G4LX62_SCHMA Loading...

Ribosome biogenesis regulatory protein

Involved in ribosomal large subunit assembly.

AlphaFold DB , UniProt , Accession G4LX62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 268 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
1M61.5Low85.3Confident162 Ų16267.5 Ų67.580%0.79834%0.34SS*.  0128.60-81.2-174-17900107.2Q6M1-Q6 HydrophobicContact CB-CG 4.48Å
2S76.6Confident86Confident42 Ų4264.2 Ų64.229%0.29432%0.324SS..  trans-62.8147.3173.9177.90000109.5R4 S5 Q6S2-R4 PolarHBondContact O-N 3.48Å; S2-R4 VanDerWaalsContact O-N 3.14Å; S2-S5 PolarHBondContact N-OG 3.16Å; S2-S5 VanDerWaalsContact N-OG 3.16Å; S2-S5 PolarHBondContact O-N 2.62Å; S2-S5 PolarHBondContact O-OG 3.12Å; S2-Q6 PolarHBondContact O-N 3.37Å
3Y84.4Confident86.6Confident108 Ų10860.6 Ų60.642%0.42431%0.313SS..Hα-helixtrans-56.2-31.2176.368-88.9000111.5Q6 L7 C21Y3-Q6 PolarHBondContact O-N 3.2Å; Y3-L7 PolarHBondContact O-N 3.41Å; Y3-C21 HydrophobicContact CE2-CB 4.17Å
4R85.9Confident87.1Confident8 Ų860.9 Ų60.93%0.0332%0.316CS..Hα-helixtrans-59.2-47.3173.2-64.9-171172-98.6-5.8112.2S2 Q6 L7 A8 D19 C21 P22S2-R4 PolarHBondContact O-N 3.48Å; S2-R4 VanDerWaalsContact O-N 3.14Å; R4-Q6 PolarHBondContact O-N 3.27Å; R4-L7 PolarHBondContact O-N 2.98Å; R4-L7 VanDerWaalsContact O-N 3.12Å; R4-A8 WeakPolarHBondContact O-CB 3.45Å; R4-A8 PolarHBondContact O-N 3.4Å; R4-D19 IonicContact CZ-OD2 3.77Å; R4-D19 IonicContact NH1-OD2 3.8Å; R4-D19 PolarHBondContact NH1-OD2 3.43Å; R4-C21 HydrophobicContact CG-CB 3.93Å; R4-P22 PolarHBondContact NH2-O 3.45Å
5S84.5Confident87.6Confident19 Ų1963.5 Ų63.513%0.13333%0.329CS..Hα-helixtrans-63.8-23.7179.562.40000114S2 H48S2-S5 PolarHBondContact N-OG 3.16Å; S2-S5 VanDerWaalsContact N-OG 3.16Å; S2-S5 PolarHBondContact O-N 2.62Å; S2-S5 PolarHBondContact O-OG 3.12Å; S5-H48 PolarHBondContact O-NE2 2.82Å
6Q85.4Confident88Confident139 Ų13962.8 Ų62.865%0.6533%0.326SS*.Hα-helixtrans-80.1-29176.4-67177.8-18.500112.7M1 S2 Y3 R4M1-Q6 HydrophobicContact CB-CG 4.48Å; S2-Q6 PolarHBondContact O-N 3.37Å; Y3-Q6 PolarHBondContact O-N 3.2Å; R4-Q6 PolarHBondContact O-N 3.27Å
7L88.5Confident88.4Confident102 Ų10261.9 Ų61.953%0.53432%0.321SS..Hα-helixtrans-94.6-8.6179.9-68.6171.7000112.9Y3 R4 C21Y3-L7 PolarHBondContact O-N 3.41Å; R4-L7 PolarHBondContact O-N 2.98Å; R4-L7 VanDerWaalsContact O-N 3.12Å; L7-C21 VanDerWaalsContact CD1-SG 3.55Å
8A90.4Very high88.7Confident17 Ų1762.1 Ų62.114%0.1432%0.32CS..  trans-72.7135.1179.800000111.5R4 I17 E18R4-A8 WeakPolarHBondContact O-CB 3.45Å; R4-A8 PolarHBondContact O-N 3.4Å; A8-I17 HydrophobicContact CB-CD1 4.22Å; A8-I17 HydrophobicContact CB-CG1 4.19Å; A8-E18 CarbonylContact C-O 3.56Å; A8-E18 VanDerWaalsContact CA-O 3.24Å; A8-E18 WeakPolarHBondContact CA-O 3.28Å
9E93Very high88.9Confident101 Ų10161.2 Ų61.247%0.47232%0.316SS..EExtended strand (participates in β ladder)trans-96.7128.7169.3-75.3-178.1179.700109.5E18 K20E9-E18 HydrophobicContact CB-CB 4.33Å; E9-E18 PolarHBondContact N-O 3.3Å; E9-E18 PolarHBondContact O-N 2.97Å; E9-K20 IonicContact OE1-NZ 2.84Å; E9-K20 PolarHBondContact OE1-NZ 3.14Å; E9-K20 WeakPolarHBondContact OE2-CE 3.27Å; E9-K20 IonicContact OE2-NZ 4Å; E9-K20 PolarHBondContact OE2-NZ 2.76Å
10V93.5Very high88.9Confident41 Ų4164.1 Ų64.125%0.24833%0.326CS..EExtended strand (participates in β ladder)trans-115.4120.6-175-174.60000109.7L12 I17 F49 L52V10-L12 HydrophobicContact CG1-CD2 3.62Å; V10-L12 HydrophobicContact CG1-CG 3.96Å; V10-I17 HydrophobicContact CG2-CD1 4.08Å; V10-I17 HydrophobicContact CG2-CG1 4.07Å; V10-F49 HydrophobicContact CG1-CD2 4.1Å; V10-L52 HydrophobicContact CB-CD1 4.11Å; V10-L52 HydrophobicContact CG1-CD1 4.05Å; V10-L52 HydrophobicContact CG2-CD1 3.83Å
11D94.6Very high88.9Confident4 Ų461.6 Ų61.62%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-109.289.1170.5-1755.4000109.6G13 N14 L15 L16 P72 T73 F74D11-G13 PolarHBondContact O-N 3.32Å; D11-G13 PolarHBondContact OD1-N 3.46Å; D11-G13 VanDerWaalsContact OD1-N 3.17Å; D11-N14 PolarHBondContact O-N 3.07Å; D11-N14 PolarHBondContact OD2-ND2 3.36Å; D11-L15 PolarHBondContact O-N 2.98Å; D11-L16 HydrophobicContact CB-CB 4.32Å; D11-L16 HydrophobicContact CB-CD2 4.08Å; D11-L16 PolarHBondContact N-O 3.46Å; D11-L16 PolarHBondContact O-N 2.64Å; D11-P72 WeakPolarHBondContact OD1-CA 3.43Å; D11-T73 VanDerWaalsContact CB-OG1 3.31Å; D11-T73 WeakPolarHBondContact CB-OG1 3.36Å; D11-T73 PolarHBondContact OD1-N 2.88Å; D11-T73 PolarHBondContact OD1-OG1 2.94Å; D11-T73 PolarHBondContact OD2-N 3.33Å; D11-T73 PolarHBondContact OD2-OG1 3.28Å; D11-F74 VanDerWaalsContact OD2-CB 3.26Å; D11-F74 WeakPolarHBondContact OD2-CB 3.46Å; D11-F74 PolarHBondContact OD2-N 3.24Å
12L94.2Very high90Very high27 Ų2757.5 Ų57.514%0.14130%0.3CS..THydrogen-bonded Turntrans-63.3-23.9178.9-62.3175.9000112.7V10 L15 F49 L52 L56 P70V10-L12 HydrophobicContact CG1-CD2 3.62Å; V10-L12 HydrophobicContact CG1-CG 3.96Å; L12-L15 PolarHBondContact O-N 3.44Å; L12-F49 HydrophobicContact CD2-CD2 4.2Å; L12-F49 HydrophobicContact CD2-CE2 3.86Å; L12-F49 HydrophobicContact CD2-CZ 4.48Å; L12-L52 HydrophobicContact CD1-CB 4.4Å; L12-L52 HydrophobicContact CD2-CB 4.2Å; L12-L56 HydrophobicContact CB-CD1 4.46Å; L12-L56 HydrophobicContact CD1-CD1 4.15Å; L12-L56 HydrophobicContact CD1-CD2 3.88Å; L12-L56 HydrophobicContact CD1-CG 4.17Å; L12-P70 HydrophobicContact CB-CG 3.7Å
13G93.1Very high90.3Very high18 Ų1859.8 Ų59.819%0.18631%0.308CS..THydrogen-bonded Turntrans-72.1-31.4179.700000113.1D11 P70D11-G13 PolarHBondContact O-N 3.32Å; D11-G13 PolarHBondContact OD1-N 3.46Å; D11-G13 VanDerWaalsContact OD1-N 3.17Å; G13-P70 WeakPolarHBondContact CA-O 3.46Å
14N94Very high89.6Confident65 Ų6558.9 Ų58.935%0.34831%0.311SS..THydrogen-bonded Turntrans-102.26.5174.2-71.4-40.1000113.1D11 L16 P72D11-N14 PolarHBondContact O-N 3.07Å; D11-N14 PolarHBondContact OD2-ND2 3.36Å; N14-L16 VanDerWaalsContact C-N 3.26Å; N14-L16 HydrophobicContact CB-CB 4.22Å; N14-L16 PolarHBondContact O-N 3.49Å; N14-P72 VanDerWaalsContact ND2-CB 3.33Å; N14-P72 WeakPolarHBondContact ND2-CB 3.33Å; N14-P72 WeakPolarHBondContact OD1-CB 3.26Å
15L94.4Very high88.4Confident99 Ų9963.8 Ų63.852%0.51833%0.334SS..THydrogen-bonded Turntrans52.244.6-174.2-52.5174.9000112.2D11 L12 F49 F53 L69D11-L15 PolarHBondContact O-N 2.98Å; L12-L15 PolarHBondContact O-N 3.44Å; L15-F49 HydrophobicContact CB-CE2 4.43Å; L15-F49 HydrophobicContact CB-CZ 3.87Å; L15-F49 HydrophobicContact CD2-CZ 3.8Å; L15-F49 HydrophobicContact CG-CZ 4.45Å; L15-F53 HydrophobicContact CD2-CD2 4.04Å; L15-F53 HydrophobicContact CD2-CE2 3.7Å; L15-L69 HydrophobicContact CD2-CD1 4.26Å; L15-L69 HydrophobicContact CD2-CD2 4.17Å
16L94.7Very high87Confident53 Ų5372.1 Ų72.128%0.27737%0.368SS..EExtended strand (participates in β ladder)trans-120.9138.4-170.1173.5150.3000110.8D11 N14 E18D11-L16 HydrophobicContact CB-CB 4.32Å; D11-L16 HydrophobicContact CB-CD2 4.08Å; D11-L16 PolarHBondContact N-O 3.46Å; D11-L16 PolarHBondContact O-N 2.64Å; N14-L16 VanDerWaalsContact C-N 3.26Å; N14-L16 HydrophobicContact CB-CB 4.22Å; N14-L16 PolarHBondContact O-N 3.49Å; L16-E18 HydrophobicContact CD2-CG 3.73Å
17I94.2Very high85.5Confident47 Ų4770.9 Ų70.924%0.24137%0.366CS..EExtended strand (participates in β ladder)trans-127.1125.2171.3-173.5165000109A8 V10 C45 H48 F49A8-I17 HydrophobicContact CB-CD1 4.22Å; A8-I17 HydrophobicContact CB-CG1 4.19Å; V10-I17 HydrophobicContact CG2-CD1 4.08Å; V10-I17 HydrophobicContact CG2-CG1 4.07Å; I17-C45 HydrophobicContact CD1-CB 4.11Å; I17-C45 VanDerWaalsContact CD1-O 3.3Å; I17-C45 WeakPolarHBondContact CD1-O 3.46Å; I17-C45 HydrophobicContact CG2-CB 4.28Å; I17-H48 HydrophobicContact CD1-CB 4.46Å; I17-F49 HydrophobicContact CB-CD2 4.49Å; I17-F49 HydrophobicContact CD1-CB 4.3Å
18E93.5Very high84Confident65 Ų6575.6 Ų75.630%0.30439%0.385SS..EExtended strand (participates in β ladder)trans-104.8106.8175.9-81.3176.8-163.200109.3A8 E9 L16A8-E18 CarbonylContact C-O 3.56Å; A8-E18 VanDerWaalsContact CA-O 3.24Å; A8-E18 WeakPolarHBondContact CA-O 3.28Å; E9-E18 HydrophobicContact CB-CB 4.33Å; E9-E18 PolarHBondContact N-O 3.3Å; E9-E18 PolarHBondContact O-N 2.97Å; L16-E18 HydrophobicContact CD2-CG 3.73Å
19D91.9Very high82.3Confident46 Ų4679 Ų7925%0.24641%0.414CS..  trans-82116169.3-175.78000109.8R4 C21R4-D19 IonicContact CZ-OD2 3.77Å; R4-D19 IonicContact NH1-OD2 3.8Å; R4-D19 PolarHBondContact NH1-OD2 3.43Å; D19-C21 VanDerWaalsContact OD1-CB 3.27Å; D19-C21 WeakPolarHBondContact OD1-CB 3.3Å; D19-C21 PolarHBondContact OD1-N 3Å
20K90.5Very high80.6Confident118 Ų11878.1 Ų78.151%0.51342%0.415SS..  trans-89.7-2.6178.7-64.2-172.3176.5-1740113.4E9E9-K20 IonicContact OE1-NZ 2.84Å; E9-K20 PolarHBondContact OE1-NZ 3.14Å; E9-K20 WeakPolarHBondContact OE2-CE 3.27Å; E9-K20 IonicContact OE2-NZ 4Å; E9-K20 PolarHBondContact OE2-NZ 2.76Å
21C88.1Confident78.9Confident12 Ų1282.4 Ų82.48%0.08145%0.447CS..SBendtrans-74.4148.5-179.7-710000112.4Y3 R4 L7 D19 L23Y3-C21 HydrophobicContact CE2-CB 4.17Å; R4-C21 HydrophobicContact CG-CB 3.93Å; L7-C21 VanDerWaalsContact CD1-SG 3.55Å; D19-C21 VanDerWaalsContact OD1-CB 3.27Å; D19-C21 WeakPolarHBondContact OD1-CB 3.3Å; D19-C21 PolarHBondContact OD1-N 3Å; C21-L23 PolarHBondContact O-N 3.49Å
22P85.4Confident77.5Confident76 Ų7686 Ų8649%0.49447%0.472SS..  trans-59.7136.917426.2-34000110.2R4 N24R4-P22 PolarHBondContact NH2-O 3.45Å; P22-N24 VanDerWaalsContact C-N 3.27Å; P22-N24 PolarHBondContact O-N 2.98Å
23L81.2Confident76.1Confident91 Ų9187.3 Ų87.348%0.47648%0.479SS..SBendtrans-64.4-36.9177.8-70.5169000111.4C21 H37 Y38C21-L23 PolarHBondContact O-N 3.49Å; L23-H37 PolarHBondContact O-NE2 3.42Å; L23-Y38 HydrophobicContact CD2-CE1 4.41Å
24N71.1Confident75.4Confident88 Ų8891.5 Ų91.547%0.47150%0.497SS..SBendtrans-94.1120179.4-57.80.4000107.9P22 L33P22-N24 VanDerWaalsContact C-N 3.27Å; P22-N24 PolarHBondContact O-N 2.98Å; N24-L33 WeakPolarHBondContact OD1-CD1 3.24Å; N24-L33 VanDerWaalsContact OD1-CD2 3.28Å; N24-L33 WeakPolarHBondContact OD1-CD2 3.28Å
25Q61.1Low74.9Confident112 Ų11294.1 Ų94.152%0.52351%0.511SS..  trans-59.6148.9155.1-68.3172.311.200106.8N27Q25-N27 PolarHBondContact O-N 3.36Å
26F54.1Low74.5Confident194 Ų19494.2 Ų94.285%0.85151%0.512SS*.SBendtrans-56.523.5-170.8-71.6-93.2000117.4E28F26-E28 PolarHBondContact O-N 2.78Å
27N53.6Low74Confident113 Ų11394 Ų9460%0.60451%0.51SS*.  trans-89.892.7169.8-71.3-8.1000109.3Q25 A29 V30Q25-N27 PolarHBondContact O-N 3.36Å; N27-A29 PolarHBondContact O-N 2.79Å; N27-V30 PolarHBondContact O-N 2.61Å
28E56.7Low73.7Confident200 Ų20096.3 Ų96.394%0.93552%0.516SS*.THydrogen-bonded Turntrans-55.3-8.1166.5-66178158.700113.3F26F26-E28 PolarHBondContact O-N 2.78Å
29A55.6Low73.6Confident90 Ų90100.8 Ų100.874%0.74453%0.53SS*.THydrogen-bonded Turntrans-87.7-6.4-174.600000115.6N27N27-A29 PolarHBondContact O-N 2.79Å
30V56.9Low73.4Confident82 Ų82102.5 Ų102.550%0.49754%0.543SS..  trans-106.492.5-179-175.30000109.7N27 S32N27-V30 PolarHBondContact O-N 2.61Å; V30-S32 WeakPolarHBondContact CG1-O 3.48Å; V30-S32 PolarHBondContact O-N 2.92Å
31S58.8Low73.4Confident131 Ų13197.8 Ų97.892%0.91652%0.523SS*.SBendtrans-68.2-16.7-179.7-57.20000113.9
32S64.1Low73.5Confident79 Ų79100.1 Ų100.155%0.55254%0.539SS*.SBendtrans-130.3108.2178.453.20000109.3V30 D34V30-S32 WeakPolarHBondContact CG1-O 3.48Å; V30-S32 PolarHBondContact O-N 2.92Å; S32-D34 PolarHBondContact O-N 2.8Å
33L65.4Low73.8Confident54 Ų54101.5 Ų101.528%0.28354%0.542SS..  trans-64.3118167.6-73.2135.3000108.1N24 H37 Y38N24-L33 WeakPolarHBondContact OD1-CD1 3.24Å; N24-L33 VanDerWaalsContact OD1-CD2 3.28Å; N24-L33 WeakPolarHBondContact OD1-CD2 3.28Å; L33-H37 VanDerWaalsContact CD2-CD2 3.44Å; L33-H37 WeakPolarHBondContact CD2-CD2 3.44Å; L33-Y38 HydrophobicContact CB-CE2 3.56Å; L33-Y38 WeakPolarHBondContact CB-OH 3.22Å; L33-Y38 WeakPolarHBondContact CD1-OH 3.35Å
34D77.2Confident74.3Confident106 Ų106100.3 Ų100.357%0.56754%0.536SS*.  trans-66.9143.2177.4-64.7-29.6000110.3S32 D36 H37S32-D34 PolarHBondContact O-N 2.8Å; D34-D36 PolarHBondContact O-N 2.94Å; D34-H37 WeakPolarHBondContact O-CB 3.47Å; D34-H37 PolarHBondContact O-N 3.46Å
35D84.4Confident75.4Confident120 Ų12096.9 Ų96.964%0.64252%0.519SS*.Hα-helixtrans-52.9-31.3176.4-76.4-20000112H37 Y38 R39D35-H37 VanDerWaalsContact C-N 3.32Å; D35-H37 PolarHBondContact O-N 3.44Å; D35-Y38 PolarHBondContact O-N 3.22Å; D35-R39 VanDerWaalsContact O-CG 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.28Å; D35-R39 PolarHBondContact O-N 3.31Å
36D86.1Confident77Confident102 Ų10294.8 Ų94.855%0.54551%0.514SS..Hα-helixtrans-67.7-28.9178.3-70.1-23.8000113.2D34 R39 T40D34-D36 PolarHBondContact O-N 2.94Å; D36-R39 PolarHBondContact O-N 2.71Å; D36-R39 IonicContact OD1-NH1 3.24Å; D36-R39 PolarHBondContact OD1-NH1 2.83Å; D36-T40 WeakPolarHBondContact O-CB 3.47Å; D36-T40 PolarHBondContact O-N 3.49Å; D36-T40 PolarHBondContact O-OG1 3.43Å
37H84.9Confident78.8Confident48 Ų4893.5 Ų93.522%0.22250%0.504CS..Hα-helixtrans-68.1-45.3173.9179.770.6000111.2L23 L33 D34 D35 R39 T40 I41L23-H37 PolarHBondContact O-NE2 3.42Å; L33-H37 VanDerWaalsContact CD2-CD2 3.44Å; L33-H37 WeakPolarHBondContact CD2-CD2 3.44Å; D34-H37 WeakPolarHBondContact O-CB 3.47Å; D34-H37 PolarHBondContact O-N 3.46Å; D35-H37 VanDerWaalsContact C-N 3.32Å; D35-H37 PolarHBondContact O-N 3.44Å; H37-R39 VanDerWaalsContact C-N 3.33Å; H37-R39 PolarHBondContact O-N 2.92Å; H37-T40 PolarHBondContact O-N 3.37Å; H37-I41 VanDerWaalsContact NE2-CD1 3.28Å; H37-I41 WeakPolarHBondContact NE2-CD1 3.12Å; H37-I41 WeakPolarHBondContact O-CG1 3.13Å; H37-I41 PolarHBondContact O-N 3.36Å
38Y87Confident80.7Confident96 Ų9689.3 Ų89.338%0.37648%0.481SS..Hα-helixtrans-64.4-37.4174.8-65.2-66.3000112.4L23 L33 D35 T40 I41 S42L23-Y38 HydrophobicContact CD2-CE1 4.41Å; L33-Y38 HydrophobicContact CB-CE2 3.56Å; L33-Y38 WeakPolarHBondContact CB-OH 3.22Å; L33-Y38 WeakPolarHBondContact CD1-OH 3.35Å; D35-Y38 PolarHBondContact O-N 3.22Å; Y38-T40 VanDerWaalsContact C-N 3.33Å; Y38-I41 PolarHBondContact O-N 3.13Å; Y38-S42 VanDerWaalsContact O-CB 3.32Å; Y38-S42 WeakPolarHBondContact O-CB 3.49Å; Y38-S42 PolarHBondContact O-N 3.41Å; Y38-S42 PolarHBondContact O-OG 2.9Å
39R90.7Very high82.6Confident159 Ų15980.8 Ų80.860%0.644%0.441SS*.Hα-helixtrans-60.9-42.8172-74.6171.9175.8179.2-2.2111.7D35 D36 H37 S42 L43D35-R39 VanDerWaalsContact O-CG 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.28Å; D35-R39 PolarHBondContact O-N 3.31Å; D36-R39 PolarHBondContact O-N 2.71Å; D36-R39 IonicContact OD1-NH1 3.24Å; D36-R39 PolarHBondContact OD1-NH1 2.83Å; H37-R39 VanDerWaalsContact C-N 3.33Å; H37-R39 PolarHBondContact O-N 2.92Å; R39-S42 WeakPolarHBondContact CA-OG 3.49Å; R39-S42 PolarHBondContact O-N 3.39Å; R39-S42 PolarHBondContact O-OG 3.3Å; R39-L43 VanDerWaalsContact O-CB 3.24Å; R39-L43 WeakPolarHBondContact O-CB 3.34Å; R39-L43 PolarHBondContact O-N 2.86Å
40T89.1Confident84.4Confident82 Ų8281.2 Ų81.250%0.50343%0.426SS..Hα-helixtrans-65.2-46.1178.9-55.60000111.3D36 H37 Y38 L43 D44D36-T40 WeakPolarHBondContact O-CB 3.47Å; D36-T40 PolarHBondContact O-N 3.49Å; D36-T40 PolarHBondContact O-OG1 3.43Å; H37-T40 PolarHBondContact O-N 3.37Å; Y38-T40 VanDerWaalsContact C-N 3.33Å; T40-L43 PolarHBondContact O-N 3.2Å; T40-D44 PolarHBondContact O-N 3.29Å
41I89.2Confident86.2Confident18 Ų1881.7 Ų81.79%0.09242%0.422CS..Hα-helixtrans-62.7-46.8176.5-66.5170.1000111.1H37 Y38 L43 D44 C45H37-I41 VanDerWaalsContact NE2-CD1 3.28Å; H37-I41 WeakPolarHBondContact NE2-CD1 3.12Å; H37-I41 WeakPolarHBondContact O-CG1 3.13Å; H37-I41 PolarHBondContact O-N 3.36Å; Y38-I41 PolarHBondContact O-N 3.13Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.38Å; I41-D44 PolarHBondContact O-N 3Å; I41-C45 PolarHBondContact O-N 3.39Å; I41-C45 PolarHBondContact O-SG 3.45Å; I41-C45 VanDerWaalsContact O-SG 3.36Å
42S90.8Very high87.9Confident61 Ų6177.9 Ų77.943%0.42739%0.39SS..Hα-helixtrans-64.1-36.2179.155.60000112.3Y38 R39 C45 T46Y38-S42 VanDerWaalsContact O-CB 3.32Å; Y38-S42 WeakPolarHBondContact O-CB 3.49Å; Y38-S42 PolarHBondContact O-N 3.41Å; Y38-S42 PolarHBondContact O-OG 2.9Å; R39-S42 WeakPolarHBondContact CA-OG 3.49Å; R39-S42 PolarHBondContact O-N 3.39Å; R39-S42 PolarHBondContact O-OG 3.3Å; S42-C45 PolarHBondContact O-N 3.46Å; S42-T46 WeakPolarHBondContact O-CB 3.21Å; S42-T46 WeakPolarHBondContact O-CG2 3.09Å; S42-T46 PolarHBondContact O-N 2.87Å; S42-T46 PolarHBondContact O-OG1 3.49Å
43L92.8Very high89.3Confident106 Ų10676 Ų7656%0.55537%0.372SS*.Hα-helixtrans-62.5-49.4173.3-167.7165.6000110.9R39 T40 I41 C45 T46 Y47R39-L43 VanDerWaalsContact O-CB 3.24Å; R39-L43 WeakPolarHBondContact O-CB 3.34Å; R39-L43 PolarHBondContact O-N 2.86Å; T40-L43 PolarHBondContact O-N 3.2Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.38Å; L43-C45 VanDerWaalsContact C-N 3.33Å; L43-C45 PolarHBondContact O-N 3.47Å; L43-T46 WeakPolarHBondContact CA-OG1 3.4Å; L43-T46 PolarHBondContact O-N 3.2Å; L43-T46 PolarHBondContact O-OG1 3.31Å; L43-Y47 VanDerWaalsContact O-CB 3.28Å; L43-Y47 WeakPolarHBondContact O-CB 3.23Å; L43-Y47 PolarHBondContact O-N 2.9Å
44D91.6Very high90.7Very high65 Ų6580.6 Ų80.635%0.34839%0.391SS..Hα-helixtrans-57.4-45.1177.3-82.7-1.1000112.1T40 I41 H48T40-D44 PolarHBondContact O-N 3.29Å; I41-D44 PolarHBondContact O-N 3Å; D44-H48 WeakPolarHBondContact O-CB 3.4Å; D44-H48 PolarHBondContact O-N 2.86Å; D44-H48 VanDerWaalsContact O-N 3.07Å
45C92.9Very high91.5Very high16 Ų1681.7 Ų81.711%0.10839%0.392CS..Hα-helixtrans-66.5-46.1178.5-70.20000112.2I17 I41 S42 L43 H48 F49I17-C45 HydrophobicContact CD1-CB 4.11Å; I17-C45 VanDerWaalsContact CD1-O 3.3Å; I17-C45 WeakPolarHBondContact CD1-O 3.46Å; I17-C45 HydrophobicContact CG2-CB 4.28Å; I41-C45 PolarHBondContact O-N 3.39Å; I41-C45 PolarHBondContact O-SG 3.45Å; I41-C45 VanDerWaalsContact O-SG 3.36Å; S42-C45 PolarHBondContact O-N 3.46Å; L43-C45 VanDerWaalsContact C-N 3.33Å; L43-C45 PolarHBondContact O-N 3.47Å; C45-H48 PolarHBondContact O-N 2.95Å; C45-F49 WeakPolarHBondContact O-CB 3.36Å; C45-F49 PolarHBondContact O-N 3.38Å
46T94.1Very high91.9Very high68 Ų6877.3 Ų77.342%0.41737%0.368SS..Hα-helixtrans-65.6-39.6178.952.10000112S42 L43 F49 F50S42-T46 WeakPolarHBondContact O-CB 3.21Å; S42-T46 WeakPolarHBondContact O-CG2 3.09Å; S42-T46 PolarHBondContact O-N 2.87Å; S42-T46 PolarHBondContact O-OG1 3.49Å; L43-T46 WeakPolarHBondContact CA-OG1 3.4Å; L43-T46 PolarHBondContact O-N 3.2Å; L43-T46 PolarHBondContact O-OG1 3.31Å; T46-F49 PolarHBondContact O-N 3.34Å; T46-F50 VanDerWaalsContact O-CD2 3.23Å; T46-F50 WeakPolarHBondContact O-CD2 3.38Å; T46-F50 PolarHBondContact O-N 3.21Å
47Y93.7Very high92.3Very high168 Ų16876.3 Ų76.366%0.65937%0.368SS*.Hα-helixtrans-60.3-46.7174.1179.5-96.6000111.4L43 F49 F50 K51L43-Y47 VanDerWaalsContact O-CB 3.28Å; L43-Y47 WeakPolarHBondContact O-CB 3.23Å; L43-Y47 PolarHBondContact O-N 2.9Å; Y47-F49 PolarHBondContact O-N 3.46Å; Y47-F50 PolarHBondContact O-N 3.01Å; Y47-K51 WeakPolarHBondContact O-CB 3.43Å; Y47-K51 PolarHBondContact O-N 3.17Å
48H93.6Very high92.7Very high25 Ų2577.8 Ų77.812%0.11638%0.38CS..Hα-helixtrans-61.8-43.1176.3-175.956000112.3S5 I17 D44 C45 K51 L52S5-H48 PolarHBondContact O-NE2 2.82Å; I17-H48 HydrophobicContact CD1-CB 4.46Å; D44-H48 WeakPolarHBondContact O-CB 3.4Å; D44-H48 PolarHBondContact O-N 2.86Å; D44-H48 VanDerWaalsContact O-N 3.07Å; C45-H48 PolarHBondContact O-N 2.95Å; H48-K51 PolarHBondContact O-N 3.28Å; H48-L52 PolarHBondContact O-N 2.88Å
49F95Very high93Very high21 Ų2178 Ų789%0.09239%0.385CS..Hα-helixtrans-59.9-51.3176174.7-94.3000112.1V10 L12 L15 I17 C45 T46 Y47 K51 L52 F53V10-F49 HydrophobicContact CG1-CD2 4.1Å; L12-F49 HydrophobicContact CD2-CD2 4.2Å; L12-F49 HydrophobicContact CD2-CE2 3.86Å; L12-F49 HydrophobicContact CD2-CZ 4.48Å; L15-F49 HydrophobicContact CB-CE2 4.43Å; L15-F49 HydrophobicContact CB-CZ 3.87Å; L15-F49 HydrophobicContact CD2-CZ 3.8Å; L15-F49 HydrophobicContact CG-CZ 4.45Å; I17-F49 HydrophobicContact CB-CD2 4.49Å; I17-F49 HydrophobicContact CD1-CB 4.3Å; C45-F49 WeakPolarHBondContact O-CB 3.36Å; C45-F49 PolarHBondContact O-N 3.38Å; T46-F49 PolarHBondContact O-N 3.34Å; Y47-F49 PolarHBondContact O-N 3.46Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 2.82Å; F49-L52 PolarHBondContact O-N 2.88Å; F49-F53 HydrophobicContact CE1-CB 4.31Å; F49-F53 HydrophobicContact CE1-CD2 4.33Å; F49-F53 HydrophobicContact CE1-CG 4.48Å; F49-F53 HydrophobicContact CZ-CD2 4.23Å; F49-F53 WeakPolarHBondContact O-CB 3.31Å; F49-F53 PolarHBondContact O-N 2.96Å
50F95Very high93.1Very high98 Ų9876.5 Ų76.543%0.4339%0.388SS..Hα-helixtrans-65.9-33.6-178.9-82.2-62.3000112.7T46 Y47 L52 F53 F54T46-F50 VanDerWaalsContact O-CD2 3.23Å; T46-F50 WeakPolarHBondContact O-CD2 3.38Å; T46-F50 PolarHBondContact O-N 3.21Å; Y47-F50 PolarHBondContact O-N 3.01Å; F50-L52 VanDerWaalsContact C-N 3.34Å; F50-L52 PolarHBondContact O-N 2.86Å; F50-F53 HydrophobicContact CD1-CD1 4.44Å; F50-F53 PolarHBondContact O-N 2.8Å; F50-F54 HydrophobicContact CB-CD2 4.16Å; F50-F54 HydrophobicContact CB-CE2 3.95Å; F50-F54 AromaticContact CD1-CE2 3.83Å; F50-F54 HydrophobicContact CD1-CE2 3.83Å; F50-F54 HydrophobicContact CD1-CZ 4.06Å; F50-F54 HydrophobicContact CG-CE2 4.2Å; F50-F54 WeakPolarHBondContact O-CB 3.2Å; F50-F54 WeakPolarHBondContact O-CD2 3.24Å; F50-F54 WeakPolarHBondContact O-CG 3.32Å; F50-F54 PolarHBondContact O-N 3.19Å
51K94.3Very high93Very high93 Ų9376.6 Ų76.640%0.40439%0.385SS..Hα-helixtrans-55.5-50.7172.2-177.8-176.9174.9-175.80111Y47 H48 F49 E55Y47-K51 WeakPolarHBondContact O-CB 3.43Å; Y47-K51 PolarHBondContact O-N 3.17Å; H48-K51 PolarHBondContact O-N 3.28Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 2.82Å; K51-E55 WeakPolarHBondContact O-CG 3.33Å; K51-E55 PolarHBondContact O-N 2.93Å
52L93.7Very high92.8Very high50 Ų5083.3 Ų83.326%0.26242%0.421SS..Hα-helixtrans-70.4-34.5178.7-65.6174.1000112.5V10 L12 H48 F49 F50 E55V10-L52 HydrophobicContact CB-CD1 4.11Å; V10-L52 HydrophobicContact CG1-CD1 4.05Å; V10-L52 HydrophobicContact CG2-CD1 3.83Å; L12-L52 HydrophobicContact CD1-CB 4.4Å; L12-L52 HydrophobicContact CD2-CB 4.2Å; H48-L52 PolarHBondContact O-N 2.88Å; F49-L52 PolarHBondContact O-N 2.88Å; F50-L52 VanDerWaalsContact C-N 3.34Å; F50-L52 PolarHBondContact O-N 2.86Å; L52-E55 PolarHBondContact O-N 3.46Å
53F94.6Very high92.6Very high39 Ų3986 Ų8617%0.17144%0.44CS..Hα-helixtrans-64.8-43.5178-178.4-91.7000112.2L15 F49 F50 E55 L56 L69L15-F53 HydrophobicContact CD2-CD2 4.04Å; L15-F53 HydrophobicContact CD2-CE2 3.7Å; F49-F53 HydrophobicContact CE1-CB 4.31Å; F49-F53 HydrophobicContact CE1-CD2 4.33Å; F49-F53 HydrophobicContact CE1-CG 4.48Å; F49-F53 HydrophobicContact CZ-CD2 4.23Å; F49-F53 WeakPolarHBondContact O-CB 3.31Å; F49-F53 PolarHBondContact O-N 2.96Å; F50-F53 HydrophobicContact CD1-CD1 4.44Å; F50-F53 PolarHBondContact O-N 2.8Å; F53-E55 VanDerWaalsContact C-N 3.26Å; F53-E55 PolarHBondContact O-N 3.24Å; F53-L56 HydrophobicContact CD2-CD1 4.16Å; F53-L56 WeakPolarHBondContact O-CB 3.31Å; F53-L56 WeakPolarHBondContact O-CG 3.16Å; F53-L56 PolarHBondContact O-N 3.48Å; F53-L56 VanDerWaalsContact O-N 3.13Å; F53-L69 HydrophobicContact CD2-CD2 4.35Å; F53-L69 HydrophobicContact CE2-CD2 3.69Å
54F93.5Very high92.5Very high152 Ų15285 Ų8567%0.66744%0.439SS*.Hα-helixtrans-76.1-12.5179-68.6-52.8000113.8F50F50-F54 HydrophobicContact CB-CD2 4.16Å; F50-F54 HydrophobicContact CB-CE2 3.95Å; F50-F54 AromaticContact CD1-CE2 3.83Å; F50-F54 HydrophobicContact CD1-CE2 3.83Å; F50-F54 HydrophobicContact CD1-CZ 4.06Å; F50-F54 HydrophobicContact CG-CE2 4.2Å; F50-F54 WeakPolarHBondContact O-CB 3.2Å; F50-F54 WeakPolarHBondContact O-CD2 3.24Å; F50-F54 WeakPolarHBondContact O-CG 3.32Å; F50-F54 PolarHBondContact O-N 3.19Å
55E94.1Very high92.5Very high129 Ų12986 Ų8660%0.60345%0.45SS*.THydrogen-bonded Turntrans-75.3-11.9167.6-72.7170.1-170.500112.3K51 L52 F53K51-E55 WeakPolarHBondContact O-CG 3.33Å; K51-E55 PolarHBondContact O-N 2.93Å; L52-E55 PolarHBondContact O-N 3.46Å; F53-E55 VanDerWaalsContact C-N 3.26Å; F53-E55 PolarHBondContact O-N 3.24Å
56L94Very high92.5Very high27 Ų2788.5 Ų88.514%0.14147%0.465CS..SBendtrans-69.8146.8179-66.4174.7000112.6L12 F53 T58 L69L12-L56 HydrophobicContact CB-CD1 4.46Å; L12-L56 HydrophobicContact CD1-CD1 4.15Å; L12-L56 HydrophobicContact CD1-CD2 3.88Å; L12-L56 HydrophobicContact CD1-CG 4.17Å; F53-L56 HydrophobicContact CD2-CD1 4.16Å; F53-L56 WeakPolarHBondContact O-CB 3.31Å; F53-L56 WeakPolarHBondContact O-CG 3.16Å; F53-L56 PolarHBondContact O-N 3.48Å; F53-L56 VanDerWaalsContact O-N 3.13Å; L56-T58 PolarHBondContact O-N 2.92Å; L56-T58 PolarHBondContact O-OG1 3.38Å; L56-L69 HydrophobicContact CD1-CD2 3.92Å
57P94.5Very high92.4Very high82 Ų8286.7 Ų86.753%0.53246%0.455SS..  trans-61.2132.3175.524.4-31.2000110.6I68P57-I68 HydrophobicContact CB-CD1 4.24Å; P57-I68 HydrophobicContact CG-CB 4.2Å; P57-I68 HydrophobicContact CG-CD1 4.2Å; P57-I68 PolarHBondContact O-N 3.27Å
58T92.4Very high92.5Very high78 Ų7882.2 Ų82.248%0.47944%0.442SS..EExtended strand (participates in β ladder)trans-114.8128-178.8-59.80000109.5L56 V66L56-T58 PolarHBondContact O-N 2.92Å; L56-T58 PolarHBondContact O-OG1 3.38Å; T58-V66 WeakPolarHBondContact CA-O 3.27Å
59E93Very high92.5Very high102 Ų10284.6 Ų84.648%0.47746%0.455SS..EExtended strand (participates in β ladder)trans-103.3144.1174.5-70.3-179.6171.500109.9V66 I68E59-V66 PolarHBondContact N-O 2.98Å; E59-V66 PolarHBondContact O-N 3.48Å; E59-I68 HydrophobicContact CG-CD1 3.78Å; E59-I68 HydrophobicContact CG-CG1 4.03Å; E59-I68 VanDerWaalsContact OE1-CD1 3.27Å; E59-I68 WeakPolarHBondContact OE1-CD1 3.33Å
60L93Very high92.5Very high126 Ų12686.4 Ų86.466%0.6647%0.469SS*.EExtended strand (participates in β ladder)trans-103.9104.7177.4-156.3163.5000108.2
61N87.8Confident92.5Very high84 Ų8490.8 Ų90.845%0.44949%0.488SS..EExtended strand (participates in β ladder)trans-116.3123.1-178.4-69.1-30.8000108.9S63 V64N61-S63 VanDerWaalsContact C-N 3.32Å; N61-S63 PolarHBondContact O-N 3.06Å; N61-V64 PolarHBondContact N-O 3.36Å; N61-V64 WeakPolarHBondContact O-CA 3.47Å; N61-V64 PolarHBondContact O-N 3.17Å; N61-V64 VanDerWaalsContact O-O 3.07Å
62D84.8Confident92.5Very high159 Ų15990 Ų9085%0.8549%0.492SS*.THydrogen-bonded Turntrans46.449.2176.6-63.1-20.7000114.2V64D62-V64 PolarHBondContact O-N 3.27Å
63S86.9Confident92.5Very high117 Ų11792.4 Ų92.482%0.81851%0.509SS*.THydrogen-bonded Turntrans67.44.1-176.2710000116.8N61N61-S63 VanDerWaalsContact C-N 3.32Å; N61-S63 PolarHBondContact O-N 3.06Å
64V91.2Very high92.4Very high87 Ų8795.2 Ų95.253%0.52752%0.521SS..EExtended strand (participates in β ladder)trans-107.6129.6176-175.10000109.9N61 D62 V66N61-V64 PolarHBondContact N-O 3.36Å; N61-V64 WeakPolarHBondContact O-CA 3.47Å; N61-V64 PolarHBondContact O-N 3.17Å; N61-V64 VanDerWaalsContact O-O 3.07Å; D62-V64 PolarHBondContact O-N 3.27Å; V64-V66 HydrophobicContact CG1-CG2 4.15Å
65S90.8Very high92.3Very high84 Ų8499.3 Ų99.359%0.58753%0.532SS*.EExtended strand (participates in β ladder)trans-82120.8172-63.20000109.5
66V93.1Very high92.2Very high70 Ų7098.8 Ų98.842%0.42453%0.533SS..EExtended strand (participates in β ladder)trans-120.8121.7-177.7-1770000109T58 E59 V64T58-V66 WeakPolarHBondContact CA-O 3.27Å; E59-V66 PolarHBondContact N-O 2.98Å; E59-V66 PolarHBondContact O-N 3.48Å; V64-V66 HydrophobicContact CG1-CG2 4.15Å
67S92.4Very high92.3Very high30 Ų30103.2 Ų103.221%0.2156%0.563CS.*EExtended strand (participates in β ladder)trans-78.3132174.2-53.90000110.8L69S67-L69 PolarHBondContact O-N 3.16Å
68I94.3Very high92.4Very high73 Ų73106.8 Ų106.837%0.37457%0.566SS.*  trans-80.2110.2176.7-48.9173.8000108.6P57 E59P57-I68 HydrophobicContact CB-CD1 4.24Å; P57-I68 HydrophobicContact CG-CB 4.2Å; P57-I68 HydrophobicContact CG-CD1 4.2Å; P57-I68 PolarHBondContact O-N 3.27Å; E59-I68 HydrophobicContact CG-CD1 3.78Å; E59-I68 HydrophobicContact CG-CG1 4.03Å; E59-I68 VanDerWaalsContact OE1-CD1 3.27Å; E59-I68 WeakPolarHBondContact OE1-CD1 3.33Å
69L94.6Very high92.5Very high76 Ų76111.2 Ų111.240%0.39858%0.581SS.*PPolyproline II helixtrans-78.9140.1178.4-58.1-178.3000111.8L15 F53 L56 S67L15-L69 HydrophobicContact CD2-CD1 4.26Å; L15-L69 HydrophobicContact CD2-CD2 4.17Å; F53-L69 HydrophobicContact CD2-CD2 4.35Å; F53-L69 HydrophobicContact CE2-CD2 3.69Å; L56-L69 HydrophobicContact CD1-CD2 3.92Å; S67-L69 PolarHBondContact O-N 3.16Å
70P94.9Very high92.6Very high59 Ų59113.1 Ų113.138%0.38359%0.588SS.*PPolyproline II helixtrans-69.2167.3171.730.4-34.2000111.3L12 G13L12-P70 HydrophobicContact CB-CG 3.7Å; G13-P70 WeakPolarHBondContact CA-O 3.46Å
71K95Very high92.6Very high190 Ų190115.8 Ų115.883%0.82659%0.594SS**PPolyproline II helixtrans-63.5135.4174-68177.9-177.7171.30109.6T73K71-T73 PolarHBondContact O-N 3.42Å
72P94.7Very high92.8Very high75 Ų75117.5 Ų117.549%0.48760%0.602SS.*PPolyproline II helixtrans-60.6134.7-179.423.8-33.4000111.5D11 N14D11-P72 WeakPolarHBondContact OD1-CA 3.43Å; N14-P72 VanDerWaalsContact ND2-CB 3.33Å; N14-P72 WeakPolarHBondContact ND2-CB 3.33Å; N14-P72 WeakPolarHBondContact OD1-CB 3.26Å
73T93.2Very high93.1Very high101 Ų101115.1 Ų115.162%0.6260%0.596SS**  trans-87.1-33.3179.5580000111.8D11 K71 R75D11-T73 VanDerWaalsContact CB-OG1 3.31Å; D11-T73 WeakPolarHBondContact CB-OG1 3.36Å; D11-T73 PolarHBondContact OD1-N 2.88Å; D11-T73 PolarHBondContact OD1-OG1 2.94Å; D11-T73 PolarHBondContact OD2-N 3.33Å; D11-T73 PolarHBondContact OD2-OG1 3.28Å; K71-T73 PolarHBondContact O-N 3.42Å; T73-R75 PolarHBondContact O-N 3.07Å
74F91.9Very high93.2Very high98 Ų98114.1 Ų114.143%0.4359%0.588SS.*SBendtrans-69.7116.7-179.8-166.3-102.6000111.4D11 L76D11-F74 VanDerWaalsContact OD2-CB 3.26Å; D11-F74 WeakPolarHBondContact OD2-CB 3.46Å; D11-F74 PolarHBondContact OD2-N 3.24Å; F74-L76 HydrophobicContact CD1-CD2 3.58Å; F74-L76 HydrophobicContact CD1-CG 3.96Å; F74-L76 HydrophobicContact CE1-CD2 3.48Å; F74-L76 VanDerWaalsContact CE1-CD2 3.48Å; F74-L76 HydrophobicContact CE1-CG 4.35Å; F74-L76 PolarHBondContact O-N 2.91Å
75R92.2Very high93.1Very high238 Ų238114.6 Ų114.690%0.89860%0.601SS**  trans-82.9100-175.5-68.3-172178.7-175.31.6111.4T73T73-R75 PolarHBondContact O-N 3.07Å
76L91.9Very high92.9Very high118 Ų118120.2 Ų120.262%0.61862%0.616SS**PPolyproline II helixtrans-82.6144172.6-64.7173.8000112.3F74F74-L76 HydrophobicContact CD1-CD2 3.58Å; F74-L76 HydrophobicContact CD1-CG 3.96Å; F74-L76 HydrophobicContact CE1-CD2 3.48Å; F74-L76 VanDerWaalsContact CE1-CD2 3.48Å; F74-L76 HydrophobicContact CE1-CG 4.35Å; F74-L76 PolarHBondContact O-N 2.91Å
77P95.9Very high92.6Very high120 Ų120121.9 Ų121.978%0.77962%0.618SS**PPolyproline II helixtrans-65.3140172.428.4-33.9000110.4
78R96Very high92.5Very high157 Ų157124.1 Ų124.159%0.59263%0.628SS**PPolyproline II helixtrans-71141.3176.4-70.5173.250.11405.2111.2K80R78-K80 VanDerWaalsContact C-N 3.34Å; R78-K80 PolarHBondContact NE-O 3.22Å; R78-K80 VanDerWaalsContact NE-O 3.1Å; R78-K80 PolarHBondContact NH2-O 2.74Å; R78-K80 PolarHBondContact O-N 3.37Å
79E95.2Very high92.4Very high171 Ų171123 Ų12380%0.79962%0.624SS**SBendtrans-59.6-43.4172.5-172.2-157.1148.900112.1
80K94.7Very high92.3Very high143 Ų143126.4 Ų126.462%0.62263%0.632SS**SBendtrans-122.1142-176.5-66.7173.2-175.9151.80110.8R78R78-K80 VanDerWaalsContact C-N 3.34Å; R78-K80 PolarHBondContact NE-O 3.22Å; R78-K80 VanDerWaalsContact NE-O 3.1Å; R78-K80 PolarHBondContact NH2-O 2.74Å; R78-K80 PolarHBondContact O-N 3.37Å
81K93.1Very high92.1Very high181 Ų181130.5 Ų130.579%0.78764%0.64SS**PPolyproline II helixtrans-51.9151.3170.667.5179.2-1781790110.9
82I92.2Very high92.1Very high120 Ų120124.2 Ų124.262%0.61562%0.615SS**PPolyproline II helixtrans-58.6133.7171.5-63.9158.4000108.3S84I82-S84 PolarHBondContact O-N 3.32Å; I82-S84 VanDerWaalsContact O-N 3.11Å
83P91.9Very high92Very high110 Ų110126.5 Ų126.571%0.71461%0.614SS**PPolyproline II helixtrans-54119.3172.3-2534000110
84S88.3Confident92.1Very high95 Ų95126 Ų12666%0.66460%0.604SS**PPolyproline II helixtrans-66.7148.6176.854.20000110.2I82 K86I82-S84 PolarHBondContact O-N 3.32Å; I82-S84 VanDerWaalsContact O-N 3.11Å; S84-K86 PolarHBondContact O-N 3.3Å
85A89.6Confident92.2Very high97 Ų97121.7 Ų121.780%0.80259%0.586SS**PPolyproline II helixtrans-52.7134.1173.100000110.2E87A85-E87 PolarHBondContact O-N 3.41Å
86K86.7Confident92.3Very high203 Ų203119.5 Ų119.588%0.88358%0.578SS**PPolyproline II helixtrans-68.2129.7178.9-65.8179.7-178176.10108.8S84S84-K86 PolarHBondContact O-N 3.3Å
87E86.7Confident92.6Very high104 Ų104121 Ų12149%0.48659%0.585SS.*PPolyproline II helixtrans-63.1139.9171.2-64.2-176.3-178.500110.3A85 T89 T173A85-E87 PolarHBondContact O-N 3.41Å; E87-T89 PolarHBondContact O-N 3.42Å; E87-T173 HydrophobicContact CB-CG2 3.96Å; E87-T173 HydrophobicContact CG-CG2 4.46Å
88L90.6Very high92.6Very high77 Ų77122.3 Ų122.340%0.40358%0.579SS.*PPolyproline II helixtrans-62.6127.2178-66.4164.8000110D92 R93L88-D92 HydrophobicContact CB-CB 4.25Å; L88-D92 HydrophobicContact CD2-CB 3.92Å; L88-R93 HydrophobicContact CB-CG 3.65Å; L88-R93 HydrophobicContact CD1-CG 4.46Å; L88-R93 PolarHBondContact O-NE 3.17Å
89T92.2Very high92.5Very high49 Ų49117.5 Ų117.530%0.30158%0.578SS.*PPolyproline II helixtrans-64.1164.1173.171.80000110.4E87 W91 D92 R93E87-T89 PolarHBondContact O-N 3.42Å; T89-W91 PolarHBondContact O-N 3.05Å; T89-D92 WeakPolarHBondContact CB-OD2 3.49Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.48Å; T89-D92 PolarHBondContact N-OD2 3.11Å; T89-D92 PolarHBondContact O-N 3.38Å; T89-D92 VanDerWaalsContact O-N 3.11Å; T89-D92 PolarHBondContact OG1-N 3.1Å; T89-D92 VanDerWaalsContact OG1-N 3.16Å; T89-D92 PolarHBondContact OG1-OD2 2.84Å; T89-R93 WeakPolarHBondContact O-CG 3.48Å; T89-R93 PolarHBondContact O-N 2.8Å
90R90.4Very high92.5Very high149 Ų149113 Ų11356%0.56256%0.559SS**Hα-helixtrans-54-40.1176.6-164.7-178.4-178.9157.80.7112F94 N169 E187R90-F94 PolarHBondContact O-N 3.44Å; R90-F94 VanDerWaalsContact O-N 3.11Å; R90-N169 PolarHBondContact N-OD1 3.26Å; R90-E187 IonicContact NH1-OE1 2.79Å
91W92.5Very high92.4Very high144 Ų144113.3 Ų113.355%0.54556%0.562SS.*Hα-helixtrans-68.5-43.9178.3178.3-104.6000111.5T89 R93 F94 A95 I100T89-W91 PolarHBondContact O-N 3.05Å; W91-R93 VanDerWaalsContact C-N 3.31Å; W91-R93 PolarHBondContact O-N 3.1Å; W91-F94 AromaticContact CE3-CD1 3.95Å; W91-F94 HydrophobicContact CE3-CD1 3.95Å; W91-F94 HydrophobicContact CH2-CD1 4.17Å; W91-F94 HydrophobicContact CH2-CE1 4.21Å; W91-F94 AromaticContact CZ3-CD1 3.64Å; W91-F94 HydrophobicContact CZ3-CD1 3.64Å; W91-F94 AromaticContact CZ3-CE1 3.88Å; W91-F94 HydrophobicContact CZ3-CE1 3.88Å; W91-F94 CarbonylContact O-C 3.51Å; W91-F94 WeakPolarHBondContact O-CB 3.24Å; W91-F94 PolarHBondContact O-N 3.13Å; W91-F94 VanDerWaalsContact O-N 3.11Å; W91-A95 WeakPolarHBondContact O-CB 3.32Å; W91-A95 PolarHBondContact O-N 2.89Å; W91-I100 HydrophobicContact CH2-CD1 4.45Å
92D93.3Very high92.2Very high58 Ų58111.1 Ų111.131%0.3156%0.559SS.*Hα-helixtrans-64.7-37.7179.1-57.5-42000111.8L88 T89 F94 A95 R96L88-D92 HydrophobicContact CB-CB 4.25Å; L88-D92 HydrophobicContact CD2-CB 3.92Å; T89-D92 WeakPolarHBondContact CB-OD2 3.49Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.48Å; T89-D92 PolarHBondContact N-OD2 3.11Å; T89-D92 PolarHBondContact O-N 3.38Å; T89-D92 VanDerWaalsContact O-N 3.11Å; T89-D92 PolarHBondContact OG1-N 3.1Å; T89-D92 VanDerWaalsContact OG1-N 3.16Å; T89-D92 PolarHBondContact OG1-OD2 2.84Å; D92-F94 VanDerWaalsContact C-N 3.34Å; D92-A95 PolarHBondContact O-N 3Å; D92-R96 VanDerWaalsContact O-CB 3.29Å; D92-R96 WeakPolarHBondContact O-CB 3.48Å; D92-R96 PolarHBondContact O-N 3.24Å
93R93.3Very high92.3Very high124 Ų124115.2 Ų115.247%0.46857%0.567SS.*Hα-helixtrans-59.3-46.6171.9-66.6178.7-164.7-162.4-1110.8L88 T89 W91 L97L88-R93 HydrophobicContact CB-CG 3.65Å; L88-R93 HydrophobicContact CD1-CG 4.46Å; L88-R93 PolarHBondContact O-NE 3.17Å; T89-R93 WeakPolarHBondContact O-CG 3.48Å; T89-R93 PolarHBondContact O-N 2.8Å; W91-R93 VanDerWaalsContact C-N 3.31Å; W91-R93 PolarHBondContact O-N 3.1Å; R93-L97 WeakPolarHBondContact O-CB 3.29Å; R93-L97 VanDerWaalsContact O-CG 3.28Å; R93-L97 WeakPolarHBondContact O-CG 3.28Å; R93-L97 PolarHBondContact O-N 3.44Å
94F95.2Very high92.3Very high90 Ų90120.2 Ų120.240%0.39558%0.578SS.*Hα-helixtrans-64.8-45.8177.8176.5-98.1000112.4R90 W91 D92 R96 L97 K98 I100R90-F94 PolarHBondContact O-N 3.44Å; R90-F94 VanDerWaalsContact O-N 3.11Å; W91-F94 AromaticContact CE3-CD1 3.95Å; W91-F94 HydrophobicContact CE3-CD1 3.95Å; W91-F94 HydrophobicContact CH2-CD1 4.17Å; W91-F94 HydrophobicContact CH2-CE1 4.21Å; W91-F94 AromaticContact CZ3-CD1 3.64Å; W91-F94 HydrophobicContact CZ3-CD1 3.64Å; W91-F94 AromaticContact CZ3-CE1 3.88Å; W91-F94 HydrophobicContact CZ3-CE1 3.88Å; W91-F94 CarbonylContact O-C 3.51Å; W91-F94 WeakPolarHBondContact O-CB 3.24Å; W91-F94 PolarHBondContact O-N 3.13Å; W91-F94 VanDerWaalsContact O-N 3.11Å; D92-F94 VanDerWaalsContact C-N 3.34Å; F94-R96 VanDerWaalsContact C-N 3.33Å; F94-R96 PolarHBondContact O-N 3.3Å; F94-L97 PolarHBondContact O-N 2.97Å; F94-K98 HydrophobicContact CD2-CG 4.31Å; F94-K98 HydrophobicContact CE1-CG 4.1Å; F94-K98 HydrophobicContact CE2-CG 3.84Å; F94-K98 HydrophobicContact CZ-CG 3.73Å; F94-K98 WeakPolarHBondContact O-CB 3.48Å; F94-K98 PolarHBondContact O-N 2.91Å; F94-I100 HydrophobicContact CD1-CD1 4.31Å; F94-I100 HydrophobicContact CE1-CD1 3.94Å
95A95.3Very high92.5Very high7 Ų7123.5 Ų123.56%0.05858%0.58CS.*Hα-helixtrans-61.6-41.6178.800000111.4W91 D92 K98 G99 I100W91-A95 WeakPolarHBondContact O-CB 3.32Å; W91-A95 PolarHBondContact O-N 2.89Å; D92-A95 PolarHBondContact O-N 3Å; A95-K98 PolarHBondContact O-N 2.86Å; A95-G99 PolarHBondContact O-N 3.21Å; A95-I100 HydrophobicContact CB-CB 4.15Å; A95-I100 PolarHBondContact O-N 2.95Å
96R94.4Very high92.7Very high193 Ų193122.5 Ų122.573%0.72857%0.567SS**Hα-helixtrans-63-46.3173.6-176.4176.6176.7171.7-0.4112D92 F94 K98 G99D92-R96 VanDerWaalsContact O-CB 3.29Å; D92-R96 WeakPolarHBondContact O-CB 3.48Å; D92-R96 PolarHBondContact O-N 3.24Å; F94-R96 VanDerWaalsContact C-N 3.33Å; F94-R96 PolarHBondContact O-N 3.3Å; R96-K98 VanDerWaalsContact C-N 3.28Å; R96-K98 PolarHBondContact O-N 3.15Å; R96-G99 PolarHBondContact O-N 3.21Å
97L96.2Very high93Very high149 Ų149120.3 Ų120.378%0.7855%0.553SS**Hα-helixtrans-63-34.1178.4-75171.3000112.8R93 F94R93-L97 WeakPolarHBondContact O-CB 3.29Å; R93-L97 VanDerWaalsContact O-CG 3.28Å; R93-L97 WeakPolarHBondContact O-CG 3.28Å; R93-L97 PolarHBondContact O-N 3.44Å; F94-L97 PolarHBondContact O-N 2.97Å
98K96.6Very high93.4Very high147 Ų147120.1 Ų120.164%0.63955%0.551SS**Hα-helixtrans-90.8-3.9179-70.4-62.8-173.1-178.80114.2F94 A95 R96 I100F94-K98 HydrophobicContact CD2-CG 4.31Å; F94-K98 HydrophobicContact CE1-CG 4.1Å; F94-K98 HydrophobicContact CE2-CG 3.84Å; F94-K98 HydrophobicContact CZ-CG 3.73Å; F94-K98 WeakPolarHBondContact O-CB 3.48Å; F94-K98 PolarHBondContact O-N 2.91Å; A95-K98 PolarHBondContact O-N 2.86Å; R96-K98 VanDerWaalsContact C-N 3.28Å; R96-K98 PolarHBondContact O-N 3.15Å; K98-I100 VanDerWaalsContact C-N 3.25Å; K98-I100 HydrophobicContact CB-CD1 4Å; K98-I100 HydrophobicContact CB-CG1 3.82Å; K98-I100 PolarHBondContact O-N 3.24Å
99G94.2Very high93.6Very high56 Ų56118.1 Ų118.158%0.57754%0.542SS*.THydrogen-bonded Turntrans65.426-17600000113.9A95 R96 Q101A95-G99 PolarHBondContact O-N 3.21Å; R96-G99 PolarHBondContact O-N 3.21Å; G99-Q101 PolarHBondContact O-N 3.28Å
100I94.3Very high93.7Very high76 Ų76121.5 Ų121.539%0.3955%0.549SS..  trans-70.2116-179.6-60.6173.4000108.9W91 F94 A95 K98W91-I100 HydrophobicContact CH2-CD1 4.45Å; F94-I100 HydrophobicContact CD1-CD1 4.31Å; F94-I100 HydrophobicContact CE1-CD1 3.94Å; A95-I100 HydrophobicContact CB-CB 4.15Å; A95-I100 PolarHBondContact O-N 2.95Å; K98-I100 VanDerWaalsContact C-N 3.25Å; K98-I100 HydrophobicContact CB-CD1 4Å; K98-I100 HydrophobicContact CB-CG1 3.82Å; K98-I100 PolarHBondContact O-N 3.24Å
101Q92.5Very high93.8Very high150 Ų150115.2 Ų115.270%0.70153%0.527SS*.  trans-86.3123.3176.3-65.4-177.6-7.300111G99 R103G99-Q101 PolarHBondContact O-N 3.28Å; Q101-R103 PolarHBondContact O-N 3.4Å
102N90.5Very high93.8Very high136 Ų136112.8 Ų112.873%0.72753%0.529SS*.  trans-74.3109.6175.9-74.7-20.7000110.6
103R93.1Very high93.6Very high205 Ų205116.3 Ų116.377%0.77455%0.553SS**PPolyproline II helixtrans-99.8138.9173.8-62.3-176.1-177.9-179.20.4111Q101 K105Q101-R103 PolarHBondContact O-N 3.4Å; R103-K105 PolarHBondContact O-N 3.29Å
104K92.9Very high93.4Very high215 Ų215112.7 Ų112.794%0.93555%0.546SS*.PPolyproline II helixtrans-67.3128.5172.9-67.6-175.3-179.6178.40109.1
105K92.4Very high93.3Very high164 Ų164115.7 Ų115.771%0.71356%0.562SS**PPolyproline II helixtrans-100.4142.3173.4-62.6-176.3-178.8-176.80109.2R103R103-K105 PolarHBondContact O-N 3.29Å
106S93.3Very high93.2Very high77 Ų77117.5 Ų117.554%0.53857%0.574SS.*PPolyproline II helixtrans-63.8150.4175.558.50000111.5K108S106-K108 PolarHBondContact OG-O 3.01Å
107R93.7Very high93.2Very high156 Ų156115.6 Ų115.659%0.58957%0.566SS**SBendtrans-70.3-37.5175.9-176.4171.566.289.2-6112P119 R120R107-P119 CarbonylContact O-C 3.56Å; R107-P119 WeakPolarHBondContact O-CA 3.41Å; R107-R120 PolarHBondContact O-N 3.22Å
108K94.3Very high93.1Very high101 Ų101110.8 Ų110.844%0.43954%0.539SS..EExtended strand (participates in β ladder)trans-96.8142.1178-62.8-173.2178.6-173.50110.7S106 W117 K118S106-K108 PolarHBondContact OG-O 3.01Å; K108-W117 HydrophobicContact CB-CB 4.25Å; K108-W117 HydrophobicContact CB-CE3 4Å; K108-W117 HydrophobicContact CD-CB 3.97Å; K108-K118 CarbonylContact C-O 3.58Å; K108-K118 VanDerWaalsContact CA-O 3.32Å; K108-K118 WeakPolarHBondContact CA-O 3.43Å
109V95.1Very high93Very high34 Ų34104.9 Ų104.921%0.20652%0.516CS..EExtended strand (participates in β ladder)trans-128.6136.6176.8-178.40000106.6D111 K118 R120 I126V109-D111 PolarHBondContact O-N 3.11Å; V109-K118 PolarHBondContact N-O 3.34Å; V109-K118 PolarHBondContact O-N 3.43Å; V109-R120 HydrophobicContact CG2-CB 4.05Å; V109-R120 HydrophobicContact CG2-CG 4.46Å; V109-R120 VanDerWaalsContact CG2-NH2 3.33Å; V109-I126 HydrophobicContact CB-CD1 4.44Å; V109-I126 HydrophobicContact CG1-CD1 4.07Å
110W94.4Very high93Very high121 Ų121107.7 Ų107.746%0.45851%0.509SS..EExtended strand (participates in β ladder)trans-67.5126176.2-177.6-103.4000109.4E115 W117W110-E115 HydrophobicContact CH2-CB 4.34Å; W110-E115 WeakPolarHBondContact CH2-O 3.5Å; W110-E115 HydrophobicContact CZ2-CB 4.13Å; W110-W117 HydrophobicContact CB-CD2 4.44Å; W110-W117 HydrophobicContact CB-CE3 4.16Å; W110-W117 HydrophobicContact CB-CH2 4.08Å; W110-W117 HydrophobicContact CB-CZ2 4.35Å; W110-W117 HydrophobicContact CB-CZ3 3.99Å; W110-W117 AromaticContact CE3-CD1 3.64Å; W110-W117 AromaticContact CE3-CD2 3.93Å; W110-W117 HydrophobicContact CE3-CD2 3.93Å; W110-W117 AromaticContact CE3-CE2 3.67Å; W110-W117 AromaticContact CE3-CG 3.93Å; W110-W117 HydrophobicContact CE3-CG 3.93Å; W110-W117 HydrophobicContact CE3-CZ2 4.27Å; W110-W117 AromaticContact CE3-NE1 3.46Å; W110-W117 AromaticContact CZ3-CD1 3.71Å; W110-W117 HydrophobicContact CZ3-CG 4.37Å; W110-W117 AromaticContact CZ3-NE1 3.68Å; W110-W117 VanDerWaalsContact N-CE3 3.33Å; W110-W117 VanDerWaalsContact N-CZ3 3.34Å
111D92.7Very high93Very high17 Ų17112.7 Ų112.79%0.09152%0.523CS..EExtended strand (participates in β ladder)trans-99113.3172174.516.2000108.5V109 V113 S114 E115 S116 K118 I126V109-D111 PolarHBondContact O-N 3.11Å; D111-V113 PolarHBondContact O-N 2.99Å; D111-V113 PolarHBondContact OD1-N 3.39Å; D111-V113 VanDerWaalsContact OD1-N 3.14Å; D111-S114 WeakPolarHBondContact CB-OG 3.45Å; D111-S114 VanDerWaalsContact CG-OG 3.28Å; D111-S114 WeakPolarHBondContact OD2-CB 3.37Å; D111-S114 PolarHBondContact OD2-OG 3.32Å; D111-E115 PolarHBondContact O-N 3.41Å; D111-E115 VanDerWaalsContact O-N 3.09Å; D111-S116 PolarHBondContact N-O 3.38Å; D111-S116 PolarHBondContact O-N 3.08Å; D111-K118 HydrophobicContact CB-CB 4.48Å; D111-K118 HydrophobicContact CB-CD 4.03Å; D111-K118 HydrophobicContact CB-CG 4.26Å; D111-K118 WeakPolarHBondContact OD2-CD 3.47Å; D111-K118 WeakPolarHBondContact OD2-CE 3.36Å; D111-K118 IonicContact OD2-NZ 2.61Å; D111-K118 PolarHBondContact OD2-NZ 3.41Å; D111-I126 HydrophobicContact CB-CD1 3.94Å; D111-I126 HydrophobicContact CB-CG1 4.37Å
112P92.8Very high93Very high92 Ų92107.4 Ų107.460%0.59751%0.509SS*.THydrogen-bonded Turntrans-67.3-22.3-177.428.4-34.8000113.1
113V89.3Confident93Very high133 Ų133109.1 Ų109.181%0.80651%0.51SS*.THydrogen-bonded Turntrans-79.4-39.6-176.5-179.20000111.8D111D111-V113 PolarHBondContact O-N 2.99Å; D111-V113 PolarHBondContact OD1-N 3.39Å; D111-V113 VanDerWaalsContact OD1-N 3.14Å
114S88.3Confident92.8Very high47 Ų47104.2 Ų104.233%0.32950%0.5SS..THydrogen-bonded Turntrans-96.80.7179.262.40000113.7D111 S116 K118D111-S114 WeakPolarHBondContact CB-OG 3.45Å; D111-S114 VanDerWaalsContact CG-OG 3.28Å; D111-S114 WeakPolarHBondContact OD2-CB 3.37Å; D111-S114 PolarHBondContact OD2-OG 3.32Å; S114-S116 WeakPolarHBondContact O-CB 3.35Å; S114-S116 PolarHBondContact O-N 3.01Å; S114-S116 VanDerWaalsContact O-N 3.08Å; S114-S116 PolarHBondContact OG-OG 3.18Å; S114-K118 WeakPolarHBondContact OG-CE 3.36Å; S114-K118 PolarHBondContact OG-NZ 2.92Å
115E92.5Very high92.8Very high154 Ų15496.5 Ų96.572%0.7247%0.465SS*.THydrogen-bonded Turntrans47.239.2-175.5-59.7-178.517400112.6W110 D111W110-E115 HydrophobicContact CH2-CB 4.34Å; W110-E115 WeakPolarHBondContact CH2-O 3.5Å; W110-E115 HydrophobicContact CZ2-CB 4.13Å; D111-E115 PolarHBondContact O-N 3.41Å; D111-E115 VanDerWaalsContact O-N 3.09Å
116S93.6Very high92.7Very high44 Ų4490.2 Ų90.231%0.30844%0.438SS..EExtended strand (participates in β ladder)trans-141.2153.2-172.776.20000112.7D111 S114 K118D111-S116 PolarHBondContact N-O 3.38Å; D111-S116 PolarHBondContact O-N 3.08Å; S114-S116 WeakPolarHBondContact O-CB 3.35Å; S114-S116 PolarHBondContact O-N 3.01Å; S114-S116 VanDerWaalsContact O-N 3.08Å; S114-S116 PolarHBondContact OG-OG 3.18Å; S116-K118 PolarHBondContact O-N 2.89Å
117W93.8Very high92.3Very high153 Ų15392.4 Ų92.458%0.5844%0.444SS*.EExtended strand (participates in β ladder)trans-80.595.6176-75.199000111.2K108 W110K108-W117 HydrophobicContact CB-CB 4.25Å; K108-W117 HydrophobicContact CB-CE3 4Å; K108-W117 HydrophobicContact CD-CB 3.97Å; W110-W117 HydrophobicContact CB-CD2 4.44Å; W110-W117 HydrophobicContact CB-CE3 4.16Å; W110-W117 HydrophobicContact CB-CH2 4.08Å; W110-W117 HydrophobicContact CB-CZ2 4.35Å; W110-W117 HydrophobicContact CB-CZ3 3.99Å; W110-W117 AromaticContact CE3-CD1 3.64Å; W110-W117 AromaticContact CE3-CD2 3.93Å; W110-W117 HydrophobicContact CE3-CD2 3.93Å; W110-W117 AromaticContact CE3-CE2 3.67Å; W110-W117 AromaticContact CE3-CG 3.93Å; W110-W117 HydrophobicContact CE3-CG 3.93Å; W110-W117 HydrophobicContact CE3-CZ2 4.27Å; W110-W117 AromaticContact CE3-NE1 3.46Å; W110-W117 AromaticContact CZ3-CD1 3.71Å; W110-W117 HydrophobicContact CZ3-CG 4.37Å; W110-W117 AromaticContact CZ3-NE1 3.68Å; W110-W117 VanDerWaalsContact N-CE3 3.33Å; W110-W117 VanDerWaalsContact N-CZ3 3.34Å
118K94Very high92Very high48 Ų4886.3 Ų86.321%0.20942%0.423CS..EExtended strand (participates in β ladder)trans-89.8148.7176.3-70.6-174.7178.5163.10112.6K108 V109 D111 S114 S116 I126K108-K118 CarbonylContact C-O 3.58Å; K108-K118 VanDerWaalsContact CA-O 3.32Å; K108-K118 WeakPolarHBondContact CA-O 3.43Å; V109-K118 PolarHBondContact N-O 3.34Å; V109-K118 PolarHBondContact O-N 3.43Å; D111-K118 HydrophobicContact CB-CB 4.48Å; D111-K118 HydrophobicContact CB-CD 4.03Å; D111-K118 HydrophobicContact CB-CG 4.26Å; D111-K118 WeakPolarHBondContact OD2-CD 3.47Å; D111-K118 WeakPolarHBondContact OD2-CE 3.36Å; D111-K118 IonicContact OD2-NZ 2.61Å; D111-K118 PolarHBondContact OD2-NZ 3.41Å; S114-K118 WeakPolarHBondContact OG-CE 3.36Å; S114-K118 PolarHBondContact OG-NZ 2.92Å; S116-K118 PolarHBondContact O-N 2.89Å; K118-I126 HydrophobicContact CB-CB 4.42Å
119P95.8Very high91.6Very high23 Ų2383.3 Ų83.315%0.14941%0.413CS..EExtended strand (participates in β ladder)trans-66.6147.5173.825.8-31.7000112R107 W121 K123 D124 R125 I126R107-P119 CarbonylContact O-C 3.56Å; R107-P119 WeakPolarHBondContact O-CA 3.41Å; P119-W121 VanDerWaalsContact C-N 3.31Å; P119-W121 PolarHBondContact O-N 2.89Å; P119-K123 VanDerWaalsContact CG-O 3.24Å; P119-K123 WeakPolarHBondContact CG-O 3.45Å; P119-D124 VanDerWaalsContact CD-O 3.3Å; P119-D124 WeakPolarHBondContact CD-O 3.47Å; P119-R125 CarbonylContact O-C 3.57Å; P119-R125 WeakPolarHBondContact O-CA 3.49Å; P119-R125 VanDerWaalsContact O-CB 3.28Å; P119-R125 WeakPolarHBondContact O-CB 3.32Å; P119-I126 PolarHBondContact O-N 3.44Å
120R94.4Very high91.1Very high115 Ų11590.3 Ų90.343%0.43444%0.441SS..SBendtrans-69.8-27.9175.7-175.6178.7-70.8-88.20.3112.9R107 V109R107-R120 PolarHBondContact O-N 3.22Å; V109-R120 HydrophobicContact CG2-CB 4.05Å; V109-R120 HydrophobicContact CG2-CG 4.46Å; V109-R120 VanDerWaalsContact CG2-NH2 3.33Å
121W92.6Very high90.7Very high181 Ų18189.4 Ų89.469%0.68645%0.445SS*.SBendtrans-151.9157.3-179.861.9-85.3000109.8P119P119-W121 VanDerWaalsContact C-N 3.31Å; P119-W121 PolarHBondContact O-N 2.89Å
122G92.6Very high90.4Very high40 Ų4092.7 Ų92.741%0.41246%0.459SS..SBendtrans105.1-156-175.600000112.7
123K91Very high90Very high172 Ų17299.2 Ų99.275%0.74847%0.471SS*.THydrogen-bonded Turntrans-68.8141.5174.2-165.5-167.8169.2-173.40109.7P119 R125P119-K123 VanDerWaalsContact CG-O 3.24Å; P119-K123 WeakPolarHBondContact CG-O 3.45Å; K123-R125 PolarHBondContact O-N 2.61Å
124D89.5Confident89.9Confident102 Ų10296.9 Ų96.955%0.54546%0.457SS..THydrogen-bonded Turntrans55.136.1175.9-46.3-34.2000113.3P119P119-D124 VanDerWaalsContact CD-O 3.3Å; P119-D124 WeakPolarHBondContact CD-O 3.47Å
125R92.6Very high89.8Confident53 Ų5396.7 Ų96.720%0.245%0.452CS..  trans-73160.1-17769.5162.8-171.8-99-14.8112.3P119 K123 D128P119-R125 CarbonylContact O-C 3.57Å; P119-R125 WeakPolarHBondContact O-CA 3.49Å; P119-R125 VanDerWaalsContact O-CB 3.28Å; P119-R125 WeakPolarHBondContact O-CB 3.32Å; K123-R125 PolarHBondContact O-N 2.61Å; R125-D128 HydrophobicContact CG-CB 4.28Å; R125-D128 IonicContact CZ-OD1 2.7Å; R125-D128 IonicContact NE-OD1 2.73Å; R125-D128 IonicContact NH2-OD1 3.19Å; R125-D128 PolarHBondContact NH2-OD1 3.11Å
126I90.1Very high89.5Confident31 Ų3197.9 Ų97.916%0.15946%0.458CS..THydrogen-bonded Turntrans-60.5142.6166.8-158.6161.1000110.7V109 D111 K118 P119 D128V109-I126 HydrophobicContact CB-CD1 4.44Å; V109-I126 HydrophobicContact CG1-CD1 4.07Å; D111-I126 HydrophobicContact CB-CD1 3.94Å; D111-I126 HydrophobicContact CB-CG1 4.37Å; K118-I126 HydrophobicContact CB-CB 4.42Å; P119-I126 PolarHBondContact O-N 3.44Å; I126-D128 PolarHBondContact O-N 3.28Å
127D84.5Confident89.1Confident124 Ų12498.8 Ų98.866%0.66346%0.461SS*.THydrogen-bonded Turntrans52.248.2-177.9-57.7-34.2000114.5
128D87.5Confident88.7Confident27 Ų2795 Ų9514%0.14446%0.456CS..  trans-72.9144168.9-152.312.7000111.4R125 I126 K130 D131R125-D128 HydrophobicContact CG-CB 4.28Å; R125-D128 IonicContact CZ-OD1 2.7Å; R125-D128 IonicContact NE-OD1 2.73Å; R125-D128 IonicContact NH2-OD1 3.19Å; R125-D128 PolarHBondContact NH2-OD1 3.11Å; I126-D128 PolarHBondContact O-N 3.28Å; D128-K130 PolarHBondContact O-N 3.44Å; D128-D131 PolarHBondContact O-N 2.75Å
129V86.5Confident88.1Confident38 Ų38100.7 Ų100.723%0.2349%0.489CS..G310 helixtrans-69.4-26-179.5178.80000110.5D131 K132 F148V129-D131 VanDerWaalsContact C-N 3.35Å; V129-K132 PolarHBondContact O-N 3.4Å; V129-F148 HydrophobicContact CG1-CD1 3.98Å
130K85.1Confident87.4Confident182 Ų182107.7 Ų107.779%0.79153%0.525SS*.G310 helixtrans-70.2-28.8-179.7-62.9-178.3177-173.50113.7D128 K132D128-K130 PolarHBondContact O-N 3.44Å; K130-K132 VanDerWaalsContact C-N 3.28Å
131D84.8Confident86.6Confident101 Ų101103.2 Ų103.254%0.5451%0.513SS..G310 helixtrans-81.6-15.1-177.4-60.1-10.6000111.4D128 V129 W133D128-D131 PolarHBondContact O-N 2.75Å; V129-D131 VanDerWaalsContact C-N 3.35Å; D131-W133 PolarHBondContact O-N 3.11Å
132K86.3Confident86Confident87 Ų8799.2 Ų99.238%0.37851%0.505SS..  trans-81.8110.8178-59.9-172.8-179.1-164.90109.1V129 K130 L135 F148V129-K132 PolarHBondContact O-N 3.4Å; K130-K132 VanDerWaalsContact C-N 3.28Å; K132-L135 HydrophobicContact CD-CD2 3.91Å; K132-F148 HydrophobicContact CB-CE1 4.31Å; K132-F148 VanDerWaalsContact O-CE1 3.28Å; K132-F148 WeakPolarHBondContact O-CE1 3.37Å; K132-F148 VanDerWaalsContact O-CZ 3.32Å; K132-F148 WeakPolarHBondContact O-CZ 3.49Å
133W86Confident85.3Confident228 Ų228102.2 Ų102.286%0.86452%0.517SS*.SBendtrans-84.3-29.2179.761.5-83.8000112.8D131D131-W133 PolarHBondContact O-N 3.11Å
134V86.8Confident84.9Confident85 Ų85104.2 Ų104.252%0.51552%0.522SS..  trans-135.5141.4175.6161.70000109.9
135L85.8Confident84.6Confident43 Ų43102.9 Ų102.923%0.22551%0.512CS..  trans-122.6124.9170.2-72.8169.5000107.8K132 Q147 F148 L151K132-L135 HydrophobicContact CD-CD2 3.91Å; L135-Q147 HydrophobicContact CB-CB 4.11Å; L135-Q147 HydrophobicContact CD1-CB 4.02Å; L135-F148 HydrophobicContact CD1-CD1 3.59Å; L135-F148 HydrophobicContact CD1-CD2 4.01Å; L135-F148 HydrophobicContact CD1-CE1 3.59Å; L135-F148 HydrophobicContact CD1-CE2 4Å; L135-F148 HydrophobicContact CD1-CG 3.81Å; L135-F148 HydrophobicContact CD1-CZ 3.79Å; L135-F148 HydrophobicContact CG-CE1 4.04Å; L135-F148 HydrophobicContact CG-CE2 4.29Å; L135-F148 HydrophobicContact CG-CZ 3.91Å; L135-L151 HydrophobicContact CD1-CD1 3.63Å; L135-L151 HydrophobicContact CD2-CD1 4.23Å
136E85.6Confident84.4Confident179 Ų179104.8 Ų104.884%0.83653%0.526SS*.PPolyproline II helixtrans-67132.3173.2-67.1171.4-172.400109.6P138E136-P138 WeakPolarHBondContact O-CD 3.35Å
137V86.2Confident84.3Confident63 Ų63104.4 Ų104.438%0.38252%0.524SS..PPolyproline II helixtrans-78.6122.9174.1178.60000107.5A141 Q147V137-A141 HydrophobicContact CG1-CB 4.19Å; V137-Q147 HydrophobicContact CG2-CG 3.97Å
138P86Confident84.5Confident72 Ų72101.6 Ų101.647%0.46851%0.506SS..PPolyproline II helixtrans-61.1141176.1-21.232.3000111.2E136 N140 A141E136-P138 WeakPolarHBondContact O-CD 3.35Å; P138-N140 PolarHBondContact O-N 2.93Å; P138-A141 HydrophobicContact CB-CB 4.4Å; P138-A141 WeakPolarHBondContact O-CB 3.43Å; P138-A141 PolarHBondContact O-N 3.16Å
139D80.3Confident84.5Confident168 Ų168101.9 Ų101.990%0.89851%0.512SS*.THydrogen-bonded Turntrans-56.4-21.7-178.2-58.1-28.5000114.2
140N81.9Confident84.7Confident170 Ų170104.1 Ų104.191%0.90952%0.518SS*.THydrogen-bonded Turntrans-931.9178.9-70.3-27.1000114.2P138P138-N140 PolarHBondContact O-N 2.93Å
141A76.8Confident84.9Confident22 Ų2298.8 Ų98.818%0.18250%0.498CS..SBendtrans-103.2157.4-179.400000111.4V137 P138 P143V137-A141 HydrophobicContact CG1-CB 4.19Å; P138-A141 HydrophobicContact CB-CB 4.4Å; P138-A141 WeakPolarHBondContact O-CB 3.43Å; P138-A141 PolarHBondContact O-N 3.16Å; A141-P143 WeakPolarHBondContact O-CD 3.45Å
142D80.5Confident85.2Confident97 Ų9798.7 Ų98.752%0.51950%0.497SS..  trans-62.7123.1173.2-172.3-12.3000109.1Y144 E145D142-Y144 PolarHBondContact O-N 3.11Å; D142-Y144 PolarHBondContact OD1-N 3.33Å; D142-E145 HydrophobicContact CB-CB 4.34Å; D142-E145 WeakPolarHBondContact O-CB 3.36Å; D142-E145 PolarHBondContact O-N 3.19Å
143P78.5Confident85.5Confident102 Ų102100.1 Ų100.166%0.66251%0.505SS*.THydrogen-bonded Turntrans-55.5-23.8179-27.235.6000114.1A141A141-P143 WeakPolarHBondContact O-CD 3.45Å
144Y81Confident85.9Confident215 Ų21591 Ų9184%0.84348%0.478SS*.THydrogen-bonded Turntrans-90.70.3-179.3-62.2-75.6000114.1D142D142-Y144 PolarHBondContact O-N 3.11Å; D142-Y144 PolarHBondContact OD1-N 3.33Å
145E83.3Confident86.2Confident73 Ų7389.8 Ų89.834%0.34147%0.466SS..SBendtrans-81.2124.9179.4-167.2-176.4-177.500112D142 Q147 K150D142-E145 HydrophobicContact CB-CB 4.34Å; D142-E145 WeakPolarHBondContact O-CB 3.36Å; D142-E145 PolarHBondContact O-N 3.19Å; E145-Q147 PolarHBondContact O-N 3Å; E145-Q147 VanDerWaalsContact O-N 3.08Å; E145-Q147 PolarHBondContact O-NE2 2.92Å; E145-K150 VanDerWaalsContact CD-NZ 3.34Å; E145-K150 WeakPolarHBondContact OE1-CD 3.49Å; E145-K150 WeakPolarHBondContact OE1-CE 3.32Å; E145-K150 IonicContact OE1-NZ 3.24Å; E145-K150 PolarHBondContact OE1-NZ 3.4Å; E145-K150 IonicContact OE2-NZ 2.71Å; E145-K150 PolarHBondContact OE2-NZ 3Å
146D88.2Confident86.6Confident94 Ų9495.1 Ų95.150%0.50349%0.487SS..  trans-68.2105.4173.4178.44.4000111.3F148 A149 K150D146-F148 VanDerWaalsContact C-N 3.28Å; D146-F148 PolarHBondContact O-N 3Å; D146-F148 WeakPolarHBondContact OD1-CB 3.37Å; D146-F148 PolarHBondContact OD1-N 3.08Å; D146-A149 HydrophobicContact CB-CB 3.96Å; D146-A149 PolarHBondContact O-N 3.44Å; D146-A149 PolarHBondContact OD1-N 3.24Å; D146-A149 WeakPolarHBondContact OD2-CB 3.37Å; D146-K150 PolarHBondContact O-N 3.26Å; D146-K150 VanDerWaalsContact O-N 3.08Å
147Q87.8Confident87.1Confident23 Ų2392.7 Ų92.711%0.10748%0.476CS..Hα-helixtrans-64.1-30.5-180-58.4-56.1-31.700112.8L135 V137 E145 K150 L151L135-Q147 HydrophobicContact CB-CB 4.11Å; L135-Q147 HydrophobicContact CD1-CB 4.02Å; V137-Q147 HydrophobicContact CG2-CG 3.97Å; E145-Q147 PolarHBondContact O-N 3Å; E145-Q147 VanDerWaalsContact O-N 3.08Å; E145-Q147 PolarHBondContact O-NE2 2.92Å; Q147-K150 PolarHBondContact O-N 3.09Å; Q147-L151 WeakPolarHBondContact O-CG 3.37Å; Q147-L151 PolarHBondContact O-N 3.5Å
148F88.9Confident87.5Confident65 Ų6597.9 Ų97.929%0.28549%0.489SS..Hα-helixtrans-68.4-45.7176.1-70.8-82.6000110.8V129 K132 L135 D146 K150 L151 I152V129-F148 HydrophobicContact CG1-CD1 3.98Å; K132-F148 HydrophobicContact CB-CE1 4.31Å; K132-F148 VanDerWaalsContact O-CE1 3.28Å; K132-F148 WeakPolarHBondContact O-CE1 3.37Å; K132-F148 VanDerWaalsContact O-CZ 3.32Å; K132-F148 WeakPolarHBondContact O-CZ 3.49Å; L135-F148 HydrophobicContact CD1-CD1 3.59Å; L135-F148 HydrophobicContact CD1-CD2 4.01Å; L135-F148 HydrophobicContact CD1-CE1 3.59Å; L135-F148 HydrophobicContact CD1-CE2 4Å; L135-F148 HydrophobicContact CD1-CG 3.81Å; L135-F148 HydrophobicContact CD1-CZ 3.79Å; L135-F148 HydrophobicContact CG-CE1 4.04Å; L135-F148 HydrophobicContact CG-CE2 4.29Å; L135-F148 HydrophobicContact CG-CZ 3.91Å; D146-F148 VanDerWaalsContact C-N 3.28Å; D146-F148 PolarHBondContact O-N 3Å; D146-F148 WeakPolarHBondContact OD1-CB 3.37Å; D146-F148 PolarHBondContact OD1-N 3.08Å; F148-K150 VanDerWaalsContact C-N 3.29Å; F148-K150 PolarHBondContact O-N 3.43Å; F148-L151 PolarHBondContact O-N 2.84Å; F148-I152 VanDerWaalsContact O-CG1 3.28Å; F148-I152 WeakPolarHBondContact O-CG1 3.28Å; F148-I152 PolarHBondContact O-N 3.14Å
149A89.4Confident88Confident33 Ų33101.7 Ų101.727%0.27349%0.494SS..Hα-helixtrans-57.5-44.2175.100000111.3D146 L151 I152 Q153D146-A149 HydrophobicContact CB-CB 3.96Å; D146-A149 PolarHBondContact O-N 3.44Å; D146-A149 PolarHBondContact OD1-N 3.24Å; D146-A149 WeakPolarHBondContact OD2-CB 3.37Å; A149-L151 PolarHBondContact O-N 3.3Å; A149-I152 PolarHBondContact O-N 2.94Å; A149-Q153 WeakPolarHBondContact O-CB 3.43Å; A149-Q153 VanDerWaalsContact O-CG 3.3Å; A149-Q153 WeakPolarHBondContact O-CG 3.38Å; A149-Q153 PolarHBondContact O-N 2.77Å
150K89.8Confident88.6Confident84 Ų8496.5 Ų96.537%0.36547%0.474SS..Hα-helixtrans-59.2-45.5176.6-166.5178-161.6152.60112.7E145 D146 Q147 F148 I152 Q153 A154E145-K150 VanDerWaalsContact CD-NZ 3.34Å; E145-K150 WeakPolarHBondContact OE1-CD 3.49Å; E145-K150 WeakPolarHBondContact OE1-CE 3.32Å; E145-K150 IonicContact OE1-NZ 3.24Å; E145-K150 PolarHBondContact OE1-NZ 3.4Å; E145-K150 IonicContact OE2-NZ 2.71Å; E145-K150 PolarHBondContact OE2-NZ 3Å; D146-K150 PolarHBondContact O-N 3.26Å; D146-K150 VanDerWaalsContact O-N 3.08Å; Q147-K150 PolarHBondContact O-N 3.09Å; F148-K150 VanDerWaalsContact C-N 3.29Å; F148-K150 PolarHBondContact O-N 3.43Å; K150-I152 VanDerWaalsContact C-N 3.35Å; K150-I152 PolarHBondContact O-N 3.26Å; K150-Q153 PolarHBondContact O-N 3.47Å; K150-A154 VanDerWaalsContact O-CB 3.3Å; K150-A154 WeakPolarHBondContact O-CB 3.47Å; K150-A154 PolarHBondContact O-N 3.12Å
151L89.8Confident89.2Confident70 Ų7095 Ų9537%0.36646%0.46SS..Hα-helixtrans-63.4-39.8176.3-72.6-178.9000112.5L135 Q147 F148 A149 K155L135-L151 HydrophobicContact CD1-CD1 3.63Å; L135-L151 HydrophobicContact CD2-CD1 4.23Å; Q147-L151 WeakPolarHBondContact O-CG 3.37Å; Q147-L151 PolarHBondContact O-N 3.5Å; F148-L151 PolarHBondContact O-N 2.84Å; A149-L151 PolarHBondContact O-N 3.3Å; L151-K155 WeakPolarHBondContact O-CB 3.41Å; L151-K155 PolarHBondContact O-N 3.19Å
152I91.2Very high90.1Very high99 Ų9998.8 Ų98.851%0.50848%0.477SS..Hα-helixtrans-65.2-46.4177.2-67.7166000110.2F148 A149 K150 K155 K156F148-I152 VanDerWaalsContact O-CG1 3.28Å; F148-I152 WeakPolarHBondContact O-CG1 3.28Å; F148-I152 PolarHBondContact O-N 3.14Å; A149-I152 PolarHBondContact O-N 2.94Å; K150-I152 VanDerWaalsContact C-N 3.35Å; K150-I152 PolarHBondContact O-N 3.26Å; I152-K155 PolarHBondContact O-N 2.84Å; I152-K156 PolarHBondContact O-N 3.21Å
153Q92.9Very high90.6Very high118 Ų11897.8 Ų97.855%0.55147%0.469SS*.Hα-helixtrans-60.9-50.3176.5-72.5179.910.100111A149 K150 K155 K156 E157A149-Q153 WeakPolarHBondContact O-CB 3.43Å; A149-Q153 VanDerWaalsContact O-CG 3.3Å; A149-Q153 WeakPolarHBondContact O-CG 3.38Å; A149-Q153 PolarHBondContact O-N 2.77Å; K150-Q153 PolarHBondContact O-N 3.47Å; Q153-K155 VanDerWaalsContact C-N 3.25Å; Q153-K155 PolarHBondContact O-N 2.99Å; Q153-K156 CarbonylContact O-C 3.54Å; Q153-K156 WeakPolarHBondContact O-CA 3.4Å; Q153-K156 WeakPolarHBondContact O-CB 3.18Å; Q153-K156 PolarHBondContact O-N 2.75Å; Q153-E157 WeakPolarHBondContact O-CG 3.49Å; Q153-E157 PolarHBondContact O-N 2.9Å
154A93.3Very high91.2Very high37 Ų3796.1 Ų96.131%0.30645%0.454SS..Hα-helixtrans-58.4-35.8176.500000112.6K150 R158K150-A154 VanDerWaalsContact O-CB 3.3Å; K150-A154 WeakPolarHBondContact O-CB 3.47Å; K150-A154 PolarHBondContact O-N 3.12Å; A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 WeakPolarHBondContact O-CG 3.46Å; A154-R158 PolarHBondContact O-N 2.98Å; A154-R158 PolarHBondContact O-NE 3.13Å
155K92.3Very high91.6Very high58 Ų5890.2 Ų90.225%0.25243%0.434SS..Hα-helixtrans-69.7-37.2173.4-173.3179.8179.3177.90112.2L151 I152 Q153 R159L151-K155 WeakPolarHBondContact O-CB 3.41Å; L151-K155 PolarHBondContact O-N 3.19Å; I152-K155 PolarHBondContact O-N 2.84Å; Q153-K155 VanDerWaalsContact C-N 3.25Å; Q153-K155 PolarHBondContact O-N 2.99Å; K155-R159 WeakPolarHBondContact O-CG 3.33Å; K155-R159 PolarHBondContact O-N 3.13Å; K155-R159 PolarHBondContact O-NE 2.96Å
156K95Very high91.9Very high155 Ų15593.3 Ų93.367%0.67444%0.443SS*.Hα-helixtrans-65.4-44.7174.9-172-179.2178.3-176.80110.4I152 Q153 R159 A160I152-K156 PolarHBondContact O-N 3.21Å; Q153-K156 CarbonylContact O-C 3.54Å; Q153-K156 WeakPolarHBondContact O-CA 3.4Å; Q153-K156 WeakPolarHBondContact O-CB 3.18Å; Q153-K156 PolarHBondContact O-N 2.75Å; K156-R159 WeakPolarHBondContact O-CB 3.48Å; K156-R159 PolarHBondContact O-N 3.18Å; K156-A160 WeakPolarHBondContact O-CB 3.32Å; K156-A160 PolarHBondContact O-N 2.86Å
157E96.2Very high91.9Very high129 Ų12990 Ų9060%0.60343%0.425SS*.Hα-helixtrans-62.3-45.5176.6-71.2179.7176.100112.7Q153 R159 A160 K161Q153-E157 WeakPolarHBondContact O-CG 3.49Å; Q153-E157 PolarHBondContact O-N 2.9Å; E157-R159 VanDerWaalsContact C-N 3.28Å; E157-R159 PolarHBondContact O-N 3.01Å; E157-A160 PolarHBondContact O-N 2.88Å; E157-K161 WeakPolarHBondContact O-CB 3.43Å; E157-K161 PolarHBondContact O-N 3.02Å
158R95.6Very high91.8Very high171 Ų17193.6 Ų93.665%0.64544%0.438SS*.Hα-helixtrans-58.8-40.9175.3-77.4-176.7-67.4137.1-9.2112.2A154 N162A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 WeakPolarHBondContact O-CG 3.46Å; A154-R158 PolarHBondContact O-N 2.98Å; A154-R158 PolarHBondContact O-NE 3.13Å; R158-N162 WeakPolarHBondContact O-CB 3.38Å; R158-N162 PolarHBondContact O-N 3.48Å
159R95Very high91.7Very high152 Ų15292.2 Ų92.257%0.57443%0.433SS*.Hα-helixtrans-65-46.9175-77.3-175.8-84.4-179.2-2.5111.5K155 K156 E157 K161 N162 E163K155-R159 WeakPolarHBondContact O-CG 3.33Å; K155-R159 PolarHBondContact O-N 3.13Å; K155-R159 PolarHBondContact O-NE 2.96Å; K156-R159 WeakPolarHBondContact O-CB 3.48Å; K156-R159 PolarHBondContact O-N 3.18Å; E157-R159 VanDerWaalsContact C-N 3.28Å; E157-R159 PolarHBondContact O-N 3.01Å; R159-K161 PolarHBondContact O-N 3.04Å; R159-N162 PolarHBondContact O-N 3.19Å; R159-E163 PolarHBondContact O-N 3.18Å
160A93.7Very high91.5Very high59 Ų5993.4 Ų93.449%0.48843%0.434SS..Hα-helixtrans-61.3-42.5177.300000112.2K156 E157 N162 E163 L164K156-A160 WeakPolarHBondContact O-CB 3.32Å; K156-A160 PolarHBondContact O-N 2.86Å; E157-A160 PolarHBondContact O-N 2.88Å; A160-N162 PolarHBondContact O-N 2.93Å; A160-E163 PolarHBondContact O-N 3.47Å; A160-L164 WeakPolarHBondContact O-CB 3.28Å; A160-L164 PolarHBondContact O-N 3.32Å
161K94.6Very high91.1Very high139 Ų13990 Ų9060%0.60442%0.422SS*.Hα-helixtrans-62.1-41.1175.4-174.7175.3-177.8174.80111.9E157 R159 L164 Q165E157-K161 WeakPolarHBondContact O-CB 3.43Å; E157-K161 PolarHBondContact O-N 3.02Å; R159-K161 PolarHBondContact O-N 3.04Å; K161-L164 PolarHBondContact O-N 3.45Å; K161-Q165 WeakPolarHBondContact O-CB 3.06Å; K161-Q165 VanDerWaalsContact O-CG 3.28Å; K161-Q165 WeakPolarHBondContact O-CG 3.12Å; K161-Q165 PolarHBondContact O-N 3.25Å
162N94.5Very high90.6Very high102 Ų10290.6 Ų90.655%0.54542%0.419SS..Hα-helixtrans-64-46.1176.1-172.4-82.4000111.5R158 R159 A160 L164 Q165 R166R158-N162 WeakPolarHBondContact O-CB 3.38Å; R158-N162 PolarHBondContact O-N 3.48Å; R159-N162 PolarHBondContact O-N 3.19Å; A160-N162 PolarHBondContact O-N 2.93Å; N162-L164 VanDerWaalsContact C-N 3.34Å; N162-L164 PolarHBondContact O-N 3.37Å; N162-Q165 WeakPolarHBondContact O-CB 3.36Å; N162-Q165 PolarHBondContact O-N 3.45Å; N162-R166 PolarHBondContact O-N 2.98Å
163E92.5Very high89.9Confident75 Ų7589.2 Ų89.235%0.3542%0.415SS..Hα-helixtrans-64.1-40.4177.8-172.857.7-155.800111.6R159 A160 Q165 R166 L167R159-E163 PolarHBondContact O-N 3.18Å; A160-E163 PolarHBondContact O-N 3.47Å; E163-Q165 VanDerWaalsContact C-N 3.34Å; E163-Q165 PolarHBondContact O-N 3.24Å; E163-R166 WeakPolarHBondContact O-CB 3.28Å; E163-R166 PolarHBondContact O-N 3.29Å; E163-R166 IonicContact OE1-CZ 3.36Å; E163-R166 IonicContact OE1-NH1 3.88Å; E163-R166 PolarHBondContact OE1-NH1 2.86Å; E163-R166 WeakPolarHBondContact OE2-CD 3.24Å; E163-R166 IonicContact OE2-NH1 2.79Å; E163-R166 PolarHBondContact OE2-NH1 2.86Å; E163-L167 HydrophobicContact CG-CD1 4.48Å; E163-L167 WeakPolarHBondContact O-CG 3.33Å; E163-L167 PolarHBondContact O-N 3.48Å
164L90.1Very high89Confident68 Ų6885.4 Ų85.436%0.35640%0.4SS..Hα-helixtrans-59.9-45.3174-167163.1000111.1A160 K161 N162 R166 L167 R168A160-L164 WeakPolarHBondContact O-CB 3.28Å; A160-L164 PolarHBondContact O-N 3.32Å; K161-L164 PolarHBondContact O-N 3.45Å; N162-L164 VanDerWaalsContact C-N 3.34Å; N162-L164 PolarHBondContact O-N 3.37Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 3.07Å; L164-L167 PolarHBondContact O-N 3.28Å; L164-R168 HydrophobicContact CD2-CG 3.95Å; L164-R168 WeakPolarHBondContact O-CG 3.36Å; L164-R168 PolarHBondContact O-N 3.42Å
165Q90.5Very high87.7Confident91 Ų9192.2 Ų92.243%0.42542%0.423SS..Hα-helixtrans-63.2-38.9175.7-73.8175-2.100112.3K161 N162 E163 R168 N169K161-Q165 WeakPolarHBondContact O-CB 3.06Å; K161-Q165 VanDerWaalsContact O-CG 3.28Å; K161-Q165 WeakPolarHBondContact O-CG 3.12Å; K161-Q165 PolarHBondContact O-N 3.25Å; N162-Q165 WeakPolarHBondContact O-CB 3.36Å; N162-Q165 PolarHBondContact O-N 3.45Å; E163-Q165 VanDerWaalsContact C-N 3.34Å; E163-Q165 PolarHBondContact O-N 3.24Å; Q165-R168 PolarHBondContact O-N 2.91Å; Q165-N169 VanDerWaalsContact O-CG 3.29Å; Q165-N169 PolarHBondContact O-N 2.95Å; Q165-N169 PolarHBondContact O-ND2 2.99Å
166R89.3Confident86Confident137 Ų13794.7 Ų94.752%0.51745%0.454SS..Hα-helixtrans-59.8-49.4173.4180-170.3171.7-142.51.6110.8N162 E163 L164 R168 N169 I170N162-R166 PolarHBondContact O-N 2.98Å; E163-R166 WeakPolarHBondContact O-CB 3.28Å; E163-R166 PolarHBondContact O-N 3.29Å; E163-R166 IonicContact OE1-CZ 3.36Å; E163-R166 IonicContact OE1-NH1 3.88Å; E163-R166 PolarHBondContact OE1-NH1 2.86Å; E163-R166 WeakPolarHBondContact OE2-CD 3.24Å; E163-R166 IonicContact OE2-NH1 2.79Å; E163-R166 PolarHBondContact OE2-NH1 2.86Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 3.07Å; R166-R168 PolarHBondContact O-N 2.88Å; R166-N169 PolarHBondContact O-N 2.8Å; R166-I170 HydrophobicContact CG-CD1 4.07Å; R166-I170 WeakPolarHBondContact O-CG1 3.3Å; R166-I170 PolarHBondContact O-N 3.34Å
167L87.6Confident84.2Confident24 Ų2491 Ų9113%0.12646%0.46CS..Hα-helixtrans-62.2-40.5176.9-68.5174.3000112.1E163 L164 N169 I170 A171 P180 I182 V184E163-L167 HydrophobicContact CG-CD1 4.48Å; E163-L167 WeakPolarHBondContact O-CG 3.33Å; E163-L167 PolarHBondContact O-N 3.48Å; L164-L167 PolarHBondContact O-N 3.28Å; L167-N169 VanDerWaalsContact C-N 3.33Å; L167-N169 PolarHBondContact O-N 2.81Å; L167-I170 PolarHBondContact O-N 3.2Å; L167-A171 WeakPolarHBondContact O-CB 3.41Å; L167-A171 PolarHBondContact O-N 3.48Å; L167-P180 HydrophobicContact CD2-CG 4.05Å; L167-I182 HydrophobicContact CD1-CB 4.34Å; L167-I182 HydrophobicContact CD1-CD1 4.2Å; L167-I182 HydrophobicContact CD1-CG2 3.91Å; L167-V184 HydrophobicContact CB-CG2 3.99Å; L167-V184 HydrophobicContact CD1-CG2 4.39Å
168R84.9Confident82.5Confident100 Ų10092.5 Ų92.538%0.37747%0.467SS..Hα-helixtrans-59.5-42.3172.9-81-177.3177.2155.95.4112.2L164 Q165 R166 R172 V184L164-R168 HydrophobicContact CD2-CG 3.95Å; L164-R168 WeakPolarHBondContact O-CG 3.36Å; L164-R168 PolarHBondContact O-N 3.42Å; Q165-R168 PolarHBondContact O-N 2.91Å; R166-R168 PolarHBondContact O-N 2.88Å; R168-R172 WeakPolarHBondContact O-CG 3.48Å; R168-R172 PolarHBondContact O-N 2.96Å; R168-V184 HydrophobicContact CB-CG1 4.04Å; R168-V184 HydrophobicContact CG-CG1 3.14Å
169N87.7Confident80.6Confident36 Ų3686.1 Ų86.119%0.19345%0.451CS..Hα-helixtrans-66.8-43.9177.4-71-32000111R90 Q165 R166 L167 A171 R172 T173R90-N169 PolarHBondContact N-OD1 3.26Å; Q165-N169 VanDerWaalsContact O-CG 3.29Å; Q165-N169 PolarHBondContact O-N 2.95Å; Q165-N169 PolarHBondContact O-ND2 2.99Å; R166-N169 PolarHBondContact O-N 2.8Å; L167-N169 VanDerWaalsContact C-N 3.33Å; L167-N169 PolarHBondContact O-N 2.81Å; N169-A171 PolarHBondContact O-N 3.03Å; N169-R172 PolarHBondContact O-N 2.81Å; N169-T173 WeakPolarHBondContact O-CG2 3.33Å; N169-T173 PolarHBondContact O-N 3.24Å
170I84.8Confident78.7Confident57 Ų5781.2 Ų81.229%0.29244%0.439SS..Hα-helixtrans-59.9-47.9175.8-66.6166.1000110.5R166 L167 R172 T173 V174 P180R166-I170 HydrophobicContact CG-CD1 4.07Å; R166-I170 WeakPolarHBondContact O-CG1 3.3Å; R166-I170 PolarHBondContact O-N 3.34Å; L167-I170 PolarHBondContact O-N 3.2Å; I170-R172 PolarHBondContact O-N 3.45Å; I170-T173 PolarHBondContact O-N 2.85Å; I170-T173 PolarHBondContact O-OG1 2.97Å; I170-V174 HydrophobicContact CG2-CG2 4.06Å; I170-V174 WeakPolarHBondContact O-CG2 3.5Å; I170-V174 PolarHBondContact O-N 3.23Å; I170-V174 VanDerWaalsContact O-N 3.12Å; I170-P180 HydrophobicContact CG2-CG 4.36Å
171A81.8Confident76.9Confident12 Ų1282.5 Ų82.510%0.09944%0.442CS..Hα-helixtrans-59.5-29.1-179.900000113.4L167 N169 A179 T186L167-A171 WeakPolarHBondContact O-CB 3.41Å; L167-A171 PolarHBondContact O-N 3.48Å; N169-A171 PolarHBondContact O-N 3.03Å; A171-A179 HydrophobicContact CB-CB 4.36Å; A171-T186 HydrophobicContact CB-CG2 4.17Å
172R78.8Confident75Confident84 Ų8480.8 Ų80.832%0.31744%0.438SS..Hα-helixtrans-71.9-33.9174.2-71.8169.6-176.3171.3-5.3113.1R168 N169 I170 E187R168-R172 WeakPolarHBondContact O-CG 3.48Å; R168-R172 PolarHBondContact O-N 2.96Å; N169-R172 PolarHBondContact O-N 2.81Å; I170-R172 PolarHBondContact O-N 3.45Å; R172-E187 IonicContact CZ-OE2 3.83Å; R172-E187 IonicContact NH2-OE2 2.85Å; R172-E187 PolarHBondContact NH2-OE2 3.4Å
173T77.3Confident73.2Confident69 Ų6978.2 Ų78.242%0.42344%0.436SS..Hα-helixtrans-82.2-26.1-177.863.70000113.7E87 N169 I170E87-T173 HydrophobicContact CB-CG2 3.96Å; E87-T173 HydrophobicContact CG-CG2 4.46Å; N169-T173 WeakPolarHBondContact O-CG2 3.33Å; N169-T173 PolarHBondContact O-N 3.24Å; I170-T173 PolarHBondContact O-N 2.85Å; I170-T173 PolarHBondContact O-OG1 2.97Å
174V72.8Confident71.7Confident38 Ų3876 Ų7623%0.2343%0.428CS..SBendtrans-90.7130.8-175.6-179.60000109.4I170 Q178 A179I170-V174 HydrophobicContact CG2-CG2 4.06Å; I170-V174 WeakPolarHBondContact O-CG2 3.5Å; I170-V174 PolarHBondContact O-N 3.23Å; I170-V174 VanDerWaalsContact O-N 3.12Å; V174-Q178 HydrophobicContact CG1-CB 3.48Å; V174-Q178 VanDerWaalsContact CG1-CB 3.48Å; V174-Q178 HydrophobicContact CG1-CG 3.98Å; V174-A179 HydrophobicContact CB-CB 4.49Å
175K66.6Low70.3Confident180 Ų18075.8 Ų75.878%0.78343%0.427SS*.  trans-52.8142.6176.2-69.1-176.8178.4-175.90110.8G177 Q178K175-G177 PolarHBondContact O-N 3.43Å; K175-Q178 PolarHBondContact O-N 3.49Å; K175-Q178 VanDerWaalsContact O-N 3.13Å
176A57.3Low68.7Low110 Ų11073.7 Ų73.791%0.90942%0.42SS*.THydrogen-bonded Turntrans-48.6111.7178.100000110.6
177G56.6Low67.4Low78 Ų7873.4 Ų73.480%0.80443%0.425SS*.THydrogen-bonded Turntrans122.5-21.8-179.300000116.3K175K175-G177 PolarHBondContact O-N 3.43Å
178Q59.9Low65.8Low160 Ų16076.7 Ų76.775%0.74845%0.45SS*.  trans-108.80.7-178.9-171.2177.76.300113.4V174 K175V174-Q178 HydrophobicContact CG1-CB 3.48Å; V174-Q178 VanDerWaalsContact CG1-CB 3.48Å; V174-Q178 HydrophobicContact CG1-CG 3.98Å; K175-Q178 PolarHBondContact O-N 3.49Å; K175-Q178 VanDerWaalsContact O-N 3.13Å
179A55.9Low64.4Low38 Ų3879.4 Ų79.431%0.31447%0.466SS..SBendtrans-67.7148.5178.700000111.9A171 V174A171-A179 HydrophobicContact CB-CB 4.36Å; V174-A179 HydrophobicContact CB-CB 4.49Å
180P55.6Low63Low49 Ų4980.9 Ų80.932%0.31848%0.48SS..  trans-56.9137.917921.4-31.7000111.1L167 I170 I182L167-P180 HydrophobicContact CD2-CG 4.05Å; I170-P180 HydrophobicContact CG2-CG 4.36Å; P180-I182 PolarHBondContact O-N 2.88Å
181P55.7Low62.2Low85 Ų8580.1 Ų80.155%0.55248%0.479SS*.SBendtrans-79.543.6-169.735.5-38.9000113
182I55.3Low61.9Low103 Ų10386.1 Ų86.153%0.52850%0.503SS..SBendtrans-108132.1174.8-71.2157.1000105.4L167 P180 V184L167-I182 HydrophobicContact CD1-CB 4.34Å; L167-I182 HydrophobicContact CD1-CD1 4.2Å; L167-I182 HydrophobicContact CD1-CG2 3.91Å; P180-I182 PolarHBondContact O-N 2.88Å; I182-V184 HydrophobicContact CG2-CG2 4.2Å; I182-V184 PolarHBondContact O-N 2.62Å
183G56.5Low61.7Low48 Ų4886.9 Ų86.950%0.49552%0.517SS..SBendtrans-57.642.1-166.300000117.8L185G183-L185 PolarHBondContact O-N 2.84Å
184V59.9Low61.4Low29 Ų2986.8 Ų86.818%0.17651%0.512CS..  trans-88.486175.8-1770000106.7L167 R168 I182 T186L167-V184 HydrophobicContact CB-CG2 3.99Å; L167-V184 HydrophobicContact CD1-CG2 4.39Å; R168-V184 HydrophobicContact CB-CG1 4.04Å; R168-V184 HydrophobicContact CG-CG1 3.14Å; I182-V184 HydrophobicContact CG2-CG2 4.2Å; I182-V184 PolarHBondContact O-N 2.62Å; V184-T186 PolarHBondContact O-N 2.9Å
185L61.4Low61.6Low64 Ų6488.8 Ų88.834%0.33552%0.521SS..  trans-61132.5171.1-62169.6000108.8G183 E194 L195 A198G183-L185 PolarHBondContact O-N 2.84Å; L185-E194 HydrophobicContact CD2-CB 3.89Å; L185-L195 HydrophobicContact CD1-CD2 3.84Å; L185-A198 HydrophobicContact CD2-CB 4.35Å
186T58Low62.2Low47 Ų4783.5 Ų83.529%0.28851%0.507SS..  trans-72.7133.7170.267.60000108.1A171 V184 S188A171-T186 HydrophobicContact CB-CG2 4.17Å; V184-T186 PolarHBondContact O-N 2.9Å; T186-S188 PolarHBondContact O-N 3.42Å
187E60.2Low63Low131 Ų13185.5 Ų85.561%0.61249%0.491SS*.THydrogen-bonded Turntrans-59.4-15.2-170.5-75.9158.9156.900113.9R90 R172R90-E187 IonicContact NH1-OE1 2.79Å; R172-E187 IonicContact CZ-OE2 3.83Å; R172-E187 IonicContact NH2-OE2 2.85Å; R172-E187 PolarHBondContact NH2-OE2 3.4Å
188S55.4Low64Low93 Ų9382.9 Ų82.965%0.6546%0.462SS*.THydrogen-bonded Turntrans-99.9-22-164.550.70000116.6T186T186-S188 PolarHBondContact O-N 3.42Å
189Q54Low65.1Low156 Ų15678.2 Ų78.273%0.72944%0.439SS*.  trans-16188.9176.8-72-59-51.900110.4S191Q189-S191 PolarHBondContact O-N 3Å
190S59Low66.2Low68 Ų6878.6 Ų78.648%0.47644%0.443SS..  trans-71.793173.460.10000109.5
191S68.2Low67.4Low40 Ų4078.9 Ų78.928%0.2844%0.441SS..  trans-60.4145.5174.464.70000109.6Q189 T193 E194 L195Q189-S191 PolarHBondContact O-N 3Å; S191-T193 PolarHBondContact O-N 3.49Å; S191-T193 PolarHBondContact OG-OG1 2.82Å; S191-E194 WeakPolarHBondContact O-CA 3.36Å; S191-E194 WeakPolarHBondContact O-CB 3.46Å; S191-E194 PolarHBondContact O-N 2.86Å; S191-E194 WeakPolarHBondContact OG-CB 3.49Å; S191-E194 WeakPolarHBondContact OG-CG 3.49Å; S191-E194 PolarHBondContact OG-N 2.99Å; S191-E194 PolarHBondContact OG-OE1 2.78Å; S191-L195 PolarHBondContact O-N 2.72Å
192K76.2Confident68.7Low138 Ų13878 Ų7860%0.644%0.441SS*.Hα-helixtrans-51.9-34.9176.9-179.5175.1-177.7166.40111.9S196K192-S196 WeakPolarHBondContact O-CB 3.48Å; K192-S196 PolarHBondContact O-N 3.22Å; K192-S196 PolarHBondContact O-OG 2.95Å
193T74.3Confident70Confident100 Ų10076.5 Ų76.561%0.61343%0.431SS*.Hα-helixtrans-65-45175.543.70000112S191 S196 R197S191-T193 PolarHBondContact O-N 3.49Å; S191-T193 PolarHBondContact OG-OG1 2.82Å; T193-S196 WeakPolarHBondContact CA-OG 3.28Å; T193-S196 PolarHBondContact O-N 2.76Å; T193-S196 PolarHBondContact O-OG 3.41Å; T193-R197 WeakPolarHBondContact O-CB 3.44Å; T193-R197 PolarHBondContact O-N 2.99Å
194E70.6Confident71.1Confident67 Ų6778.5 Ų78.531%0.31343%0.431SS..Hα-helixtrans-63.1-44.1175.3-79.6162.5-126.200112.5L185 S191 S196 R197 A198L185-E194 HydrophobicContact CD2-CB 3.89Å; S191-E194 WeakPolarHBondContact O-CA 3.36Å; S191-E194 WeakPolarHBondContact O-CB 3.46Å; S191-E194 PolarHBondContact O-N 2.86Å; S191-E194 WeakPolarHBondContact OG-CB 3.49Å; S191-E194 WeakPolarHBondContact OG-CG 3.49Å; S191-E194 PolarHBondContact OG-N 2.99Å; S191-E194 PolarHBondContact OG-OE1 2.78Å; E194-S196 PolarHBondContact O-N 2.85Å; E194-R197 PolarHBondContact O-N 3.01Å; E194-A198 WeakPolarHBondContact O-CB 3.35Å; E194-A198 PolarHBondContact O-N 2.84Å
195L76.2Confident72.1Confident80 Ų8081.2 Ų81.242%0.41945%0.451SS..Hα-helixtrans-62.7-43.4177-69.1175.5000111.6L185 S191 R197 A198 F199L185-L195 HydrophobicContact CD1-CD2 3.84Å; S191-L195 PolarHBondContact O-N 2.72Å; L195-R197 VanDerWaalsContact C-N 3.3Å; L195-R197 PolarHBondContact O-N 2.96Å; L195-A198 PolarHBondContact O-N 2.89Å; L195-F199 VanDerWaalsContact O-CB 3.28Å; L195-F199 WeakPolarHBondContact O-CB 3.13Å; L195-F199 PolarHBondContact O-N 2.89Å
196S79.5Confident73.1Confident70 Ų7082 Ų8249%0.4946%0.455SS..Hα-helixtrans-63.6-35.7175.970.40000112.6K192 T193 E194 A200K192-S196 WeakPolarHBondContact O-CB 3.48Å; K192-S196 PolarHBondContact O-N 3.22Å; K192-S196 PolarHBondContact O-OG 2.95Å; T193-S196 WeakPolarHBondContact CA-OG 3.28Å; T193-S196 PolarHBondContact O-N 2.76Å; T193-S196 PolarHBondContact O-OG 3.41Å; E194-S196 PolarHBondContact O-N 2.85Å; S196-A200 PolarHBondContact O-N 2.92Å
197R75.1Confident74.3Confident151 Ų15184.9 Ų84.957%0.5748%0.484SS*.Hα-helixtrans-71.7-44.3177.1-170.8-179.3-168.7170.34.4111.4T193 E194 L195 F199 A200 I201T193-R197 WeakPolarHBondContact O-CB 3.44Å; T193-R197 PolarHBondContact O-N 2.99Å; E194-R197 PolarHBondContact O-N 3.01Å; L195-R197 VanDerWaalsContact C-N 3.3Å; L195-R197 PolarHBondContact O-N 2.96Å; R197-F199 VanDerWaalsContact C-N 3.26Å; R197-F199 PolarHBondContact O-N 3.31Å; R197-A200 PolarHBondContact O-N 3.48Å; R197-I201 HydrophobicContact CG-CD1 4.14Å; R197-I201 VanDerWaalsContact O-CG1 3.28Å; R197-I201 WeakPolarHBondContact O-CG1 3.35Å; R197-I201 PolarHBondContact O-N 3.39Å
198A77.6Confident75.5Confident24 Ų2479.6 Ų79.620%0.19846%0.462CS..Hα-helixtrans-60.6-40.4175.500000110.9L185 E194 L195 I201 A202L185-A198 HydrophobicContact CD2-CB 4.35Å; E194-A198 WeakPolarHBondContact O-CB 3.35Å; E194-A198 PolarHBondContact O-N 2.84Å; L195-A198 PolarHBondContact O-N 2.89Å; A198-I201 PolarHBondContact O-N 3.17Å; A198-A202 WeakPolarHBondContact O-CB 3.44Å; A198-A202 PolarHBondContact O-N 3.21Å
199F81.8Confident76.8Confident62 Ų6281.4 Ų81.427%0.27246%0.461SS..Hα-helixtrans-61.7-48.5174.8-177-103.7000112.4L195 R197 I201 A202 Q203 V216 L221L195-F199 VanDerWaalsContact O-CB 3.28Å; L195-F199 WeakPolarHBondContact O-CB 3.13Å; L195-F199 PolarHBondContact O-N 2.89Å; R197-F199 VanDerWaalsContact C-N 3.26Å; R197-F199 PolarHBondContact O-N 3.31Å; F199-I201 VanDerWaalsContact C-N 3.31Å; F199-I201 PolarHBondContact O-N 3.42Å; F199-A202 PolarHBondContact O-N 3.36Å; F199-Q203 VanDerWaalsContact CE1-CD 3.47Å; F199-Q203 HydrophobicContact CE1-CG 4.19Å; F199-Q203 HydrophobicContact CZ-CG 4.27Å; F199-Q203 VanDerWaalsContact CZ-NE2 3.26Å; F199-Q203 WeakPolarHBondContact O-CG 3.43Å; F199-Q203 PolarHBondContact O-N 3.02Å; F199-V216 HydrophobicContact CE2-CB 4.16Å; F199-V216 HydrophobicContact CE2-CG1 3.79Å; F199-V216 HydrophobicContact CE2-CG2 4.1Å; F199-V216 HydrophobicContact CZ-CB 3.75Å; F199-V216 HydrophobicContact CZ-CG1 3.68Å; F199-V216 HydrophobicContact CZ-CG2 4.03Å; F199-L221 HydrophobicContact CE1-CD1 3.83Å; F199-L221 HydrophobicContact CE2-CD1 4.28Å; F199-L221 HydrophobicContact CZ-CD1 3.69Å
200A80.1Confident78Confident46 Ų4675.1 Ų75.138%0.3844%0.439SS..Hα-helixtrans-61.5-39.1176.600000112.5S196 R197 N204S196-A200 PolarHBondContact O-N 2.92Å; R197-A200 PolarHBondContact O-N 3.48Å; A200-N204 PolarHBondContact O-N 3.26Å
201I80.3Confident79Confident55 Ų5582.2 Ų82.228%0.28246%0.455SS..Hα-helixtrans-63.5-47.6174.2-68164.5000109.9R197 A198 F199 Q203 N204 S205R197-I201 HydrophobicContact CG-CD1 4.14Å; R197-I201 VanDerWaalsContact O-CG1 3.28Å; R197-I201 WeakPolarHBondContact O-CG1 3.35Å; R197-I201 PolarHBondContact O-N 3.39Å; A198-I201 PolarHBondContact O-N 3.17Å; F199-I201 VanDerWaalsContact C-N 3.31Å; F199-I201 PolarHBondContact O-N 3.42Å; I201-Q203 VanDerWaalsContact C-N 3.32Å; I201-Q203 PolarHBondContact O-N 3.01Å; I201-N204 PolarHBondContact O-N 2.79Å; I201-N204 VanDerWaalsContact O-N 3.11Å; I201-S205 WeakPolarHBondContact CG2-OG 3.3Å; I201-S205 WeakPolarHBondContact O-CB 3.42Å; I201-S205 PolarHBondContact O-N 3.19Å; I201-S205 PolarHBondContact O-OG 2.88Å
202A83Confident79.7Confident66 Ų6689 Ų8955%0.54548%0.48SS..Hα-helixtrans-60.5-39.3-178.800000112.6A198 F199 N204 S205A198-A202 WeakPolarHBondContact O-CB 3.44Å; A198-A202 PolarHBondContact O-N 3.21Å; F199-A202 PolarHBondContact O-N 3.36Å; A202-N204 VanDerWaalsContact C-N 3.25Å; A202-N204 PolarHBondContact O-N 2.88Å; A202-S205 PolarHBondContact O-N 3.46Å
203Q82.7Confident80Confident72 Ų7284.8 Ų84.834%0.33647%0.468SS..Hα-helixtrans-59.2-35.7175.5-75-174.6-34.600112.9F199 I201 G210F199-Q203 VanDerWaalsContact CE1-CD 3.47Å; F199-Q203 HydrophobicContact CE1-CG 4.19Å; F199-Q203 HydrophobicContact CZ-CG 4.27Å; F199-Q203 VanDerWaalsContact CZ-NE2 3.26Å; F199-Q203 WeakPolarHBondContact O-CG 3.43Å; F199-Q203 PolarHBondContact O-N 3.02Å; I201-Q203 VanDerWaalsContact C-N 3.32Å; I201-Q203 PolarHBondContact O-N 3.01Å; Q203-G210 WeakPolarHBondContact O-CA 3.47Å
204N80.4Confident80.4Confident90 Ų9084 Ų8448%0.48147%0.472SS..Hα-helixtrans-96.9-5.5-176.1-65.41.9000113.6A200 I201 A202 D206 M209A200-N204 PolarHBondContact O-N 3.26Å; I201-N204 PolarHBondContact O-N 2.79Å; I201-N204 VanDerWaalsContact O-N 3.11Å; A202-N204 VanDerWaalsContact C-N 3.25Å; A202-N204 PolarHBondContact O-N 2.88Å; N204-D206 VanDerWaalsContact C-N 3.32Å; N204-M209 HydrophobicContact CB-CE 4.2Å; N204-M209 WeakPolarHBondContact O-CE 3.34Å
205S81.1Confident80.8Confident86 Ų8686.8 Ų86.860%0.60150%0.496SS*.  trans-85.6-2.5-172.4-65.90000114.1I201 A202I201-S205 WeakPolarHBondContact CG2-OG 3.3Å; I201-S205 WeakPolarHBondContact O-CB 3.42Å; I201-S205 PolarHBondContact O-N 3.19Å; I201-S205 PolarHBondContact O-OG 2.88Å; A202-S205 PolarHBondContact O-N 3.46Å
206D81.2Confident80.7Confident79 Ų7986.3 Ų86.342%0.42250%0.496SS..SBendtrans-71.8153.5171-175.330.2000110.7N204 S208 M209N204-D206 VanDerWaalsContact C-N 3.32Å; D206-S208 PolarHBondContact O-N 2.98Å; D206-S208 PolarHBondContact OD2-OG 3.41Å; D206-M209 PolarHBondContact O-N 3.03Å
207A84Confident80.3Confident108 Ų10887.6 Ų87.689%0.89350%0.497SS*.THydrogen-bonded Turntrans-56.5-26.3178.300000112.4M209A207-M209 VanDerWaalsContact C-N 3.34Å
208S85.7Confident79.8Confident21 Ų2185.3 Ų85.315%0.14750%0.496CS..THydrogen-bonded Turntrans-86.35.3176.274.80000115.1D206 G210 R211 F212D206-S208 PolarHBondContact O-N 2.98Å; D206-S208 PolarHBondContact OD2-OG 3.41Å; S208-G210 PolarHBondContact O-N 3.44Å; S208-R211 VanDerWaalsContact O-CB 3.28Å; S208-R211 WeakPolarHBondContact O-CB 3.49Å; S208-R211 VanDerWaalsContact O-CG 3.3Å; S208-R211 WeakPolarHBondContact O-CG 3.36Å; S208-R211 PolarHBondContact O-N 3.38Å; S208-R211 VanDerWaalsContact O-N 3.1Å; S208-R211 PolarHBondContact OG-N 2.95Å; S208-F212 PolarHBondContact OG-N 3.3Å
209M81.4Confident78.6Confident130 Ų13093.8 Ų93.864%0.6452%0.523SS*.THydrogen-bonded Turntrans52.733.2-171.2-62.5-133.172.500113.6N204 D206 A207N204-M209 HydrophobicContact CB-CE 4.2Å; N204-M209 WeakPolarHBondContact O-CE 3.34Å; D206-M209 PolarHBondContact O-N 3.03Å; A207-M209 VanDerWaalsContact C-N 3.34Å
210G78.9Confident77.3Confident25 Ų25100 Ų10026%0.25855%0.55SS..THydrogen-bonded Turntrans81.59.9179.700000114.8Q203 S208 S213Q203-G210 WeakPolarHBondContact O-CA 3.47Å; S208-G210 PolarHBondContact O-N 3.44Å; G210-S213 WeakPolarHBondContact CA-OG 3.47Å; G210-S213 PolarHBondContact O-OG 3.23Å; G210-S213 VanDerWaalsContact O-OG 3.07Å
211R81.4Confident75.9Confident216 Ų216102 Ų10282%0.81555%0.554SS**SBendtrans-72.3-35.5178.9-73.3-174.2150.8-160.2-6.8113.5S208S208-R211 VanDerWaalsContact O-CB 3.28Å; S208-R211 WeakPolarHBondContact O-CB 3.49Å; S208-R211 VanDerWaalsContact O-CG 3.3Å; S208-R211 WeakPolarHBondContact O-CG 3.36Å; S208-R211 PolarHBondContact O-N 3.38Å; S208-R211 VanDerWaalsContact O-N 3.1Å; S208-R211 PolarHBondContact OG-N 2.95Å
212F83.1Confident74.3Confident182 Ų182102.8 Ų102.880%0.79856%0.564SS**SBendtrans-108.6-2.3-178.3-57.3-61.1000113.2S208S208-F212 PolarHBondContact OG-N 3.3Å
213S81.9Confident72.5Confident50 Ų50105.7 Ų105.735%0.3557%0.565SS.*SBendtrans-72135.2174.255.10000110.6G210G210-S213 WeakPolarHBondContact CA-OG 3.47Å; G210-S213 PolarHBondContact O-OG 3.23Å; G210-S213 VanDerWaalsContact O-OG 3.07Å
214A83.1Confident70.8Confident84 Ų84109.7 Ų109.769%0.69459%0.588SS**PPolyproline II helixtrans-54.3132175.100000110.4V216A214-V216 PolarHBondContact O-N 3.1Å; A214-V216 VanDerWaalsContact O-N 3.15Å
215P78Confident69Low126 Ų126109.4 Ų109.482%0.81859%0.59SS**PPolyproline II helixtrans-61123.1179.824.5-32.6000109.1D217P215-D217 PolarHBondContact O-N 3.08Å
216V74.7Confident67.1Low70 Ų70112.2 Ų112.242%0.42459%0.593SS.*PPolyproline II helixtrans-68.2128.5176.9-177.50000108.8F199 A214 N218F199-V216 HydrophobicContact CE2-CB 4.16Å; F199-V216 HydrophobicContact CE2-CG1 3.79Å; F199-V216 HydrophobicContact CE2-CG2 4.1Å; F199-V216 HydrophobicContact CZ-CB 3.75Å; F199-V216 HydrophobicContact CZ-CG1 3.68Å; F199-V216 HydrophobicContact CZ-CG2 4.03Å; A214-V216 PolarHBondContact O-N 3.1Å; A214-V216 VanDerWaalsContact O-N 3.15Å; V216-N218 PolarHBondContact O-N 3.14Å; V216-N218 PolarHBondContact O-OD1 3.26Å
217D70.3Confident65.3Low96 Ų96117.2 Ų117.251%0.51361%0.611SS.*  trans-59.896.6177.2-99.3-28.8000111.4P215 R219 K220P215-D217 PolarHBondContact O-N 3.08Å; D217-R219 PolarHBondContact O-N 3.45Å; D217-K220 PolarHBondContact O-N 3.09Å; D217-K220 VanDerWaalsContact O-N 3.15Å
218N64.6Low63.1Low103 Ų103123 Ų12355%0.55161%0.61SS**THydrogen-bonded Turntrans-60.6-4.9174.3-67.9-30.4000113.3V216 L221V216-N218 PolarHBondContact O-N 3.14Å; V216-N218 PolarHBondContact O-OD1 3.26Å; N218-L221 VanDerWaalsContact O-O 3.12Å
219R54Low61.1Low203 Ų203127.3 Ų127.377%0.76664%0.64SS**THydrogen-bonded Turntrans-76.6-26.4176.7-58.1177.8-167.91704.4112.8D217D217-R219 PolarHBondContact O-N 3.45Å
220K53.1Low59.5Low191 Ų191130.2 Ų130.283%0.8365%0.649SS**THydrogen-bonded Turntrans-83.1-17.9173.8-66.6-175.6-179.1177.90112.6D217 S222D217-K220 PolarHBondContact O-N 3.09Å; D217-K220 VanDerWaalsContact O-N 3.15Å; K220-S222 PolarHBondContact O-N 2.79Å
221L51.6Low58.2Low88 Ų88138.5 Ų138.546%0.46168%0.678SS.*SBendtrans-83.889.4168.6-73.1153.4000107.6F199 N218 K223F199-L221 HydrophobicContact CE1-CD1 3.83Å; F199-L221 HydrophobicContact CE2-CD1 4.28Å; F199-L221 HydrophobicContact CZ-CD1 3.69Å; N218-L221 VanDerWaalsContact O-O 3.12Å; L221-K223 PolarHBondContact O-N 2.66Å; L221-K223 VanDerWaalsContact O-N 3.1Å
222S45.3Very low57Low72 Ų72139.7 Ų139.750%0.50368%0.683SS.*  trans-25.3112.8-176.264.10000113.8K220 N224K220-S222 PolarHBondContact O-N 2.79Å; S222-N224 PolarHBondContact O-N 2.87Å
223K46.1Very low56.1Low128 Ų128136 Ų13656%0.55767%0.67SS**SBendtrans-61.310172.1-74.1-175.3173.5-171.90114.5L221 V225 E226L221-K223 PolarHBondContact O-N 2.66Å; L221-K223 VanDerWaalsContact O-N 3.1Å; K223-V225 PolarHBondContact O-N 3.21Å; K223-E226 PolarHBondContact O-N 3.46Å
224N46Very low55.4Low156 Ų156137.1 Ų137.183%0.83468%0.676SS**THydrogen-bonded Turntrans-73.912.5174.5-66.3-17.3000113.6S222S222-N224 PolarHBondContact O-N 2.87Å
225V44.3Very low54.5Low83 Ų83139.6 Ų139.650%0.50368%0.677SS.*THydrogen-bonded Turntrans-124.129.1163.4-1580000111.2K223 K227K223-V225 PolarHBondContact O-N 3.21Å; V225-K227 PolarHBondContact O-N 2.7Å
226E41.4Very low54.3Low145 Ų145137.1 Ų137.168%0.67866%0.663SS**  trans-64.887144.6-79.9178.5-169.500106.3K223 R228K223-E226 PolarHBondContact O-N 3.46Å; E226-R228 VanDerWaalsContact C-N 3.28Å; E226-R228 PolarHBondContact O-N 3.31Å
227K41.8Very low53.9Low184 Ų184139 Ų13980%0.867%0.667SS**  trans-50.6107.8156.3-77.2179.7-179.7174.50104.1V225 S229V225-K227 PolarHBondContact O-N 2.7Å; K227-S229 VanDerWaalsContact C-N 3.3Å; K227-S229 PolarHBondContact O-N 3.2Å
228R38.7Very low53.7Low231 Ų231137.4 Ų137.487%0.87266%0.66SS**  trans-38.2107.5156.1-75.5-179.2169.6-172.7-3.2104.7E226 K230E226-R228 VanDerWaalsContact C-N 3.28Å; E226-R228 PolarHBondContact O-N 3.31Å; R228-K230 PolarHBondContact O-N 2.97Å
229S43.8Very low53.9Low111 Ų111135.4 Ų135.478%0.77665%0.652SS**  trans-61.296.616560.40000102.6K227 K231K227-S229 VanDerWaalsContact C-N 3.3Å; K227-S229 PolarHBondContact O-N 3.2Å; S229-K231 PolarHBondContact O-N 3.21Å
230K48.3Very low54.5Low190 Ų190131.9 Ų131.983%0.82664%0.644SS**  trans-55.7113.4170.2-70.4-177.4179.9-179.90102.7R228 R232R228-K230 PolarHBondContact O-N 2.97Å; K230-R232 PolarHBondContact O-N 3.28Å
231K50.9Low55.2Low199 Ų199125.9 Ų125.987%0.86563%0.626SS**  trans-39.6118.2172.8-78-177.1175.1-178.50106S229 I233S229-K231 PolarHBondContact O-N 3.21Å; K231-I233 PolarHBondContact O-N 2.84Å
232R56.7Low55.9Low242 Ų242124.7 Ų124.791%0.91362%0.623SS**  trans-56.1111.8-177.6-68.6177.389.8-179.66.3105.7K230K230-R232 PolarHBondContact O-N 3.28Å
233I64.3Low57Low105 Ų105128 Ų12854%0.53863%0.628SS.*  trans-58.7124.9172.1-59.2169.2000105.1K231 L235 Q237 V238K231-I233 PolarHBondContact O-N 2.84Å; I233-L235 PolarHBondContact O-N 2.94Å; I233-Q237 HydrophobicContact CG2-CB 3.42Å; I233-Q237 VanDerWaalsContact CG2-CB 3.42Å; I233-Q237 HydrophobicContact CG2-CG 4.44Å; I233-V238 HydrophobicContact CB-CG2 4.28Å; I233-V238 HydrophobicContact CG2-CG2 4.11Å
234P67.6Low58.1Low73 Ų73129 Ų12947%0.47463%0.632SS.*  trans-56.4142.4179.519.8-29.2000109.8S236 Q237P234-S236 PolarHBondContact O-N 2.85Å; P234-Q237 PolarHBondContact O-N 3.32Å
235L63.3Low59.3Low136 Ų136124.6 Ų124.671%0.71261%0.614SS**Hα-helixtrans-52.4-29.6-173.1-172.862.8000112.5I233 Q237 V238 V239I233-L235 PolarHBondContact O-N 2.94Å; L235-Q237 PolarHBondContact O-N 3.34Å; L235-V238 PolarHBondContact O-N 2.61Å; L235-V239 WeakPolarHBondContact O-CG2 3.28Å; L235-V239 PolarHBondContact O-N 3Å
236S73.1Confident60.6Low74 Ų74127.8 Ų127.852%0.51762%0.621SS.*Hα-helixtrans-57.8-40.417456.90000113.9P234 Q240P234-S236 PolarHBondContact O-N 2.85Å; S236-Q240 WeakPolarHBondContact O-CG 3.4Å; S236-Q240 PolarHBondContact O-N 3.11Å
237Q67.5Low62.1Low109 Ų109127.2 Ų127.251%0.50962%0.618SS.*Hα-helixtrans-77-28.6178.8-82.2-178.8-1100112.6I233 P234 L235 S241I233-Q237 HydrophobicContact CG2-CB 3.42Å; I233-Q237 VanDerWaalsContact CG2-CB 3.42Å; I233-Q237 HydrophobicContact CG2-CG 4.44Å; P234-Q237 PolarHBondContact O-N 3.32Å; L235-Q237 PolarHBondContact O-N 3.34Å; Q237-S241 PolarHBondContact O-N 3.38Å; Q237-S241 VanDerWaalsContact O-N 3.13Å; Q237-S241 PolarHBondContact O-OG 3.46Å
238V65Low63.6Low62 Ų62123.9 Ų123.938%0.37661%0.609SS.*Hα-helixtrans-70.3-39173.2176.50000111I233 L235 S241 T242I233-V238 HydrophobicContact CB-CG2 4.28Å; I233-V238 HydrophobicContact CG2-CG2 4.11Å; L235-V238 PolarHBondContact O-N 2.61Å; V238-S241 PolarHBondContact O-OG 3.47Å; V238-T242 WeakPolarHBondContact O-CG2 3.4Å; V238-T242 PolarHBondContact O-N 2.84Å; V238-T242 VanDerWaalsContact O-N 3.14Å; V238-T242 PolarHBondContact O-OG1 2.89Å
239V68.3Low65.2Low62 Ų62120.1 Ų120.138%0.37660%0.599SS.*Hα-helixtrans-69.2-37.5176.6176.10000111.6L235 T242 K243L235-V239 WeakPolarHBondContact O-CG2 3.28Å; L235-V239 PolarHBondContact O-N 3Å; V239-T242 WeakPolarHBondContact CA-OG1 3.35Å; V239-T242 PolarHBondContact O-OG1 3.15Å; V239-K243 HydrophobicContact CG1-CD 4.33Å; V239-K243 WeakPolarHBondContact O-CB 3.3Å; V239-K243 WeakPolarHBondContact O-CG 3.21Å; V239-K243 PolarHBondContact O-N 3.36Å; V239-K243 VanDerWaalsContact O-N 3.08Å
240Q68.6Low66.5Low128 Ų128120.1 Ų120.160%0.59859%0.59SS**Hα-helixtrans-68.9-39.6177.1-73.7-179.6-0.300113.2S236 K243 K244S236-Q240 WeakPolarHBondContact O-CG 3.4Å; S236-Q240 PolarHBondContact O-N 3.11Å; Q240-K243 PolarHBondContact O-N 3.48Å; Q240-K244 PolarHBondContact O-N 3.45Å
241S66.1Low67.5Low65 Ų65116.7 Ų116.746%0.45558%0.578SS.*Hα-helixtrans-69.9-35.5178.455.30000112.8Q237 V238 S245Q237-S241 PolarHBondContact O-N 3.38Å; Q237-S241 VanDerWaalsContact O-N 3.13Å; Q237-S241 PolarHBondContact O-OG 3.46Å; V238-S241 PolarHBondContact O-OG 3.47Å; S241-S245 WeakPolarHBondContact O-CB 3.22Å; S241-S245 PolarHBondContact O-N 3.37Å; S241-S245 VanDerWaalsContact O-N 3.08Å; S241-S245 PolarHBondContact O-OG 3.05Å
242T68Low68.5Low64 Ų64110 Ų11039%0.39356%0.556SS.*Hα-helixtrans-71.5-33.917452.80000112.6V238 V239 S245 K246V238-T242 WeakPolarHBondContact O-CG2 3.4Å; V238-T242 PolarHBondContact O-N 2.84Å; V238-T242 VanDerWaalsContact O-N 3.14Å; V238-T242 PolarHBondContact O-OG1 2.89Å; V239-T242 WeakPolarHBondContact CA-OG1 3.35Å; V239-T242 PolarHBondContact O-OG1 3.15Å; T242-S245 WeakPolarHBondContact CA-OG 3.32Å; T242-S245 PolarHBondContact O-OG 3.47Å; T242-S245 VanDerWaalsContact O-OG 3.09Å; T242-K246 WeakPolarHBondContact O-CB 3.28Å; T242-K246 WeakPolarHBondContact O-CG 3.37Å; T242-K246 PolarHBondContact O-N 3.4Å
243K67.5Low69Low142 Ų142106.1 Ų106.162%0.61755%0.546SS*.Hα-helixtrans-67.4-48.3171.9-75.9-177.8179.5-176.40112.3V239 Q240 S245 K246 Q247V239-K243 HydrophobicContact CG1-CD 4.33Å; V239-K243 WeakPolarHBondContact O-CB 3.3Å; V239-K243 WeakPolarHBondContact O-CG 3.21Å; V239-K243 PolarHBondContact O-N 3.36Å; V239-K243 VanDerWaalsContact O-N 3.08Å; Q240-K243 PolarHBondContact O-N 3.48Å; K243-S245 PolarHBondContact O-N 3.25Å; K243-K246 PolarHBondContact O-N 3Å; K243-Q247 WeakPolarHBondContact O-CB 3.45Å; K243-Q247 PolarHBondContact O-N 3.47Å
244K69.5Low68.9Low149 Ų149107.9 Ų107.965%0.64855%0.55SS*.Hα-helixtrans-60.3-41.3177.5-81.3-177176.6178.90112.7Q240 Q247 N248Q240-K244 PolarHBondContact O-N 3.45Å; K244-Q247 PolarHBondContact O-N 2.92Å; K244-N248 PolarHBondContact O-N 3.23Å
245S70.5Confident68.7Low63 Ų63108.6 Ų108.644%0.44155%0.553SS.*Hα-helixtrans-69.8-36.1178.957.10000113.5S241 T242 K243 K249S241-S245 WeakPolarHBondContact O-CB 3.22Å; S241-S245 PolarHBondContact O-N 3.37Å; S241-S245 VanDerWaalsContact O-N 3.08Å; S241-S245 PolarHBondContact O-OG 3.05Å; T242-S245 WeakPolarHBondContact CA-OG 3.32Å; T242-S245 PolarHBondContact O-OG 3.47Å; T242-S245 VanDerWaalsContact O-OG 3.09Å; K243-S245 PolarHBondContact O-N 3.25Å; S245-K249 PolarHBondContact O-N 3.46Å; S245-K249 VanDerWaalsContact O-N 3.15Å
246K71.8Confident68.5Low150 Ų150109.9 Ų109.965%0.65255%0.553SS**Hα-helixtrans-66.3-41.7171.5-77.4179.9178.7178.60111.7T242 K243 K249 L250T242-K246 WeakPolarHBondContact O-CB 3.28Å; T242-K246 WeakPolarHBondContact O-CG 3.37Å; T242-K246 PolarHBondContact O-N 3.4Å; K243-K246 PolarHBondContact O-N 3Å; K246-K249 PolarHBondContact O-N 2.94Å; K246-L250 VanDerWaalsContact O-CD1 3.24Å; K246-L250 WeakPolarHBondContact O-CD1 3.46Å; K246-L250 PolarHBondContact O-N 2.73Å
247Q72.4Confident67.7Low132 Ų132114.4 Ų114.462%0.61756%0.563SS**Hα-helixtrans-64.7-43.2179.3-149.5166.57.100111.7K243 K244 K249 L250 M251K243-Q247 WeakPolarHBondContact O-CB 3.45Å; K243-Q247 PolarHBondContact O-N 3.47Å; K244-Q247 PolarHBondContact O-N 2.92Å; Q247-K249 PolarHBondContact O-N 2.87Å; Q247-L250 PolarHBondContact O-N 3.19Å; Q247-M251 WeakPolarHBondContact O-CG 3.4Å; Q247-M251 PolarHBondContact O-N 3.37Å
248N73.6Confident67.2Low115 Ų115115 Ų11562%0.61557%0.57SS**Hα-helixtrans-65.4-34.7175.1-73.5-1.2000113.1K244 S252K244-N248 PolarHBondContact O-N 3.23Å; N248-S252 WeakPolarHBondContact O-CB 3.38Å; N248-S252 PolarHBondContact O-N 3.08Å; N248-S252 VanDerWaalsContact O-N 3.11Å; N248-S252 PolarHBondContact O-OG 2.86Å
249K72.9Confident66.8Low151 Ų151120.6 Ų120.666%0.65759%0.589SS**Hα-helixtrans-69.7-33.8173.2-88.2-177.9176.4178.50113.1S245 K246 Q247 S252 K253S245-K249 PolarHBondContact O-N 3.46Å; S245-K249 VanDerWaalsContact O-N 3.15Å; K246-K249 PolarHBondContact O-N 2.94Å; Q247-K249 PolarHBondContact O-N 2.87Å; K249-S252 WeakPolarHBondContact CA-OG 3.45Å; K249-S252 PolarHBondContact O-OG 3.05Å; K249-S252 VanDerWaalsContact O-OG 3.13Å; K249-K253 WeakPolarHBondContact O-CG 3.28Å; K249-K253 PolarHBondContact O-N 3.07Å
250L71.1Confident66.2Low111 Ų111125.5 Ų125.558%0.58161%0.61SS**Hα-helixtrans-72.8-40.3174.2-93.899.6000112.2K246 Q247 K253 K254K246-L250 VanDerWaalsContact O-CD1 3.24Å; K246-L250 WeakPolarHBondContact O-CD1 3.46Å; K246-L250 PolarHBondContact O-N 2.73Å; Q247-L250 PolarHBondContact O-N 3.19Å; L250-K253 PolarHBondContact O-N 3.15Å; L250-K254 PolarHBondContact O-N 3.08Å
251M69Low65.6Low118 Ų118124 Ų12458%0.58161%0.613SS**Hα-helixtrans-64.1-43177.9-69.6-63-74.200111.9Q247 K253 K254 T255Q247-M251 WeakPolarHBondContact O-CG 3.4Å; Q247-M251 PolarHBondContact O-N 3.37Å; M251-K253 VanDerWaalsContact C-N 3.31Å; M251-K253 PolarHBondContact O-N 3.39Å; M251-K254 PolarHBondContact O-N 3.35Å; M251-T255 WeakPolarHBondContact O-CG2 3.3Å; M251-T255 PolarHBondContact O-N 3.27Å; M251-T255 VanDerWaalsContact O-N 3.1Å; M251-T255 PolarHBondContact O-OG1 2.87Å
252S71.4Confident65.1Low58 Ų58125.2 Ų125.241%0.40662%0.622SS.*Hα-helixtrans-67.9-26.6176.353.80000114N248 K249 T255 K256N248-S252 WeakPolarHBondContact O-CB 3.38Å; N248-S252 PolarHBondContact O-N 3.08Å; N248-S252 VanDerWaalsContact O-N 3.11Å; N248-S252 PolarHBondContact O-OG 2.86Å; K249-S252 WeakPolarHBondContact CA-OG 3.45Å; K249-S252 PolarHBondContact O-OG 3.05Å; K249-S252 VanDerWaalsContact O-OG 3.13Å; S252-T255 PolarHBondContact O-OG1 2.86Å; S252-K256 PolarHBondContact O-N 2.66Å
253K66.9Low64.4Low162 Ų162133.3 Ų133.370%0.70465%0.645SS**Hα-helixtrans-75.3-36.7171.7-80-175.6176.1-173.70112.4K249 L250 M251 K257K249-K253 WeakPolarHBondContact O-CG 3.28Å; K249-K253 PolarHBondContact O-N 3.07Å; L250-K253 PolarHBondContact O-N 3.15Å; M251-K253 VanDerWaalsContact C-N 3.31Å; M251-K253 PolarHBondContact O-N 3.39Å; K253-K257 PolarHBondContact O-N 3.06Å; K253-K257 VanDerWaalsContact O-N 3.17Å
254K63.4Low63.7Low142 Ų142132.6 Ų132.662%0.61766%0.655SS**Hα-helixtrans-67.6-39.9176.2-77.1-171.9175.1-174.10112.3L250 M251 K256 K257 N258L250-K254 PolarHBondContact O-N 3.08Å; M251-K254 PolarHBondContact O-N 3.35Å; K254-K256 PolarHBondContact O-N 3.34Å; K254-K257 PolarHBondContact O-N 3.03Å; K254-N258 PolarHBondContact O-N 3.24Å; K254-N258 VanDerWaalsContact O-N 3.16Å
255T62.4Low63Low88 Ų88130.4 Ų130.454%0.5466%0.659SS.*Hα-helixtrans-68.5-32.8177.856.20000113M251 S252 K259M251-T255 WeakPolarHBondContact O-CG2 3.3Å; M251-T255 PolarHBondContact O-N 3.27Å; M251-T255 VanDerWaalsContact O-N 3.1Å; M251-T255 PolarHBondContact O-OG1 2.87Å; S252-T255 PolarHBondContact O-OG1 2.86Å; T255-K259 PolarHBondContact O-N 3.38Å
256K58.9Low62Low163 Ų163137.7 Ų137.771%0.70968%0.682SS**Hα-helixtrans-71.6-31.3172.6-78.3-173.5176.6-174.80113.4S252 K254S252-K256 PolarHBondContact O-N 2.66Å; K254-K256 PolarHBondContact O-N 3.34Å
257K57.1Low61.2Low168 Ų168139.7 Ų139.773%0.7369%0.691SS**Hα-helixtrans-74.9-36.3179.1-142.8175.6-176.7-175.80112.3K253 K254 M260K253-K257 PolarHBondContact O-N 3.06Å; K253-K257 VanDerWaalsContact O-N 3.17Å; K254-K257 PolarHBondContact O-N 3.03Å; K257-M260 PolarHBondContact O-N 3.31Å
258N57.4Low59.7Low122 Ų122146.6 Ų146.665%0.65272%0.719SS**Hα-helixtrans-75.9-23.3176.9-76.78.6000114.1K254 M260 S261K254-N258 PolarHBondContact O-N 3.24Å; K254-N258 VanDerWaalsContact O-N 3.16Å; N258-M260 VanDerWaalsContact C-N 3.32Å; N258-S261 PolarHBondContact O-OG 3.1Å
259K56Low59Low180 Ų180148.2 Ų148.278%0.78372%0.724SS**THydrogen-bonded Turntrans-76.2-16.2174.3-99.7-174.9174.4-175.70114.1T255T255-K259 PolarHBondContact O-N 3.38Å
260M55.7Low58.2Low165 Ų165148.1 Ų148.181%0.81373%0.728SS**SBendtrans-93.1-13.5-179.9-70.7-77.5-70.800113.2K257 N258K257-M260 PolarHBondContact O-N 3.31Å; N258-M260 VanDerWaalsContact C-N 3.32Å
261S56.8Low57.5Low96 Ų96150.1 Ų150.167%0.67174%0.736SS**SBendtrans-95.1-5.8-178.855.70000114.4N258N258-S261 PolarHBondContact O-OG 3.1Å
262S56Low56.8Low90 Ų90152 Ų15263%0.62975%0.745SS**  trans-104.876.6176.862.30000111
263R53.2Low55.9Low234 Ų234157.9 Ų157.988%0.88377%0.766SS**  trans-95.1129.3162.1-105.6-178.3168.3-173.2-3.4108S265R263-S265 PolarHBondContact O-N 3.22Å
264P52.6Low55.2Low127 Ų127157.6 Ų157.683%0.82577%0.771SS**  trans-80.9119.7-175.531.8-30.4000110.3
265S53.3Low54.6Low104 Ų104158.7 Ų158.773%0.72778%0.781SS**  trans-82.5111.5165.956.50000109.4R263 K267R263-S265 PolarHBondContact O-N 3.22Å; S265-K267 PolarHBondContact O-N 3.18Å
266K51Low54Low215 Ų215164.2 Ų164.294%0.93580%0.8SS**  trans-64.8123163.9-79.1179172.9-179.90108.8
267K54.6Low53.6Low192 Ų192164.3 Ų164.384%0.83581%0.808SS**  trans-110135.2172-88.5-173.7174-175.30109.8S265S265-K267 PolarHBondContact O-N 3.18Å
268K39.5Very low53.3Low278 Ų278163.9 Ų163.9100%1.20982%0.815SS**  trans-76.20139.9-87.3-174.3175.8-177.30107.7

Retrieved 268 of 268 residues in 121.6 ms (Link to these results)