A0A3Q0KE50_SCHMA Loading...

UV radiation resistance-associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KE50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 711 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
1M35.6Very low57.7Low234 Ų234123.9 Ų123.9100%1.15365%0.646SS**  0106.80-68.7-155.1140.400108.9K3M1-K3 PolarHBondContact O-N 3.37Å; M1-K3 VanDerWaalsContact O-N 3.12Å
2S41.3Very low60.1Low107 Ų107115.2 Ų115.275%0.74861%0.605SS**  trans-61.7109173.9-37.10000107.1A4S2-A4 PolarHBondContact O-N 3.42Å
3K47.6Very low62.3Low169 Ų169112.5 Ų112.574%0.73560%0.596SS**  trans-60.6109.8171.7-82.5179176.1174.50106M1M1-K3 PolarHBondContact O-N 3.37Å; M1-K3 VanDerWaalsContact O-N 3.12Å
4A47.7Very low64.4Low79 Ų79111 Ų11165%0.65358%0.578SS**PPolyproline II helixtrans-50.1134.5170.200000107.6S2 K6S2-A4 PolarHBondContact O-N 3.42Å; A4-K6 PolarHBondContact O-N 3.45Å; A4-K6 VanDerWaalsContact O-N 3.1Å
5P46.4Very low66.3Low78 Ų78103.6 Ų103.651%0.50654%0.54SS..PPolyproline II helixtrans-51.4125.7175.417.5-26.9000107.7E7 I10P5-E7 PolarHBondContact O-N 3.26Å; P5-I10 HydrophobicContact CB-CD1 4.47Å; P5-I10 HydrophobicContact CB-CG1 4.23Å; P5-I10 HydrophobicContact CG-CD1 4.1Å; P5-I10 HydrophobicContact CG-CG1 4.28Å
6K60.4Low67.9Low169 Ų169103.4 Ų103.474%0.73554%0.535SS*.PPolyproline II helixtrans-53.6132.7-178.7-67.1-177.6177.8-176.50107A4 K8 E9A4-K6 PolarHBondContact O-N 3.45Å; A4-K6 VanDerWaalsContact O-N 3.1Å; K6-K8 PolarHBondContact O-N 3.24Å; K6-E9 PolarHBondContact O-N 3.47Å
7E62.6Low69.4Low157 Ų157102.4 Ų102.473%0.73453%0.53SS*.Hα-helixtrans-45.5-32.5-177.7-164.5179.3169.700113.2P5 E9 I10 G11P5-E7 PolarHBondContact O-N 3.26Å; E7-E9 PolarHBondContact O-N 3.24Å; E7-I10 PolarHBondContact O-N 3.03Å; E7-G11 PolarHBondContact O-N 3.07Å
8K63.9Low70.7Confident126 Ų12696.8 Ų96.855%0.54850%0.501SS..Hα-helixtrans-57.1-41.9172.5-170.7172.6-177170.30114.9K6 G11 A12 S47K6-K8 PolarHBondContact O-N 3.24Å; K8-G11 PolarHBondContact O-N 3.4Å; K8-A12 PolarHBondContact O-N 3.45Å; K8-S47 WeakPolarHBondContact CE-OG 3.03Å; K8-S47 PolarHBondContact NZ-OG 3.39Å; K8-S47 VanDerWaalsContact NZ-OG 3.15Å
9E71.7Confident71.8Confident125 Ų12591.7 Ų91.758%0.58448%0.475SS*.Hα-helixtrans-71.6-39.2-178.1-169.2173.2-172.100111.4K6 E7 G11 A12 V13K6-E9 PolarHBondContact O-N 3.47Å; E7-E9 PolarHBondContact O-N 3.24Å; E9-G11 VanDerWaalsContact C-N 3.32Å; E9-G11 PolarHBondContact O-N 3.13Å; E9-A12 PolarHBondContact O-N 3.07Å; E9-V13 WeakPolarHBondContact O-CG2 3.35Å; E9-V13 PolarHBondContact O-N 2.8Å; E9-V13 VanDerWaalsContact O-N 3.15Å
10I75.8Confident72.8Confident100 Ų10089.6 Ų89.651%0.51347%0.465SS..Hα-helixtrans-62-44.4173.7-55.2175.3000109.7P5 E7 A12 V13 R14P5-I10 HydrophobicContact CB-CD1 4.47Å; P5-I10 HydrophobicContact CB-CG1 4.23Å; P5-I10 HydrophobicContact CG-CD1 4.1Å; P5-I10 HydrophobicContact CG-CG1 4.28Å; E7-I10 PolarHBondContact O-N 3.03Å; I10-A12 PolarHBondContact O-N 3.44Å; I10-V13 PolarHBondContact O-N 3.39Å; I10-R14 WeakPolarHBondContact O-CB 3.42Å; I10-R14 PolarHBondContact O-N 3.32Å
11G81.4Confident73.6Confident19 Ų1990.4 Ų90.420%0.19647%0.465CS..Hα-helixtrans-59.4-44.7176.800000113.2E7 K8 E9 R14 L15E7-G11 PolarHBondContact O-N 3.07Å; K8-G11 PolarHBondContact O-N 3.4Å; E9-G11 VanDerWaalsContact C-N 3.32Å; E9-G11 PolarHBondContact O-N 3.13Å; G11-R14 PolarHBondContact O-N 3.13Å; G11-L15 VanDerWaalsContact O-CB 3.25Å; G11-L15 WeakPolarHBondContact O-CB 3.44Å; G11-L15 PolarHBondContact O-N 3.49Å
12A86.4Confident76.2Confident19 Ų1979.8 Ų79.816%0.15741%0.412CS..Hα-helixtrans-66-41.6-18000000113K8 E9 I10 L15 Q16 F55K8-A12 PolarHBondContact O-N 3.45Å; E9-A12 PolarHBondContact O-N 3.07Å; I10-A12 PolarHBondContact O-N 3.44Å; A12-L15 PolarHBondContact O-N 3.17Å; A12-Q16 PolarHBondContact O-N 3.23Å; A12-F55 WeakPolarHBondContact O-CE2 3.42Å; A12-F55 WeakPolarHBondContact O-CZ 3.43Å
13V89.4Confident78.4Confident81 Ų8174.9 Ų74.949%0.49138%0.378SS..Hα-helixtrans-65.5-42.11761750000110.7E9 I10 Q16 L17E9-V13 WeakPolarHBondContact O-CG2 3.35Å; E9-V13 PolarHBondContact O-N 2.8Å; E9-V13 VanDerWaalsContact O-N 3.15Å; I10-V13 PolarHBondContact O-N 3.39Å; V13-Q16 WeakPolarHBondContact O-CB 3.32Å; V13-Q16 PolarHBondContact O-N 2.71Å; V13-L17 PolarHBondContact O-N 3.38Å
14R91.8Very high80.3Confident91 Ų9169.9 Ų69.934%0.34336%0.362SS..Hα-helixtrans-63.6-45176.8-177.557.7178.4-175.50.9111.6I10 G11 Q16 L17 L18 E37 I41I10-R14 WeakPolarHBondContact O-CB 3.42Å; I10-R14 PolarHBondContact O-N 3.32Å; G11-R14 PolarHBondContact O-N 3.13Å; R14-Q16 VanDerWaalsContact C-N 3.3Å; R14-Q16 PolarHBondContact O-N 3.48Å; R14-L17 WeakPolarHBondContact O-CB 3.4Å; R14-L17 PolarHBondContact O-N 2.97Å; R14-L17 VanDerWaalsContact O-N 3.11Å; R14-L18 HydrophobicContact CG-CD1 4.34Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 2.78Å; R14-E37 WeakPolarHBondContact CG-OE1 3.27Å; R14-E37 IonicContact CZ-OE1 2.83Å; R14-E37 IonicContact CZ-OE2 3.93Å; R14-E37 IonicContact NE-OE1 3.18Å; R14-E37 PolarHBondContact NE-OE1 3.08Å; R14-E37 IonicContact NE-OE2 2.99Å; R14-E37 IonicContact NH2-OE1 3.39Å; R14-E37 PolarHBondContact NH2-OE1 3.15Å; R14-E37 IonicContact NH2-OE2 2.68Å; R14-E37 PolarHBondContact NH2-OE2 3.47Å; R14-I41 HydrophobicContact CB-CD1 4.49Å; R14-I41 HydrophobicContact CG-CD1 4.04Å
15L91.9Very high82Confident0 Ų068.9 Ų68.90%035%0.35CS..Hα-helixtrans-57.8-42.6176.3-175.861.7000111.8G11 A12 L17 L18 V19 T38 I41 T48 D51 L52 F55G11-L15 VanDerWaalsContact O-CB 3.25Å; G11-L15 WeakPolarHBondContact O-CB 3.44Å; G11-L15 PolarHBondContact O-N 3.49Å; A12-L15 PolarHBondContact O-N 3.17Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3Å; L15-L18 PolarHBondContact O-N 3.31Å; L15-V19 HydrophobicContact CD1-CG2 4.5Å; L15-V19 WeakPolarHBondContact O-CG2 3.38Å; L15-V19 PolarHBondContact O-N 2.86Å; L15-T38 HydrophobicContact CD1-CG2 3.93Å; L15-I41 HydrophobicContact CB-CG2 4.29Å; L15-I41 HydrophobicContact CD1-CG2 4.28Å; L15-I41 HydrophobicContact CD2-CG2 4.36Å; L15-T48 WeakPolarHBondContact CD2-O 3.06Å; L15-D51 HydrophobicContact CD2-CB 4.1Å; L15-L52 HydrophobicContact CD1-CD1 3.88Å; L15-L52 HydrophobicContact CD2-CB 4.09Å; L15-F55 HydrophobicContact CB-CE2 4.3Å; L15-F55 HydrophobicContact CD2-CD2 4.32Å; L15-F55 HydrophobicContact CD2-CE2 4.27Å; L15-F55 HydrophobicContact CG-CD2 4.19Å; L15-F55 HydrophobicContact CG-CE2 4.28Å
16Q93.2Very high83.1Confident100 Ų10067.1 Ų67.147%0.46735%0.346SS..Hα-helixtrans-58.8-42.9175.7-171.8176-2.300112.3A12 V13 R14 D20 F55A12-Q16 PolarHBondContact O-N 3.23Å; V13-Q16 WeakPolarHBondContact O-CB 3.32Å; V13-Q16 PolarHBondContact O-N 2.71Å; R14-Q16 VanDerWaalsContact C-N 3.3Å; R14-Q16 PolarHBondContact O-N 3.48Å; Q16-D20 WeakPolarHBondContact O-CB 3.48Å; Q16-D20 PolarHBondContact O-N 2.9Å; Q16-F55 HydrophobicContact CB-CD1 4.04Å; Q16-F55 HydrophobicContact CB-CD2 4.15Å; Q16-F55 HydrophobicContact CB-CE1 3.72Å; Q16-F55 HydrophobicContact CB-CE2 3.88Å; Q16-F55 HydrophobicContact CB-CG 4.25Å; Q16-F55 HydrophobicContact CB-CZ 3.65Å; Q16-F55 HydrophobicContact CG-CD1 3.75Å; Q16-F55 HydrophobicContact CG-CE1 3.68Å; Q16-F55 HydrophobicContact CG-CG 4.25Å; Q16-F55 HydrophobicContact CG-CZ 4.16Å
17L92.5Very high83.6Confident87 Ų8761.5 Ų61.546%0.45533%0.328SS..Hα-helixtrans-66.9-38.8178-68.4171.5000112V13 R14 L15 K21V13-L17 PolarHBondContact O-N 3.38Å; R14-L17 WeakPolarHBondContact O-CB 3.4Å; R14-L17 PolarHBondContact O-N 2.97Å; R14-L17 VanDerWaalsContact O-N 3.11Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3Å; L17-K21 WeakPolarHBondContact O-CB 3.34Å; L17-K21 VanDerWaalsContact O-CG 3.3Å; L17-K21 WeakPolarHBondContact O-CG 3.43Å; L17-K21 PolarHBondContact O-N 3.46Å
18L92.4Very high83.6Confident1 Ų159 Ų591%0.00532%0.319CS..Hα-helixtrans-64-48.4176.4-68.8172.1000111.3R14 L15 D20 K21 I22 L34 E37 I41R14-L18 HydrophobicContact CG-CD1 4.34Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 2.78Å; L15-L18 PolarHBondContact O-N 3.31Å; L18-D20 VanDerWaalsContact C-N 3.34Å; L18-D20 PolarHBondContact O-N 2.84Å; L18-K21 PolarHBondContact O-N 2.92Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 2.88Å; L18-L34 HydrophobicContact CD2-CD2 3.75Å; L18-E37 HydrophobicContact CD1-CB 4.02Å; L18-E37 HydrophobicContact CD1-CG 3.82Å; L18-E37 HydrophobicContact CD2-CB 4.48Å; L18-I41 HydrophobicContact CD1-CD1 3.71Å
19V92.3Very high83.6Confident0 Ų058.9 Ų58.90%033%0.325CS..Hα-helixtrans-59.6-44.7177.3173.40000111.1L15 T23 L52 F55 Q59L15-V19 HydrophobicContact CD1-CG2 4.5Å; L15-V19 WeakPolarHBondContact O-CG2 3.38Å; L15-V19 PolarHBondContact O-N 2.86Å; V19-T23 HydrophobicContact CG1-CG2 4.28Å; V19-T23 WeakPolarHBondContact O-CB 3.42Å; V19-T23 WeakPolarHBondContact O-CG2 3.48Å; V19-T23 PolarHBondContact O-N 3.17Å; V19-T23 PolarHBondContact O-OG1 2.69Å; V19-L52 HydrophobicContact CG2-CD1 3.53Å; V19-F55 HydrophobicContact CB-CB 4.37Å; V19-F55 HydrophobicContact CG1-CB 4.17Å; V19-F55 HydrophobicContact CG2-CB 4.37Å; V19-Q59 HydrophobicContact CG1-CG 4.04Å
20D92Very high83.6Confident50 Ų5054.1 Ų54.127%0.26731%0.307SS..Hα-helixtrans-63-43.7177.9-168.263.3000111.5Q16 L18 T23 T24 Q59 R62Q16-D20 WeakPolarHBondContact O-CB 3.48Å; Q16-D20 PolarHBondContact O-N 2.9Å; L18-D20 VanDerWaalsContact C-N 3.34Å; L18-D20 PolarHBondContact O-N 2.84Å; D20-T23 PolarHBondContact O-N 2.82Å; D20-T23 PolarHBondContact O-OG1 3.38Å; D20-T24 VanDerWaalsContact O-CB 3.27Å; D20-T24 WeakPolarHBondContact O-CB 3.38Å; D20-T24 VanDerWaalsContact O-CG2 3.25Å; D20-T24 WeakPolarHBondContact O-CG2 3.45Å; D20-T24 PolarHBondContact O-N 3.13Å; D20-T24 PolarHBondContact O-OG1 3.49Å; D20-Q59 PolarHBondContact OD1-NE2 2.82Å; D20-R62 IonicContact OD1-CZ 3.44Å; D20-R62 VanDerWaalsContact OD1-CZ 3.26Å; D20-R62 IonicContact OD1-NH1 3.72Å; D20-R62 PolarHBondContact OD1-NH1 3.44Å; D20-R62 IonicContact OD1-NH2 3.07Å; D20-R62 PolarHBondContact OD1-NH2 3.19Å
21K89.9Confident83.8Confident107 Ų10753.7 Ų53.747%0.46531%0.305SS..Hα-helixtrans-62.5-48.9176.5-75.7179.7177.8-1700113L17 L18 T23 T24 S25 L34L17-K21 WeakPolarHBondContact O-CB 3.34Å; L17-K21 VanDerWaalsContact O-CG 3.3Å; L17-K21 WeakPolarHBondContact O-CG 3.43Å; L17-K21 PolarHBondContact O-N 3.46Å; L18-K21 PolarHBondContact O-N 2.92Å; K21-T23 VanDerWaalsContact C-N 3.29Å; K21-T23 PolarHBondContact O-N 3.32Å; K21-T24 PolarHBondContact O-N 3.35Å; K21-S25 WeakPolarHBondContact O-CB 3.49Å; K21-S25 PolarHBondContact O-N 2.81Å; K21-L34 HydrophobicContact CB-CD1 4.13Å
22I89.4Confident84Confident11 Ų1155.4 Ų55.46%0.05631%0.314CS..Hα-helixtrans-62.1-39.9-179.4-66.2165.9000110.8L18 S25 A30 L34 L74L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 2.88Å; I22-S25 PolarHBondContact O-OG 3.3Å; I22-A30 HydrophobicContact CG2-CB 4.07Å; I22-L34 HydrophobicContact CD1-CB 3.99Å; I22-L34 HydrophobicContact CG1-CB 3.76Å; I22-L34 HydrophobicContact CG1-CD1 4.07Å; I22-L74 HydrophobicContact CD1-CD1 4.37Å; I22-L74 HydrophobicContact CG2-CD1 4.28Å; I22-L74 HydrophobicContact CG2-CD2 4.32Å
23T89Confident84Confident3 Ų358.5 Ų58.52%0.01833%0.334CS..Hα-helixtrans-83.5-16.9-175.757.70000113.5V19 D20 K21 Q59 V71 L74V19-T23 HydrophobicContact CG1-CG2 4.28Å; V19-T23 WeakPolarHBondContact O-CB 3.42Å; V19-T23 WeakPolarHBondContact O-CG2 3.48Å; V19-T23 PolarHBondContact O-N 3.17Å; V19-T23 PolarHBondContact O-OG1 2.69Å; D20-T23 PolarHBondContact O-N 2.82Å; D20-T23 PolarHBondContact O-OG1 3.38Å; K21-T23 VanDerWaalsContact C-N 3.29Å; K21-T23 PolarHBondContact O-N 3.32Å; T23-Q59 HydrophobicContact CG2-CG 4.43Å; T23-V71 HydrophobicContact CG2-CB 4.35Å; T23-V71 HydrophobicContact CG2-CG2 3.51Å; T23-L74 HydrophobicContact CG2-CD2 4.39Å
24T87.2Confident84Confident65 Ų6555.9 Ų55.940%0.39932%0.318SS..Hα-helixtrans-108.1-6.6-179.361.50000114.3D20 K21 G26 R62 I67D20-T24 VanDerWaalsContact O-CB 3.27Å; D20-T24 WeakPolarHBondContact O-CB 3.38Å; D20-T24 VanDerWaalsContact O-CG2 3.25Å; D20-T24 WeakPolarHBondContact O-CG2 3.45Å; D20-T24 PolarHBondContact O-N 3.13Å; D20-T24 PolarHBondContact O-OG1 3.49Å; K21-T24 PolarHBondContact O-N 3.35Å; T24-G26 PolarHBondContact O-N 3.46Å; T24-R62 VanDerWaalsContact CG2-NH1 3.35Å; T24-I67 HydrophobicContact CG2-CD1 4.28Å
25S81.8Confident83.9Confident58 Ų5851.6 Ų51.641%0.40630%0.301SS..SBendtrans-60.3-26.9177.662.70000112.9K21 I22 S27K21-S25 WeakPolarHBondContact O-CB 3.49Å; K21-S25 PolarHBondContact O-N 2.81Å; I22-S25 PolarHBondContact O-OG 3.3Å; S25-S27 PolarHBondContact O-N 3.21Å; S25-S27 VanDerWaalsContact O-N 3.14Å; S25-S27 PolarHBondContact OG-N 3.17Å; S25-S27 PolarHBondContact OG-OG 3.27Å
26G71.2Confident83.9Confident41 Ų4157 Ų5742%0.42333%0.327SS..  trans69.40.1-175.300000113.9T24 Q66T24-G26 PolarHBondContact O-N 3.46Å; G26-Q66 PolarHBondContact O-NE2 2.75Å
27S69.3Low83.9Confident51 Ų5155.1 Ų55.136%0.35732%0.318SS..  trans-73142.6177.857.70000111S25 N29S25-S27 PolarHBondContact O-N 3.21Å; S25-S27 VanDerWaalsContact O-N 3.14Å; S25-S27 PolarHBondContact OG-N 3.17Å; S25-S27 PolarHBondContact OG-OG 3.27Å; S27-N29 VanDerWaalsContact C-N 3.28Å; S27-N29 WeakPolarHBondContact CB-O 3.43Å; S27-N29 PolarHBondContact O-N 3.09Å; S27-N29 PolarHBondContact OG-O 3.31Å
28N62.7Low83.8Confident103 Ų10351 Ų5155%0.55130%0.296SS*.SBendtrans-67.9-33.5176.5-77.2-18.2000112.2R73N28-R73 PolarHBondContact O-NH1 3.12Å; N28-R73 PolarHBondContact OD1-NH1 2.96Å
29N65.1Low83.8Confident125 Ų12551.2 Ų51.267%0.66830%0.297SS*.SBendtrans-104.6129.8176.5-62.5-15.4000108.8S27S27-N29 VanDerWaalsContact C-N 3.28Å; S27-N29 WeakPolarHBondContact CB-O 3.43Å; S27-N29 PolarHBondContact O-N 3.09Å; S27-N29 PolarHBondContact OG-O 3.31Å
30A70.9Confident83.7Confident24 Ų2455.9 Ų55.920%0.19832%0.322CS..  trans-69135.8172.100000109.2I22 C32 V35 Q87I22-A30 HydrophobicContact CG2-CB 4.07Å; A30-C32 PolarHBondContact O-N 3.23Å; A30-V35 HydrophobicContact CB-CG2 3.49Å; A30-V35 VanDerWaalsContact CB-CG2 3.49Å; A30-Q87 PolarHBondContact O-NE2 3.41Å
31D80.4Confident83.6Confident91 Ų9154.3 Ų54.349%0.48731%0.314SS..  trans-57.7122.7177-68.6-33.7000110S33 L34 V35D31-S33 PolarHBondContact O-N 3Å; D31-L34 HydrophobicContact CB-CB 4.26Å; D31-L34 HydrophobicContact CB-CD1 4.01Å; D31-L34 HydrophobicContact CB-CG 3.97Å; D31-L34 PolarHBondContact O-N 2.78Å; D31-V35 PolarHBondContact O-N 3.25Å; D31-V35 VanDerWaalsContact O-N 3.07Å
32C85.3Confident83.7Confident55 Ų5549.3 Ų49.337%0.37229%0.293SS..Hα-helixtrans-52.4-42.9-176-177.50000111.8A30 L34 V35 E36 Q87A30-C32 PolarHBondContact O-N 3.23Å; C32-L34 PolarHBondContact O-N 3.5Å; C32-V35 PolarHBondContact O-N 3.39Å; C32-E36 WeakPolarHBondContact O-CB 3.31Å; C32-E36 PolarHBondContact O-N 3.37Å; C32-Q87 PolarHBondContact SG-O 3.36Å
33S87Confident83.6Confident85 Ų8551.8 Ų51.859%0.59431%0.311SS*.Hα-helixtrans-62.7-39.5177.7178.40000113.9D31 E37D31-S33 PolarHBondContact O-N 3Å; S33-E37 PolarHBondContact O-N 3.16Å; S33-E37 VanDerWaalsContact O-N 3.13Å
34L89.3Confident83.5Confident26 Ų2658.2 Ų58.214%0.13634%0.339CS..Hα-helixtrans-71-37.3178.7-63.5-179.6000111.3L18 K21 I22 D31 C32 T38L18-L34 HydrophobicContact CD2-CD2 3.75Å; K21-L34 HydrophobicContact CB-CD1 4.13Å; I22-L34 HydrophobicContact CD1-CB 3.99Å; I22-L34 HydrophobicContact CG1-CB 3.76Å; I22-L34 HydrophobicContact CG1-CD1 4.07Å; D31-L34 HydrophobicContact CB-CB 4.26Å; D31-L34 HydrophobicContact CB-CD1 4.01Å; D31-L34 HydrophobicContact CB-CG 3.97Å; D31-L34 PolarHBondContact O-N 2.78Å; C32-L34 PolarHBondContact O-N 3.5Å; L34-T38 WeakPolarHBondContact O-CB 3.47Å; L34-T38 PolarHBondContact O-N 2.95Å; L34-T38 PolarHBondContact O-OG1 3.13Å
35V90.1Very high83.5Confident0 Ų057.1 Ų57.10%033%0.333CS..Hα-helixtrans-65.3-47.9175.2173.70000110.3A30 D31 C32 E37 T38 V39 L77 Q87 L88A30-V35 HydrophobicContact CB-CG2 3.49Å; A30-V35 VanDerWaalsContact CB-CG2 3.49Å; D31-V35 PolarHBondContact O-N 3.25Å; D31-V35 VanDerWaalsContact O-N 3.07Å; C32-V35 PolarHBondContact O-N 3.39Å; V35-E37 VanDerWaalsContact C-N 3.33Å; V35-E37 PolarHBondContact O-N 3.08Å; V35-T38 WeakPolarHBondContact O-CB 3.39Å; V35-T38 PolarHBondContact O-N 3.18Å; V35-T38 VanDerWaalsContact O-N 3.1Å; V35-V39 HydrophobicContact CG1-CG2 4.16Å; V35-V39 WeakPolarHBondContact O-CG2 3.31Å; V35-V39 PolarHBondContact O-N 3.41Å; V35-L77 HydrophobicContact CG1-CD2 3.78Å; V35-L77 HydrophobicContact CG2-CD2 4.03Å; V35-Q87 HydrophobicContact CG1-CG 4.26Å; V35-L88 HydrophobicContact CG1-CD2 4.26Å
36E91.3Very high83.7Confident115 Ų11558.5 Ų58.554%0.53734%0.343SS..Hα-helixtrans-56.5-47.6179.5-168.3-174.5172.900111.3C32 T38 V39 N40 L88C32-E36 WeakPolarHBondContact O-CB 3.31Å; C32-E36 PolarHBondContact O-N 3.37Å; E36-T38 VanDerWaalsContact C-N 3.33Å; E36-T38 PolarHBondContact O-N 3.24Å; E36-V39 PolarHBondContact O-N 3.38Å; E36-N40 WeakPolarHBondContact O-CB 3.42Å; E36-N40 PolarHBondContact O-N 3.13Å; E36-L88 HydrophobicContact CB-CD2 3.69Å; E36-L88 HydrophobicContact CG-CD2 4.16Å
37E91.8Very high84.6Confident60 Ų6058.2 Ų58.228%0.2834%0.335SS..Hα-helixtrans-63.1-40.8177.2-164.6-175.2160.900111.6R14 L18 S33 V35 N40 I41R14-E37 WeakPolarHBondContact CG-OE1 3.27Å; R14-E37 IonicContact CZ-OE1 2.83Å; R14-E37 IonicContact CZ-OE2 3.93Å; R14-E37 IonicContact NE-OE1 3.18Å; R14-E37 PolarHBondContact NE-OE1 3.08Å; R14-E37 IonicContact NE-OE2 2.99Å; R14-E37 IonicContact NH2-OE1 3.39Å; R14-E37 PolarHBondContact NH2-OE1 3.15Å; R14-E37 IonicContact NH2-OE2 2.68Å; R14-E37 PolarHBondContact NH2-OE2 3.47Å; L18-E37 HydrophobicContact CD1-CB 4.02Å; L18-E37 HydrophobicContact CD1-CG 3.82Å; L18-E37 HydrophobicContact CD2-CB 4.48Å; S33-E37 PolarHBondContact O-N 3.16Å; S33-E37 VanDerWaalsContact O-N 3.13Å; V35-E37 VanDerWaalsContact C-N 3.33Å; V35-E37 PolarHBondContact O-N 3.08Å; E37-N40 PolarHBondContact O-N 3.14Å; E37-I41 HydrophobicContact CG-CD1 4.29Å; E37-I41 WeakPolarHBondContact O-CG1 3.45Å; E37-I41 PolarHBondContact O-N 3.14Å
38T92.3Very high85.6Confident0 Ų056.3 Ų56.30%032%0.321CS..Hα-helixtrans-62.6-46.1177.3-59.50000111.2L15 L34 V35 E36 I41 C42 L52 L78L15-T38 HydrophobicContact CD1-CG2 3.93Å; L34-T38 WeakPolarHBondContact O-CB 3.47Å; L34-T38 PolarHBondContact O-N 2.95Å; L34-T38 PolarHBondContact O-OG1 3.13Å; V35-T38 WeakPolarHBondContact O-CB 3.39Å; V35-T38 PolarHBondContact O-N 3.18Å; V35-T38 VanDerWaalsContact O-N 3.1Å; E36-T38 VanDerWaalsContact C-N 3.33Å; E36-T38 PolarHBondContact O-N 3.24Å; T38-I41 PolarHBondContact O-N 3.35Å; T38-C42 WeakPolarHBondContact O-CB 3.25Å; T38-C42 PolarHBondContact O-N 3.13Å; T38-C42 PolarHBondContact O-SG 3.3Å; T38-L52 HydrophobicContact CG2-CD1 3.7Å; T38-L78 HydrophobicContact CG2-CD1 4.23Å
39V91.8Very high87Confident5 Ų551.6 Ų51.63%0.0330%0.296CS..Hα-helixtrans-61.4-47.2176.9170.60000110V35 E36 I41 C42 S43 L78 I84 F98 L101V35-V39 HydrophobicContact CG1-CG2 4.16Å; V35-V39 WeakPolarHBondContact O-CG2 3.31Å; V35-V39 PolarHBondContact O-N 3.41Å; E36-V39 PolarHBondContact O-N 3.38Å; V39-I41 VanDerWaalsContact C-N 3.31Å; V39-I41 PolarHBondContact O-N 3.47Å; V39-C42 PolarHBondContact O-N 3.25Å; V39-C42 VanDerWaalsContact O-N 3.11Å; V39-S43 WeakPolarHBondContact O-CB 3.46Å; V39-S43 PolarHBondContact O-N 2.71Å; V39-S43 PolarHBondContact O-OG 3.49Å; V39-L78 HydrophobicContact CG2-CD2 3.44Å; V39-L78 VanDerWaalsContact CG2-CD2 3.44Å; V39-I84 HydrophobicContact CG1-CG2 4.42Å; V39-I84 HydrophobicContact CG2-CG2 4.25Å; V39-F98 HydrophobicContact CG1-CD1 3.78Å; V39-F98 HydrophobicContact CG1-CE1 3.39Å; V39-F98 HydrophobicContact CG1-CZ 4.34Å; V39-L101 HydrophobicContact CG1-CD1 4.4Å
40N90.8Very high88.4Confident98 Ų9848.1 Ų48.152%0.52428%0.281SS..Hα-helixtrans-59.2-41.1178.9-170.36.5000112E36 E37 K44E36-N40 WeakPolarHBondContact O-CB 3.42Å; E36-N40 PolarHBondContact O-N 3.13Å; E37-N40 PolarHBondContact O-N 3.14Å; N40-K44 WeakPolarHBondContact O-CG 3.34Å
41I90Very high89.4Confident17 Ų1748.5 Ų48.59%0.08728%0.28CS..Hα-helixtrans-67.8-39.9175.5-65.5166.8000111.7R14 L15 L18 E37 T38 V39 T48R14-I41 HydrophobicContact CB-CD1 4.49Å; R14-I41 HydrophobicContact CG-CD1 4.04Å; L15-I41 HydrophobicContact CB-CG2 4.29Å; L15-I41 HydrophobicContact CD1-CG2 4.28Å; L15-I41 HydrophobicContact CD2-CG2 4.36Å; L18-I41 HydrophobicContact CD1-CD1 3.71Å; E37-I41 HydrophobicContact CG-CD1 4.29Å; E37-I41 WeakPolarHBondContact O-CG1 3.45Å; E37-I41 PolarHBondContact O-N 3.14Å; T38-I41 PolarHBondContact O-N 3.35Å; V39-I41 VanDerWaalsContact C-N 3.31Å; V39-I41 PolarHBondContact O-N 3.47Å; I41-T48 HydrophobicContact CG2-CG2 4.11Å; I41-T48 WeakPolarHBondContact O-CB 3.36Å; I41-T48 PolarHBondContact O-OG1 2.88Å
42C91.1Very high90.1Very high3 Ų344.2 Ų44.22%0.0226%0.257CS..Hα-helixtrans-72.1-34.5-179-68.60000112.6T38 V39 K44 T48 V49 L101T38-C42 WeakPolarHBondContact O-CB 3.25Å; T38-C42 PolarHBondContact O-N 3.13Å; T38-C42 PolarHBondContact O-SG 3.3Å; V39-C42 PolarHBondContact O-N 3.25Å; V39-C42 VanDerWaalsContact O-N 3.11Å; C42-K44 PolarHBondContact O-N 2.78Å; C42-T48 PolarHBondContact O-OG1 3.31Å; C42-V49 HydrophobicContact CB-CG2 4.18Å; C42-L101 HydrophobicContact CB-CD1 3.51Å; C42-L101 HydrophobicContact CB-CG 4.23Å
43S87.5Confident90.6Very high63 Ų6342.4 Ų42.444%0.44124%0.243SC..Hα-helixtrans-67.6-18.6178.2-65.20000113.5V39V39-S43 WeakPolarHBondContact O-CB 3.46Å; V39-S43 PolarHBondContact O-N 2.71Å; V39-S43 PolarHBondContact O-OG 3.49Å
44K86.9Confident91Very high138 Ų13844 Ų4460%0.624%0.236SC*.THydrogen-bonded Turntrans-71-32.8179.5-71.3173.4-175.7-170.60114.1N40 C42N40-K44 WeakPolarHBondContact O-CG 3.34Å; C42-K44 PolarHBondContact O-N 2.78Å
45S86Confident91.2Very high41 Ų4143.3 Ų43.329%0.28723%0.232SC..  trans-159.7148.8-17778.60000113.1S47 T48S45-S47 PolarHBondContact O-N 2.92Å; S45-S47 PolarHBondContact OG-N 2.94Å; S45-S47 PolarHBondContact OG-OG 3.44Å; S45-T48 PolarHBondContact O-N 2.91Å; S45-T48 PolarHBondContact O-OG1 3.44Å; S45-T48 WeakPolarHBondContact OG-CG2 3.41Å; S45-T48 PolarHBondContact OG-N 3.48Å; S45-T48 PolarHBondContact OG-OG1 3.4Å
46S87.1Confident91.4Very high88 Ų8843.3 Ų43.362%0.61523%0.232SC*.Hα-helixtrans-61.6-28.1170.757.60000113.1T48 V49 S50S46-T48 VanDerWaalsContact C-N 3.35Å; S46-T48 PolarHBondContact O-N 3.34Å; S46-V49 PolarHBondContact O-N 2.97Å; S46-S50 PolarHBondContact O-N 3.49Å; S46-S50 VanDerWaalsContact O-N 3.14Å; S46-S50 PolarHBondContact O-OG 3.12Å
47S88.9Confident91.5Very high35 Ų3538.6 Ų38.625%0.24521%0.211CC..Hα-helixtrans-67.9-32.5177.4680000113.2K8 S45 S50 D51K8-S47 WeakPolarHBondContact CE-OG 3.03Å; K8-S47 PolarHBondContact NZ-OG 3.39Å; K8-S47 VanDerWaalsContact NZ-OG 3.15Å; S45-S47 PolarHBondContact O-N 2.92Å; S45-S47 PolarHBondContact OG-N 2.94Å; S45-S47 PolarHBondContact OG-OG 3.44Å; S47-S50 WeakPolarHBondContact O-CB 3.24Å; S47-S50 PolarHBondContact O-N 3.44Å; S47-D51 PolarHBondContact O-N 3.23Å
48T91.2Very high91.6Very high11 Ų1139.2 Ų39.27%0.06722%0.219CC..Hα-helixtrans-71.9-32175.942.80000111.6L15 I41 C42 S45 S46 S50 D51 L52L15-T48 WeakPolarHBondContact CD2-O 3.06Å; I41-T48 HydrophobicContact CG2-CG2 4.11Å; I41-T48 WeakPolarHBondContact O-CB 3.36Å; I41-T48 PolarHBondContact O-OG1 2.88Å; C42-T48 PolarHBondContact O-OG1 3.31Å; S45-T48 PolarHBondContact O-N 2.91Å; S45-T48 PolarHBondContact O-OG1 3.44Å; S45-T48 WeakPolarHBondContact OG-CG2 3.41Å; S45-T48 PolarHBondContact OG-N 3.48Å; S45-T48 PolarHBondContact OG-OG1 3.4Å; S46-T48 VanDerWaalsContact C-N 3.35Å; S46-T48 PolarHBondContact O-N 3.34Å; T48-S50 VanDerWaalsContact C-N 3.33Å; T48-D51 PolarHBondContact O-N 3.28Å; T48-L52 WeakPolarHBondContact O-CB 3.05Å; T48-L52 PolarHBondContact O-N 2.94Å
49V93Very high91.5Very high3 Ų339.6 Ų39.62%0.01822%0.221CC..Hα-helixtrans-64.2-39.2170-174.50000111.3C42 S46 L52 F53 L101 C104 L105 L108C42-V49 HydrophobicContact CB-CG2 4.18Å; S46-V49 PolarHBondContact O-N 2.97Å; V49-L52 WeakPolarHBondContact O-CB 3.43Å; V49-L52 PolarHBondContact O-N 3.46Å; V49-F53 WeakPolarHBondContact O-CB 3.45Å; V49-F53 PolarHBondContact O-N 3.02Å; V49-L101 HydrophobicContact CG2-CG 4.4Å; V49-C104 HydrophobicContact CG1-CB 4.21Å; V49-L105 HydrophobicContact CG1-CB 3.87Å; V49-L105 HydrophobicContact CG1-CD1 4.2Å; V49-L108 HydrophobicContact CG1-CD1 4.15Å
50S93.2Very high91.5Very high52 Ų5239.4 Ų39.436%0.36422%0.219SC..Hα-helixtrans-65.5-39.7174.6-590000112S46 S47 T48 F53 R54S46-S50 PolarHBondContact O-N 3.49Å; S46-S50 VanDerWaalsContact O-N 3.14Å; S46-S50 PolarHBondContact O-OG 3.12Å; S47-S50 WeakPolarHBondContact O-CB 3.24Å; S47-S50 PolarHBondContact O-N 3.44Å; T48-S50 VanDerWaalsContact C-N 3.33Å; S50-F53 PolarHBondContact O-N 3.17Å; S50-R54 WeakPolarHBondContact O-CB 3.38Å; S50-R54 PolarHBondContact O-N 2.7Å
51D93.2Very high91.5Very high32 Ų3241.5 Ų41.517%0.17122%0.22CC..Hα-helixtrans-65.1-44173.8-79.7-39.9000112.1L15 S47 T48 F53 R54 F55L15-D51 HydrophobicContact CD2-CB 4.1Å; S47-D51 PolarHBondContact O-N 3.23Å; T48-D51 PolarHBondContact O-N 3.28Å; D51-F53 VanDerWaalsContact C-N 3.35Å; D51-F53 PolarHBondContact O-N 3.47Å; D51-R54 PolarHBondContact O-N 3.35Å; D51-R54 IonicContact OD1-CZ 2.83Å; D51-R54 IonicContact OD1-NE 3.42Å; D51-R54 PolarHBondContact OD1-NE 3.4Å; D51-R54 IonicContact OD1-NH2 3.92Å; D51-R54 PolarHBondContact OD1-NH2 3.42Å; D51-F55 HydrophobicContact CB-CD2 4.38Å; D51-F55 HydrophobicContact CB-CE2 3.93Å; D51-F55 WeakPolarHBondContact O-CD2 3.46Å; D51-F55 VanDerWaalsContact O-CG 3.22Å; D51-F55 WeakPolarHBondContact O-CG 3.29Å; D51-F55 PolarHBondContact O-N 2.91Å
52L94.8Very high91.4Very high1 Ų145.2 Ų45.21%0.00523%0.233CC..Hα-helixtrans-53.3-53172.717784.3000110.3L15 V19 T38 T48 V49 R54 F55 A56 L78 L105L15-L52 HydrophobicContact CD1-CD1 3.88Å; L15-L52 HydrophobicContact CD2-CB 4.09Å; V19-L52 HydrophobicContact CG2-CD1 3.53Å; T38-L52 HydrophobicContact CG2-CD1 3.7Å; T48-L52 WeakPolarHBondContact O-CB 3.05Å; T48-L52 PolarHBondContact O-N 2.94Å; V49-L52 WeakPolarHBondContact O-CB 3.43Å; V49-L52 PolarHBondContact O-N 3.46Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 2.95Å; L52-F55 PolarHBondContact O-N 3.49Å; L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 3.2Å; L52-L78 HydrophobicContact CD1-CD1 4.28Å; L52-L78 HydrophobicContact CD2-CD1 3.53Å; L52-L105 HydrophobicContact CD2-CD1 4.23Å; L52-L105 HydrophobicContact CD2-CD2 4.22Å
53F95.4Very high91.1Very high18 Ų1851.8 Ų51.88%0.07927%0.268CS..Hα-helixtrans-59.6-43.1179.9179-104.8000112V49 S50 D51 F55 A56 T57 L105 L108 I109 N112 T116V49-F53 WeakPolarHBondContact O-CB 3.45Å; V49-F53 PolarHBondContact O-N 3.02Å; S50-F53 PolarHBondContact O-N 3.17Å; D51-F53 VanDerWaalsContact C-N 3.35Å; D51-F53 PolarHBondContact O-N 3.47Å; F53-F55 PolarHBondContact O-N 3.01Å; F53-A56 PolarHBondContact O-N 2.84Å; F53-T57 WeakPolarHBondContact O-CB 3.28Å; F53-T57 PolarHBondContact O-N 3.43Å; F53-T57 PolarHBondContact O-OG1 3.4Å; F53-L105 HydrophobicContact CB-CD1 4.24Å; F53-L105 HydrophobicContact CD2-CD1 4.31Å; F53-L108 HydrophobicContact CB-CB 4.5Å; F53-L108 HydrophobicContact CB-CD1 4.12Å; F53-L108 HydrophobicContact CD1-CB 4.18Å; F53-L108 HydrophobicContact CD2-CB 4.24Å; F53-L108 HydrophobicContact CG-CB 4.03Å; F53-L108 HydrophobicContact CG-CD1 4.48Å; F53-I109 HydrophobicContact CD2-CG1 4.01Å; F53-I109 HydrophobicContact CE2-CB 4.38Å; F53-I109 HydrophobicContact CE2-CG1 3.77Å; F53-N112 HydrophobicContact CE1-CB 4.19Å; F53-N112 HydrophobicContact CZ-CB 3.82Å; F53-T116 HydrophobicContact CE2-CG2 3.65Å; F53-T116 HydrophobicContact CZ-CG2 3.56Å
54R94.5Very high91.1Very high117 Ų11752.6 Ų52.644%0.44226%0.264SS..Hα-helixtrans-61.3-44.2175.2-177.1178.956.566.45.4111.7S50 D51 L52 T57 V58S50-R54 WeakPolarHBondContact O-CB 3.38Å; S50-R54 PolarHBondContact O-N 2.7Å; D51-R54 PolarHBondContact O-N 3.35Å; D51-R54 IonicContact OD1-CZ 2.83Å; D51-R54 IonicContact OD1-NE 3.42Å; D51-R54 PolarHBondContact OD1-NE 3.4Å; D51-R54 IonicContact OD1-NH2 3.92Å; D51-R54 PolarHBondContact OD1-NH2 3.42Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 2.95Å; R54-T57 PolarHBondContact O-N 3.42Å; R54-V58 WeakPolarHBondContact O-CG2 3.5Å; R54-V58 PolarHBondContact O-N 3.07Å; R54-V58 VanDerWaalsContact O-N 3.09Å
55F95.2Very high91.2Very high12 Ų1246 Ų465%0.05324%0.236CC..Hα-helixtrans-66.7-41.6177.4-63.6-48.2000112A12 L15 Q16 V19 D51 L52 F53 T57 V58 Q59A12-F55 WeakPolarHBondContact O-CE2 3.42Å; A12-F55 WeakPolarHBondContact O-CZ 3.43Å; L15-F55 HydrophobicContact CB-CE2 4.3Å; L15-F55 HydrophobicContact CD2-CD2 4.32Å; L15-F55 HydrophobicContact CD2-CE2 4.27Å; L15-F55 HydrophobicContact CG-CD2 4.19Å; L15-F55 HydrophobicContact CG-CE2 4.28Å; Q16-F55 HydrophobicContact CB-CD1 4.04Å; Q16-F55 HydrophobicContact CB-CD2 4.15Å; Q16-F55 HydrophobicContact CB-CE1 3.72Å; Q16-F55 HydrophobicContact CB-CE2 3.88Å; Q16-F55 HydrophobicContact CB-CG 4.25Å; Q16-F55 HydrophobicContact CB-CZ 3.65Å; Q16-F55 HydrophobicContact CG-CD1 3.75Å; Q16-F55 HydrophobicContact CG-CE1 3.68Å; Q16-F55 HydrophobicContact CG-CG 4.25Å; Q16-F55 HydrophobicContact CG-CZ 4.16Å; V19-F55 HydrophobicContact CB-CB 4.37Å; V19-F55 HydrophobicContact CG1-CB 4.17Å; V19-F55 HydrophobicContact CG2-CB 4.37Å; D51-F55 HydrophobicContact CB-CD2 4.38Å; D51-F55 HydrophobicContact CB-CE2 3.93Å; D51-F55 WeakPolarHBondContact O-CD2 3.46Å; D51-F55 VanDerWaalsContact O-CG 3.22Å; D51-F55 WeakPolarHBondContact O-CG 3.29Å; D51-F55 PolarHBondContact O-N 2.91Å; L52-F55 PolarHBondContact O-N 3.49Å; F53-F55 PolarHBondContact O-N 3.01Å; F55-T57 VanDerWaalsContact C-N 3.33Å; F55-T57 PolarHBondContact O-N 3.03Å; F55-V58 WeakPolarHBondContact O-CB 3.24Å; F55-V58 PolarHBondContact O-N 3.48Å; F55-Q59 WeakPolarHBondContact O-CG 3.31Å; F55-Q59 PolarHBondContact O-N 3.15Å; F55-Q59 VanDerWaalsContact O-N 3.08Å
56A94.2Very high91.3Very high1 Ų145.9 Ų45.91%0.00823%0.231CC..Hα-helixtrans-59.4-43.4173.600000111.6L52 F53 V58 Q59 L60 V71 L75L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 3.2Å; F53-A56 PolarHBondContact O-N 2.84Å; A56-V58 VanDerWaalsContact C-N 3.31Å; A56-V58 PolarHBondContact O-N 3.21Å; A56-Q59 CarbonylContact O-C 3.37Å; A56-Q59 WeakPolarHBondContact O-CA 3.27Å; A56-Q59 WeakPolarHBondContact O-CB 3.25Å; A56-Q59 PolarHBondContact O-N 3.03Å; A56-L60 PolarHBondContact O-N 2.84Å; A56-V71 HydrophobicContact CB-CG1 3.85Å; A56-L75 HydrophobicContact CB-CD2 4.1Å
57T93Very high91.5Very high16 Ų1642.8 Ų42.810%0.09821%0.207CC..Hα-helixtrans-62-37.5176.1-560000112.1F53 R54 F55 Q59 L60 R61F53-T57 WeakPolarHBondContact O-CB 3.28Å; F53-T57 PolarHBondContact O-N 3.43Å; F53-T57 PolarHBondContact O-OG1 3.4Å; R54-T57 PolarHBondContact O-N 3.42Å; F55-T57 VanDerWaalsContact C-N 3.33Å; F55-T57 PolarHBondContact O-N 3.03Å; T57-Q59 VanDerWaalsContact C-N 3.3Å; T57-Q59 PolarHBondContact O-N 3.27Å; T57-L60 PolarHBondContact O-N 2.69Å; T57-R61 WeakPolarHBondContact O-CG 3.36Å; T57-R61 PolarHBondContact O-N 3.38Å
58V93.2Very high91.7Very high72 Ų7242 Ų4244%0.43620%0.199SC..Hα-helixtrans-63.5-37.4172.7171.50000111.5R54 F55 A56 R61R54-V58 WeakPolarHBondContact O-CG2 3.5Å; R54-V58 PolarHBondContact O-N 3.07Å; R54-V58 VanDerWaalsContact O-N 3.09Å; F55-V58 WeakPolarHBondContact O-CB 3.24Å; F55-V58 PolarHBondContact O-N 3.48Å; A56-V58 VanDerWaalsContact C-N 3.31Å; A56-V58 PolarHBondContact O-N 3.21Å; V58-R61 PolarHBondContact O-N 3.46Å
59Q91.6Very high91.6Very high9 Ų941.5 Ų41.54%0.04220%0.196CC..Hα-helixtrans-68.5-37.6175.3-63.9-63.6-13.900112.2V19 D20 T23 F55 A56 T57 R61 R62 I67 V71V19-Q59 HydrophobicContact CG1-CG 4.04Å; D20-Q59 PolarHBondContact OD1-NE2 2.82Å; T23-Q59 HydrophobicContact CG2-CG 4.43Å; F55-Q59 WeakPolarHBondContact O-CG 3.31Å; F55-Q59 PolarHBondContact O-N 3.15Å; F55-Q59 VanDerWaalsContact O-N 3.08Å; A56-Q59 CarbonylContact O-C 3.37Å; A56-Q59 WeakPolarHBondContact O-CA 3.27Å; A56-Q59 WeakPolarHBondContact O-CB 3.25Å; A56-Q59 PolarHBondContact O-N 3.03Å; T57-Q59 VanDerWaalsContact C-N 3.3Å; T57-Q59 PolarHBondContact O-N 3.27Å; Q59-R61 PolarHBondContact O-N 3.46Å; Q59-R62 VanDerWaalsContact O-CB 3.29Å; Q59-R62 WeakPolarHBondContact O-CB 3.49Å; Q59-R62 PolarHBondContact O-N 3.25Å; Q59-R62 VanDerWaalsContact OE1-CD 3.25Å; Q59-I67 HydrophobicContact CB-CG2 4.22Å; Q59-V71 HydrophobicContact CB-CG2 3.39Å; Q59-V71 HydrophobicContact CG-CG2 4.37Å
60L91.3Very high91.5Very high0 Ų042.1 Ų42.10%020%0.203CC..Hα-helixtrans-60-34.2175.9-70.5173.3000113.1A56 T57 R62 R68 V71 T116 Y119 M120A56-L60 PolarHBondContact O-N 2.84Å; T57-L60 PolarHBondContact O-N 2.69Å; L60-R62 PolarHBondContact O-N 3.35Å; L60-R68 HydrophobicContact CD2-CB 4.22Å; L60-R68 HydrophobicContact CD2-CG 4.37Å; L60-R68 PolarHBondContact O-NE 2.91Å; L60-V71 HydrophobicContact CD1-CG1 4.2Å; L60-V71 HydrophobicContact CD2-CB 3.75Å; L60-V71 HydrophobicContact CD2-CG1 3.67Å; L60-V71 HydrophobicContact CD2-CG2 4.28Å; L60-V71 HydrophobicContact CG-CB 4.23Å; L60-V71 HydrophobicContact CG-CG1 3.73Å; L60-V71 HydrophobicContact CG-CG2 4.47Å; L60-T116 HydrophobicContact CD1-CG2 4.36Å; L60-Y119 HydrophobicContact CB-CD2 3.94Å; L60-Y119 HydrophobicContact CB-CG 4.29Å; L60-M120 HydrophobicContact CD1-CE 3.69Å; L60-M120 HydrophobicContact CD2-CE 3.42Å; L60-M120 VanDerWaalsContact CD2-CE 3.42Å; L60-M120 HydrophobicContact CD2-CG 4.25Å; L60-M120 HydrophobicContact CG-CE 4.2Å
61R89.7Confident91.6Very high143 Ų14339.7 Ų39.754%0.5419%0.185SC..THydrogen-bonded Turntrans-68.8-11.2177.1-68.3173.3-177.7179.22.3113.6T57 V58 Q59 Y119T57-R61 WeakPolarHBondContact O-CG 3.36Å; T57-R61 PolarHBondContact O-N 3.38Å; V58-R61 PolarHBondContact O-N 3.46Å; Q59-R61 PolarHBondContact O-N 3.46Å; R61-Y119 HydrophobicContact CG-CE1 4.37Å; R61-Y119 HydrophobicContact CG-CE2 3.93Å
62R87.5Confident91.6Very high94 Ų9438.2 Ų38.236%0.35518%0.178SC..SBendtrans-69.6140.2174.5-64.2-173.3174.3170.11.8109.9D20 T24 Q59 L60 H64 I67 R68D20-R62 IonicContact OD1-CZ 3.44Å; D20-R62 VanDerWaalsContact OD1-CZ 3.26Å; D20-R62 IonicContact OD1-NH1 3.72Å; D20-R62 PolarHBondContact OD1-NH1 3.44Å; D20-R62 IonicContact OD1-NH2 3.07Å; D20-R62 PolarHBondContact OD1-NH2 3.19Å; T24-R62 VanDerWaalsContact CG2-NH1 3.35Å; Q59-R62 VanDerWaalsContact O-CB 3.29Å; Q59-R62 WeakPolarHBondContact O-CB 3.49Å; Q59-R62 PolarHBondContact O-N 3.25Å; Q59-R62 VanDerWaalsContact OE1-CD 3.25Å; L60-R62 PolarHBondContact O-N 3.35Å; R62-H64 PolarHBondContact O-N 2.7Å; R62-I67 HydrophobicContact CB-CD1 4.39Å; R62-R68 PolarHBondContact O-NE 3.29Å; R62-R68 PolarHBondContact O-NH2 3.42Å
63N84.7Confident91.5Very high142 Ų14240.6 Ų40.676%0.75919%0.187SC*.SBendtrans-83.760.1179.6-69.7-24.2000111.4R68N63-R68 PolarHBondContact OD1-NH2 2.87Å
64H88.4Confident91.5Very high79 Ų7940 Ų4037%0.36618%0.184SC..  trans-148.2120.1-179.2-164.6-76.5000111R62 Q66 I67 R68R62-H64 PolarHBondContact O-N 2.7Å; H64-Q66 VanDerWaalsContact CE1-CB 3.46Å; H64-Q66 WeakPolarHBondContact CE1-CB 3.42Å; H64-Q66 WeakPolarHBondContact ND1-CB 3.35Å; H64-Q66 PolarHBondContact ND1-N 3.24Å; H64-Q66 PolarHBondContact O-N 2.71Å; H64-I67 HydrophobicContact CB-CB 4.24Å; H64-I67 HydrophobicContact CB-CD1 3.81Å; H64-I67 HydrophobicContact CB-CG1 3.95Å; H64-I67 PolarHBondContact O-N 3.09Å; H64-R68 PolarHBondContact O-N 3.4Å
65A88.1Confident91.5Very high0 Ų034.6 Ų34.60%016%0.164CC..Hα-helixtrans-61.2-45.3-173.800000112.4I67 R68 L69 L131 L132 P133 A136 A137A65-I67 VanDerWaalsContact C-N 3.28Å; A65-I67 PolarHBondContact O-N 3.36Å; A65-R68 PolarHBondContact O-N 2.91Å; A65-R68 VanDerWaalsContact O-N 3.16Å; A65-L69 PolarHBondContact O-N 2.96Å; A65-L131 HydrophobicContact CB-CB 3.82Å; A65-L132 PolarHBondContact N-O 3.24Å; A65-L132 VanDerWaalsContact N-O 3.08Å; A65-P133 WeakPolarHBondContact CB-O 3.24Å; A65-A136 HydrophobicContact CB-CB 3.89Å; A65-A137 HydrophobicContact CB-CB 3.88Å
66Q89.8Confident91.4Very high38 Ų3837.4 Ų37.418%0.17817%0.174CC..Hα-helixtrans-61.5-34.5-179.5-165.763.614.400113.2G26 H64 L69 G70G26-Q66 PolarHBondContact O-NE2 2.75Å; H64-Q66 VanDerWaalsContact CE1-CB 3.46Å; H64-Q66 WeakPolarHBondContact CE1-CB 3.42Å; H64-Q66 WeakPolarHBondContact ND1-CB 3.35Å; H64-Q66 PolarHBondContact ND1-N 3.24Å; H64-Q66 PolarHBondContact O-N 2.71Å; Q66-L69 PolarHBondContact O-N 3.2Å; Q66-G70 PolarHBondContact O-N 3.04Å
67I90.5Very high91.3Very high24 Ų2438.3 Ų38.312%0.12318%0.179CC..Hα-helixtrans-69.7-43.8179.5-63178.7000108.8T24 Q59 R62 H64 A65 L69 G70 V71T24-I67 HydrophobicContact CG2-CD1 4.28Å; Q59-I67 HydrophobicContact CB-CG2 4.22Å; R62-I67 HydrophobicContact CB-CD1 4.39Å; H64-I67 HydrophobicContact CB-CB 4.24Å; H64-I67 HydrophobicContact CB-CD1 3.81Å; H64-I67 HydrophobicContact CB-CG1 3.95Å; H64-I67 PolarHBondContact O-N 3.09Å; A65-I67 VanDerWaalsContact C-N 3.28Å; A65-I67 PolarHBondContact O-N 3.36Å; I67-L69 VanDerWaalsContact C-N 3.3Å; I67-L69 PolarHBondContact O-N 2.71Å; I67-G70 PolarHBondContact O-N 2.93Å; I67-V71 WeakPolarHBondContact O-CG2 3.38Å; I67-V71 PolarHBondContact O-N 3.41Å
68R92.2Very high91.4Very high19 Ų1937.5 Ų37.57%0.07217%0.174CC..Hα-helixtrans-62.5-39.2176.8-62.4-176.3-171.5-173.72.4111.7L60 R62 N63 H64 A65 V71 L72 Y119 L140L60-R68 HydrophobicContact CD2-CB 4.22Å; L60-R68 HydrophobicContact CD2-CG 4.37Å; L60-R68 PolarHBondContact O-NE 2.91Å; R62-R68 PolarHBondContact O-NE 3.29Å; R62-R68 PolarHBondContact O-NH2 3.42Å; N63-R68 PolarHBondContact OD1-NH2 2.87Å; H64-R68 PolarHBondContact O-N 3.4Å; A65-R68 PolarHBondContact O-N 2.91Å; A65-R68 VanDerWaalsContact O-N 3.16Å; R68-V71 PolarHBondContact O-N 3.05Å; R68-L72 PolarHBondContact O-N 3.17Å; R68-Y119 VanDerWaalsContact CD-O 3.24Å; R68-Y119 WeakPolarHBondContact CD-O 3.47Å; R68-Y119 PolarHBondContact NH1-O 3.18Å; R68-L140 HydrophobicContact CB-CD1 4.25Å; R68-L140 HydrophobicContact CB-CD2 3.58Å
69L90.6Very high91.4Very high0 Ų034.1 Ų34.10%015%0.153CC..Hα-helixtrans-62.5-46173.7-178.661000111.6A65 Q66 I67 V71 L72 R73 A136 E139 L140A65-L69 PolarHBondContact O-N 2.96Å; Q66-L69 PolarHBondContact O-N 3.2Å; I67-L69 VanDerWaalsContact C-N 3.3Å; I67-L69 PolarHBondContact O-N 2.71Å; L69-V71 VanDerWaalsContact C-N 3.28Å; L69-V71 PolarHBondContact O-N 3.39Å; L69-L72 PolarHBondContact O-N 3.29Å; L69-R73 HydrophobicContact CD1-CG 4.48Å; L69-R73 WeakPolarHBondContact O-CG 3.46Å; L69-R73 PolarHBondContact O-N 3.48Å; L69-A136 HydrophobicContact CD2-CB 4.41Å; L69-E139 HydrophobicContact CD1-CG 4.34Å; L69-E139 HydrophobicContact CD2-CB 4.41Å; L69-E139 HydrophobicContact CD2-CG 4.18Å; L69-L140 HydrophobicContact CB-CB 4.45Å; L69-L140 HydrophobicContact CB-CD1 4.38Å; L69-L140 HydrophobicContact CD1-CB 4.34Å; L69-L140 HydrophobicContact CD1-CD1 4.48Å
70G91.4Very high91.4Very high16 Ų1634.1 Ų34.117%0.16515%0.154CC..Hα-helixtrans-58.8-39.1173.900000112.8Q66 I67 L74Q66-G70 PolarHBondContact O-N 3.04Å; I67-G70 PolarHBondContact O-N 2.93Å; G70-L74 WeakPolarHBondContact O-CB 3.44Å; G70-L74 PolarHBondContact O-N 3.23Å
71V93.7Very high91.5Very high0 Ų034.1 Ų34.10%015%0.154CC..Hα-helixtrans-65-47.9174177.90000111.3T23 A56 Q59 L60 I67 R68 L69 R73 L74 L75T23-V71 HydrophobicContact CG2-CB 4.35Å; T23-V71 HydrophobicContact CG2-CG2 3.51Å; A56-V71 HydrophobicContact CB-CG1 3.85Å; Q59-V71 HydrophobicContact CB-CG2 3.39Å; Q59-V71 HydrophobicContact CG-CG2 4.37Å; L60-V71 HydrophobicContact CD1-CG1 4.2Å; L60-V71 HydrophobicContact CD2-CB 3.75Å; L60-V71 HydrophobicContact CD2-CG1 3.67Å; L60-V71 HydrophobicContact CD2-CG2 4.28Å; L60-V71 HydrophobicContact CG-CB 4.23Å; L60-V71 HydrophobicContact CG-CG1 3.73Å; L60-V71 HydrophobicContact CG-CG2 4.47Å; I67-V71 WeakPolarHBondContact O-CG2 3.38Å; I67-V71 PolarHBondContact O-N 3.41Å; R68-V71 PolarHBondContact O-N 3.05Å; L69-V71 VanDerWaalsContact C-N 3.28Å; L69-V71 PolarHBondContact O-N 3.39Å; V71-R73 VanDerWaalsContact C-N 3.32Å; V71-R73 PolarHBondContact O-N 3.22Å; V71-L74 PolarHBondContact O-N 3.02Å; V71-L75 HydrophobicContact CG1-CD1 3.85Å; V71-L75 HydrophobicContact CG1-CG 4.09Å; V71-L75 WeakPolarHBondContact O-CB 3.31Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 3.37Å; V71-L75 PolarHBondContact O-N 2.81Å
72L93.7Very high91.4Very high2 Ų227.7 Ų27.71%0.0113%0.13CC..Hα-helixtrans-56.1-47.9178.2172.963.7000110.9R68 L69 L74 L75 R76 M120 L140 E143 A144 L147R68-L72 PolarHBondContact O-N 3.17Å; L69-L72 PolarHBondContact O-N 3.29Å; L72-L74 PolarHBondContact O-N 3.47Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-R76 WeakPolarHBondContact O-CB 3.44Å; L72-R76 PolarHBondContact O-N 2.8Å; L72-M120 HydrophobicContact CB-CE 4.23Å; L72-M120 HydrophobicContact CB-SD 4.23Å; L72-M120 HydrophobicContact CD1-CE 4.32Å; L72-M120 HydrophobicContact CD1-SD 3.82Å; L72-M120 HydrophobicContact CG-SD 4.44Å; L72-L140 HydrophobicContact CB-CD1 4.03Å; L72-L140 HydrophobicContact CD2-CD1 3.82Å; L72-E143 HydrophobicContact CD2-CB 3.57Å; L72-A144 HydrophobicContact CD2-CB 3.98Å; L72-L147 HydrophobicContact CD1-CD2 3.61Å
73R93.7Very high91.5Very high51 Ų5124.4 Ų24.419%0.19212%0.123CC..Hα-helixtrans-62.7-41.8178.7-71.4179177.9170.21.1112.5N28 L69 V71 R76 L77 E139 E143N28-R73 PolarHBondContact O-NH1 3.12Å; N28-R73 PolarHBondContact OD1-NH1 2.96Å; L69-R73 HydrophobicContact CD1-CG 4.48Å; L69-R73 WeakPolarHBondContact O-CG 3.46Å; L69-R73 PolarHBondContact O-N 3.48Å; V71-R73 VanDerWaalsContact C-N 3.32Å; V71-R73 PolarHBondContact O-N 3.22Å; R73-R76 PolarHBondContact O-N 3.16Å; R73-L77 VanDerWaalsContact O-CB 3.28Å; R73-L77 WeakPolarHBondContact O-CB 3.36Å; R73-L77 PolarHBondContact O-N 2.83Å; R73-E139 IonicContact CZ-OE1 3.26Å; R73-E139 IonicContact NH2-OE1 3.39Å; R73-E139 PolarHBondContact NH2-OE1 3.4Å; R73-E139 IonicContact NH2-OE2 2.8Å; R73-E143 WeakPolarHBondContact CG-OE2 3.4Å; R73-E143 IonicContact CZ-OE1 3.11Å; R73-E143 IonicContact NE-OE1 2.8Å; R73-E143 PolarHBondContact NE-OE1 3.05Å; R73-E143 VanDerWaalsContact NE-OE1 3.15Å; R73-E143 IonicContact NE-OE2 3.18Å; R73-E143 PolarHBondContact NE-OE2 3.23Å; R73-E143 IonicContact NH2-OE1 3.45Å; R73-E143 PolarHBondContact NH2-OE1 3.28Å
74L93.5Very high91.8Very high4 Ų417.6 Ų17.62%0.0219%0.087CC..Hα-helixtrans-61.3-45.9174.4177.561000111.6I22 T23 G70 V71 L72 L77 L78I22-L74 HydrophobicContact CD1-CD1 4.37Å; I22-L74 HydrophobicContact CG2-CD1 4.28Å; I22-L74 HydrophobicContact CG2-CD2 4.32Å; T23-L74 HydrophobicContact CG2-CD2 4.39Å; G70-L74 WeakPolarHBondContact O-CB 3.44Å; G70-L74 PolarHBondContact O-N 3.23Å; V71-L74 PolarHBondContact O-N 3.02Å; L72-L74 PolarHBondContact O-N 3.47Å; L74-L77 PolarHBondContact O-N 3.34Å; L74-L78 HydrophobicContact CD1-CD1 3.63Å; L74-L78 HydrophobicContact CD1-CG 4.01Å; L74-L78 HydrophobicContact CG-CD1 4.08Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 WeakPolarHBondContact O-CG 3.34Å; L74-L78 PolarHBondContact O-N 3.11Å
75L94.6Very high91.9Very high4 Ų414.3 Ų14.32%0.0217%0.072CC..Hα-helixtrans-66-41.5178.2-67.7179.5000111.6A56 V71 L72 S79 L105 I109 M120A56-L75 HydrophobicContact CB-CD2 4.1Å; V71-L75 HydrophobicContact CG1-CD1 3.85Å; V71-L75 HydrophobicContact CG1-CG 4.09Å; V71-L75 WeakPolarHBondContact O-CB 3.31Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 3.37Å; V71-L75 PolarHBondContact O-N 2.81Å; L72-L75 PolarHBondContact O-N 3.48Å; L75-S79 WeakPolarHBondContact O-CB 3.23Å; L75-S79 PolarHBondContact O-N 3.31Å; L75-S79 PolarHBondContact O-OG 2.98Å; L75-L105 HydrophobicContact CD2-CD1 4.03Å; L75-L105 HydrophobicContact CD2-CD2 4.25Å; L75-L105 HydrophobicContact CD2-CG 4.49Å; L75-I109 HydrophobicContact CB-CD1 3.98Å; L75-I109 HydrophobicContact CD1-CD1 4.26Å; L75-I109 HydrophobicContact CD1-CG1 4.46Å; L75-I109 HydrophobicContact CD2-CD1 4.15Å; L75-I109 HydrophobicContact CG-CD1 4.35Å; L75-M120 HydrophobicContact CD1-CE 4.38Å
76R93.5Very high91.9Very high71 Ų7120.5 Ų20.527%0.26810%0.096SC..Hα-helixtrans-58.8-50.5175.2-177.7171.3-167.5167.56.3110.8L72 R73 S79 S80 E146 L147 D150L72-R76 WeakPolarHBondContact O-CB 3.44Å; L72-R76 PolarHBondContact O-N 2.8Å; R73-R76 PolarHBondContact O-N 3.16Å; R76-S79 PolarHBondContact O-N 3Å; R76-S80 PolarHBondContact O-N 3.3Å; R76-E146 IonicContact CZ-OE2 2.66Å; R76-E146 IonicContact NH1-OE2 3.61Å; R76-E146 PolarHBondContact NH1-OE2 2.94Å; R76-E146 IonicContact NH2-OE2 3.77Å; R76-E146 PolarHBondContact NH2-OE2 3.14Å; R76-L147 HydrophobicContact CB-CD1 4.4Å; R76-L147 HydrophobicContact CB-CD2 4.31Å; R76-L147 HydrophobicContact CG-CD1 3.9Å; R76-D150 IonicContact NH2-OD2 3.36Å; R76-D150 PolarHBondContact NH2-OD2 2.87Å; R76-D150 VanDerWaalsContact NH2-OD2 3.13Å
77L93.4Very high91.8Very high20 Ų2021.5 Ų21.511%0.10510%0.1CC..Hα-helixtrans-57.8-54.8178172.860.8000111.7V35 R73 L74 S79 S80 A83 I84 Q87V35-L77 HydrophobicContact CG1-CD2 3.78Å; V35-L77 HydrophobicContact CG2-CD2 4.03Å; R73-L77 VanDerWaalsContact O-CB 3.28Å; R73-L77 WeakPolarHBondContact O-CB 3.36Å; R73-L77 PolarHBondContact O-N 2.83Å; L74-L77 PolarHBondContact O-N 3.34Å; L77-S79 PolarHBondContact O-N 2.83Å; L77-S80 PolarHBondContact O-N 3.02Å; L77-S80 VanDerWaalsContact O-N 3.08Å; L77-S80 VanDerWaalsContact O-O 3.07Å; L77-A83 VanDerWaalsContact CD1-C 3.46Å; L77-A83 HydrophobicContact CD1-CB 3.73Å; L77-A83 WeakPolarHBondContact CD1-O 3.36Å; L77-I84 WeakPolarHBondContact O-CG1 3.11Å; L77-Q87 HydrophobicContact CD1-CB 3.8Å; L77-Q87 HydrophobicContact CD1-CG 4.27Å; L77-Q87 HydrophobicContact CD2-CB 4.45Å; L77-Q87 HydrophobicContact CD2-CG 4.02Å
78L94Very high91.7Very high0 Ų021.4 Ų21.40%010%0.1CC..Hα-helixtrans-71.8-17.3-176.2-66179.5000113.5T38 V39 L52 L74 S80 I84 L101 A102 L105T38-L78 HydrophobicContact CG2-CD1 4.23Å; V39-L78 HydrophobicContact CG2-CD2 3.44Å; V39-L78 VanDerWaalsContact CG2-CD2 3.44Å; L52-L78 HydrophobicContact CD1-CD1 4.28Å; L52-L78 HydrophobicContact CD2-CD1 3.53Å; L74-L78 HydrophobicContact CD1-CD1 3.63Å; L74-L78 HydrophobicContact CD1-CG 4.01Å; L74-L78 HydrophobicContact CG-CD1 4.08Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 WeakPolarHBondContact O-CG 3.34Å; L74-L78 PolarHBondContact O-N 3.11Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-I84 HydrophobicContact CD2-CD1 4.39Å; L78-I84 HydrophobicContact CD2-CG1 4.39Å; L78-L101 HydrophobicContact CB-CD2 4.19Å; L78-L101 WeakPolarHBondContact O-CD2 3.23Å; L78-A102 WeakPolarHBondContact O-CA 3.47Å; L78-L105 HydrophobicContact CB-CD2 3.43Å; L78-L105 VanDerWaalsContact CB-CD2 3.43Å
79S93.2Very high91.4Very high0 Ų026.7 Ų26.70%014%0.135CC..THydrogen-bonded Turntrans-82-9.6173.1-64.20000112.7L75 R76 L77 A102 R106L75-S79 WeakPolarHBondContact O-CB 3.23Å; L75-S79 PolarHBondContact O-N 3.31Å; L75-S79 PolarHBondContact O-OG 2.98Å; R76-S79 PolarHBondContact O-N 3Å; L77-S79 PolarHBondContact O-N 2.83Å; S79-A102 WeakPolarHBondContact O-CB 3.38Å; S79-R106 VanDerWaalsContact O-CZ 3.25Å; S79-R106 PolarHBondContact O-NE 2.88Å; S79-R106 PolarHBondContact O-NH2 3.47Å; S79-R106 VanDerWaalsContact O-NH2 3.13Å
80S92.3Very high91.3Very high9 Ų930.1 Ų30.16%0.06315%0.152CC..  trans-117.4110.9-176.6159.80000109.7R76 L77 L78 Q82 A83 I84 D161R76-S80 PolarHBondContact O-N 3.3Å; L77-S80 PolarHBondContact O-N 3.02Å; L77-S80 VanDerWaalsContact O-N 3.08Å; L77-S80 VanDerWaalsContact O-O 3.07Å; L78-S80 VanDerWaalsContact C-N 3.31Å; S80-Q82 VanDerWaalsContact C-N 3.27Å; S80-Q82 PolarHBondContact O-N 3.25Å; S80-A83 PolarHBondContact O-N 3.41Å; S80-A83 WeakPolarHBondContact OG-CB 3.28Å; S80-A83 PolarHBondContact OG-N 3.39Å; S80-I84 WeakPolarHBondContact O-CG1 3.47Å; S80-I84 PolarHBondContact O-N 3.09Å; S80-I84 VanDerWaalsContact O-N 3.08Å; S80-D161 WeakPolarHBondContact CB-OD1 3.34Å; S80-D161 WeakPolarHBondContact CB-OD2 3.45Å; S80-D161 PolarHBondContact OG-OD1 3.44Å; S80-D161 PolarHBondContact OG-OD2 3.01Å
81P92Very high91.1Very high0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-57.8-40.7177.2-21.431.5000112.3I84 V85 A95 F98 I99 A102 F160 L173P81-I84 PolarHBondContact O-N 3.47Å; P81-V85 PolarHBondContact O-N 3.47Å; P81-A95 HydrophobicContact CB-CB 4.29Å; P81-A95 WeakPolarHBondContact CB-O 3.49Å; P81-F98 HydrophobicContact CB-CB 4.34Å; P81-I99 HydrophobicContact CG-CG1 4.27Å; P81-A102 HydrophobicContact CG-CB 3.8Å; P81-F160 HydrophobicContact CG-CB 4.43Å; P81-F160 HydrophobicContact CG-CD1 4.06Å; P81-F160 HydrophobicContact CG-CD2 4.32Å; P81-F160 HydrophobicContact CG-CE1 4.43Å; P81-F160 HydrophobicContact CG-CG 4.04Å; P81-L173 HydrophobicContact CB-CD1 3.77Å; P81-L173 HydrophobicContact CG-CD1 4.22Å
82Q89.1Confident90.4Very high8 Ų836.6 Ų36.64%0.03719%0.188CC..Hα-helixtrans-68.8-38.6178.9-65.393-58.400111.9S80 I84 V85 R86 F160 D161S80-Q82 VanDerWaalsContact C-N 3.27Å; S80-Q82 PolarHBondContact O-N 3.25Å; Q82-I84 VanDerWaalsContact C-N 3.33Å; Q82-I84 PolarHBondContact O-N 3.28Å; Q82-V85 PolarHBondContact O-N 3.32Å; Q82-R86 VanDerWaalsContact O-CG 3.31Å; Q82-R86 WeakPolarHBondContact O-CG 3.36Å; Q82-R86 PolarHBondContact O-N 3.07Å; Q82-F160 PolarHBondContact NE2-O 2.82Å; Q82-D161 WeakPolarHBondContact CB-OD2 3.47Å; Q82-D161 PolarHBondContact N-OD2 3.36Å; Q82-D161 PolarHBondContact OE1-OD2 2.84Å
83A89.5Confident89.9Confident25 Ų2542.2 Ų42.221%0.20722%0.218CC..Hα-helixtrans-64.8-37.4175.600000112L77 S80 R86 Q87L77-A83 VanDerWaalsContact CD1-C 3.46Å; L77-A83 HydrophobicContact CD1-CB 3.73Å; L77-A83 WeakPolarHBondContact CD1-O 3.36Å; S80-A83 PolarHBondContact O-N 3.41Å; S80-A83 WeakPolarHBondContact OG-CB 3.28Å; S80-A83 PolarHBondContact OG-N 3.39Å; A83-R86 PolarHBondContact O-N 2.88Å; A83-Q87 VanDerWaalsContact O-CB 3.28Å; A83-Q87 WeakPolarHBondContact O-CB 3.49Å; A83-Q87 PolarHBondContact O-N 3.48Å
84I90.6Very high89.5Confident0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-60-48.5174.1-66.4165.8000110.3V39 L77 L78 S80 P81 Q82 R86 Q87 L88 F98 L101V39-I84 HydrophobicContact CG1-CG2 4.42Å; V39-I84 HydrophobicContact CG2-CG2 4.25Å; L77-I84 WeakPolarHBondContact O-CG1 3.11Å; L78-I84 HydrophobicContact CD2-CD1 4.39Å; L78-I84 HydrophobicContact CD2-CG1 4.39Å; S80-I84 WeakPolarHBondContact O-CG1 3.47Å; S80-I84 PolarHBondContact O-N 3.09Å; S80-I84 VanDerWaalsContact O-N 3.08Å; P81-I84 PolarHBondContact O-N 3.47Å; Q82-I84 VanDerWaalsContact C-N 3.33Å; Q82-I84 PolarHBondContact O-N 3.28Å; I84-R86 VanDerWaalsContact C-N 3.34Å; I84-R86 PolarHBondContact O-N 3.25Å; I84-Q87 PolarHBondContact O-N 2.91Å; I84-L88 HydrophobicContact CG2-CD1 3.83Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CB 3.32Å; I84-L88 WeakPolarHBondContact O-CG 3.3Å; I84-L88 PolarHBondContact O-N 3.19Å; I84-F98 HydrophobicContact CB-CD2 4.31Å; I84-F98 HydrophobicContact CB-CG 4.43Å; I84-F98 HydrophobicContact CD1-CB 3.85Å; I84-F98 HydrophobicContact CD1-CD1 4.45Å; I84-F98 HydrophobicContact CD1-CG 4.14Å; I84-F98 HydrophobicContact CG2-CD1 4.08Å; I84-F98 HydrophobicContact CG2-CD2 3.8Å; I84-F98 HydrophobicContact CG2-CE1 4.12Å; I84-F98 HydrophobicContact CG2-CE2 3.83Å; I84-F98 HydrophobicContact CG2-CG 3.93Å; I84-F98 HydrophobicContact CG2-CZ 3.98Å; I84-L101 HydrophobicContact CD1-CD2 4.32Å
85V90.2Very high89.3Confident10 Ų1041.4 Ų41.46%0.06122%0.218CC..Hα-helixtrans-60.2-44.9179.5167.10000111.5P81 Q82 L88 T89 L90 S91 D94 A95 F98P81-V85 PolarHBondContact O-N 3.47Å; Q82-V85 PolarHBondContact O-N 3.32Å; V85-L88 PolarHBondContact O-N 2.9Å; V85-T89 WeakPolarHBondContact O-CA 3.34Å; V85-T89 PolarHBondContact O-N 2.91Å; V85-L90 HydrophobicContact CB-CB 4.49Å; V85-L90 HydrophobicContact CG1-CB 4.07Å; V85-L90 VanDerWaalsContact CG1-O 3.31Å; V85-L90 WeakPolarHBondContact CG1-O 3.29Å; V85-L90 HydrophobicContact CG2-CB 4.45Å; V85-L90 PolarHBondContact O-N 2.87Å; V85-S91 VanDerWaalsContact CG1-O 3.3Å; V85-S91 WeakPolarHBondContact CG1-O 3.46Å; V85-D94 HydrophobicContact CG2-CB 4.38Å; V85-A95 HydrophobicContact CG2-CB 3.75Å; V85-F98 HydrophobicContact CG2-CD2 4.15Å; V85-F98 HydrophobicContact CG2-CE2 4.11Å
86R88.3Confident89Confident130 Ų13046.5 Ų46.549%0.49124%0.243SC..Hα-helixtrans-63.2-42.8177.1-70167.5178.9175.2-9.3112.2Q82 A83 I84 L88 T89 D168Q82-R86 VanDerWaalsContact O-CG 3.31Å; Q82-R86 WeakPolarHBondContact O-CG 3.36Å; Q82-R86 PolarHBondContact O-N 3.07Å; A83-R86 PolarHBondContact O-N 2.88Å; I84-R86 VanDerWaalsContact C-N 3.34Å; I84-R86 PolarHBondContact O-N 3.25Å; R86-L88 VanDerWaalsContact C-N 3.33Å; R86-L88 PolarHBondContact O-N 3.22Å; R86-T89 PolarHBondContact O-N 2.9Å; R86-D168 IonicContact CZ-OD1 2.76Å; R86-D168 IonicContact CZ-OD2 2.69Å; R86-D168 IonicContact NH2-OD1 3.81Å; R86-D168 PolarHBondContact NH2-OD1 3.19Å; R86-D168 IonicContact NH2-OD2 3.04Å; R86-D168 PolarHBondContact NH2-OD2 3.42Å
87Q87.7Confident88.8Confident58 Ų5849.9 Ų49.927%0.27126%0.26SS..Hα-helixtrans-67.3-34.9-179.3-173.664.524.500112.5A30 C32 V35 L77 A83 I84A30-Q87 PolarHBondContact O-NE2 3.41Å; C32-Q87 PolarHBondContact SG-O 3.36Å; V35-Q87 HydrophobicContact CG1-CG 4.26Å; L77-Q87 HydrophobicContact CD1-CB 3.8Å; L77-Q87 HydrophobicContact CD1-CG 4.27Å; L77-Q87 HydrophobicContact CD2-CB 4.45Å; L77-Q87 HydrophobicContact CD2-CG 4.02Å; A83-Q87 VanDerWaalsContact O-CB 3.28Å; A83-Q87 WeakPolarHBondContact O-CB 3.49Å; A83-Q87 PolarHBondContact O-N 3.48Å; I84-Q87 PolarHBondContact O-N 2.91Å
88L88.8Confident88.7Confident23 Ų2349.9 Ų49.912%0.1226%0.259CS..THydrogen-bonded Turntrans-93.52.2180-61.1-176.7000113.2V35 E36 I84 V85 R86 L90V35-L88 HydrophobicContact CG1-CD2 4.26Å; E36-L88 HydrophobicContact CB-CD2 3.69Å; E36-L88 HydrophobicContact CG-CD2 4.16Å; I84-L88 HydrophobicContact CG2-CD1 3.83Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CB 3.32Å; I84-L88 WeakPolarHBondContact O-CG 3.3Å; I84-L88 PolarHBondContact O-N 3.19Å; V85-L88 PolarHBondContact O-N 2.9Å; R86-L88 VanDerWaalsContact C-N 3.33Å; R86-L88 PolarHBondContact O-N 3.22Å; L88-L90 HydrophobicContact CB-CD1 3.8Å; L88-L90 HydrophobicContact CB-CG 3.71Å; L88-L90 HydrophobicContact CD1-CD1 3.95Å; L88-L90 PolarHBondContact O-N 3.35Å
89T86.5Confident88.6Confident130 Ų13051.5 Ų51.580%0.79827%0.268SS*.THydrogen-bonded Turntrans51.640.3-176.8-38.90000112.4V85 R86V85-T89 WeakPolarHBondContact O-CA 3.34Å; V85-T89 PolarHBondContact O-N 2.91Å; R86-T89 PolarHBondContact O-N 2.9Å
90L87.5Confident88.5Confident71 Ų7155.8 Ų55.837%0.37230%0.295SS..  trans-87.5172180-65.7174.7000111.6V85 L88 D94 F98V85-L90 HydrophobicContact CB-CB 4.49Å; V85-L90 HydrophobicContact CG1-CB 4.07Å; V85-L90 VanDerWaalsContact CG1-O 3.31Å; V85-L90 WeakPolarHBondContact CG1-O 3.29Å; V85-L90 HydrophobicContact CG2-CB 4.45Å; V85-L90 PolarHBondContact O-N 2.87Å; L88-L90 HydrophobicContact CB-CD1 3.8Å; L88-L90 HydrophobicContact CB-CG 3.71Å; L88-L90 HydrophobicContact CD1-CD1 3.95Å; L88-L90 PolarHBondContact O-N 3.35Å; L90-D94 HydrophobicContact CB-CB 4.2Å; L90-F98 HydrophobicContact CD1-CE2 3.83Å; L90-F98 HydrophobicContact CD1-CZ 3.81Å
91S86.5Confident88.5Confident63 Ų6355.7 Ų55.744%0.44129%0.294SS..  trans-67.2144.8172.4-176.50000110.5V85 N93 D94V85-S91 VanDerWaalsContact CG1-O 3.3Å; V85-S91 WeakPolarHBondContact CG1-O 3.46Å; S91-N93 PolarHBondContact O-N 3.06Å; S91-N93 VanDerWaalsContact O-N 3.09Å; S91-D94 WeakPolarHBondContact CB-OD2 3.29Å; S91-D94 PolarHBondContact N-OD2 3.01Å; S91-D94 VanDerWaalsContact O-CB 3.32Å; S91-D94 WeakPolarHBondContact O-CB 3.49Å; S91-D94 PolarHBondContact O-N 2.93Å
92I79.8Confident88.6Confident90 Ų9055.7 Ų55.746%0.46229%0.294SS..G310 helixtrans-52.9-34175.1-61.1169000111D94 A95 P171I92-D94 VanDerWaalsContact C-N 3.26Å; I92-D94 PolarHBondContact O-N 2.88Å; I92-A95 VanDerWaalsContact O-CB 3.31Å; I92-A95 WeakPolarHBondContact O-CB 3.13Å; I92-A95 PolarHBondContact O-N 3.38Å; I92-P171 HydrophobicContact CG2-CG 4.42Å
93N82.9Confident88.7Confident120 Ų12059 Ų5964%0.64231%0.309SS*.G310 helixtrans-68.9-21.5179.3-64.5-25.5000113.5S91 A95S91-N93 PolarHBondContact O-N 3.06Å; S91-N93 VanDerWaalsContact O-N 3.09Å; N93-A95 PolarHBondContact O-N 3.47Å
94D86.5Confident88.8Confident35 Ų3559.5 Ų59.519%0.18731%0.31CS..G310 helixtrans-72.1-14.8177.8-68.3-45.9000112.6V85 L90 S91 I92 I96 K97 F98V85-D94 HydrophobicContact CG2-CB 4.38Å; L90-D94 HydrophobicContact CB-CB 4.2Å; S91-D94 WeakPolarHBondContact CB-OD2 3.29Å; S91-D94 PolarHBondContact N-OD2 3.01Å; S91-D94 VanDerWaalsContact O-CB 3.32Å; S91-D94 WeakPolarHBondContact O-CB 3.49Å; S91-D94 PolarHBondContact O-N 2.93Å; I92-D94 VanDerWaalsContact C-N 3.26Å; I92-D94 PolarHBondContact O-N 2.88Å; D94-I96 PolarHBondContact O-N 3.21Å; D94-I96 VanDerWaalsContact O-N 3.15Å; D94-K97 HydrophobicContact CB-CD 4.42Å; D94-K97 VanDerWaalsContact O-CB 3.3Å; D94-K97 WeakPolarHBondContact O-CB 3.42Å; D94-K97 PolarHBondContact O-N 3.03Å; D94-K97 WeakPolarHBondContact OD1-CE 3.37Å; D94-K97 IonicContact OD1-NZ 3.53Å; D94-K97 PolarHBondContact OD1-NZ 3.3Å; D94-F98 HydrophobicContact CB-CE2 4.47Å; D94-F98 WeakPolarHBondContact O-CD2 3.37Å
95A87.3Confident89Confident3 Ų359.5 Ų59.53%0.02531%0.31CS..Hα-helixtrans-57.6-32.8-179.900000112.3P81 V85 I92 N93 K97 F98 L173P81-A95 HydrophobicContact CB-CB 4.29Å; P81-A95 WeakPolarHBondContact CB-O 3.49Å; V85-A95 HydrophobicContact CG2-CB 3.75Å; I92-A95 VanDerWaalsContact O-CB 3.31Å; I92-A95 WeakPolarHBondContact O-CB 3.13Å; I92-A95 PolarHBondContact O-N 3.38Å; N93-A95 PolarHBondContact O-N 3.47Å; A95-K97 PolarHBondContact O-N 2.99Å; A95-F98 PolarHBondContact O-N 2.95Å; A95-L173 HydrophobicContact CB-CD1 3.64Å
96I89Confident89.1Confident110 Ų11059 Ų5956%0.56431%0.307SS*.Hα-helixtrans-57-35.5177.8-60.2173.3000111.4D94 F98 I99 L173D94-I96 PolarHBondContact O-N 3.21Å; D94-I96 VanDerWaalsContact O-N 3.15Å; I96-F98 PolarHBondContact O-N 3.46Å; I96-I99 HydrophobicContact CB-CD1 4.48Å; I96-I99 HydrophobicContact CG2-CD1 4.32Å; I96-I99 PolarHBondContact O-N 2.99Å; I96-L173 HydrophobicContact CG1-CD2 4.07Å
97K89.3Confident89.2Confident142 Ų14254.5 Ų54.562%0.61729%0.292SS*.Hα-helixtrans-65.4-26.2-178.7-61.5171.4178.4165.90112.4D94 A95D94-K97 HydrophobicContact CB-CD 4.42Å; D94-K97 VanDerWaalsContact O-CB 3.3Å; D94-K97 WeakPolarHBondContact O-CB 3.42Å; D94-K97 PolarHBondContact O-N 3.03Å; D94-K97 WeakPolarHBondContact OD1-CE 3.37Å; D94-K97 IonicContact OD1-NZ 3.53Å; D94-K97 PolarHBondContact OD1-NZ 3.3Å; A95-K97 PolarHBondContact O-N 2.99Å
98F91.7Very high89.5Confident20 Ų2053.4 Ų53.49%0.08829%0.288CS..Hα-helixtrans-96.2-5.9-175.1-55.1-64.7000113.9V39 P81 I84 V85 L90 D94 A95 I96 P100 L101 A102V39-F98 HydrophobicContact CG1-CD1 3.78Å; V39-F98 HydrophobicContact CG1-CE1 3.39Å; V39-F98 HydrophobicContact CG1-CZ 4.34Å; P81-F98 HydrophobicContact CB-CB 4.34Å; I84-F98 HydrophobicContact CB-CD2 4.31Å; I84-F98 HydrophobicContact CB-CG 4.43Å; I84-F98 HydrophobicContact CD1-CB 3.85Å; I84-F98 HydrophobicContact CD1-CD1 4.45Å; I84-F98 HydrophobicContact CD1-CG 4.14Å; I84-F98 HydrophobicContact CG2-CD1 4.08Å; I84-F98 HydrophobicContact CG2-CD2 3.8Å; I84-F98 HydrophobicContact CG2-CE1 4.12Å; I84-F98 HydrophobicContact CG2-CE2 3.83Å; I84-F98 HydrophobicContact CG2-CG 3.93Å; I84-F98 HydrophobicContact CG2-CZ 3.98Å; V85-F98 HydrophobicContact CG2-CD2 4.15Å; V85-F98 HydrophobicContact CG2-CE2 4.11Å; L90-F98 HydrophobicContact CD1-CE2 3.83Å; L90-F98 HydrophobicContact CD1-CZ 3.81Å; D94-F98 HydrophobicContact CB-CE2 4.47Å; D94-F98 WeakPolarHBondContact O-CD2 3.37Å; A95-F98 PolarHBondContact O-N 2.95Å; I96-F98 PolarHBondContact O-N 3.46Å; F98-P100 VanDerWaalsContact C-CD 3.49Å; F98-L101 PolarHBondContact O-N 3.32Å; F98-A102 WeakPolarHBondContact O-CB 3.38Å; F98-A102 PolarHBondContact O-N 3.2Å
99I91.3Very high89.7Confident35 Ų3552.5 Ų52.518%0.17928%0.283CS..Hα-helixtrans-52.6-46.4177.2-64.3172.6000112.6P81 I96 L101 A102 K103 F160 L173P81-I99 HydrophobicContact CG-CG1 4.27Å; I96-I99 HydrophobicContact CB-CD1 4.48Å; I96-I99 HydrophobicContact CG2-CD1 4.32Å; I96-I99 PolarHBondContact O-N 2.99Å; I99-L101 VanDerWaalsContact C-N 3.35Å; I99-L101 PolarHBondContact O-N 3.25Å; I99-A102 PolarHBondContact O-N 3Å; I99-K103 VanDerWaalsContact O-CB 3.23Å; I99-K103 WeakPolarHBondContact O-CB 3.41Å; I99-K103 PolarHBondContact O-N 2.96Å; I99-F160 HydrophobicContact CG2-CE2 4.04Å; I99-L173 HydrophobicContact CD1-CB 4.25Å; I99-L173 HydrophobicContact CD1-CD1 4.3Å; I99-L173 HydrophobicContact CD1-CD2 4.32Å; I99-L173 HydrophobicContact CG1-CD1 4.23Å
100P90.8Very high90Very high89 Ų8946.3 Ų46.358%0.57825%0.245SC*.Hα-helixtrans-63.5-39.6-178.8-22.534.8000113F98 C104F98-P100 VanDerWaalsContact C-CD 3.49Å; P100-C104 WeakPolarHBondContact O-CB 3.28Å; P100-C104 PolarHBondContact O-N 3.26Å
101L93.4Very high90.1Very high7 Ų745.3 Ų45.34%0.03724%0.24CC..Hα-helixtrans-64.4-53.8176.9179.9162.3000110V39 C42 V49 L78 I84 F98 I99 K103 C104 L105V39-L101 HydrophobicContact CG1-CD1 4.4Å; C42-L101 HydrophobicContact CB-CD1 3.51Å; C42-L101 HydrophobicContact CB-CG 4.23Å; V49-L101 HydrophobicContact CG2-CG 4.4Å; L78-L101 HydrophobicContact CB-CD2 4.19Å; L78-L101 WeakPolarHBondContact O-CD2 3.23Å; I84-L101 HydrophobicContact CD1-CD2 4.32Å; F98-L101 PolarHBondContact O-N 3.32Å; I99-L101 VanDerWaalsContact C-N 3.35Å; I99-L101 PolarHBondContact O-N 3.25Å; L101-K103 VanDerWaalsContact C-N 3.35Å; L101-K103 PolarHBondContact O-N 3.08Å; L101-C104 PolarHBondContact O-N 3.26Å; L101-L105 WeakPolarHBondContact O-CB 3.4Å; L101-L105 PolarHBondContact O-N 3.41Å
102A93.3Very high90.3Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-58.1-46.3-179.500000111.5L78 S79 P81 F98 I99 L105 R106 F160L78-A102 WeakPolarHBondContact O-CA 3.47Å; S79-A102 WeakPolarHBondContact O-CB 3.38Å; P81-A102 HydrophobicContact CG-CB 3.8Å; F98-A102 WeakPolarHBondContact O-CB 3.38Å; F98-A102 PolarHBondContact O-N 3.2Å; I99-A102 PolarHBondContact O-N 3Å; A102-L105 PolarHBondContact O-N 3.41Å; A102-R106 WeakPolarHBondContact O-CB 3.46Å; A102-R106 WeakPolarHBondContact O-CG 3.12Å; A102-R106 PolarHBondContact O-N 2.87Å; A102-F160 HydrophobicContact CB-CE1 4.14Å
103K91.6Very high90.7Very high79 Ų7941 Ų4134%0.34321%0.213SC..Hα-helixtrans-61.8-46.1177.2-175.8176.6-178.31740112.2I99 L101 N107 F160 V176I99-K103 VanDerWaalsContact O-CB 3.23Å; I99-K103 WeakPolarHBondContact O-CB 3.41Å; I99-K103 PolarHBondContact O-N 2.96Å; L101-K103 VanDerWaalsContact C-N 3.35Å; L101-K103 PolarHBondContact O-N 3.08Å; K103-N107 WeakPolarHBondContact O-CB 3.14Å; K103-N107 VanDerWaalsContact O-CG 3.32Å; K103-N107 PolarHBondContact O-N 3.14Å; K103-N107 PolarHBondContact O-ND2 3.41Å; K103-F160 HydrophobicContact CB-CZ 4.38Å; K103-V176 VanDerWaalsContact CE-O 3.3Å; K103-V176 WeakPolarHBondContact CE-O 3.43Å; K103-V176 PolarHBondContact NZ-O 3.46Å
104C92.2Very high90.8Very high34 Ų3442.6 Ų42.623%0.2322%0.217CC..Hα-helixtrans-62.8-44.9179.8-176.30000111.1V49 P100 L101 L108V49-C104 HydrophobicContact CG1-CB 4.21Å; P100-C104 WeakPolarHBondContact O-CB 3.28Å; P100-C104 PolarHBondContact O-N 3.26Å; L101-C104 PolarHBondContact O-N 3.26Å; C104-L108 WeakPolarHBondContact O-CG 3.35Å; C104-L108 PolarHBondContact O-N 3.37Å; C104-L108 VanDerWaalsContact O-N 3.09Å
105L93.9Very high90.8Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-66.7-47.3178.8-175.960.2000112.1V49 L52 F53 L75 L78 L101 A102 N107 L108 I109V49-L105 HydrophobicContact CG1-CB 3.87Å; V49-L105 HydrophobicContact CG1-CD1 4.2Å; L52-L105 HydrophobicContact CD2-CD1 4.23Å; L52-L105 HydrophobicContact CD2-CD2 4.22Å; F53-L105 HydrophobicContact CB-CD1 4.24Å; F53-L105 HydrophobicContact CD2-CD1 4.31Å; L75-L105 HydrophobicContact CD2-CD1 4.03Å; L75-L105 HydrophobicContact CD2-CD2 4.25Å; L75-L105 HydrophobicContact CD2-CG 4.49Å; L78-L105 HydrophobicContact CB-CD2 3.43Å; L78-L105 VanDerWaalsContact CB-CD2 3.43Å; L101-L105 WeakPolarHBondContact O-CB 3.4Å; L101-L105 PolarHBondContact O-N 3.41Å; A102-L105 PolarHBondContact O-N 3.41Å; L105-N107 VanDerWaalsContact C-N 3.32Å; L105-N107 PolarHBondContact O-N 3.22Å; L105-L108 WeakPolarHBondContact O-CB 3.21Å; L105-L108 PolarHBondContact O-N 3.08Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L105-I109 HydrophobicContact CD1-CD1 4.28Å; L105-I109 HydrophobicContact CD1-CG1 4.42Å; L105-I109 HydrophobicContact CG-CD1 3.93Å; L105-I109 WeakPolarHBondContact O-CG1 3.34Å; L105-I109 PolarHBondContact O-N 3.39Å
106R92.7Very high90.8Very high1 Ų144.8 Ų44.80%0.00423%0.228CC..Hα-helixtrans-56-46.4175.8-77.8-170.4-172.6-162.3-6111.6S79 A102 L108 I109 L110 W151 E154 D161S79-R106 VanDerWaalsContact O-CZ 3.25Å; S79-R106 PolarHBondContact O-NE 2.88Å; S79-R106 PolarHBondContact O-NH2 3.47Å; S79-R106 VanDerWaalsContact O-NH2 3.13Å; A102-R106 WeakPolarHBondContact O-CB 3.46Å; A102-R106 WeakPolarHBondContact O-CG 3.12Å; A102-R106 PolarHBondContact O-N 2.87Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 3.01Å; R106-I109 PolarHBondContact O-N 3.48Å; R106-L110 WeakPolarHBondContact O-CB 3.28Å; R106-L110 VanDerWaalsContact O-CG 3.24Å; R106-L110 WeakPolarHBondContact O-CG 3.35Å; R106-L110 PolarHBondContact O-N 3.39Å; R106-W151 HydrophobicContact CG-CZ2 4.15Å; R106-E154 IonicContact CZ-OE2 3.61Å; R106-E154 VanDerWaalsContact CZ-OE2 3.24Å; R106-E154 IonicContact NH1-OE2 3.63Å; R106-E154 PolarHBondContact NH1-OE2 3.09Å; R106-E154 IonicContact NH2-OE2 2.74Å; R106-E154 PolarHBondContact NH2-OE2 3.41Å; R106-D161 IonicContact NH2-OD1 2.82Å; R106-D161 PolarHBondContact NH2-OD1 3.06Å
107N91.3Very high90.8Very high34 Ų3439.7 Ų39.718%0.18220%0.202CC..Hα-helixtrans-60.4-43.7177.4-76.3-19.9000111.8K103 L105 I109 L110 D111K103-N107 WeakPolarHBondContact O-CB 3.14Å; K103-N107 VanDerWaalsContact O-CG 3.32Å; K103-N107 PolarHBondContact O-N 3.14Å; K103-N107 PolarHBondContact O-ND2 3.41Å; L105-N107 VanDerWaalsContact C-N 3.32Å; L105-N107 PolarHBondContact O-N 3.22Å; N107-I109 VanDerWaalsContact C-N 3.33Å; N107-I109 PolarHBondContact O-N 3Å; N107-L110 PolarHBondContact O-N 3.43Å; N107-D111 VanDerWaalsContact O-CB 3.24Å; N107-D111 WeakPolarHBondContact O-CB 3.39Å; N107-D111 PolarHBondContact O-N 3Å
108L92.6Very high90.7Very high36 Ų3635.2 Ų35.219%0.18819%0.189CC..Hα-helixtrans-61.6-40.4176.4-74.3167.7000112.5V49 F53 C104 L105 R106 N112V49-L108 HydrophobicContact CG1-CD1 4.15Å; F53-L108 HydrophobicContact CB-CB 4.5Å; F53-L108 HydrophobicContact CB-CD1 4.12Å; F53-L108 HydrophobicContact CD1-CB 4.18Å; F53-L108 HydrophobicContact CD2-CB 4.24Å; F53-L108 HydrophobicContact CG-CB 4.03Å; F53-L108 HydrophobicContact CG-CD1 4.48Å; C104-L108 WeakPolarHBondContact O-CG 3.35Å; C104-L108 PolarHBondContact O-N 3.37Å; C104-L108 VanDerWaalsContact O-N 3.09Å; L105-L108 WeakPolarHBondContact O-CB 3.21Å; L105-L108 PolarHBondContact O-N 3.08Å; L105-L108 VanDerWaalsContact O-N 3.14Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 3.01Å; L108-N112 PolarHBondContact O-N 2.96Å; L108-N112 PolarHBondContact O-ND2 2.98Å
109I93.9Very high90.3Very high3 Ų337.8 Ų37.82%0.01520%0.198CC..Hα-helixtrans-66.4-47.8176.2-62.6163.9000110.2F53 L75 L105 R106 N107 D111 N112 L113 F117 W151F53-I109 HydrophobicContact CD2-CG1 4.01Å; F53-I109 HydrophobicContact CE2-CB 4.38Å; F53-I109 HydrophobicContact CE2-CG1 3.77Å; L75-I109 HydrophobicContact CB-CD1 3.98Å; L75-I109 HydrophobicContact CD1-CD1 4.26Å; L75-I109 HydrophobicContact CD1-CG1 4.46Å; L75-I109 HydrophobicContact CD2-CD1 4.15Å; L75-I109 HydrophobicContact CG-CD1 4.35Å; L105-I109 HydrophobicContact CD1-CD1 4.28Å; L105-I109 HydrophobicContact CD1-CG1 4.42Å; L105-I109 HydrophobicContact CG-CD1 3.93Å; L105-I109 WeakPolarHBondContact O-CG1 3.34Å; L105-I109 PolarHBondContact O-N 3.39Å; R106-I109 PolarHBondContact O-N 3.48Å; N107-I109 VanDerWaalsContact C-N 3.33Å; N107-I109 PolarHBondContact O-N 3Å; I109-D111 PolarHBondContact O-N 3.18Å; I109-N112 CarbonylContact O-C 3.42Å; I109-N112 PolarHBondContact O-N 3.43Å; I109-N112 VanDerWaalsContact O-N 3.11Å; I109-L113 PolarHBondContact O-N 3.18Å; I109-F117 HydrophobicContact CG2-CE2 3.93Å; I109-W151 HydrophobicContact CB-CH2 4.27Å; I109-W151 HydrophobicContact CB-CZ3 4.42Å; I109-W151 HydrophobicContact CD1-CH2 3.89Å; I109-W151 HydrophobicContact CG2-CH2 3.87Å; I109-W151 HydrophobicContact CG2-CZ3 3.78Å
110L91.9Very high90.2Very high0 Ų036.3 Ų36.30%019%0.191CC..Hα-helixtrans-64.3-40.5-177.9-69.2173000111.9R106 N107 N112 L113 W151 W175 A181 Q184 L185R106-L110 WeakPolarHBondContact O-CB 3.28Å; R106-L110 VanDerWaalsContact O-CG 3.24Å; R106-L110 WeakPolarHBondContact O-CG 3.35Å; R106-L110 PolarHBondContact O-N 3.39Å; N107-L110 PolarHBondContact O-N 3.43Å; L110-N112 PolarHBondContact O-N 2.88Å; L110-L113 HydrophobicContact CD2-CD1 3.98Å; L110-L113 HydrophobicContact CD2-CD2 4.07Å; L110-L113 HydrophobicContact CD2-CG 4.23Å; L110-L113 WeakPolarHBondContact O-CG 3.39Å; L110-L113 PolarHBondContact O-N 3.49Å; L110-W151 HydrophobicContact CD2-CE3 3.81Å; L110-W151 HydrophobicContact CD2-CZ3 4.05Å; L110-W151 HydrophobicContact CG-CE3 4.43Å; L110-W151 HydrophobicContact CG-CZ3 4.42Å; L110-W175 HydrophobicContact CD1-CH2 4.49Å; L110-W175 HydrophobicContact CD1-CZ2 4.24Å; L110-A181 HydrophobicContact CB-CB 3.66Å; L110-A181 HydrophobicContact CD1-CB 3.71Å; L110-A181 HydrophobicContact CG-CB 4.29Å; L110-Q184 PolarHBondContact O-OE1 3.19Å; L110-Q184 VanDerWaalsContact O-OE1 3.05Å; L110-L185 HydrophobicContact CD2-CB 4.17Å; L110-L185 HydrophobicContact CD2-CD1 4.18Å
111D89.7Confident89.9Confident50 Ų5032.2 Ų32.227%0.26716%0.164SC..Hα-helixtrans-62.1-27.1175.4-76.2-27.9000112.6N107 I109 R180 Q184N107-D111 VanDerWaalsContact O-CB 3.24Å; N107-D111 WeakPolarHBondContact O-CB 3.39Å; N107-D111 PolarHBondContact O-N 3Å; I109-D111 PolarHBondContact O-N 3.18Å; D111-R180 WeakPolarHBondContact OD1-CD 3.39Å; D111-R180 IonicContact OD1-NE 3.47Å; D111-R180 PolarHBondContact OD1-NE 2.91Å; D111-Q184 VanDerWaalsContact CA-OE1 3.26Å; D111-Q184 PolarHBondContact O-NE2 2.84Å; D111-Q184 PolarHBondContact OD1-OE1 2.91Å
112N90.5Very high89Confident55 Ų5534.9 Ų34.929%0.29418%0.177SC..THydrogen-bonded Turntrans-121.234.7-177-59.4-84.5000112F53 L108 I109 L110 Q114 D115 T116F53-N112 HydrophobicContact CE1-CB 4.19Å; F53-N112 HydrophobicContact CZ-CB 3.82Å; L108-N112 PolarHBondContact O-N 2.96Å; L108-N112 PolarHBondContact O-ND2 2.98Å; I109-N112 CarbonylContact O-C 3.42Å; I109-N112 PolarHBondContact O-N 3.43Å; I109-N112 VanDerWaalsContact O-N 3.11Å; L110-N112 PolarHBondContact O-N 2.88Å; N112-Q114 VanDerWaalsContact C-N 3.27Å; N112-Q114 PolarHBondContact O-N 2.97Å; N112-D115 HydrophobicContact CB-CB 4.48Å; N112-D115 PolarHBondContact O-N 3.5Å; N112-T116 WeakPolarHBondContact O-CG2 3.42Å; N112-T116 PolarHBondContact O-N 3.1Å; N112-T116 PolarHBondContact O-OG1 3.33Å
113L89.2Confident87.6Confident7 Ų738.1 Ų38.14%0.03719%0.193CC..Hα-helixtrans-54.4-44.1-178.3-83.7171.7000112.5I109 L110 D115 T116 F117 L148 Q184 L185 F188I109-L113 PolarHBondContact O-N 3.18Å; L110-L113 HydrophobicContact CD2-CD1 3.98Å; L110-L113 HydrophobicContact CD2-CD2 4.07Å; L110-L113 HydrophobicContact CD2-CG 4.23Å; L110-L113 WeakPolarHBondContact O-CG 3.39Å; L110-L113 PolarHBondContact O-N 3.49Å; L113-D115 VanDerWaalsContact C-N 3.35Å; L113-D115 PolarHBondContact O-N 2.92Å; L113-T116 WeakPolarHBondContact CA-OG1 3.43Å; L113-T116 PolarHBondContact O-N 3.48Å; L113-T116 PolarHBondContact O-OG1 3.44Å; L113-F117 HydrophobicContact CD2-CD2 3.43Å; L113-F117 VanDerWaalsContact CD2-CD2 3.43Å; L113-F117 HydrophobicContact CD2-CE2 3.44Å; L113-F117 VanDerWaalsContact CD2-CE2 3.44Å; L113-F117 HydrophobicContact CD2-CG 4.44Å; L113-F117 HydrophobicContact CD2-CZ 4.44Å; L113-F117 WeakPolarHBondContact O-CB 3.41Å; L113-F117 PolarHBondContact O-N 3.49Å; L113-L148 HydrophobicContact CD2-CD2 3.82Å; L113-Q184 HydrophobicContact CD1-CB 4.26Å; L113-L185 HydrophobicContact CD1-CB 4.23Å; L113-L185 HydrophobicContact CD1-CD1 4.03Å; L113-F188 HydrophobicContact CD1-CB 4.19Å
114Q85.1Confident85.9Confident155 Ų15540.7 Ų40.772%0.72421%0.207SC*.Hα-helixtrans-61.5-43.7-179.1-174.8173.60.100111.7N112 S118N112-Q114 VanDerWaalsContact C-N 3.27Å; N112-Q114 PolarHBondContact O-N 2.97Å; Q114-S118 WeakPolarHBondContact O-CB 3.09Å; Q114-S118 PolarHBondContact O-N 2.81Å; Q114-S118 PolarHBondContact O-OG 2.84Å
115D85.3Confident83.9Confident83 Ų8342 Ų4244%0.44422%0.216SC..Hα-helixtrans-74-27.5-179.3-72.2-17.9000112.8N112 L113 Y119N112-D115 HydrophobicContact CB-CB 4.48Å; N112-D115 PolarHBondContact O-N 3.5Å; L113-D115 VanDerWaalsContact C-N 3.35Å; L113-D115 PolarHBondContact O-N 2.92Å; D115-Y119 WeakPolarHBondContact O-CD2 3.44Å; D115-Y119 WeakPolarHBondContact O-CE2 3.26Å
116T88.2Confident81.7Confident0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-88.3-52.6-177.948.90000111.5F53 L60 N112 L113 Y119F53-T116 HydrophobicContact CE2-CG2 3.65Å; F53-T116 HydrophobicContact CZ-CG2 3.56Å; L60-T116 HydrophobicContact CD1-CG2 4.36Å; N112-T116 WeakPolarHBondContact O-CG2 3.42Å; N112-T116 PolarHBondContact O-N 3.1Å; N112-T116 PolarHBondContact O-OG1 3.33Å; L113-T116 WeakPolarHBondContact CA-OG1 3.43Å; L113-T116 PolarHBondContact O-N 3.48Å; L113-T116 PolarHBondContact O-OG1 3.44Å; T116-Y119 PolarHBondContact O-N 3.41Å
117F89.7Confident79.2Confident3 Ų354.1 Ų54.11%0.01328%0.275CS..Hα-helixtrans-80.4-18-174.6-76.9-96.5000113.8I109 L113 Y119 M120 V121 A144 L147 L148 F188I109-F117 HydrophobicContact CG2-CE2 3.93Å; L113-F117 HydrophobicContact CD2-CD2 3.43Å; L113-F117 VanDerWaalsContact CD2-CD2 3.43Å; L113-F117 HydrophobicContact CD2-CE2 3.44Å; L113-F117 VanDerWaalsContact CD2-CE2 3.44Å; L113-F117 HydrophobicContact CD2-CG 4.44Å; L113-F117 HydrophobicContact CD2-CZ 4.44Å; L113-F117 WeakPolarHBondContact O-CB 3.41Å; L113-F117 PolarHBondContact O-N 3.49Å; F117-Y119 PolarHBondContact O-N 2.91Å; F117-M120 HydrophobicContact CD1-SD 4.19Å; F117-M120 HydrophobicContact CE1-SD 4.22Å; F117-M120 PolarHBondContact O-N 2.93Å; F117-V121 HydrophobicContact CD1-CG2 4.09Å; F117-V121 PolarHBondContact O-N 3.48Å; F117-A144 HydrophobicContact CD1-CB 4.06Å; F117-A144 HydrophobicContact CE1-CB 3.9Å; F117-L147 HydrophobicContact CZ-CD2 4.4Å; F117-L148 HydrophobicContact CD1-CD1 3.63Å; F117-L148 HydrophobicContact CD1-CD2 4.12Å; F117-L148 HydrophobicContact CD1-CG 3.96Å; F117-L148 HydrophobicContact CD2-CD2 4.26Å; F117-L148 HydrophobicContact CE1-CD1 3.68Å; F117-L148 HydrophobicContact CE1-CD2 3.67Å; F117-L148 HydrophobicContact CE1-CG 3.47Å; F117-L148 VanDerWaalsContact CE1-CG 3.47Å; F117-L148 HydrophobicContact CE2-CD2 3.84Å; F117-L148 HydrophobicContact CG-CD1 4.32Å; F117-L148 HydrophobicContact CG-CD2 4.4Å; F117-L148 HydrophobicContact CZ-CD1 4.4Å; F117-L148 HydrophobicContact CZ-CD2 3.52Å; F117-L148 HydrophobicContact CZ-CG 3.81Å; F117-F188 HydrophobicContact CB-CE1 3.93Å; F117-F188 HydrophobicContact CB-CZ 3.72Å; F117-F188 HydrophobicContact CG-CE1 4.33Å
118S86.3Confident77.5Confident49 Ų4955.5 Ų55.534%0.34329%0.292SS..THydrogen-bonded Turntrans-60.5-24.6170.7570000113.6Q114Q114-S118 WeakPolarHBondContact O-CB 3.09Å; Q114-S118 PolarHBondContact O-N 2.81Å; Q114-S118 PolarHBondContact O-OG 2.84Å
119Y84.5Confident76Confident73 Ų7359.4 Ų59.429%0.28632%0.319SS..THydrogen-bonded Turntrans-86.9-16.7174.5-61.2-63.6000113.6L60 R61 R68 D115 T116 F117L60-Y119 HydrophobicContact CB-CD2 3.94Å; L60-Y119 HydrophobicContact CB-CG 4.29Å; R61-Y119 HydrophobicContact CG-CE1 4.37Å; R61-Y119 HydrophobicContact CG-CE2 3.93Å; R68-Y119 VanDerWaalsContact CD-O 3.24Å; R68-Y119 WeakPolarHBondContact CD-O 3.47Å; R68-Y119 PolarHBondContact NH1-O 3.18Å; D115-Y119 WeakPolarHBondContact O-CD2 3.44Å; D115-Y119 WeakPolarHBondContact O-CE2 3.26Å; T116-Y119 PolarHBondContact O-N 3.41Å; F117-Y119 PolarHBondContact O-N 2.91Å
120M87.5Confident74.5Confident5 Ų562.8 Ų62.83%0.02534%0.336CS..THydrogen-bonded Turntrans-103.9-38.4-173.8-55.8177.9-177.100112.6L60 L72 L75 F117 L140 Q141 A144L60-M120 HydrophobicContact CD1-CE 3.69Å; L60-M120 HydrophobicContact CD2-CE 3.42Å; L60-M120 VanDerWaalsContact CD2-CE 3.42Å; L60-M120 HydrophobicContact CD2-CG 4.25Å; L60-M120 HydrophobicContact CG-CE 4.2Å; L72-M120 HydrophobicContact CB-CE 4.23Å; L72-M120 HydrophobicContact CB-SD 4.23Å; L72-M120 HydrophobicContact CD1-CE 4.32Å; L72-M120 HydrophobicContact CD1-SD 3.82Å; L72-M120 HydrophobicContact CG-SD 4.44Å; L75-M120 HydrophobicContact CD1-CE 4.38Å; F117-M120 HydrophobicContact CD1-SD 4.19Å; F117-M120 HydrophobicContact CE1-SD 4.22Å; F117-M120 PolarHBondContact O-N 2.93Å; M120-L140 HydrophobicContact CB-CD1 4.04Å; M120-L140 HydrophobicContact CB-CD2 4.48Å; M120-L140 HydrophobicContact CB-CG 4.15Å; M120-L140 HydrophobicContact CG-CD1 4.04Å; M120-Q141 WeakPolarHBondContact O-CG 3.12Å; M120-A144 HydrophobicContact CB-CB 3.93Å; M120-A144 HydrophobicContact SD-CB 4.39Å
121V84.3Confident73.5Confident3 Ų364.7 Ų64.72%0.01835%0.346CS..SBendtrans-104.1129.2-178-177.70000108.8F117 L123 A144 I145 L192 T209F117-V121 HydrophobicContact CD1-CG2 4.09Å; F117-V121 PolarHBondContact O-N 3.48Å; V121-L123 PolarHBondContact O-N 3.41Å; V121-L123 VanDerWaalsContact O-N 3.13Å; V121-A144 HydrophobicContact CG2-CB 4.01Å; V121-I145 HydrophobicContact CG2-CG1 4.31Å; V121-L192 HydrophobicContact CG1-CD2 4.18Å; V121-T209 HydrophobicContact CG1-CG2 3.93Å
122Q75.4Confident72.9Confident63 Ų6368.2 Ų68.229%0.29436%0.364SS..  trans-73.2104.4172.4-79.2175.1-11.700109.3T209Q122-T209 PolarHBondContact O-OG1 3.37Å
123L64.3Low72.5Confident67 Ų6768.2 Ų68.235%0.35137%0.367SS..  trans-86.7-25.2179.4-63.9154.1000112.2V121 F188 F191 L192V121-L123 PolarHBondContact O-N 3.41Å; V121-L123 VanDerWaalsContact O-N 3.13Å; L123-F188 HydrophobicContact CD2-CZ 4.49Å; L123-F191 HydrophobicContact CD2-CD1 4.22Å; L123-F191 HydrophobicContact CD2-CE1 3.59Å; L123-L192 HydrophobicContact CD2-CD2 3.69Å
124E55.1Low72.2Confident133 Ų13374.2 Ų74.262%0.62139%0.393SS*.  trans-108.3125.5-176.8-65.9-179-17100111S127E124-S127 PolarHBondContact OE2-OG 3.22Å
125S51.6Low72.2Confident62 Ų6274.4 Ų74.443%0.43439%0.394SS..SBendtrans-80-13.2-17541.10000115.2
126Y45.8Very low72.2Confident177 Ų17770.6 Ų70.669%0.69437%0.374SS*.SBendtrans-134.22.8-165.4-67.1-70.8000118.7
127S42.1Very low72.1Confident79 Ų7970.7 Ų70.755%0.55238%0.375SS*.SBendtrans-132.8-29.6-170.959.90000116.1E124 P129E124-S127 PolarHBondContact OE2-OG 3.22Å; S127-P129 WeakPolarHBondContact O-CD 3.24Å
128A55.3Low72Confident63 Ų6377.6 Ų77.652%0.52141%0.405SS..SBendtrans-93.1114.9-17400000111.4I130A128-I130 PolarHBondContact O-N 3.34Å
129P60.4Low72.1Confident117 Ų11778.8 Ų78.876%0.7641%0.405SS*.PPolyproline II helixtrans-58.5131.7173.622.3-30.7000110S127 L131S127-P129 WeakPolarHBondContact O-CD 3.24Å; P129-L131 PolarHBondContact O-N 3.44Å
130I62.6Low72.4Confident75 Ų7575.4 Ų75.439%0.38539%0.392SS..PPolyproline II helixtrans-48.4127.9175.9-60.7170000109A128 K134 A137A128-I130 PolarHBondContact O-N 3.34Å; I130-K134 HydrophobicContact CG2-CB 4.37Å; I130-K134 HydrophobicContact CG2-CG 4.09Å; I130-A137 HydrophobicContact CG2-CB 3.91Å
131L70.8Confident72.6Confident39 Ų3976.2 Ų76.220%0.20440%0.396CS..PPolyproline II helixtrans-59.7145.6179-61.4167.4000110.8A65 P129 P133 A137A65-L131 HydrophobicContact CB-CB 3.82Å; P129-L131 PolarHBondContact O-N 3.44Å; L131-P133 CarbonylContact O-C 3.51Å; L131-A137 HydrophobicContact CB-CB 4.24Å; L131-A137 WeakPolarHBondContact O-CB 3.35Å
132L76.3Confident72.9Confident125 Ų12579 Ų7965%0.65441%0.408SS*.SBendtrans-93.8141.6173.2-74.281.7000110.1A65A65-L132 PolarHBondContact N-O 3.24Å; A65-L132 VanDerWaalsContact N-O 3.08Å
133P83.1Confident73.8Confident54 Ų5477.2 Ų77.235%0.35140%0.399SS..SBendcis-68144.8-7.9-18.933000113.6A65 L131 E135 A136 A137A65-P133 WeakPolarHBondContact CB-O 3.24Å; L131-P133 CarbonylContact O-C 3.51Å; P133-E135 VanDerWaalsContact C-N 3.33Å; P133-E135 PolarHBondContact O-N 3.01Å; P133-A136 HydrophobicContact CB-CB 4.33Å; P133-A136 PolarHBondContact O-N 3.38Å; P133-A137 PolarHBondContact O-N 3.45Å; P133-A137 VanDerWaalsContact O-N 3.08Å
134K82.5Confident75.1Confident133 Ų13374 Ų7458%0.57838%0.383SS*.Hα-helixtrans-65.3-34.9-175.8-67.8-176.8179.1179.50113I130 A137 K138I130-K134 HydrophobicContact CG2-CB 4.37Å; I130-K134 HydrophobicContact CG2-CG 4.09Å; K134-A137 PolarHBondContact O-N 3.12Å; K134-K138 WeakPolarHBondContact O-CG 3.49Å; K134-K138 PolarHBondContact O-N 2.66Å; K134-K138 VanDerWaalsContact O-N 3.14Å
135E84.8Confident76.9Confident159 Ų15967.8 Ų67.874%0.74335%0.353SS*.Hα-helixtrans-62.3-52.8176.5-71.4141.1-159.600110.6P133 A137 K138 E139P133-E135 VanDerWaalsContact C-N 3.33Å; P133-E135 PolarHBondContact O-N 3.01Å; E135-A137 PolarHBondContact O-N 3.02Å; E135-K138 PolarHBondContact O-N 3.12Å; E135-E139 PolarHBondContact O-N 2.84Å
136A86Confident78.9Confident3 Ų366.5 Ų66.53%0.02534%0.341CS..Hα-helixtrans-58.3-33.4175.800000112.7A65 L69 P133 L140A65-A136 HydrophobicContact CB-CB 3.89Å; L69-A136 HydrophobicContact CD2-CB 4.41Å; P133-A136 HydrophobicContact CB-CB 4.33Å; P133-A136 PolarHBondContact O-N 3.38Å; A136-L140 WeakPolarHBondContact O-CB 3.39Å; A136-L140 PolarHBondContact O-N 3.28Å
137A86.1Confident81.2Confident3 Ų358.4 Ų58.43%0.02531%0.309CS..Hα-helixtrans-69.5-37.2176.500000112.8A65 I130 L131 P133 K134 E135 Q141A65-A137 HydrophobicContact CB-CB 3.88Å; I130-A137 HydrophobicContact CG2-CB 3.91Å; L131-A137 HydrophobicContact CB-CB 4.24Å; L131-A137 WeakPolarHBondContact O-CB 3.35Å; P133-A137 PolarHBondContact O-N 3.45Å; P133-A137 VanDerWaalsContact O-N 3.08Å; K134-A137 PolarHBondContact O-N 3.12Å; E135-A137 PolarHBondContact O-N 3.02Å; A137-Q141 WeakPolarHBondContact O-CG 3.44Å; A137-Q141 PolarHBondContact O-N 2.9Å
138K87.4Confident83.6Confident147 Ų14754.7 Ų54.764%0.63928%0.283SS*.Hα-helixtrans-69.6-44.1175-70.8178.4178.7-177.50111.2K134 E135 Q141 F142K134-K138 WeakPolarHBondContact O-CG 3.49Å; K134-K138 PolarHBondContact O-N 2.66Å; K134-K138 VanDerWaalsContact O-N 3.14Å; E135-K138 PolarHBondContact O-N 3.12Å; K138-Q141 PolarHBondContact O-N 3.29Å; K138-F142 WeakPolarHBondContact O-CB 3.31Å; K138-F142 PolarHBondContact O-N 3.13Å
139E89.3Confident85.4Confident75 Ų7552.1 Ų52.135%0.3526%0.261SS..Hα-helixtrans-61.8-43.9176.7-171.8174-163.100111.2L69 R73 E135 Q141 F142 E143L69-E139 HydrophobicContact CD1-CG 4.34Å; L69-E139 HydrophobicContact CD2-CB 4.41Å; L69-E139 HydrophobicContact CD2-CG 4.18Å; R73-E139 IonicContact CZ-OE1 3.26Å; R73-E139 IonicContact NH2-OE1 3.39Å; R73-E139 PolarHBondContact NH2-OE1 3.4Å; R73-E139 IonicContact NH2-OE2 2.8Å; E135-E139 PolarHBondContact O-N 2.84Å; E139-Q141 PolarHBondContact O-N 2.87Å; E139-F142 PolarHBondContact O-N 2.76Å; E139-E143 WeakPolarHBondContact O-CB 3.49Å; E139-E143 PolarHBondContact O-N 3.03Å
140L90.8Very high86.9Confident2 Ų247.1 Ų47.11%0.0123%0.228CC..Hα-helixtrans-55.6-47.8173.5174.366.2000112.5R68 L69 L72 M120 A136 A144R68-L140 HydrophobicContact CB-CD1 4.25Å; R68-L140 HydrophobicContact CB-CD2 3.58Å; L69-L140 HydrophobicContact CB-CB 4.45Å; L69-L140 HydrophobicContact CB-CD1 4.38Å; L69-L140 HydrophobicContact CD1-CB 4.34Å; L69-L140 HydrophobicContact CD1-CD1 4.48Å; L72-L140 HydrophobicContact CB-CD1 4.03Å; L72-L140 HydrophobicContact CD2-CD1 3.82Å; M120-L140 HydrophobicContact CB-CD1 4.04Å; M120-L140 HydrophobicContact CB-CD2 4.48Å; M120-L140 HydrophobicContact CB-CG 4.15Å; M120-L140 HydrophobicContact CG-CD1 4.04Å; A136-L140 WeakPolarHBondContact O-CB 3.39Å; A136-L140 PolarHBondContact O-N 3.28Å; L140-A144 WeakPolarHBondContact O-CB 3.36Å; L140-A144 PolarHBondContact O-N 2.74Å
141Q90.8Very high88.4Confident22 Ų2243.7 Ų43.710%0.10321%0.21CC..Hα-helixtrans-64-44.2178.5-74.5176.135.800111.9M120 A137 K138 E139 A144 I145 L212M120-Q141 WeakPolarHBondContact O-CG 3.12Å; A137-Q141 WeakPolarHBondContact O-CG 3.44Å; A137-Q141 PolarHBondContact O-N 2.9Å; K138-Q141 PolarHBondContact O-N 3.29Å; E139-Q141 PolarHBondContact O-N 2.87Å; Q141-A144 PolarHBondContact O-N 2.93Å; Q141-I145 WeakPolarHBondContact O-CD1 3.39Å; Q141-I145 VanDerWaalsContact O-CG1 3.32Å; Q141-I145 WeakPolarHBondContact O-CG1 3.44Å; Q141-I145 PolarHBondContact O-N 2.82Å; Q141-L212 HydrophobicContact CB-CD2 4.27Å
142F91.5Very high89.4Confident62 Ų6244.3 Ų44.327%0.27221%0.212SC..Hα-helixtrans-60.9-53.9178.7-179.7-88.6000111.1K138 E139 A144 I145 E146 L212 I216K138-F142 WeakPolarHBondContact O-CB 3.31Å; K138-F142 PolarHBondContact O-N 3.13Å; E139-F142 PolarHBondContact O-N 2.76Å; F142-A144 VanDerWaalsContact C-N 3.3Å; F142-A144 PolarHBondContact O-N 3.34Å; F142-I145 PolarHBondContact O-N 3.32Å; F142-E146 VanDerWaalsContact O-CB 3.3Å; F142-E146 WeakPolarHBondContact O-CB 3.38Å; F142-E146 PolarHBondContact O-N 3.43Å; F142-L212 HydrophobicContact CD2-CD1 3.95Å; F142-I216 HydrophobicContact CD2-CD1 3.92Å; F142-I216 HydrophobicContact CD2-CG1 3.93Å; F142-I216 HydrophobicContact CE2-CD1 3.95Å; F142-I216 HydrophobicContact CE2-CG1 3.47Å; F142-I216 VanDerWaalsContact CE2-CG1 3.47Å; F142-I216 HydrophobicContact CZ-CG1 4.11Å
143E92.4Very high90Very high24 Ų2441 Ų4111%0.11219%0.191CC..Hα-helixtrans-63.4-35.3179.8-74.8-170.6-146.100112.2L72 R73 E139 L147L72-E143 HydrophobicContact CD2-CB 3.57Å; R73-E143 WeakPolarHBondContact CG-OE2 3.4Å; R73-E143 IonicContact CZ-OE1 3.11Å; R73-E143 IonicContact NE-OE1 2.8Å; R73-E143 PolarHBondContact NE-OE1 3.05Å; R73-E143 VanDerWaalsContact NE-OE1 3.15Å; R73-E143 IonicContact NE-OE2 3.18Å; R73-E143 PolarHBondContact NE-OE2 3.23Å; R73-E143 IonicContact NH2-OE1 3.45Å; R73-E143 PolarHBondContact NH2-OE1 3.28Å; E139-E143 WeakPolarHBondContact O-CB 3.49Å; E139-E143 PolarHBondContact O-N 3.03Å; E143-L147 VanDerWaalsContact O-CB 3.31Å; E143-L147 WeakPolarHBondContact O-CB 3.45Å; E143-L147 PolarHBondContact O-N 3.09Å
144A93.5Very high90.4Very high0 Ų038.8 Ų38.80%018%0.176CC..Hα-helixtrans-66.4-46.4178.600000111.3L72 F117 M120 V121 L140 Q141 F142 L147 L148L72-A144 HydrophobicContact CD2-CB 3.98Å; F117-A144 HydrophobicContact CD1-CB 4.06Å; F117-A144 HydrophobicContact CE1-CB 3.9Å; M120-A144 HydrophobicContact CB-CB 3.93Å; M120-A144 HydrophobicContact SD-CB 4.39Å; V121-A144 HydrophobicContact CG2-CB 4.01Å; L140-A144 WeakPolarHBondContact O-CB 3.36Å; L140-A144 PolarHBondContact O-N 2.74Å; Q141-A144 PolarHBondContact O-N 2.93Å; F142-A144 VanDerWaalsContact C-N 3.3Å; F142-A144 PolarHBondContact O-N 3.34Å; A144-L147 PolarHBondContact O-N 3.46Å; A144-L148 WeakPolarHBondContact O-CG 3.29Å; A144-L148 PolarHBondContact O-N 2.88Å; A144-L148 VanDerWaalsContact O-N 3.09Å
145I92.6Very high90.7Very high2 Ų232.9 Ų32.91%0.0115%0.151CC..Hα-helixtrans-67.4-41.1177.3-67163.7000110.3V121 Q141 F142 L147 L148 L149 T209 L212 I213 I216V121-I145 HydrophobicContact CG2-CG1 4.31Å; Q141-I145 WeakPolarHBondContact O-CD1 3.39Å; Q141-I145 VanDerWaalsContact O-CG1 3.32Å; Q141-I145 WeakPolarHBondContact O-CG1 3.44Å; Q141-I145 PolarHBondContact O-N 2.82Å; F142-I145 PolarHBondContact O-N 3.32Å; I145-L147 VanDerWaalsContact C-N 3.31Å; I145-L147 PolarHBondContact O-N 3.23Å; I145-L148 PolarHBondContact O-N 3.44Å; I145-L149 HydrophobicContact CG2-CD1 3.86Å; I145-L149 HydrophobicContact CG2-CG 4.28Å; I145-L149 VanDerWaalsContact O-CG 3.31Å; I145-L149 WeakPolarHBondContact O-CG 3.43Å; I145-L149 PolarHBondContact O-N 3.06Å; I145-T209 HydrophobicContact CD1-CG2 3.83Å; I145-L212 HydrophobicContact CD1-CB 4.23Å; I145-L212 HydrophobicContact CD1-CD2 3.51Å; I145-L212 HydrophobicContact CD1-CG 3.9Å; I145-I213 HydrophobicContact CG2-CG1 3.59Å; I145-I216 HydrophobicContact CB-CD1 3.98Å; I145-I216 HydrophobicContact CG2-CD1 3.63Å
146E93Very high90.8Very high36 Ų3631.2 Ų31.217%0.16814%0.143CC..Hα-helixtrans-56.2-47.5175-169.6-171.2-132.100110.8R76 F142 L148 L149 D150 R220R76-E146 IonicContact CZ-OE2 2.66Å; R76-E146 IonicContact NH1-OE2 3.61Å; R76-E146 PolarHBondContact NH1-OE2 2.94Å; R76-E146 IonicContact NH2-OE2 3.77Å; R76-E146 PolarHBondContact NH2-OE2 3.14Å; F142-E146 VanDerWaalsContact O-CB 3.3Å; F142-E146 WeakPolarHBondContact O-CB 3.38Å; F142-E146 PolarHBondContact O-N 3.43Å; E146-L148 PolarHBondContact O-N 3.42Å; E146-L149 PolarHBondContact O-N 3.38Å; E146-D150 WeakPolarHBondContact O-CB 3.46Å; E146-D150 PolarHBondContact O-N 3.46Å; E146-R220 VanDerWaalsContact CG-NH2 3.27Å; E146-R220 PolarHBondContact O-NH2 2.96Å
147L93.9Very high90.9Very high6 Ų635.2 Ų35.23%0.03116%0.161CC..Hα-helixtrans-60.2-43.3177.8-178.162.2000112.7L72 R76 F117 E143 A144 I145 D150 W151L72-L147 HydrophobicContact CD1-CD2 3.61Å; R76-L147 HydrophobicContact CB-CD1 4.4Å; R76-L147 HydrophobicContact CB-CD2 4.31Å; R76-L147 HydrophobicContact CG-CD1 3.9Å; F117-L147 HydrophobicContact CZ-CD2 4.4Å; E143-L147 VanDerWaalsContact O-CB 3.31Å; E143-L147 WeakPolarHBondContact O-CB 3.45Å; E143-L147 PolarHBondContact O-N 3.09Å; A144-L147 PolarHBondContact O-N 3.46Å; I145-L147 VanDerWaalsContact C-N 3.31Å; I145-L147 PolarHBondContact O-N 3.23Å; L147-D150 PolarHBondContact O-N 3.26Å; L147-W151 HydrophobicContact CD1-CD2 4.19Å; L147-W151 HydrophobicContact CD1-CZ2 3.81Å; L147-W151 HydrophobicContact CD2-CH2 3.97Å; L147-W151 HydrophobicContact CD2-CZ2 3.91Å; L147-W151 HydrophobicContact CD2-CZ3 4.47Å; L147-W151 HydrophobicContact CG-CD2 4.16Å; L147-W151 HydrophobicContact CG-CE3 4.46Å; L147-W151 HydrophobicContact CG-CH2 4.28Å; L147-W151 HydrophobicContact CG-CZ2 3.95Å; L147-W151 WeakPolarHBondContact O-CB 3.36Å; L147-W151 PolarHBondContact O-N 3.42Å
148L93.5Very high90.9Very high2 Ų236.1 Ų36.11%0.0117%0.171CC..Hα-helixtrans-63.3-43.2178.4-69.7169.2000111.9L113 F117 A144 I145 E146 W151 E152 L185 F188 L192L113-L148 HydrophobicContact CD2-CD2 3.82Å; F117-L148 HydrophobicContact CD1-CD1 3.63Å; F117-L148 HydrophobicContact CD1-CD2 4.12Å; F117-L148 HydrophobicContact CD1-CG 3.96Å; F117-L148 HydrophobicContact CD2-CD2 4.26Å; F117-L148 HydrophobicContact CE1-CD1 3.68Å; F117-L148 HydrophobicContact CE1-CD2 3.67Å; F117-L148 HydrophobicContact CE1-CG 3.47Å; F117-L148 VanDerWaalsContact CE1-CG 3.47Å; F117-L148 HydrophobicContact CE2-CD2 3.84Å; F117-L148 HydrophobicContact CG-CD1 4.32Å; F117-L148 HydrophobicContact CG-CD2 4.4Å; F117-L148 HydrophobicContact CZ-CD1 4.4Å; F117-L148 HydrophobicContact CZ-CD2 3.52Å; F117-L148 HydrophobicContact CZ-CG 3.81Å; A144-L148 WeakPolarHBondContact O-CG 3.29Å; A144-L148 PolarHBondContact O-N 2.88Å; A144-L148 VanDerWaalsContact O-N 3.09Å; I145-L148 PolarHBondContact O-N 3.44Å; E146-L148 PolarHBondContact O-N 3.42Å; L148-W151 PolarHBondContact O-N 2.89Å; L148-E152 PolarHBondContact O-N 3.38Å; L148-L185 HydrophobicContact CB-CD1 4.33Å; L148-L185 HydrophobicContact CD2-CD1 3.46Å; L148-L185 VanDerWaalsContact CD2-CD1 3.46Å; L148-L185 HydrophobicContact CG-CD1 4.48Å; L148-F188 HydrophobicContact CD1-CD1 3.89Å; L148-F188 HydrophobicContact CD1-CE1 3.63Å; L148-F188 HydrophobicContact CD2-CD1 4.42Å; L148-L192 HydrophobicContact CD1-CD1 4.1Å
149L92.9Very high91Very high8 Ų834 Ų344%0.04216%0.159CC..Hα-helixtrans-72.3-31178.7-63.6172.4000111.9I145 E146 Y153 I213 I216 R220I145-L149 HydrophobicContact CG2-CD1 3.86Å; I145-L149 HydrophobicContact CG2-CG 4.28Å; I145-L149 VanDerWaalsContact O-CG 3.31Å; I145-L149 WeakPolarHBondContact O-CG 3.43Å; I145-L149 PolarHBondContact O-N 3.06Å; E146-L149 PolarHBondContact O-N 3.38Å; L149-Y153 PolarHBondContact O-N 2.82Å; L149-I213 HydrophobicContact CD1-CG2 4.38Å; L149-I213 HydrophobicContact CD2-CG2 4.45Å; L149-I216 HydrophobicContact CD1-CB 4.32Å; L149-I216 HydrophobicContact CD1-CG2 3.79Å; L149-R220 PolarHBondContact O-NH1 3.18Å
150D92Very high91Very high13 Ų1330.4 Ų30.47%0.0714%0.142CC..Hα-helixtrans-64-47.3170.7-71.7-16.1000109.7R76 E146 L147 E152 Y153 E154 T163 W165 R220R76-D150 IonicContact NH2-OD2 3.36Å; R76-D150 PolarHBondContact NH2-OD2 2.87Å; R76-D150 VanDerWaalsContact NH2-OD2 3.13Å; E146-D150 WeakPolarHBondContact O-CB 3.46Å; E146-D150 PolarHBondContact O-N 3.46Å; L147-D150 PolarHBondContact O-N 3.26Å; D150-E152 PolarHBondContact O-N 2.93Å; D150-Y153 PolarHBondContact O-N 2.88Å; D150-E154 WeakPolarHBondContact O-CG 3.31Å; D150-E154 PolarHBondContact O-N 3.31Å; D150-T163 HydrophobicContact CB-CG2 4.38Å; D150-W165 PolarHBondContact OD1-NE1 3.46Å; D150-R220 IonicContact OD1-CZ 3.25Å; D150-R220 VanDerWaalsContact OD1-CZ 3.25Å; D150-R220 IonicContact OD1-NH1 3.44Å; D150-R220 PolarHBondContact OD1-NH1 3.31Å; D150-R220 IonicContact OD1-NH2 2.8Å; D150-R220 PolarHBondContact OD1-NH2 3.46Å
151W92.8Very high90.7Very high3 Ų331.6 Ų31.61%0.01115%0.149CC..Hα-helixtrans-65.7-35.1177-72.4-7.2000113.7R106 I109 L110 L147 L148 Y153 E154 L155 L185R106-W151 HydrophobicContact CG-CZ2 4.15Å; I109-W151 HydrophobicContact CB-CH2 4.27Å; I109-W151 HydrophobicContact CB-CZ3 4.42Å; I109-W151 HydrophobicContact CD1-CH2 3.89Å; I109-W151 HydrophobicContact CG2-CH2 3.87Å; I109-W151 HydrophobicContact CG2-CZ3 3.78Å; L110-W151 HydrophobicContact CD2-CE3 3.81Å; L110-W151 HydrophobicContact CD2-CZ3 4.05Å; L110-W151 HydrophobicContact CG-CE3 4.43Å; L110-W151 HydrophobicContact CG-CZ3 4.42Å; L147-W151 HydrophobicContact CD1-CD2 4.19Å; L147-W151 HydrophobicContact CD1-CZ2 3.81Å; L147-W151 HydrophobicContact CD2-CH2 3.97Å; L147-W151 HydrophobicContact CD2-CZ2 3.91Å; L147-W151 HydrophobicContact CD2-CZ3 4.47Å; L147-W151 HydrophobicContact CG-CD2 4.16Å; L147-W151 HydrophobicContact CG-CE3 4.46Å; L147-W151 HydrophobicContact CG-CH2 4.28Å; L147-W151 HydrophobicContact CG-CZ2 3.95Å; L147-W151 WeakPolarHBondContact O-CB 3.36Å; L147-W151 PolarHBondContact O-N 3.42Å; L148-W151 PolarHBondContact O-N 2.89Å; W151-Y153 VanDerWaalsContact C-N 3.3Å; W151-Y153 PolarHBondContact O-N 3.37Å; W151-E154 PolarHBondContact O-N 3.47Å; W151-L155 VanDerWaalsContact O-CB 3.26Å; W151-L155 WeakPolarHBondContact O-CB 3.33Å; W151-L155 WeakPolarHBondContact O-CG 3.31Å; W151-L155 PolarHBondContact O-N 3.41Å; W151-L185 HydrophobicContact CB-CD2 3.87Å
152E91.4Very high90.3Very high51 Ų5132.6 Ų32.624%0.23816%0.156CC..Hα-helixtrans-56.7-48.4173-177.1174.5-133.500110.7L148 D150 L155 E156 L185 I189L148-E152 PolarHBondContact O-N 3.38Å; D150-E152 PolarHBondContact O-N 2.93Å; E152-L155 PolarHBondContact O-N 2.83Å; E152-E156 WeakPolarHBondContact O-CG 3.45Å; E152-E156 PolarHBondContact O-N 3.34Å; E152-L185 HydrophobicContact CB-CD2 4.2Å; E152-I189 HydrophobicContact CB-CD1 3.61Å; E152-I189 VanDerWaalsContact CD-CD1 3.48Å; E152-I189 HydrophobicContact CG-CD1 3.94Å
153Y90.2Very high89.8Confident56 Ų5630.3 Ų30.322%0.2215%0.147CC..Hα-helixtrans-65.4-48.5177.5-176.6-88.1000112.1L149 D150 W151 L155 E156 Q157 V162 P164 W165L149-Y153 PolarHBondContact O-N 2.82Å; D150-Y153 PolarHBondContact O-N 2.88Å; W151-Y153 VanDerWaalsContact C-N 3.3Å; W151-Y153 PolarHBondContact O-N 3.37Å; Y153-L155 VanDerWaalsContact C-N 3.25Å; Y153-L155 PolarHBondContact O-N 3.49Å; Y153-E156 WeakPolarHBondContact O-CB 3.29Å; Y153-E156 PolarHBondContact O-N 2.86Å; Y153-Q157 HydrophobicContact CD1-CG 3.91Å; Y153-Q157 HydrophobicContact CE1-CG 3.35Å; Y153-Q157 HydrophobicContact CE2-CG 4.35Å; Y153-Q157 WeakPolarHBondContact O-CG 3.45Å; Y153-Q157 PolarHBondContact O-N 3.18Å; Y153-V162 WeakPolarHBondContact CD1-O 3.45Å; Y153-V162 HydrophobicContact CE1-CG1 4.35Å; Y153-V162 WeakPolarHBondContact CE1-O 3.45Å; Y153-P164 HydrophobicContact CE1-CG 4.1Å; Y153-P164 HydrophobicContact CE2-CG 3.78Å; Y153-P164 VanDerWaalsContact CZ-CD 3.41Å; Y153-P164 VanDerWaalsContact CZ-CG 3.48Å; Y153-P164 VanDerWaalsContact OH-CG 3.32Å; Y153-P164 WeakPolarHBondContact OH-CG 3.35Å; Y153-W165 HydrophobicContact CD2-CH2 4.04Å; Y153-W165 AromaticContact CG-CH2 3.97Å; Y153-W165 HydrophobicContact CG-CH2 3.97Å
154E90.8Very high89.2Confident7 Ų731 Ų313%0.03316%0.155CC..Hα-helixtrans-59.8-34.4178.8-74.4177.4-144.100112.5R106 D150 W151 Q157 G158 Y159 D161 W175R106-E154 IonicContact CZ-OE2 3.61Å; R106-E154 VanDerWaalsContact CZ-OE2 3.24Å; R106-E154 IonicContact NH1-OE2 3.63Å; R106-E154 PolarHBondContact NH1-OE2 3.09Å; R106-E154 IonicContact NH2-OE2 2.74Å; R106-E154 PolarHBondContact NH2-OE2 3.41Å; D150-E154 WeakPolarHBondContact O-CG 3.31Å; D150-E154 PolarHBondContact O-N 3.31Å; W151-E154 PolarHBondContact O-N 3.47Å; E154-Q157 PolarHBondContact O-N 3.24Å; E154-G158 WeakPolarHBondContact O-CA 3.47Å; E154-G158 PolarHBondContact O-N 2.91Å; E154-Y159 WeakPolarHBondContact CB-O 3.47Å; E154-Y159 PolarHBondContact O-N 2.8Å; E154-D161 PolarHBondContact OE2-N 3.25Å; E154-D161 VanDerWaalsContact OE2-N 3.11Å; E154-W175 HydrophobicContact CB-CE3 4.02Å; E154-W175 HydrophobicContact CB-CZ3 3.7Å
155L88.6Confident88.6Confident10 Ų1033.4 Ų33.45%0.05216%0.164CC..Hα-helixtrans-68.5-33.1175.1-78.2177.9000113W151 E152 Y153 W175 P177 L185W151-L155 VanDerWaalsContact O-CB 3.26Å; W151-L155 WeakPolarHBondContact O-CB 3.33Å; W151-L155 WeakPolarHBondContact O-CG 3.31Å; W151-L155 PolarHBondContact O-N 3.41Å; E152-L155 PolarHBondContact O-N 2.83Å; Y153-L155 VanDerWaalsContact C-N 3.25Å; Y153-L155 PolarHBondContact O-N 3.49Å; L155-W175 HydrophobicContact CB-CZ3 4.26Å; L155-W175 HydrophobicContact CD1-CH2 4.4Å; L155-W175 HydrophobicContact CD2-CE3 4.17Å; L155-W175 HydrophobicContact CD2-CH2 3.11Å; L155-W175 HydrophobicContact CD2-CZ2 3.53Å; L155-W175 HydrophobicContact CD2-CZ3 3.46Å; L155-W175 VanDerWaalsContact CD2-CZ3 3.46Å; L155-W175 HydrophobicContact CG-CH2 3.42Å; L155-W175 VanDerWaalsContact CG-CH2 3.42Å; L155-W175 HydrophobicContact CG-CZ2 4.32Å; L155-W175 HydrophobicContact CG-CZ3 3.56Å; L155-P177 HydrophobicContact CD2-CB 3.04Å; L155-P177 HydrophobicContact CD2-CG 3.37Å; L155-L185 HydrophobicContact CD1-CB 4.15Å; L155-L185 HydrophobicContact CD1-CD2 3.41Å; L155-L185 VanDerWaalsContact CD1-CD2 3.41Å; L155-L185 HydrophobicContact CD1-CG 4.38Å; L155-L185 HydrophobicContact CG-CD2 4.46Å
156E86.8Confident87.9Confident124 Ų12438.3 Ų38.358%0.57919%0.19SC*.Hα-helixtrans-73.1-38.8176-71.9179.8167.700111.3E152 Y153E152-E156 WeakPolarHBondContact O-CG 3.45Å; E152-E156 PolarHBondContact O-N 3.34Å; Y153-E156 WeakPolarHBondContact O-CB 3.29Å; Y153-E156 PolarHBondContact O-N 2.86Å
157Q87.8Confident86.9Confident86 Ų8639.3 Ų39.340%0.40220%0.199SC..Hα-helixtrans-78.1-30.9177.8-57.7-49.4-52.900113.2Y153 E154 Y159Y153-Q157 HydrophobicContact CD1-CG 3.91Å; Y153-Q157 HydrophobicContact CE1-CG 3.35Å; Y153-Q157 HydrophobicContact CE2-CG 4.35Å; Y153-Q157 WeakPolarHBondContact O-CG 3.45Å; Y153-Q157 PolarHBondContact O-N 3.18Å; E154-Q157 PolarHBondContact O-N 3.24Å; Q157-Y159 HydrophobicContact CB-CD2 4.22Å; Q157-Y159 WeakPolarHBondContact O-CD2 3.33Å; Q157-Y159 WeakPolarHBondContact O-CE2 3.39Å
158G87Confident85.9Confident22 Ų2240.5 Ų40.523%0.22721%0.206CC..THydrogen-bonded Turntrans79.725.8-17600000114.2E154 W175E154-G158 WeakPolarHBondContact O-CA 3.47Å; E154-G158 PolarHBondContact O-N 2.91Å; G158-W175 CarbonylContact C-O 3.5Å; G158-W175 WeakPolarHBondContact CA-O 3.47Å; G158-W175 PolarHBondContact O-N 3.46Å; G158-W175 VanDerWaalsContact O-O 3.07Å
159Y89.5Confident84.7Confident102 Ų10244.8 Ų44.840%0.423%0.234SC..EExtended strand (participates in β ladder)trans-135.8147.5-179.1-62.3-79.7000111.8E154 Q157 V162 P172 L173E154-Y159 WeakPolarHBondContact CB-O 3.47Å; E154-Y159 PolarHBondContact O-N 2.8Å; Q157-Y159 HydrophobicContact CB-CD2 4.22Å; Q157-Y159 WeakPolarHBondContact O-CD2 3.33Å; Q157-Y159 WeakPolarHBondContact O-CE2 3.39Å; Y159-V162 VanDerWaalsContact CB-CG2 3.46Å; Y159-V162 HydrophobicContact CG-CG2 4.38Å; Y159-P172 HydrophobicContact CD1-CB 3.7Å; Y159-P172 HydrophobicContact CD1-CG 4.4Å; Y159-P172 HydrophobicContact CE1-CB 4.27Å; Y159-P172 HydrophobicContact CG-CB 3.95Å; Y159-L173 CarbonylContact C-O 3.14Å; Y159-L173 VanDerWaalsContact CA-O 3.28Å; Y159-L173 WeakPolarHBondContact CA-O 3.48Å
160F89.4Confident83.8Confident0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-74.5136.6174.6-72.9-83.4000111.6P81 Q82 I99 A102 K103 V162 L173 S174 W175P81-F160 HydrophobicContact CG-CB 4.43Å; P81-F160 HydrophobicContact CG-CD1 4.06Å; P81-F160 HydrophobicContact CG-CD2 4.32Å; P81-F160 HydrophobicContact CG-CE1 4.43Å; P81-F160 HydrophobicContact CG-CG 4.04Å; Q82-F160 PolarHBondContact NE2-O 2.82Å; I99-F160 HydrophobicContact CG2-CE2 4.04Å; A102-F160 HydrophobicContact CB-CE1 4.14Å; K103-F160 HydrophobicContact CB-CZ 4.38Å; F160-V162 PolarHBondContact O-N 3.44Å; F160-V162 VanDerWaalsContact O-N 3.12Å; F160-L173 HydrophobicContact CB-CB 4.32Å; F160-L173 HydrophobicContact CD2-CB 4.1Å; F160-L173 WeakPolarHBondContact CD2-O 3.46Å; F160-L173 PolarHBondContact N-O 2.81Å; F160-S174 WeakPolarHBondContact CE2-O 3.48Å; F160-W175 HydrophobicContact CD1-CB 4.48Å; F160-W175 HydrophobicContact CD1-CG 4.43Å; F160-W175 HydrophobicContact CD2-CB 3.56Å; F160-W175 HydrophobicContact CD2-CG 4.2Å; F160-W175 HydrophobicContact CE1-CB 4.37Å; F160-W175 AromaticContact CE1-CD1 3.96Å; F160-W175 HydrophobicContact CE1-CD2 4.36Å; F160-W175 AromaticContact CE1-CG 3.99Å; F160-W175 HydrophobicContact CE1-CG 3.99Å; F160-W175 HydrophobicContact CE2-CB 3.42Å; F160-W175 VanDerWaalsContact CE2-CB 3.42Å; F160-W175 AromaticContact CE2-CD1 3.75Å; F160-W175 AromaticContact CE2-CG 3.73Å; F160-W175 HydrophobicContact CE2-CG 3.73Å; F160-W175 HydrophobicContact CG-CB 4.09Å; F160-W175 HydrophobicContact CZ-CB 3.85Å; F160-W175 AromaticContact CZ-CD1 3.34Å; F160-W175 HydrophobicContact CZ-CD2 4.39Å; F160-W175 AromaticContact CZ-CG 3.59Å; F160-W175 HydrophobicContact CZ-CG 3.59Å
161D84.4Confident83.1Confident27 Ų2748.5 Ų48.514%0.14426%0.259CS..THydrogen-bonded Turntrans56.826.9169-47.1-41.2000114.3S80 Q82 R106 E154S80-D161 WeakPolarHBondContact CB-OD1 3.34Å; S80-D161 WeakPolarHBondContact CB-OD2 3.45Å; S80-D161 PolarHBondContact OG-OD1 3.44Å; S80-D161 PolarHBondContact OG-OD2 3.01Å; Q82-D161 WeakPolarHBondContact CB-OD2 3.47Å; Q82-D161 PolarHBondContact N-OD2 3.36Å; Q82-D161 PolarHBondContact OE1-OD2 2.84Å; R106-D161 IonicContact NH2-OD1 2.82Å; R106-D161 PolarHBondContact NH2-OD1 3.06Å; E154-D161 PolarHBondContact OE2-N 3.25Å; E154-D161 VanDerWaalsContact OE2-N 3.11Å
162V81.6Confident82.6Confident43 Ų4352 Ų5226%0.26128%0.282SS..  trans-93.1110.5173.6179.50000108Y153 Y159 F160 P172Y153-V162 WeakPolarHBondContact CD1-O 3.45Å; Y153-V162 HydrophobicContact CE1-CG1 4.35Å; Y153-V162 WeakPolarHBondContact CE1-O 3.45Å; Y159-V162 VanDerWaalsContact CB-CG2 3.46Å; Y159-V162 HydrophobicContact CG-CG2 4.38Å; F160-V162 PolarHBondContact O-N 3.44Å; F160-V162 VanDerWaalsContact O-N 3.12Å; V162-P172 HydrophobicContact CG2-CB 3.85Å
163T82.7Confident82.4Confident14 Ų1450.4 Ų50.49%0.08628%0.275CS..  trans-137.8140.4171.463.90000111.7D150 W165 N166D150-T163 HydrophobicContact CB-CG2 4.38Å; T163-W165 HydrophobicContact CG2-CZ2 3.94Å; T163-W165 PolarHBondContact O-N 3.02Å; T163-N166 CarbonylContact O-C 3.42Å; T163-N166 PolarHBondContact O-N 2.9Å; T163-N166 WeakPolarHBondContact OG1-CB 3.35Å; T163-N166 PolarHBondContact OG1-N 3.47Å; T163-N166 PolarHBondContact OG1-O 2.92Å
164P79Confident82.3Confident40 Ų4051.4 Ų51.426%0.2629%0.291SS..THydrogen-bonded Turntrans-66.7-21.2178.8-22.533.8000114.3Y153Y153-P164 HydrophobicContact CE1-CG 4.1Å; Y153-P164 HydrophobicContact CE2-CG 3.78Å; Y153-P164 VanDerWaalsContact CZ-CD 3.41Å; Y153-P164 VanDerWaalsContact CZ-CG 3.48Å; Y153-P164 VanDerWaalsContact OH-CG 3.32Å; Y153-P164 WeakPolarHBondContact OH-CG 3.35Å
165W80.2Confident82.1Confident50 Ų5051.3 Ų51.319%0.18929%0.29CS..THydrogen-bonded Turntrans-98.1-10.4-17745.681.8000113.4D150 Y153 T163 R220 K223D150-W165 PolarHBondContact OD1-NE1 3.46Å; Y153-W165 HydrophobicContact CD2-CH2 4.04Å; Y153-W165 AromaticContact CG-CH2 3.97Å; Y153-W165 HydrophobicContact CG-CH2 3.97Å; T163-W165 HydrophobicContact CG2-CZ2 3.94Å; T163-W165 PolarHBondContact O-N 3.02Å; W165-R220 HydrophobicContact CB-CB 4.33Å; W165-R220 HydrophobicContact CB-CG 4.32Å; W165-R220 HydrophobicContact CD2-CB 3.93Å; W165-R220 HydrophobicContact CD2-CG 3.69Å; W165-R220 HydrophobicContact CE3-CB 3.81Å; W165-R220 HydrophobicContact CE3-CG 4.06Å; W165-R220 HydrophobicContact CG-CB 4.16Å; W165-R220 HydrophobicContact CG-CG 3.79Å; W165-R220 HydrophobicContact CZ3-CB 4.48Å; W165-K223 HydrophobicContact CB-CB 4.14Å
166N78.9Confident81.8Confident105 Ų10555.7 Ų55.756%0.56132%0.317SS*.SBendtrans-138.173.7170.2-164.912000109.3T163 D168T163-N166 CarbonylContact O-C 3.42Å; T163-N166 PolarHBondContact O-N 2.9Å; T163-N166 WeakPolarHBondContact OG1-CB 3.35Å; T163-N166 PolarHBondContact OG1-N 3.47Å; T163-N166 PolarHBondContact OG1-O 2.92Å; N166-D168 PolarHBondContact O-N 3.37Å
167P71.2Confident81.6Confident57 Ų5751 Ų5137%0.3730%0.298SS..  trans-65.7118.5-177.224.7-30.2000110.1F227P167-F227 HydrophobicContact CB-CE1 3.96Å; P167-F227 HydrophobicContact CB-CE2 4.19Å; P167-F227 HydrophobicContact CB-CZ 3.73Å; P167-F227 HydrophobicContact CG-CD1 4.01Å; P167-F227 HydrophobicContact CG-CD2 3.65Å; P167-F227 HydrophobicContact CG-CE1 3.71Å; P167-F227 HydrophobicContact CG-CE2 3.33Å; P167-F227 HydrophobicContact CG-CG 3.98Å; P167-F227 HydrophobicContact CG-CZ 3.37Å
168D72.2Confident81.4Confident31 Ų3148.8 Ų48.817%0.16629%0.292CS..  trans-92.7128.7171.1-172.30.3000109R86 N166 S170R86-D168 IonicContact CZ-OD1 2.76Å; R86-D168 IonicContact CZ-OD2 2.69Å; R86-D168 IonicContact NH2-OD1 3.81Å; R86-D168 PolarHBondContact NH2-OD1 3.19Å; R86-D168 IonicContact NH2-OD2 3.04Å; R86-D168 PolarHBondContact NH2-OD2 3.42Å; N166-D168 PolarHBondContact O-N 3.37Å; D168-S170 VanDerWaalsContact CG-CB 3.47Å; D168-S170 VanDerWaalsContact CG-OG 3.26Å; D168-S170 PolarHBondContact O-N 3.08Å; D168-S170 VanDerWaalsContact OD1-CB 3.31Å; D168-S170 WeakPolarHBondContact OD1-CB 3.43Å; D168-S170 PolarHBondContact OD1-N 2.9Å; D168-S170 PolarHBondContact OD1-OG 2.81Å; D168-S170 WeakPolarHBondContact OD2-CB 3.36Å; D168-S170 PolarHBondContact OD2-OG 3.29Å
169P68.5Low81.4Confident92 Ų9255.2 Ų55.260%0.59732%0.316SS*.  trans-67.4-13.6171.727.8-36.3000113.3
170S74.4Confident81.3Confident22 Ų2257.4 Ų57.415%0.15432%0.323CS..SBendtrans-63.1145.7180-52.90000112.1D168D168-S170 VanDerWaalsContact CG-CB 3.47Å; D168-S170 VanDerWaalsContact CG-OG 3.26Å; D168-S170 PolarHBondContact O-N 3.08Å; D168-S170 VanDerWaalsContact OD1-CB 3.31Å; D168-S170 WeakPolarHBondContact OD1-CB 3.43Å; D168-S170 PolarHBondContact OD1-N 2.9Å; D168-S170 PolarHBondContact OD1-OG 2.81Å; D168-S170 WeakPolarHBondContact OD2-CB 3.36Å; D168-S170 PolarHBondContact OD2-OG 3.29Å
171P77.3Confident81.2Confident76 Ų7657.4 Ų57.449%0.49432%0.323SS..PPolyproline II helixtrans-60.7136.4178.225-33.4000110.8I92 L173I92-P171 HydrophobicContact CG2-CG 4.42Å; P171-L173 PolarHBondContact O-N 3.44Å
172P83.1Confident81.4Confident76 Ų7660.3 Ų60.349%0.49434%0.335SS..PPolyproline II helixtrans-66.8123.3-177.527.9-34.7000110.2Y159 V162Y159-P172 HydrophobicContact CD1-CB 3.7Å; Y159-P172 HydrophobicContact CD1-CG 4.4Å; Y159-P172 HydrophobicContact CE1-CB 4.27Å; Y159-P172 HydrophobicContact CG-CB 3.95Å; V162-P172 HydrophobicContact CG2-CB 3.85Å
173L86.7Confident81.8Confident18 Ų1860.4 Ų60.49%0.09434%0.344CS..EExtended strand (participates in β ladder)trans-88.6127.8178.4-61176.3000109.9P81 A95 I96 I99 Y159 F160 P171 W175P81-L173 HydrophobicContact CB-CD1 3.77Å; P81-L173 HydrophobicContact CG-CD1 4.22Å; A95-L173 HydrophobicContact CB-CD1 3.64Å; I96-L173 HydrophobicContact CG1-CD2 4.07Å; I99-L173 HydrophobicContact CD1-CB 4.25Å; I99-L173 HydrophobicContact CD1-CD1 4.3Å; I99-L173 HydrophobicContact CD1-CD2 4.32Å; I99-L173 HydrophobicContact CG1-CD1 4.23Å; Y159-L173 CarbonylContact C-O 3.14Å; Y159-L173 VanDerWaalsContact CA-O 3.28Å; Y159-L173 WeakPolarHBondContact CA-O 3.48Å; F160-L173 HydrophobicContact CB-CB 4.32Å; F160-L173 HydrophobicContact CD2-CB 4.1Å; F160-L173 WeakPolarHBondContact CD2-O 3.46Å; F160-L173 PolarHBondContact N-O 2.81Å; P171-L173 PolarHBondContact O-N 3.44Å; L173-W175 PolarHBondContact O-N 3.34Å
174S87.3Confident82.2Confident78 Ų7862.1 Ų62.155%0.54535%0.351SS..EExtended strand (participates in β ladder)trans-61.1130.7-178.364.70000111.4F160F160-S174 WeakPolarHBondContact CE2-O 3.48Å
175W87Confident82.8Confident4 Ų460.3 Ų60.32%0.01534%0.339CS..  trans-123.7112.9172.2-179.433.2000109.7L110 E154 L155 G158 F160 L173 P177L110-W175 HydrophobicContact CD1-CH2 4.49Å; L110-W175 HydrophobicContact CD1-CZ2 4.24Å; E154-W175 HydrophobicContact CB-CE3 4.02Å; E154-W175 HydrophobicContact CB-CZ3 3.7Å; L155-W175 HydrophobicContact CB-CZ3 4.26Å; L155-W175 HydrophobicContact CD1-CH2 4.4Å; L155-W175 HydrophobicContact CD2-CE3 4.17Å; L155-W175 HydrophobicContact CD2-CH2 3.11Å; L155-W175 HydrophobicContact CD2-CZ2 3.53Å; L155-W175 HydrophobicContact CD2-CZ3 3.46Å; L155-W175 VanDerWaalsContact CD2-CZ3 3.46Å; L155-W175 HydrophobicContact CG-CH2 3.42Å; L155-W175 VanDerWaalsContact CG-CH2 3.42Å; L155-W175 HydrophobicContact CG-CZ2 4.32Å; L155-W175 HydrophobicContact CG-CZ3 3.56Å; G158-W175 CarbonylContact C-O 3.5Å; G158-W175 WeakPolarHBondContact CA-O 3.47Å; G158-W175 PolarHBondContact O-N 3.46Å; G158-W175 VanDerWaalsContact O-O 3.07Å; F160-W175 HydrophobicContact CD1-CB 4.48Å; F160-W175 HydrophobicContact CD1-CG 4.43Å; F160-W175 HydrophobicContact CD2-CB 3.56Å; F160-W175 HydrophobicContact CD2-CG 4.2Å; F160-W175 HydrophobicContact CE1-CB 4.37Å; F160-W175 AromaticContact CE1-CD1 3.96Å; F160-W175 HydrophobicContact CE1-CD2 4.36Å; F160-W175 AromaticContact CE1-CG 3.99Å; F160-W175 HydrophobicContact CE1-CG 3.99Å; F160-W175 HydrophobicContact CE2-CB 3.42Å; F160-W175 VanDerWaalsContact CE2-CB 3.42Å; F160-W175 AromaticContact CE2-CD1 3.75Å; F160-W175 AromaticContact CE2-CG 3.73Å; F160-W175 HydrophobicContact CE2-CG 3.73Å; F160-W175 HydrophobicContact CG-CB 4.09Å; F160-W175 HydrophobicContact CZ-CB 3.85Å; F160-W175 AromaticContact CZ-CD1 3.34Å; F160-W175 HydrophobicContact CZ-CD2 4.39Å; F160-W175 AromaticContact CZ-CG 3.59Å; F160-W175 HydrophobicContact CZ-CG 3.59Å; L173-W175 PolarHBondContact O-N 3.34Å; W175-P177 HydrophobicContact CZ2-CB 4.1Å; W175-P177 WeakPolarHBondContact O-CD 3.48Å
176V83.8Confident83.3Confident103 Ų10363.9 Ų63.962%0.62436%0.356SS*.  trans-96.4102.2169.1-175.70000108.5K103K103-V176 VanDerWaalsContact CE-O 3.3Å; K103-V176 WeakPolarHBondContact CE-O 3.43Å; K103-V176 PolarHBondContact NZ-O 3.46Å
177P81.2Confident83.8Confident26 Ų2661.8 Ų61.817%0.16935%0.353CS..  trans-74156.6176.932-37.3000111.9L155 W175L155-P177 HydrophobicContact CD2-CB 3.04Å; L155-P177 HydrophobicContact CD2-CG 3.37Å; W175-P177 HydrophobicContact CZ2-CB 4.1Å; W175-P177 WeakPolarHBondContact O-CD 3.48Å
178S84.9Confident84.8Confident39 Ų3960.2 Ų60.227%0.27334%0.34SS..  trans-72.9144.9169.478.50000109.9R180 A181 K182S178-R180 PolarHBondContact O-N 3.43Å; S178-A181 PolarHBondContact O-N 2.97Å; S178-A181 WeakPolarHBondContact OG-CB 3.28Å; S178-A181 PolarHBondContact OG-N 3.34Å; S178-K182 PolarHBondContact O-N 2.89Å
179Q86Confident85.6Confident157 Ų15758.9 Ų58.973%0.73433%0.333SS*.Hα-helixtrans-59.4-35.9176.6-66.8-60.5-23.800111.6K182 G183Q179-K182 PolarHBondContact O-N 3.23Å; Q179-G183 PolarHBondContact O-N 3.36Å
180R88.4Confident86.5Confident148 Ų14858.6 Ų58.656%0.55833%0.327SS*.Hα-helixtrans-59.8-51.5173.9-178.7-179179.2161.55.3111.7D111 S178 K182 G183 Q184D111-R180 WeakPolarHBondContact OD1-CD 3.39Å; D111-R180 IonicContact OD1-NE 3.47Å; D111-R180 PolarHBondContact OD1-NE 2.91Å; S178-R180 PolarHBondContact O-N 3.43Å; R180-K182 VanDerWaalsContact C-N 3.32Å; R180-K182 PolarHBondContact O-N 2.85Å; R180-G183 PolarHBondContact O-N 3.37Å; R180-Q184 HydrophobicContact CG-CG 4.42Å; R180-Q184 WeakPolarHBondContact O-CB 3.4Å; R180-Q184 WeakPolarHBondContact O-CG 3.2Å; R180-Q184 PolarHBondContact O-N 3.07Å
181A86.9Confident87.1Confident0 Ų062.9 Ų62.90%034%0.343CS..Hα-helixtrans-61.7-41.1-179.100000111.7L110 S178 Q184 L185L110-A181 HydrophobicContact CB-CB 3.66Å; L110-A181 HydrophobicContact CD1-CB 3.71Å; L110-A181 HydrophobicContact CG-CB 4.29Å; S178-A181 PolarHBondContact O-N 2.97Å; S178-A181 WeakPolarHBondContact OG-CB 3.28Å; S178-A181 PolarHBondContact OG-N 3.34Å; A181-Q184 PolarHBondContact O-N 2.82Å; A181-L185 PolarHBondContact O-N 3.35Å
182K88Confident87.5Confident88 Ų8859.7 Ų59.738%0.38332%0.321SS..Hα-helixtrans-60.9-46.7174.1-175.9174.8-178.5169.40112.1S178 Q179 R180 K186S178-K182 PolarHBondContact O-N 2.89Å; Q179-K182 PolarHBondContact O-N 3.23Å; R180-K182 VanDerWaalsContact C-N 3.32Å; R180-K182 PolarHBondContact O-N 2.85Å; K182-K186 WeakPolarHBondContact O-CB 3.14Å; K182-K186 PolarHBondContact O-N 2.93Å; K182-K186 VanDerWaalsContact O-N 3.12Å
183G90.1Very high87.5Confident44 Ų4458.6 Ų58.645%0.45431%0.312SS..Hα-helixtrans-62.2-44.417700000112.6Q179 R180 A187Q179-G183 PolarHBondContact O-N 3.36Å; R180-G183 PolarHBondContact O-N 3.37Å; G183-A187 VanDerWaalsContact O-CB 3.25Å; G183-A187 WeakPolarHBondContact O-CB 3.3Å; G183-A187 PolarHBondContact O-N 3.44Å
184Q90.3Very high87.2Confident51 Ų5162.7 Ų62.724%0.23833%0.333CS..Hα-helixtrans-65.1-43.9179.3-75.3175-47.900112.4L110 D111 L113 R180 A181 A187 F188L110-Q184 PolarHBondContact O-OE1 3.19Å; L110-Q184 VanDerWaalsContact O-OE1 3.05Å; D111-Q184 VanDerWaalsContact CA-OE1 3.26Å; D111-Q184 PolarHBondContact O-NE2 2.84Å; D111-Q184 PolarHBondContact OD1-OE1 2.91Å; L113-Q184 HydrophobicContact CD1-CB 4.26Å; R180-Q184 HydrophobicContact CG-CG 4.42Å; R180-Q184 WeakPolarHBondContact O-CB 3.4Å; R180-Q184 WeakPolarHBondContact O-CG 3.2Å; R180-Q184 PolarHBondContact O-N 3.07Å; A181-Q184 PolarHBondContact O-N 2.82Å; Q184-A187 PolarHBondContact O-N 2.86Å; Q184-F188 WeakPolarHBondContact O-CB 3.38Å; Q184-F188 PolarHBondContact O-N 2.94Å
185L91.9Very high85.9Confident1 Ų163.5 Ų63.51%0.00533%0.331CS..Hα-helixtrans-62.8-49.3177.9-174.963.5000111.2L110 L113 L148 W151 E152 L155 A181 A187 F188 I189L110-L185 HydrophobicContact CD2-CB 4.17Å; L110-L185 HydrophobicContact CD2-CD1 4.18Å; L113-L185 HydrophobicContact CD1-CB 4.23Å; L113-L185 HydrophobicContact CD1-CD1 4.03Å; L148-L185 HydrophobicContact CB-CD1 4.33Å; L148-L185 HydrophobicContact CD2-CD1 3.46Å; L148-L185 VanDerWaalsContact CD2-CD1 3.46Å; L148-L185 HydrophobicContact CG-CD1 4.48Å; W151-L185 HydrophobicContact CB-CD2 3.87Å; E152-L185 HydrophobicContact CB-CD2 4.2Å; L155-L185 HydrophobicContact CD1-CB 4.15Å; L155-L185 HydrophobicContact CD1-CD2 3.41Å; L155-L185 VanDerWaalsContact CD1-CD2 3.41Å; L155-L185 HydrophobicContact CD1-CG 4.38Å; L155-L185 HydrophobicContact CG-CD2 4.46Å; A181-L185 PolarHBondContact O-N 3.35Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.83Å; L185-F188 PolarHBondContact O-N 3.13Å; L185-F188 VanDerWaalsContact O-N 3.12Å; L185-I189 HydrophobicContact CD1-CD1 4.03Å; L185-I189 HydrophobicContact CD1-CG1 4.27Å; L185-I189 HydrophobicContact CD2-CD1 4.36Å; L185-I189 HydrophobicContact CG-CD1 3.87Å; L185-I189 HydrophobicContact CG-CG1 4.43Å; L185-I189 WeakPolarHBondContact O-CG1 3.45Å; L185-I189 PolarHBondContact O-N 3.28Å
186K91.3Very high84.4Confident126 Ų12666.2 Ų66.255%0.54835%0.351SS..Hα-helixtrans-60.4-42.7179.4-173169.9-175.6168.90111.7K182 F188 N190K182-K186 WeakPolarHBondContact O-CB 3.14Å; K182-K186 PolarHBondContact O-N 2.93Å; K182-K186 VanDerWaalsContact O-N 3.12Å; K186-F188 VanDerWaalsContact C-N 3.34Å; K186-F188 PolarHBondContact O-N 2.94Å; K186-N190 VanDerWaalsContact O-CB 3.31Å; K186-N190 WeakPolarHBondContact O-CB 3.48Å; K186-N190 PolarHBondContact O-N 3.25Å; K186-N190 PolarHBondContact O-ND2 3.15Å
187A90.2Very high82.8Confident60 Ų6070.8 Ų70.850%0.49636%0.357SS..Hα-helixtrans-62.5-41175.400000112G183 Q184 L185 F191G183-A187 VanDerWaalsContact O-CB 3.25Å; G183-A187 WeakPolarHBondContact O-CB 3.3Å; G183-A187 PolarHBondContact O-N 3.44Å; Q184-A187 PolarHBondContact O-N 2.86Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.83Å; A187-F191 WeakPolarHBondContact O-CB 3.44Å; A187-F191 PolarHBondContact O-N 2.8Å
188F90.4Very high80.9Confident24 Ų2475.7 Ų75.711%0.10539%0.389CS..Hα-helixtrans-67.5-45.5178.8-169.2-105.4000112.2L113 F117 L123 L148 Q184 L185 K186 N190 F191 L192L113-F188 HydrophobicContact CD1-CB 4.19Å; F117-F188 HydrophobicContact CB-CE1 3.93Å; F117-F188 HydrophobicContact CB-CZ 3.72Å; F117-F188 HydrophobicContact CG-CE1 4.33Å; L123-F188 HydrophobicContact CD2-CZ 4.49Å; L148-F188 HydrophobicContact CD1-CD1 3.89Å; L148-F188 HydrophobicContact CD1-CE1 3.63Å; L148-F188 HydrophobicContact CD2-CD1 4.42Å; Q184-F188 WeakPolarHBondContact O-CB 3.38Å; Q184-F188 PolarHBondContact O-N 2.94Å; L185-F188 PolarHBondContact O-N 3.13Å; L185-F188 VanDerWaalsContact O-N 3.12Å; K186-F188 VanDerWaalsContact C-N 3.34Å; K186-F188 PolarHBondContact O-N 2.94Å; F188-N190 VanDerWaalsContact C-N 3.34Å; F188-N190 PolarHBondContact O-N 3.32Å; F188-F191 WeakPolarHBondContact O-CB 3.33Å; F188-F191 PolarHBondContact O-N 2.91Å; F188-F191 VanDerWaalsContact O-N 3.13Å; F188-L192 HydrophobicContact CD1-CD1 4.05Å; F188-L192 HydrophobicContact CD1-CG 4.3Å; F188-L192 HydrophobicContact CE1-CD1 3.73Å; F188-L192 HydrophobicContact CE1-CD2 4.22Å; F188-L192 HydrophobicContact CE1-CG 4.07Å; F188-L192 HydrophobicContact CZ-CD1 4.48Å; F188-L192 HydrophobicContact CZ-CD2 4.17Å; F188-L192 HydrophobicContact CZ-CG 4.47Å; F188-L192 WeakPolarHBondContact O-CG 3.37Å; F188-L192 PolarHBondContact O-N 3.28Å
189I89.5Confident78.8Confident3 Ų381.8 Ų81.82%0.01542%0.417CS..Hα-helixtrans-62.9-42.4176.5-68.1174.5000110.7E152 L185 F191 L192 N193E152-I189 HydrophobicContact CB-CD1 3.61Å; E152-I189 VanDerWaalsContact CD-CD1 3.48Å; E152-I189 HydrophobicContact CG-CD1 3.94Å; L185-I189 HydrophobicContact CD1-CD1 4.03Å; L185-I189 HydrophobicContact CD1-CG1 4.27Å; L185-I189 HydrophobicContact CD2-CD1 4.36Å; L185-I189 HydrophobicContact CG-CD1 3.87Å; L185-I189 HydrophobicContact CG-CG1 4.43Å; L185-I189 WeakPolarHBondContact O-CG1 3.45Å; L185-I189 PolarHBondContact O-N 3.28Å; I189-F191 VanDerWaalsContact C-N 3.3Å; I189-F191 PolarHBondContact O-N 2.9Å; I189-L192 PolarHBondContact O-N 3.29Å; I189-N193 PolarHBondContact O-N 3.32Å; I189-N193 PolarHBondContact O-ND2 2.95Å
190N88.8Confident76.8Confident86 Ų8677.4 Ų77.446%0.4641%0.414SS..Hα-helixtrans-58.2-43.8173-74.9-16.6000111.5K186 F188 L192 N193 L194K186-N190 VanDerWaalsContact O-CB 3.31Å; K186-N190 WeakPolarHBondContact O-CB 3.48Å; K186-N190 PolarHBondContact O-N 3.25Å; K186-N190 PolarHBondContact O-ND2 3.15Å; F188-N190 VanDerWaalsContact C-N 3.34Å; F188-N190 PolarHBondContact O-N 3.32Å; N190-L192 PolarHBondContact O-N 2.88Å; N190-N193 PolarHBondContact O-N 3.43Å; N190-N193 VanDerWaalsContact O-N 3.15Å; N190-L194 WeakPolarHBondContact O-CG 3.33Å; N190-L194 PolarHBondContact O-N 2.72Å; N190-L194 VanDerWaalsContact O-N 3.08Å
191F86.1Confident74.9Confident112 Ų11277.8 Ų77.849%0.49143%0.427SS..Hα-helixtrans-59.3-43.3175.1174.1-88.8000112.3L123 A187 F188 I189 N193 L194L123-F191 HydrophobicContact CD2-CD1 4.22Å; L123-F191 HydrophobicContact CD2-CE1 3.59Å; A187-F191 WeakPolarHBondContact O-CB 3.44Å; A187-F191 PolarHBondContact O-N 2.8Å; F188-F191 WeakPolarHBondContact O-CB 3.33Å; F188-F191 PolarHBondContact O-N 2.91Å; F188-F191 VanDerWaalsContact O-N 3.13Å; I189-F191 VanDerWaalsContact C-N 3.3Å; I189-F191 PolarHBondContact O-N 2.9Å; F191-N193 PolarHBondContact O-N 3.44Å; F191-L194 HydrophobicContact CD2-CD1 4.33Å; F191-L194 WeakPolarHBondContact O-CB 3.35Å; F191-L194 PolarHBondContact O-N 3.16Å
192L84.9Confident73.1Confident9 Ų985.1 Ų85.15%0.04747%0.467CS..Hα-helixtrans-65.6-27176.7-62.7-177.9000113.2V121 L123 L148 F188 I189 N190 T209 I213V121-L192 HydrophobicContact CG1-CD2 4.18Å; L123-L192 HydrophobicContact CD2-CD2 3.69Å; L148-L192 HydrophobicContact CD1-CD1 4.1Å; F188-L192 HydrophobicContact CD1-CD1 4.05Å; F188-L192 HydrophobicContact CD1-CG 4.3Å; F188-L192 HydrophobicContact CE1-CD1 3.73Å; F188-L192 HydrophobicContact CE1-CD2 4.22Å; F188-L192 HydrophobicContact CE1-CG 4.07Å; F188-L192 HydrophobicContact CZ-CD1 4.48Å; F188-L192 HydrophobicContact CZ-CD2 4.17Å; F188-L192 HydrophobicContact CZ-CG 4.47Å; F188-L192 WeakPolarHBondContact O-CG 3.37Å; F188-L192 PolarHBondContact O-N 3.28Å; I189-L192 PolarHBondContact O-N 3.29Å; N190-L192 PolarHBondContact O-N 2.88Å; L192-T209 HydrophobicContact CB-CG2 4.28Å; L192-T209 HydrophobicContact CD1-CG2 4.46Å; L192-T209 HydrophobicContact CD2-CG2 4.13Å; L192-I213 HydrophobicContact CB-CD1 3.77Å; L192-I213 HydrophobicContact CD1-CD1 4.46Å
193N84.4Confident70.9Confident54 Ų5485.9 Ų85.929%0.28948%0.482SS..Hα-helixtrans-85.4-13.6177.6-77.7-36.3000114I189 N190 F191 D195 K210I189-N193 PolarHBondContact O-N 3.32Å; I189-N193 PolarHBondContact O-ND2 2.95Å; N190-N193 PolarHBondContact O-N 3.43Å; N190-N193 VanDerWaalsContact O-N 3.15Å; F191-N193 PolarHBondContact O-N 3.44Å; N193-D195 PolarHBondContact O-N 3.28Å; N193-K210 PolarHBondContact O-NZ 3.46Å
194L80.4Confident68.7Low104 Ų10489.3 Ų89.355%0.54550%0.499SS..SBendtrans-61.4131.8174.1-68.5175.7000109.2N190 F191 S196N190-L194 WeakPolarHBondContact O-CG 3.33Å; N190-L194 PolarHBondContact O-N 2.72Å; N190-L194 VanDerWaalsContact O-N 3.08Å; F191-L194 HydrophobicContact CD2-CD1 4.33Å; F191-L194 WeakPolarHBondContact O-CB 3.35Å; F191-L194 PolarHBondContact O-N 3.16Å; L194-S196 PolarHBondContact O-N 3.36Å
195D60.1Low66.7Low95 Ų9588.6 Ų88.651%0.50851%0.505SS..  trans-64128.3164.1-67.7-49.9000107.3N193 R197 K210N193-D195 PolarHBondContact O-N 3.28Å; D195-R197 PolarHBondContact O-N 2.85Å; D195-K210 VanDerWaalsContact OD1-CD 3.32Å; D195-K210 WeakPolarHBondContact OD1-CD 3.22Å; D195-K210 WeakPolarHBondContact OD1-CE 3.43Å; D195-K210 IonicContact OD1-NZ 2.69Å; D195-K210 PolarHBondContact OD1-NZ 3.18Å; D195-K210 IonicContact OD2-NZ 2.82Å; D195-K210 PolarHBondContact OD2-NZ 2.82Å
196S55.1Low64.7Low61 Ų6196.5 Ų96.543%0.42754%0.536SS..  trans-44.2116.9169.1-41.60000107.3L194L194-S196 PolarHBondContact O-N 3.36Å
197R49.5Very low63.4Low198 Ų19891.3 Ų91.375%0.74752%0.516SS*.  trans-51.7139.9177.8-66.3178.8-161.8172.74.5108.1D195 L199D195-R197 PolarHBondContact O-N 2.85Å; R197-L199 PolarHBondContact O-N 3.35Å
198P42.6Very low62.6Low129 Ų12991.8 Ų91.884%0.83851%0.513SS*.  trans-61.299.9179.524.1-31.2000108.8
199L40.7Very low62.2Low168 Ų16890.8 Ų90.888%0.8851%0.509SS*.  trans-89.697164.3-108.279.8000106.5R197R197-L199 PolarHBondContact O-N 3.35Å
200G43.3Very low61.9Low64 Ų6492.4 Ų92.466%0.6652%0.516SS*.SBendtrans78.7135.9168.200000114.6
201N49.5Very low61.6Low156 Ų15693.5 Ų93.583%0.83452%0.519SS*.THydrogen-bonded Turntrans-49.3141.5179-79.9-10.6000112.4
202D48.1Very low61.7Low155 Ų15589.8 Ų89.883%0.82950%0.504SS*.THydrogen-bonded Turntrans9517.4158.7-50.2-24.6000120
203C41.5Very low61.9Low104 Ų10489.4 Ų89.470%0.70350%0.502SS*.  trans-136.9104.4159.7-80.70000111.8G205C203-G205 PolarHBondContact O-N 3.2Å
204S44.8Very low62.1Low116 Ų11692.1 Ų92.181%0.81151%0.511SS*.  trans-68.763.416262.60000110.2Y206S204-Y206 PolarHBondContact O-N 2.96Å
205G47.7Very low62.7Low36 Ų3692.5 Ų92.537%0.37151%0.508SS..  trans-83.297.6179.400000110.1C203 C207C203-G205 PolarHBondContact O-N 3.2Å; G205-C207 PolarHBondContact O-N 2.89Å
206Y50.1Low64.2Low166 Ų16688.1 Ų88.165%0.65149%0.485SS*.  trans-55.4135.7168.5-70.5-87.3000110.4S204 P208S204-Y206 PolarHBondContact O-N 2.96Å; Y206-P208 WeakPolarHBondContact O-CD 3.48Å
207C64.1Low65.9Low18 Ų1889 Ų8912%0.12248%0.482CS..  trans-63.5121.7173.1-178.80000110G205 T209 K210 Q211G205-C207 PolarHBondContact O-N 2.89Å; C207-T209 PolarHBondContact O-N 3.09Å; C207-T209 VanDerWaalsContact O-N 3.14Å; C207-K210 HydrophobicContact CB-CB 4.28Å; C207-K210 PolarHBondContact O-N 3Å; C207-K210 VanDerWaalsContact O-N 3.13Å; C207-Q211 PolarHBondContact O-N 3.4Å
208P73.2Confident68Low69 Ų6984.9 Ų84.945%0.44847%0.471SS..Hα-helixtrans-54.7-34.1179.3-26.734.8000113.1Y206 Q211 L212Y206-P208 WeakPolarHBondContact O-CD 3.48Å; P208-Q211 PolarHBondContact O-N 3.42Å; P208-L212 WeakPolarHBondContact O-CB 3.38Å; P208-L212 PolarHBondContact O-N 3.34Å
209T81.3Confident70.4Confident3 Ų382 Ų822%0.01845%0.447CS..Hα-helixtrans-67.1-40.9-179.7-55.20000112.6V121 Q122 I145 L192 C207 L212 I213V121-T209 HydrophobicContact CG1-CG2 3.93Å; Q122-T209 PolarHBondContact O-OG1 3.37Å; I145-T209 HydrophobicContact CD1-CG2 3.83Å; L192-T209 HydrophobicContact CB-CG2 4.28Å; L192-T209 HydrophobicContact CD1-CG2 4.46Å; L192-T209 HydrophobicContact CD2-CG2 4.13Å; C207-T209 PolarHBondContact O-N 3.09Å; C207-T209 VanDerWaalsContact O-N 3.14Å; T209-L212 WeakPolarHBondContact O-CB 3.43Å; T209-L212 PolarHBondContact O-N 3.26Å; T209-I213 HydrophobicContact CG2-CD1 4.28Å; T209-I213 WeakPolarHBondContact O-CG1 3.32Å; T209-I213 PolarHBondContact O-N 3.49Å
210K83Confident72.8Confident38 Ų3874.9 Ų74.917%0.16541%0.408CS..Hα-helixtrans-65.5-40.8177.4-177.8174-178.3166.40111.9N193 D195 C207 L212 I213 K214N193-K210 PolarHBondContact O-NZ 3.46Å; D195-K210 VanDerWaalsContact OD1-CD 3.32Å; D195-K210 WeakPolarHBondContact OD1-CD 3.22Å; D195-K210 WeakPolarHBondContact OD1-CE 3.43Å; D195-K210 IonicContact OD1-NZ 2.69Å; D195-K210 PolarHBondContact OD1-NZ 3.18Å; D195-K210 IonicContact OD2-NZ 2.82Å; D195-K210 PolarHBondContact OD2-NZ 2.82Å; C207-K210 HydrophobicContact CB-CB 4.28Å; C207-K210 PolarHBondContact O-N 3Å; C207-K210 VanDerWaalsContact O-N 3.13Å; K210-L212 VanDerWaalsContact C-N 3.29Å; K210-L212 PolarHBondContact O-N 3.14Å; K210-I213 PolarHBondContact O-N 3.28Å; K210-K214 PolarHBondContact O-N 3.28Å
211Q84Confident75.1Confident109 Ų10977.7 Ų77.751%0.50940%0.404SS..Hα-helixtrans-63.3-39.1174.2-67.4-177.5-12.800111.2C207 P208 K214 K215C207-Q211 PolarHBondContact O-N 3.4Å; P208-Q211 PolarHBondContact O-N 3.42Å; Q211-K214 PolarHBondContact O-N 2.91Å; Q211-K215 WeakPolarHBondContact O-CB 3.45Å; Q211-K215 PolarHBondContact O-N 3.39Å
212L86.9Confident77.1Confident33 Ų3375.9 Ų75.917%0.17339%0.391CS..Hα-helixtrans-65.3-42.4176.9-170.553.4000112.1Q141 F142 I145 P208 T209 K210 K215 I216Q141-L212 HydrophobicContact CB-CD2 4.27Å; F142-L212 HydrophobicContact CD2-CD1 3.95Å; I145-L212 HydrophobicContact CD1-CB 4.23Å; I145-L212 HydrophobicContact CD1-CD2 3.51Å; I145-L212 HydrophobicContact CD1-CG 3.9Å; P208-L212 WeakPolarHBondContact O-CB 3.38Å; P208-L212 PolarHBondContact O-N 3.34Å; T209-L212 WeakPolarHBondContact O-CB 3.43Å; T209-L212 PolarHBondContact O-N 3.26Å; K210-L212 VanDerWaalsContact C-N 3.29Å; K210-L212 PolarHBondContact O-N 3.14Å; L212-K215 PolarHBondContact O-N 2.88Å; L212-I216 HydrophobicContact CD1-CD1 4.31Å; L212-I216 HydrophobicContact CG-CD1 4.07Å; L212-I216 WeakPolarHBondContact O-CB 3.09Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.22Å; L212-I216 PolarHBondContact O-N 3.37Å
213I89.3Confident79.1Confident2 Ų274 Ų741%0.0138%0.375CS..Hα-helixtrans-58.4-50.1173.9-69.6166.2000110.6I145 L149 L192 T209 K210 K215 I216 Q217I145-I213 HydrophobicContact CG2-CG1 3.59Å; L149-I213 HydrophobicContact CD1-CG2 4.38Å; L149-I213 HydrophobicContact CD2-CG2 4.45Å; L192-I213 HydrophobicContact CB-CD1 3.77Å; L192-I213 HydrophobicContact CD1-CD1 4.46Å; T209-I213 HydrophobicContact CG2-CD1 4.28Å; T209-I213 WeakPolarHBondContact O-CG1 3.32Å; T209-I213 PolarHBondContact O-N 3.49Å; K210-I213 PolarHBondContact O-N 3.28Å; I213-K215 PolarHBondContact O-N 2.9Å; I213-I216 PolarHBondContact O-N 3.48Å; I213-Q217 HydrophobicContact CG2-CG 4.42Å; I213-Q217 WeakPolarHBondContact O-CG 3.35Å; I213-Q217 PolarHBondContact O-N 3.39Å
214K89.4Confident81.3Confident111 Ų11169.8 Ų69.848%0.48335%0.347SS..Hα-helixtrans-58-47177.6-73.5-175.8176.9-172.30111.9K210 Q211 I216 Q217 E218K210-K214 PolarHBondContact O-N 3.28Å; Q211-K214 PolarHBondContact O-N 2.91Å; K214-I216 VanDerWaalsContact C-N 3.34Å; K214-I216 PolarHBondContact O-N 3.37Å; K214-Q217 PolarHBondContact O-N 2.86Å; K214-E218 WeakPolarHBondContact O-CG 3.28Å; K214-E218 PolarHBondContact O-N 3.24Å
215K91.9Very high83.5Confident112 Ų11270.6 Ų70.649%0.48734%0.338SS..Hα-helixtrans-59.4-43.6177.4-177179.4179-179.80112Q211 L212 I213 E218 Q219Q211-K215 WeakPolarHBondContact O-CB 3.45Å; Q211-K215 PolarHBondContact O-N 3.39Å; L212-K215 PolarHBondContact O-N 2.88Å; I213-K215 PolarHBondContact O-N 2.9Å; K215-E218 PolarHBondContact O-N 3Å; K215-Q219 WeakPolarHBondContact O-CB 3.21Å; K215-Q219 VanDerWaalsContact O-CG 3.29Å; K215-Q219 WeakPolarHBondContact O-CG 3.11Å; K215-Q219 PolarHBondContact O-N 2.95Å
216I92.6Very high85.5Confident2 Ų274.5 Ų74.51%0.0135%0.349CS..Hα-helixtrans-63.6-44176.9-71165.8000110.2F142 I145 L149 L212 I213 K214 Q219 R220F142-I216 HydrophobicContact CD2-CD1 3.92Å; F142-I216 HydrophobicContact CD2-CG1 3.93Å; F142-I216 HydrophobicContact CE2-CD1 3.95Å; F142-I216 HydrophobicContact CE2-CG1 3.47Å; F142-I216 VanDerWaalsContact CE2-CG1 3.47Å; F142-I216 HydrophobicContact CZ-CG1 4.11Å; I145-I216 HydrophobicContact CB-CD1 3.98Å; I145-I216 HydrophobicContact CG2-CD1 3.63Å; L149-I216 HydrophobicContact CD1-CB 4.32Å; L149-I216 HydrophobicContact CD1-CG2 3.79Å; L212-I216 HydrophobicContact CD1-CD1 4.31Å; L212-I216 HydrophobicContact CG-CD1 4.07Å; L212-I216 WeakPolarHBondContact O-CB 3.09Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.22Å; L212-I216 PolarHBondContact O-N 3.37Å; I213-I216 PolarHBondContact O-N 3.48Å; K214-I216 VanDerWaalsContact C-N 3.34Å; K214-I216 PolarHBondContact O-N 3.37Å; I216-Q219 PolarHBondContact O-N 2.82Å; I216-R220 HydrophobicContact CG2-CG 4.41Å; I216-R220 VanDerWaalsContact CG2-NE 3.34Å; I216-R220 WeakPolarHBondContact O-CB 3.39Å; I216-R220 VanDerWaalsContact O-CG 3.23Å; I216-R220 WeakPolarHBondContact O-CG 2.96Å; I216-R220 PolarHBondContact O-N 3.01Å
217Q91.5Very high87.2Confident80 Ų8069.8 Ų69.837%0.37433%0.333SS..Hα-helixtrans-61.9-44.5177.4-72.5173.1-22.900112.2I213 K214 R220 Q221I213-Q217 HydrophobicContact CG2-CG 4.42Å; I213-Q217 WeakPolarHBondContact O-CG 3.35Å; I213-Q217 PolarHBondContact O-N 3.39Å; K214-Q217 PolarHBondContact O-N 2.86Å; Q217-R220 WeakPolarHBondContact O-CB 3.44Å; Q217-R220 PolarHBondContact O-N 3.42Å; Q217-Q221 WeakPolarHBondContact O-CG 3.31Å; Q217-Q221 PolarHBondContact O-N 2.91Å
218E92.6Very high88.3Confident111 Ų11175 Ų7552%0.51935%0.353SS..Hα-helixtrans-60.4-46.9175.1-72.9167.6-170.800111.5K214 K215 R220 Q221 Q222K214-E218 WeakPolarHBondContact O-CG 3.28Å; K214-E218 PolarHBondContact O-N 3.24Å; K215-E218 PolarHBondContact O-N 3Å; E218-R220 VanDerWaalsContact C-N 3.29Å; E218-R220 PolarHBondContact O-N 3.28Å; E218-Q221 PolarHBondContact O-N 2.77Å; E218-Q222 WeakPolarHBondContact O-CG 3.33Å; E218-Q222 PolarHBondContact O-N 2.82Å
219Q92.3Very high89Confident70 Ų7074 Ų7433%0.32735%0.348SS..Hα-helixtrans-60.2-38.9175.9-74.9179.8-20.300112.1K215 I216 K223K215-Q219 WeakPolarHBondContact O-CB 3.21Å; K215-Q219 VanDerWaalsContact O-CG 3.29Å; K215-Q219 WeakPolarHBondContact O-CG 3.11Å; K215-Q219 PolarHBondContact O-N 2.95Å; I216-Q219 PolarHBondContact O-N 2.82Å; Q219-K223 WeakPolarHBondContact O-CB 3.5Å; Q219-K223 WeakPolarHBondContact O-CG 3.26Å; Q219-K223 PolarHBondContact O-N 3.42Å
220R91.2Very high89.3Confident18 Ų1879 Ų797%0.06837%0.371CS..Hα-helixtrans-66.9-42.4175.9-74.1172.4-179.7-155.8-0.7112.2E146 L149 D150 W165 I216 Q217 E218 Q222 K223 S224E146-R220 VanDerWaalsContact CG-NH2 3.27Å; E146-R220 PolarHBondContact O-NH2 2.96Å; L149-R220 PolarHBondContact O-NH1 3.18Å; D150-R220 IonicContact OD1-CZ 3.25Å; D150-R220 VanDerWaalsContact OD1-CZ 3.25Å; D150-R220 IonicContact OD1-NH1 3.44Å; D150-R220 PolarHBondContact OD1-NH1 3.31Å; D150-R220 IonicContact OD1-NH2 2.8Å; D150-R220 PolarHBondContact OD1-NH2 3.46Å; W165-R220 HydrophobicContact CB-CB 4.33Å; W165-R220 HydrophobicContact CB-CG 4.32Å; W165-R220 HydrophobicContact CD2-CB 3.93Å; W165-R220 HydrophobicContact CD2-CG 3.69Å; W165-R220 HydrophobicContact CE3-CB 3.81Å; W165-R220 HydrophobicContact CE3-CG 4.06Å; W165-R220 HydrophobicContact CG-CB 4.16Å; W165-R220 HydrophobicContact CG-CG 3.79Å; W165-R220 HydrophobicContact CZ3-CB 4.48Å; I216-R220 HydrophobicContact CG2-CG 4.41Å; I216-R220 VanDerWaalsContact CG2-NE 3.34Å; I216-R220 WeakPolarHBondContact O-CB 3.39Å; I216-R220 VanDerWaalsContact O-CG 3.23Å; I216-R220 WeakPolarHBondContact O-CG 2.96Å; I216-R220 PolarHBondContact O-N 3.01Å; Q217-R220 WeakPolarHBondContact O-CB 3.44Å; Q217-R220 PolarHBondContact O-N 3.42Å; E218-R220 VanDerWaalsContact C-N 3.29Å; E218-R220 PolarHBondContact O-N 3.28Å; R220-Q222 VanDerWaalsContact C-N 3.34Å; R220-K223 PolarHBondContact O-N 3.39Å; R220-S224 WeakPolarHBondContact O-CB 3.43Å; R220-S224 PolarHBondContact O-N 2.97Å
221Q91.1Very high89.4Confident123 Ų12379.6 Ų79.658%0.57538%0.377SS*.Hα-helixtrans-60.9-45.2175.9-73.8176.30.600110.9Q217 E218 S224 Q225Q217-Q221 WeakPolarHBondContact O-CG 3.31Å; Q217-Q221 PolarHBondContact O-N 2.91Å; E218-Q221 PolarHBondContact O-N 2.77Å; Q221-S224 PolarHBondContact O-N 2.9Å; Q221-Q225 WeakPolarHBondContact O-CB 3.32Å; Q221-Q225 VanDerWaalsContact O-CG 3.29Å; Q221-Q225 WeakPolarHBondContact O-CG 3.35Å; Q221-Q225 PolarHBondContact O-N 3.35Å
222Q92.7Very high89.6Confident118 Ų11878.6 Ų78.655%0.55138%0.375SS*.Hα-helixtrans-60.2-49175.1-70.7175.82.700111.9E218 R220 S224 Q225 L226E218-Q222 WeakPolarHBondContact O-CG 3.33Å; E218-Q222 PolarHBondContact O-N 2.82Å; R220-Q222 VanDerWaalsContact C-N 3.34Å; Q222-S224 VanDerWaalsContact C-N 3.33Å; Q222-S224 PolarHBondContact O-N 3.43Å; Q222-Q225 PolarHBondContact O-N 2.96Å; Q222-L226 WeakPolarHBondContact O-CB 3.46Å; Q222-L226 WeakPolarHBondContact O-CG 3.48Å; Q222-L226 PolarHBondContact O-N 3.28Å
223K90Very high89.7Confident115 Ų11583.4 Ų83.450%0.539%0.394SS..Hα-helixtrans-58.7-43.7176.5-76.2-179.6179-176.60112.2W165 Q219 R220 L226 F227W165-K223 HydrophobicContact CB-CB 4.14Å; Q219-K223 WeakPolarHBondContact O-CB 3.5Å; Q219-K223 WeakPolarHBondContact O-CG 3.26Å; Q219-K223 PolarHBondContact O-N 3.42Å; R220-K223 PolarHBondContact O-N 3.39Å; K223-L226 PolarHBondContact O-N 2.88Å; K223-F227 WeakPolarHBondContact O-CB 3.38Å; K223-F227 PolarHBondContact O-N 3.18Å
224S88.5Confident89.6Confident16 Ų1684.3 Ų84.311%0.11240%0.401CS..Hα-helixtrans-65.6-41.3178.5-173.70000112.1R220 Q221 Q222 F227 K228R220-S224 WeakPolarHBondContact O-CB 3.43Å; R220-S224 PolarHBondContact O-N 2.97Å; Q221-S224 PolarHBondContact O-N 2.9Å; Q222-S224 VanDerWaalsContact C-N 3.33Å; Q222-S224 PolarHBondContact O-N 3.43Å; S224-F227 PolarHBondContact O-N 3.5Å; S224-K228 WeakPolarHBondContact O-CB 3.44Å; S224-K228 VanDerWaalsContact O-CG 3.26Å; S224-K228 WeakPolarHBondContact O-CG 3.41Å; S224-K228 PolarHBondContact O-N 2.94Å
225Q90.4Very high89.5Confident133 Ų13382.3 Ų82.362%0.62139%0.393SS*.Hα-helixtrans-64.4-44.4175.6-74.5174.5-2.300111.9Q221 Q222 K228 S229Q221-Q225 WeakPolarHBondContact O-CB 3.32Å; Q221-Q225 VanDerWaalsContact O-CG 3.29Å; Q221-Q225 WeakPolarHBondContact O-CG 3.35Å; Q221-Q225 PolarHBondContact O-N 3.35Å; Q222-Q225 PolarHBondContact O-N 2.96Å; Q225-K228 PolarHBondContact O-N 3.28Å; Q225-S229 WeakPolarHBondContact O-CB 3.38Å; Q225-S229 PolarHBondContact O-N 3.37Å
226L89.4Confident89.4Confident117 Ų11784.6 Ų84.661%0.61340%0.399SS*.Hα-helixtrans-60-48.2175.7-73.3172.5000111Q222 K223 K228 S229 Q230Q222-L226 WeakPolarHBondContact O-CB 3.46Å; Q222-L226 WeakPolarHBondContact O-CG 3.48Å; Q222-L226 PolarHBondContact O-N 3.28Å; K223-L226 PolarHBondContact O-N 2.88Å; L226-K228 PolarHBondContact O-N 3.09Å; L226-S229 PolarHBondContact O-N 3.11Å; L226-S229 PolarHBondContact O-OG 2.68Å; L226-Q230 WeakPolarHBondContact O-CB 3.45Å; L226-Q230 PolarHBondContact O-N 2.64Å
227F86Confident89.3Confident68 Ų6889.2 Ų89.230%0.29842%0.423SS..Hα-helixtrans-59.9-47.5176.9-178.5-104.4000112P167 K223 S224 S229 Q230 V231P167-F227 HydrophobicContact CB-CE1 3.96Å; P167-F227 HydrophobicContact CB-CE2 4.19Å; P167-F227 HydrophobicContact CB-CZ 3.73Å; P167-F227 HydrophobicContact CG-CD1 4.01Å; P167-F227 HydrophobicContact CG-CD2 3.65Å; P167-F227 HydrophobicContact CG-CE1 3.71Å; P167-F227 HydrophobicContact CG-CE2 3.33Å; P167-F227 HydrophobicContact CG-CG 3.98Å; P167-F227 HydrophobicContact CG-CZ 3.37Å; K223-F227 WeakPolarHBondContact O-CB 3.38Å; K223-F227 PolarHBondContact O-N 3.18Å; S224-F227 PolarHBondContact O-N 3.5Å; F227-S229 VanDerWaalsContact C-N 3.31Å; F227-S229 PolarHBondContact O-N 3.31Å; F227-Q230 WeakPolarHBondContact O-CB 3.5Å; F227-Q230 PolarHBondContact O-N 3.46Å; F227-Q230 VanDerWaalsContact O-N 3.09Å; F227-V231 HydrophobicContact CD1-CG2 4.06Å; F227-V231 HydrophobicContact CD2-CG2 4.42Å; F227-V231 HydrophobicContact CE1-CG2 3.57Å; F227-V231 HydrophobicContact CE2-CG2 3.96Å; F227-V231 HydrophobicContact CG-CG2 4.46Å; F227-V231 HydrophobicContact CZ-CG2 3.51Å; F227-V231 WeakPolarHBondContact O-CG2 3.42Å; F227-V231 PolarHBondContact O-N 3.16Å
228K86.6Confident89.2Confident128 Ų12885.4 Ų85.456%0.55741%0.405SS*.Hα-helixtrans-56.9-44.2175.2-75.1175.1-177.5-175.90111.9S224 Q225 L226 Q230 V231 I232S224-K228 WeakPolarHBondContact O-CB 3.44Å; S224-K228 VanDerWaalsContact O-CG 3.26Å; S224-K228 WeakPolarHBondContact O-CG 3.41Å; S224-K228 PolarHBondContact O-N 2.94Å; Q225-K228 PolarHBondContact O-N 3.28Å; L226-K228 PolarHBondContact O-N 3.09Å; K228-Q230 VanDerWaalsContact C-N 3.3Å; K228-Q230 PolarHBondContact O-N 2.83Å; K228-V231 PolarHBondContact O-N 2.93Å; K228-I232 WeakPolarHBondContact O-CD1 3.25Å; K228-I232 VanDerWaalsContact O-CG1 3.26Å; K228-I232 WeakPolarHBondContact O-CG1 3.34Å; K228-I232 PolarHBondContact O-N 2.67Å
229S89.1Confident89.1Confident48 Ų4882.6 Ų82.634%0.33639%0.394SS..Hα-helixtrans-64.6-35.8177.878.80000112.3Q225 L226 F227 K233Q225-S229 WeakPolarHBondContact O-CB 3.38Å; Q225-S229 PolarHBondContact O-N 3.37Å; L226-S229 PolarHBondContact O-N 3.11Å; L226-S229 PolarHBondContact O-OG 2.68Å; F227-S229 VanDerWaalsContact C-N 3.31Å; F227-S229 PolarHBondContact O-N 3.31Å; S229-K233 VanDerWaalsContact O-CG 3.28Å; S229-K233 WeakPolarHBondContact O-CG 3.49Å; S229-K233 PolarHBondContact O-N 3.13Å
230Q87.6Confident89Confident106 Ų10683.4 Ų83.450%0.49540%0.4SS..Hα-helixtrans-69.5-44.7176.6-173.6172.17.800111.1L226 F227 K228 I232 K233 S234L226-Q230 WeakPolarHBondContact O-CB 3.45Å; L226-Q230 PolarHBondContact O-N 2.64Å; F227-Q230 WeakPolarHBondContact O-CB 3.5Å; F227-Q230 PolarHBondContact O-N 3.46Å; F227-Q230 VanDerWaalsContact O-N 3.09Å; K228-Q230 VanDerWaalsContact C-N 3.3Å; K228-Q230 PolarHBondContact O-N 2.83Å; Q230-I232 VanDerWaalsContact C-N 3.33Å; Q230-I232 PolarHBondContact O-N 2.74Å; Q230-K233 PolarHBondContact O-N 2.71Å; Q230-S234 WeakPolarHBondContact O-CB 3.21Å; Q230-S234 PolarHBondContact O-N 3.13Å; Q230-S234 PolarHBondContact O-OG 2.79Å
231V84.9Confident89Confident51 Ų5183 Ų8331%0.30940%0.4SS..Hα-helixtrans-58.3-45.6174.7172.20000110.9F227 K228 K233 S234 H235F227-V231 HydrophobicContact CD1-CG2 4.06Å; F227-V231 HydrophobicContact CD2-CG2 4.42Å; F227-V231 HydrophobicContact CE1-CG2 3.57Å; F227-V231 HydrophobicContact CE2-CG2 3.96Å; F227-V231 HydrophobicContact CG-CG2 4.46Å; F227-V231 HydrophobicContact CZ-CG2 3.51Å; F227-V231 WeakPolarHBondContact O-CG2 3.42Å; F227-V231 PolarHBondContact O-N 3.16Å; K228-V231 PolarHBondContact O-N 2.93Å; V231-K233 PolarHBondContact O-N 3.27Å; V231-S234 PolarHBondContact O-N 3.41Å; V231-H235 VanDerWaalsContact O-CB 3.32Å; V231-H235 WeakPolarHBondContact O-CB 3.48Å; V231-H235 PolarHBondContact O-N 3.26Å
232I88.3Confident89Confident89 Ų8977.2 Ų77.246%0.45637%0.373SS..Hα-helixtrans-61.7-44.6177.4-67.9164.1000111.1K228 Q230 H235 R236K228-I232 WeakPolarHBondContact O-CD1 3.25Å; K228-I232 VanDerWaalsContact O-CG1 3.26Å; K228-I232 WeakPolarHBondContact O-CG1 3.34Å; K228-I232 PolarHBondContact O-N 2.67Å; Q230-I232 VanDerWaalsContact C-N 3.33Å; Q230-I232 PolarHBondContact O-N 2.74Å; I232-H235 PolarHBondContact O-N 2.88Å; I232-R236 WeakPolarHBondContact O-CG 3.47Å; I232-R236 PolarHBondContact O-N 2.84Å
233K89.2Confident88.9Confident134 Ų13476 Ų7658%0.58337%0.37SS*.Hα-helixtrans-62.4-45.5177.1-74.7174.2-178.6-176.50111.7S229 Q230 V231 H235 R236 L237S229-K233 VanDerWaalsContact O-CG 3.28Å; S229-K233 WeakPolarHBondContact O-CG 3.49Å; S229-K233 PolarHBondContact O-N 3.13Å; Q230-K233 PolarHBondContact O-N 2.71Å; V231-K233 PolarHBondContact O-N 3.27Å; K233-H235 VanDerWaalsContact C-N 3.34Å; K233-R236 PolarHBondContact O-N 3.37Å; K233-L237 WeakPolarHBondContact O-CB 3.27Å; K233-L237 VanDerWaalsContact O-CG 3.32Å; K233-L237 WeakPolarHBondContact O-CG 3.34Å; K233-L237 PolarHBondContact O-N 3.25Å
234S86.4Confident89Confident21 Ų2174.6 Ų74.615%0.14737%0.366CS..Hα-helixtrans-65.1-36.8177.4-65.50000112.4Q230 V231 L237 L238Q230-S234 WeakPolarHBondContact O-CB 3.21Å; Q230-S234 PolarHBondContact O-N 3.13Å; Q230-S234 PolarHBondContact O-OG 2.79Å; V231-S234 PolarHBondContact O-N 3.41Å; S234-L237 PolarHBondContact O-N 3.48Å; S234-L238 WeakPolarHBondContact O-CB 3.23Å; S234-L238 PolarHBondContact O-N 3.25Å
235H88.1Confident89.2Confident68 Ų6873.9 Ų73.932%0.31536%0.36SS..Hα-helixtrans-65.7-43.5175.3-164.3-64.5000111.5V231 I232 K233 L238 D239 L394V231-H235 VanDerWaalsContact O-CB 3.32Å; V231-H235 WeakPolarHBondContact O-CB 3.48Å; V231-H235 PolarHBondContact O-N 3.26Å; I232-H235 PolarHBondContact O-N 2.88Å; K233-H235 VanDerWaalsContact C-N 3.34Å; H235-L238 PolarHBondContact O-N 3.41Å; H235-D239 IonicContact CE1-OD1 3.28Å; H235-D239 IonicContact CE1-OD2 3.11Å; H235-D239 PolarHBondContact CE1-OD2 3.43Å; H235-D239 IonicContact ND1-OD1 3.99Å; H235-D239 IonicContact ND1-OD2 2.7Å; H235-D239 PolarHBondContact ND1-OD2 2.91Å; H235-D239 PolarHBondContact O-N 3.04Å; H235-L394 WeakPolarHBondContact NE2-CD1 3.34Å
236R89.7Confident89.2Confident160 Ų16072.2 Ų72.260%0.60435%0.352SS*.Hα-helixtrans-61.9-49173.9-70.9175.9-173.2176.20.4111.4I232 K233 L238 D239 D240I232-R236 WeakPolarHBondContact O-CG 3.47Å; I232-R236 PolarHBondContact O-N 2.84Å; K233-R236 PolarHBondContact O-N 3.37Å; R236-L238 PolarHBondContact O-N 2.99Å; R236-D239 PolarHBondContact O-N 3.49Å; R236-D240 VanDerWaalsContact O-CB 3.3Å; R236-D240 WeakPolarHBondContact O-CB 3.37Å; R236-D240 PolarHBondContact O-N 2.9Å
237L90Very high89.3Confident100 Ų10074.3 Ų74.352%0.52436%0.359SS..Hα-helixtrans-57.3-38.8176.3-74.7170.3000112.4K233 S234 C241K233-L237 WeakPolarHBondContact O-CB 3.27Å; K233-L237 VanDerWaalsContact O-CG 3.32Å; K233-L237 WeakPolarHBondContact O-CG 3.34Å; K233-L237 PolarHBondContact O-N 3.25Å; S234-L237 PolarHBondContact O-N 3.48Å; L237-C241 WeakPolarHBondContact O-CB 3.46Å; L237-C241 PolarHBondContact O-N 3.28Å
238L89.3Confident89.5Confident0 Ų072.4 Ų72.40%035%0.354CS..Hα-helixtrans-67.7-48.8175.8-179.764.7000111.4S234 H235 R236 C241 L242 L382 F390 R398S234-L238 WeakPolarHBondContact O-CB 3.23Å; S234-L238 PolarHBondContact O-N 3.25Å; H235-L238 PolarHBondContact O-N 3.41Å; R236-L238 PolarHBondContact O-N 2.99Å; L238-C241 PolarHBondContact O-N 2.9Å; L238-L242 HydrophobicContact CD1-CD1 4.2Å; L238-L242 HydrophobicContact CD1-CG 4.25Å; L238-L242 HydrophobicContact CG-CD1 4Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 WeakPolarHBondContact O-CB 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 3.47Å; L238-L382 HydrophobicContact CD1-CD2 3.51Å; L238-F390 HydrophobicContact CD2-CD1 4.17Å; L238-F390 HydrophobicContact CD2-CD2 3.96Å; L238-F390 HydrophobicContact CD2-CE1 4.11Å; L238-F390 HydrophobicContact CD2-CE2 3.86Å; L238-F390 HydrophobicContact CD2-CG 4.09Å; L238-F390 HydrophobicContact CD2-CZ 3.94Å; L238-R398 HydrophobicContact CD1-CB 4.29Å; L238-R398 HydrophobicContact CD1-CG 4.01Å
239D89.9Confident89.8Confident52 Ų5267.6 Ų67.628%0.27834%0.336SS..Hα-helixtrans-62.2-45.2179.1-73.1-28.4000111.5H235 R236 L242 N243H235-D239 IonicContact CE1-OD1 3.28Å; H235-D239 IonicContact CE1-OD2 3.11Å; H235-D239 PolarHBondContact CE1-OD2 3.43Å; H235-D239 IonicContact ND1-OD1 3.99Å; H235-D239 IonicContact ND1-OD2 2.7Å; H235-D239 PolarHBondContact ND1-OD2 2.91Å; H235-D239 PolarHBondContact O-N 3.04Å; R236-D239 PolarHBondContact O-N 3.49Å; D239-L242 PolarHBondContact O-N 3.41Å; D239-N243 WeakPolarHBondContact O-CB 3.46Å; D239-N243 PolarHBondContact O-N 2.96Å; D239-N243 PolarHBondContact O-ND2 3Å; D239-N243 VanDerWaalsContact O-ND2 3.1Å
240D91.1Very high89.9Confident87 Ų8772.7 Ų72.747%0.46536%0.355SS..Hα-helixtrans-59.5-48.6177.1-64.5-22.9000110.1R236 L242 N243 E244R236-D240 VanDerWaalsContact O-CB 3.3Å; R236-D240 WeakPolarHBondContact O-CB 3.37Å; R236-D240 PolarHBondContact O-N 2.9Å; D240-L242 PolarHBondContact O-N 2.92Å; D240-N243 PolarHBondContact O-N 3.42Å; D240-E244 WeakPolarHBondContact O-CG 3.46Å; D240-E244 PolarHBondContact O-N 3.38Å
241C91Very high90.1Very high8 Ų870.2 Ų70.25%0.05435%0.35CS..Hα-helixtrans-62.9-40.9177.1-175.60000112.4L237 L238 N243 E244 I245 T381 L382L237-C241 WeakPolarHBondContact O-CB 3.46Å; L237-C241 PolarHBondContact O-N 3.28Å; L238-C241 PolarHBondContact O-N 2.9Å; C241-N243 VanDerWaalsContact C-N 3.32Å; C241-N243 PolarHBondContact O-N 3Å; C241-E244 PolarHBondContact O-N 3.31Å; C241-I245 WeakPolarHBondContact O-CD1 3.49Å; C241-I245 WeakPolarHBondContact O-CG1 3.44Å; C241-I245 PolarHBondContact O-N 2.9Å; C241-T381 HydrophobicContact CB-CG2 4.46Å; C241-L382 HydrophobicContact CB-CD2 4.32Å
242L91.4Very high90.5Very high3 Ų367.9 Ų67.92%0.01634%0.335CS..Hα-helixtrans-63.8-38.6176.1-73173.7000111.9L238 D239 D240 E246 L382 K397 K401L238-L242 HydrophobicContact CD1-CD1 4.2Å; L238-L242 HydrophobicContact CD1-CG 4.25Å; L238-L242 HydrophobicContact CG-CD1 4Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 WeakPolarHBondContact O-CB 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 3.47Å; D239-L242 PolarHBondContact O-N 3.41Å; D240-L242 PolarHBondContact O-N 2.92Å; L242-E246 PolarHBondContact O-N 2.66Å; L242-L382 HydrophobicContact CD2-CD2 4.49Å; L242-K397 HydrophobicContact CD1-CD 4.28Å; L242-K397 HydrophobicContact CD1-CG 4.43Å; L242-K397 HydrophobicContact CD2-CG 4.45Å; L242-K401 HydrophobicContact CD2-CB 4.1Å; L242-K401 HydrophobicContact CD2-CG 3.77Å
243N91.2Very high90.8Very high93 Ų9366.6 Ų66.650%0.49733%0.327SS..Hα-helixtrans-68.8-42.7176.4-67.3-28.8000111.4D239 D240 C241 I245 E246 E247D239-N243 WeakPolarHBondContact O-CB 3.46Å; D239-N243 PolarHBondContact O-N 2.96Å; D239-N243 PolarHBondContact O-ND2 3Å; D239-N243 VanDerWaalsContact O-ND2 3.1Å; D240-N243 PolarHBondContact O-N 3.42Å; C241-N243 VanDerWaalsContact C-N 3.32Å; C241-N243 PolarHBondContact O-N 3Å; N243-I245 VanDerWaalsContact C-N 3.32Å; N243-I245 PolarHBondContact O-N 3.4Å; N243-E246 WeakPolarHBondContact O-CB 3.44Å; N243-E246 PolarHBondContact O-N 3.47Å; N243-E246 VanDerWaalsContact O-N 3.13Å; N243-E247 PolarHBondContact O-N 3.49Å
244E91.9Very high91Very high85 Ų8566.5 Ų66.540%0.39733%0.329SS..Hα-helixtrans-62.7-37.1176.2-74.3-176.1-15200112.5D240 C241 E246 E247 C248 Y378D240-E244 WeakPolarHBondContact O-CG 3.46Å; D240-E244 PolarHBondContact O-N 3.38Å; C241-E244 PolarHBondContact O-N 3.31Å; E244-E246 VanDerWaalsContact C-N 3.31Å; E244-E246 PolarHBondContact O-N 2.68Å; E244-E247 PolarHBondContact O-N 3.05Å; E244-C248 PolarHBondContact O-N 2.59Å; E244-C248 PolarHBondContact O-SG 3Å; E244-Y378 HydrophobicContact CB-CE1 4.23Å; E244-Y378 WeakPolarHBondContact OE2-CE1 3.5Å; E244-Y378 PolarHBondContact OE2-OH 3.41Å
245I91.5Very high91.3Very high0 Ų065.8 Ų65.80%032%0.323CS..Hα-helixtrans-65.2-37.8174.5-67.8162.3000111C241 N243 S249 Y378 L382 K401 L405 W408C241-I245 WeakPolarHBondContact O-CD1 3.49Å; C241-I245 WeakPolarHBondContact O-CG1 3.44Å; C241-I245 PolarHBondContact O-N 2.9Å; N243-I245 VanDerWaalsContact C-N 3.32Å; N243-I245 PolarHBondContact O-N 3.4Å; I245-S249 WeakPolarHBondContact O-CB 3.45Å; I245-S249 PolarHBondContact O-N 3.2Å; I245-S249 VanDerWaalsContact O-N 3.11Å; I245-Y378 HydrophobicContact CG1-CD2 3.92Å; I245-Y378 HydrophobicContact CG1-CG 4.08Å; I245-L382 HydrophobicContact CD1-CD1 3.74Å; I245-L382 HydrophobicContact CD1-CG 4.43Å; I245-K401 HydrophobicContact CG2-CD 4.03Å; I245-L405 HydrophobicContact CD1-CD1 3.91Å; I245-L405 HydrophobicContact CD1-CG 4.47Å; I245-L405 HydrophobicContact CG1-CD2 4.4Å; I245-L405 HydrophobicContact CG2-CD2 4.4Å; I245-W408 HydrophobicContact CG2-CZ3 4.27Å
246E91.1Very high91.6Very high98 Ų9862.6 Ų62.646%0.45831%0.309SS..Hα-helixtrans-70.9-34.5178.3-158.1157.917100111.5L242 N243 E244 S249 K397L242-E246 PolarHBondContact O-N 2.66Å; N243-E246 WeakPolarHBondContact O-CB 3.44Å; N243-E246 PolarHBondContact O-N 3.47Å; N243-E246 VanDerWaalsContact O-N 3.13Å; E244-E246 VanDerWaalsContact C-N 3.31Å; E244-E246 PolarHBondContact O-N 2.68Å; E246-S249 PolarHBondContact O-OG 3.37Å; E246-K397 IonicContact OE2-NZ 3.24Å; E246-K397 PolarHBondContact OE2-NZ 2.89Å
247E91.7Very high91.7Very high161 Ų16158.1 Ų58.175%0.75230%0.299SS*.Hα-helixtrans-69.9-40174.5-172.6178.4-177.500112.7N243 E244N243-E247 PolarHBondContact O-N 3.49Å; E244-E247 PolarHBondContact O-N 3.05Å
248C90.2Very high91.9Very high28 Ų2855 Ų5519%0.18929%0.285CS..Hα-helixtrans-85.8-7.1-179.171.60000114.4E244 E250 S251 V252E244-C248 PolarHBondContact O-N 2.59Å; E244-C248 PolarHBondContact O-SG 3Å; C248-E250 PolarHBondContact O-N 3.5Å; C248-S251 PolarHBondContact O-N 3.24Å; C248-V252 VanDerWaalsContact O-CG2 3.25Å; C248-V252 WeakPolarHBondContact O-CG2 3.37Å; C248-V252 PolarHBondContact O-N 3.01Å
249S91.7Very high92Very high27 Ų2755 Ų5519%0.18929%0.285CS..Hα-helixtrans-62.3-43-173.560.80000113.5I245 E246 E253 W408I245-S249 WeakPolarHBondContact O-CB 3.45Å; I245-S249 PolarHBondContact O-N 3.2Å; I245-S249 VanDerWaalsContact O-N 3.11Å; E246-S249 PolarHBondContact O-OG 3.37Å; S249-E253 WeakPolarHBondContact O-CB 3.36Å; S249-E253 PolarHBondContact O-N 2.82Å; S249-W408 VanDerWaalsContact CB-CH2 3.43Å
250E92.2Very high92.1Very high155 Ų15554.2 Ų54.272%0.72428%0.284SS*.Hα-helixtrans-66.6-47.4-178.3-64.7-177.8174.500110.6C248 V252 E253 E254C248-E250 PolarHBondContact O-N 3.5Å; E250-V252 VanDerWaalsContact C-N 3.35Å; E250-V252 PolarHBondContact O-N 3.37Å; E250-E253 PolarHBondContact O-N 3.35Å; E250-E254 WeakPolarHBondContact O-CB 3.45Å; E250-E254 PolarHBondContact O-N 3.14Å
251S92.5Very high92.1Very high55 Ų5553.5 Ų53.539%0.38528%0.283SS..Hα-helixtrans-63.5-37.6179.6175.40000113C248 N255C248-S251 PolarHBondContact O-N 3.24Å; S251-N255 WeakPolarHBondContact O-CB 3.48Å; S251-N255 PolarHBondContact O-N 3.41Å
252V93.1Very high92.1Very high1 Ų154 Ų541%0.00629%0.285CS..Hα-helixtrans-67-48.8176171.90000110.3C248 E250 N255 L256 H371 L375 W408C248-V252 VanDerWaalsContact O-CG2 3.25Å; C248-V252 WeakPolarHBondContact O-CG2 3.37Å; C248-V252 PolarHBondContact O-N 3.01Å; E250-V252 VanDerWaalsContact C-N 3.35Å; E250-V252 PolarHBondContact O-N 3.37Å; V252-N255 PolarHBondContact O-N 3.05Å; V252-L256 HydrophobicContact CG1-CD1 3.86Å; V252-L256 HydrophobicContact CG1-CG 4.38Å; V252-L256 VanDerWaalsContact O-CG 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.46Å; V252-L256 PolarHBondContact O-N 3.01Å; V252-H371 HydrophobicContact CG2-CB 4.34Å; V252-H371 VanDerWaalsContact CG2-ND1 3.29Å; V252-H371 WeakPolarHBondContact CG2-ND1 3.47Å; V252-L375 HydrophobicContact CG1-CD1 4.33Å; V252-L375 HydrophobicContact CG2-CD2 4.47Å; V252-W408 HydrophobicContact CG1-CB 4.45Å; V252-W408 HydrophobicContact CG1-CD2 3.92Å; V252-W408 HydrophobicContact CG1-CE3 4.25Å; V252-W408 HydrophobicContact CG1-CG 4.02Å
253E93.2Very high91.9Very high62 Ų6254.3 Ų54.329%0.2929%0.287SS..Hα-helixtrans-66.6-42.3-176.6-16860.7-142.600111.7S249 E250 N255 L256 V257 W408 R411S249-E253 WeakPolarHBondContact O-CB 3.36Å; S249-E253 PolarHBondContact O-N 2.82Å; E250-E253 PolarHBondContact O-N 3.35Å; E253-N255 VanDerWaalsContact C-N 3.35Å; E253-N255 PolarHBondContact O-N 2.98Å; E253-L256 PolarHBondContact O-N 3.15Å; E253-V257 HydrophobicContact CG-CG2 4.31Å; E253-V257 WeakPolarHBondContact O-CB 3.21Å; E253-V257 VanDerWaalsContact O-CG2 3.29Å; E253-V257 WeakPolarHBondContact O-CG2 3.39Å; E253-V257 PolarHBondContact O-N 3.48Å; E253-W408 PolarHBondContact OE2-NE1 3.42Å; E253-R411 VanDerWaalsContact CD-NH1 3.31Å; E253-R411 IonicContact OE1-CZ 2.93Å; E253-R411 IonicContact OE1-NH1 2.74Å; E253-R411 PolarHBondContact OE1-NH1 3.48Å; E253-R411 IonicContact OE1-NH2 2.67Å; E253-R411 PolarHBondContact OE1-NH2 3.1Å; E253-R411 IonicContact OE2-NH1 3.31Å; E253-R411 PolarHBondContact OE2-NH1 2.86Å; E253-R411 VanDerWaalsContact OE2-NH1 3.11Å
254E93.7Very high91.6Very high133 Ų13354.1 Ų54.162%0.62129%0.286SS*.Hα-helixtrans-58.2-45.5175.6-176.3-175.9-179.800111.7E250 S258E250-E254 WeakPolarHBondContact O-CB 3.45Å; E250-E254 PolarHBondContact O-N 3.14Å; E254-S258 VanDerWaalsContact O-CB 3.28Å; E254-S258 WeakPolarHBondContact O-CB 3.18Å; E254-S258 PolarHBondContact O-N 3.23Å; E254-S258 PolarHBondContact O-OG 3Å
255N93.5Very high91.3Very high5 Ų554 Ų543%0.02729%0.287CS..Hα-helixtrans-63.2-43.2176.9-179.941.4000111.8S251 V252 E253 S258 L259 F363 L366 A367 H371S251-N255 WeakPolarHBondContact O-CB 3.48Å; S251-N255 PolarHBondContact O-N 3.41Å; V252-N255 PolarHBondContact O-N 3.05Å; E253-N255 VanDerWaalsContact C-N 3.35Å; E253-N255 PolarHBondContact O-N 2.98Å; N255-S258 PolarHBondContact O-N 3.48Å; N255-L259 VanDerWaalsContact O-CB 3.32Å; N255-L259 WeakPolarHBondContact O-CB 3.46Å; N255-L259 PolarHBondContact O-N 2.9Å; N255-F363 PolarHBondContact ND2-O 2.99Å; N255-F363 WeakPolarHBondContact OD1-CA 3.31Å; N255-F363 VanDerWaalsContact OD1-CB 3.29Å; N255-F363 WeakPolarHBondContact OD1-CB 3.4Å; N255-F363 WeakPolarHBondContact OD1-CD1 3.33Å; N255-F363 PolarHBondContact OD1-O 3.39Å; N255-L366 HydrophobicContact CB-CD2 4.34Å; N255-A367 PolarHBondContact ND2-N 3.15Å; N255-H371 PolarHBondContact ND2-CD2 3.36Å
256L92.9Very high90.8Very high1 Ų154 Ų541%0.00529%0.287CS..Hα-helixtrans-70.3-37.9-179.7-67177.4000112.9V252 E253 S260 A367 W408 R411 I412 L415V252-L256 HydrophobicContact CG1-CD1 3.86Å; V252-L256 HydrophobicContact CG1-CG 4.38Å; V252-L256 VanDerWaalsContact O-CG 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.46Å; V252-L256 PolarHBondContact O-N 3.01Å; E253-L256 PolarHBondContact O-N 3.15Å; L256-S260 WeakPolarHBondContact O-CB 3.41Å; L256-S260 PolarHBondContact O-N 3.42Å; L256-A367 HydrophobicContact CD2-CB 4.43Å; L256-W408 HydrophobicContact CD1-CG 4.46Å; L256-R411 HydrophobicContact CD1-CB 4.26Å; L256-I412 HydrophobicContact CD1-CG1 4.27Å; L256-I412 HydrophobicContact CD2-CG1 3.56Å; L256-I412 HydrophobicContact CG-CG1 4.46Å; L256-L415 HydrophobicContact CB-CD1 4.33Å; L256-L415 HydrophobicContact CD2-CD1 3.96Å
257V93.6Very high90.3Very high66 Ų6651.3 Ų51.340%0.428%0.277SS..Hα-helixtrans-65.2-47.5173.9171.40000109.7E253 L259 S260 T261E253-V257 HydrophobicContact CG-CG2 4.31Å; E253-V257 WeakPolarHBondContact O-CB 3.21Å; E253-V257 VanDerWaalsContact O-CG2 3.29Å; E253-V257 WeakPolarHBondContact O-CG2 3.39Å; E253-V257 PolarHBondContact O-N 3.48Å; V257-L259 VanDerWaalsContact C-N 3.34Å; V257-L259 PolarHBondContact O-N 3.2Å; V257-S260 WeakPolarHBondContact O-CB 3.25Å; V257-S260 PolarHBondContact O-N 2.95Å; V257-S260 VanDerWaalsContact O-N 3.15Å; V257-T261 PolarHBondContact O-N 2.88Å; V257-T261 PolarHBondContact O-OG1 2.87Å; V257-T261 VanDerWaalsContact O-OG1 3.08Å
258S93.6Very high89.5Confident34 Ų3447 Ų4724%0.23826%0.263CS..Hα-helixtrans-58.6-45.2177.7-58.90000111.9E254 N255 T261 I262E254-S258 VanDerWaalsContact O-CB 3.28Å; E254-S258 WeakPolarHBondContact O-CB 3.18Å; E254-S258 PolarHBondContact O-N 3.23Å; E254-S258 PolarHBondContact O-OG 3Å; N255-S258 PolarHBondContact O-N 3.48Å; S258-T261 PolarHBondContact O-N 3.41Å; S258-I262 WeakPolarHBondContact O-CD1 3.06Å; S258-I262 WeakPolarHBondContact O-CG1 3.44Å; S258-I262 PolarHBondContact O-N 3.43Å
259L91.9Very high88Confident0 Ų049.7 Ų49.70%028%0.275CS..Hα-helixtrans-63.8-42.4176-177.159.2000111.8N255 V257 I262 L263 F363 A364 L415 T416N255-L259 VanDerWaalsContact O-CB 3.32Å; N255-L259 WeakPolarHBondContact O-CB 3.46Å; N255-L259 PolarHBondContact O-N 2.9Å; V257-L259 VanDerWaalsContact C-N 3.34Å; V257-L259 PolarHBondContact O-N 3.2Å; L259-I262 PolarHBondContact O-N 2.75Å; L259-L263 HydrophobicContact CD1-CD1 4.09Å; L259-L263 HydrophobicContact CD1-CG 4.2Å; L259-L263 HydrophobicContact CG-CD1 3.95Å; L259-L263 HydrophobicContact CG-CG 4.46Å; L259-L263 WeakPolarHBondContact O-CB 3.32Å; L259-L263 VanDerWaalsContact O-CG 3.23Å; L259-L263 WeakPolarHBondContact O-CG 3.28Å; L259-L263 PolarHBondContact O-N 2.87Å; L259-F363 HydrophobicContact CB-CB 4.06Å; L259-F363 HydrophobicContact CD1-CB 4.13Å; L259-A364 HydrophobicContact CD1-CB 4.18Å; L259-A364 HydrophobicContact CD2-CB 4.36Å; L259-L415 HydrophobicContact CB-CD1 4.41Å; L259-L415 HydrophobicContact CD2-CB 3.72Å; L259-L415 HydrophobicContact CD2-CD1 4.18Å; L259-L415 HydrophobicContact CG-CB 4.25Å; L259-L415 HydrophobicContact CG-CD1 4.35Å; L259-T416 HydrophobicContact CD2-CG2 4.28Å
260S91.4Very high86.2Confident36 Ų3653.8 Ų53.825%0.25230%0.302SS..Hα-helixtrans-60.1-49.6176.1-167.10000111.3L256 V257 I262 L263 D264L256-S260 WeakPolarHBondContact O-CB 3.41Å; L256-S260 PolarHBondContact O-N 3.42Å; V257-S260 WeakPolarHBondContact O-CB 3.25Å; V257-S260 PolarHBondContact O-N 2.95Å; V257-S260 VanDerWaalsContact O-N 3.15Å; S260-I262 VanDerWaalsContact C-N 3.32Å; S260-I262 PolarHBondContact O-N 3.19Å; S260-L263 PolarHBondContact O-N 3.44Å; S260-L263 VanDerWaalsContact O-N 3.14Å; S260-D264 VanDerWaalsContact O-CG 3.27Å; S260-D264 PolarHBondContact O-N 2.85Å
261T90.9Very high84.3Confident73 Ų7351.2 Ų51.245%0.44830%0.296SS..Hα-helixtrans-60.6-41.2-179.7-56.10000111.9V257 S258 D264 I265V257-T261 PolarHBondContact O-N 2.88Å; V257-T261 PolarHBondContact O-OG1 2.87Å; V257-T261 VanDerWaalsContact O-OG1 3.08Å; S258-T261 PolarHBondContact O-N 3.41Å; T261-D264 PolarHBondContact O-N 2.95Å; T261-I265 HydrophobicContact CG2-CD1 4.34Å; T261-I265 VanDerWaalsContact O-CG1 3.3Å; T261-I265 WeakPolarHBondContact O-CG1 3.37Å; T261-I265 PolarHBondContact O-N 3.2Å; T261-I265 VanDerWaalsContact O-N 3.13Å
262I90Very high82.4Confident19 Ų1952.4 Ų52.410%0.09731%0.305CS..Hα-helixtrans-66.7-41.3176.6-67.5163.1000111S258 L259 S260 D264 I265 L266 L356 A360 F363S258-I262 WeakPolarHBondContact O-CD1 3.06Å; S258-I262 WeakPolarHBondContact O-CG1 3.44Å; S258-I262 PolarHBondContact O-N 3.43Å; L259-I262 PolarHBondContact O-N 2.75Å; S260-I262 VanDerWaalsContact C-N 3.32Å; S260-I262 PolarHBondContact O-N 3.19Å; I262-D264 VanDerWaalsContact C-N 3.35Å; I262-I265 PolarHBondContact O-N 3.44Å; I262-L266 HydrophobicContact CG2-CD1 3.94Å; I262-L266 HydrophobicContact CG2-CG 4.4Å; I262-L266 WeakPolarHBondContact O-CG 3.46Å; I262-L266 PolarHBondContact O-N 2.78Å; I262-L356 HydrophobicContact CG2-CB 4.43Å; I262-L356 HydrophobicContact CG2-CD2 4.23Å; I262-A360 HydrophobicContact CG2-CB 3.74Å; I262-F363 HydrophobicContact CD1-CD2 3.47Å; I262-F363 VanDerWaalsContact CD1-CD2 3.47Å; I262-F363 HydrophobicContact CD1-CE2 3.51Å
263L87.3Confident79.9Confident9 Ų961.1 Ų61.15%0.04735%0.346CS..Hα-helixtrans-66.6-35.6177.1-71.6173.5000112.3L259 S260 I265 L266 V267 L415 L419 Y420 I423L259-L263 HydrophobicContact CD1-CD1 4.09Å; L259-L263 HydrophobicContact CD1-CG 4.2Å; L259-L263 HydrophobicContact CG-CD1 3.95Å; L259-L263 HydrophobicContact CG-CG 4.46Å; L259-L263 WeakPolarHBondContact O-CB 3.32Å; L259-L263 VanDerWaalsContact O-CG 3.23Å; L259-L263 WeakPolarHBondContact O-CG 3.28Å; L259-L263 PolarHBondContact O-N 2.87Å; S260-L263 PolarHBondContact O-N 3.44Å; S260-L263 VanDerWaalsContact O-N 3.14Å; L263-I265 VanDerWaalsContact C-N 3.32Å; L263-I265 PolarHBondContact O-N 3.04Å; L263-L266 PolarHBondContact O-N 3.47Å; L263-V267 PolarHBondContact O-N 3.12Å; L263-L415 HydrophobicContact CD1-CB 4.16Å; L263-L415 HydrophobicContact CD1-CD2 3.94Å; L263-L419 HydrophobicContact CD1-CB 4.13Å; L263-L419 HydrophobicContact CD1-CD1 4.49Å; L263-Y420 HydrophobicContact CD2-CD2 4.31Å; L263-I423 HydrophobicContact CD2-CD1 3.61Å
264D85.7Confident77.4Confident88 Ų8863.2 Ų63.247%0.47137%0.367SS..Hα-helixtrans-65.6-34.1174.5-70.3-36.5000111.8S260 T261 I262 V267 P268S260-D264 VanDerWaalsContact O-CG 3.27Å; S260-D264 PolarHBondContact O-N 2.85Å; T261-D264 PolarHBondContact O-N 2.95Å; I262-D264 VanDerWaalsContact C-N 3.35Å; D264-V267 CarbonylContact O-C 3.6Å; D264-P268 WeakPolarHBondContact O-CA 3.45Å
265I85.1Confident74.9Confident83 Ų8362 Ų6243%0.42637%0.373SS..Hα-helixtrans-71.2-43.1173.9-65.4163.3000111T261 I262 L263 L356T261-I265 HydrophobicContact CG2-CD1 4.34Å; T261-I265 VanDerWaalsContact O-CG1 3.3Å; T261-I265 WeakPolarHBondContact O-CG1 3.37Å; T261-I265 PolarHBondContact O-N 3.2Å; T261-I265 VanDerWaalsContact O-N 3.13Å; I262-I265 PolarHBondContact O-N 3.44Å; L263-I265 VanDerWaalsContact C-N 3.32Å; L263-I265 PolarHBondContact O-N 3.04Å; I265-L356 HydrophobicContact CG2-CD1 3.71Å
266L82.2Confident72.3Confident0 Ų070.2 Ų70.20%041%0.412CS..Hα-helixtrans-71.2-36.3-179.1-72.7173.6000112.6I262 L263 I347 L356 A360 I423 F425I262-L266 HydrophobicContact CG2-CD1 3.94Å; I262-L266 HydrophobicContact CG2-CG 4.4Å; I262-L266 WeakPolarHBondContact O-CG 3.46Å; I262-L266 PolarHBondContact O-N 2.78Å; L263-L266 PolarHBondContact O-N 3.47Å; L266-I347 HydrophobicContact CB-CD1 3.84Å; L266-I347 HydrophobicContact CD2-CD1 3.94Å; L266-I347 HydrophobicContact CG-CD1 4.39Å; L266-L356 HydrophobicContact CD2-CB 3.94Å; L266-L356 HydrophobicContact CD2-CD1 4.04Å; L266-L356 HydrophobicContact CG-CB 4.39Å; L266-A360 HydrophobicContact CD1-CB 4.29Å; L266-I423 HydrophobicContact CD1-CD1 4.45Å; L266-F425 HydrophobicContact CD1-CZ 4.11Å; L266-F425 HydrophobicContact CD2-CE1 4.12Å; L266-F425 HydrophobicContact CD2-CZ 4.25Å
267V79.3Confident69.7Low42 Ų4278 Ų7826%0.25545%0.451SS..SBendtrans-135.180.6-179-1720000108.8L263 D264 N269 I345 I423L263-V267 PolarHBondContact O-N 3.12Å; D264-V267 CarbonylContact O-C 3.6Å; V267-N269 PolarHBondContact O-N 2.97Å; V267-I345 HydrophobicContact CG1-CD1 3.96Å; V267-I345 HydrophobicContact CG2-CD1 4.08Å; V267-I345 HydrophobicContact CG2-CG2 4.24Å; V267-I423 HydrophobicContact CG2-CD1 3.95Å; V267-I423 HydrophobicContact CG2-CG1 4.33Å
268P75.3Confident66.8Low71 Ų7182.6 Ų82.646%0.46147%0.474SS..  trans-59.7128.7177.1-23.734.5000110.8D264 P270D264-P268 WeakPolarHBondContact O-CA 3.45Å; P268-P270 VanDerWaalsContact O-CD 3.25Å; P268-P270 WeakPolarHBondContact O-CD 3.49Å
269N59Low63.7Low83 Ų8389.6 Ų89.644%0.44450%0.5SS..  trans-71.1113.4176-179.25.8000109.4V267 T271 S272V267-N269 PolarHBondContact O-N 2.97Å; N269-T271 VanDerWaalsContact CG-OG1 3.32Å; N269-T271 PolarHBondContact ND2-OG1 2.76Å; N269-T271 PolarHBondContact O-N 3.02Å; N269-T271 PolarHBondContact OD1-N 3.48Å; N269-T271 PolarHBondContact OD1-OG1 2.51Å; N269-S272 PolarHBondContact O-N 3.08Å; N269-S272 VanDerWaalsContact O-N 3.16Å; N269-S272 PolarHBondContact O-OG 3.37Å
270P54.4Low60.5Low114 Ų11498.3 Ų98.374%0.7454%0.543SS*.THydrogen-bonded Turntrans-66.7-9.7-173.228.1-36.4000113.7P268P268-P270 VanDerWaalsContact O-CD 3.25Å; P268-P270 WeakPolarHBondContact O-CD 3.49Å
271T52.6Low57.7Low100 Ų100104.2 Ų104.261%0.61357%0.566SS**THydrogen-bonded Turntrans-88.9-12.8179.357.90000114.1N269N269-T271 VanDerWaalsContact CG-OG1 3.32Å; N269-T271 PolarHBondContact ND2-OG1 2.76Å; N269-T271 PolarHBondContact O-N 3.02Å; N269-T271 PolarHBondContact OD1-N 3.48Å; N269-T271 PolarHBondContact OD1-OG1 2.51Å
272S51.2Low54.6Low81 Ų81108.5 Ų108.557%0.56659%0.585SS**SBendtrans-77.4-24.4-175.1-440000113.1N269 S274N269-S272 PolarHBondContact O-N 3.08Å; N269-S272 VanDerWaalsContact O-N 3.16Å; N269-S272 PolarHBondContact O-OG 3.37Å; S272-S274 PolarHBondContact O-N 3.27Å
273E41.8Very low51.6Low183 Ų183113.6 Ų113.686%0.85561%0.611SS**SBendtrans-9172.6176.8-68.7-177.1179.800111
274S40.7Very low48.5Very low107 Ų107120 Ų12075%0.74864%0.641SS**SBendtrans-145.315.3167.358.10000115.1S272S272-S274 PolarHBondContact O-N 3.27Å
275S40.3Very low45.8Very low107 Ų107123 Ų12375%0.74866%0.657SS**SBendtrans-122.82.1-178.362.40000117.5
276E38.3Very low42.9Very low178 Ų178127.3 Ų127.383%0.83268%0.675SS**SBendtrans-122.10.2-178.4-70.4-163.5158.100117.4D278E276-D278 VanDerWaalsContact C-N 3.34Å; E276-D278 PolarHBondContact O-N 3.08Å
277I38.5Very low40.4Very low163 Ų163132.4 Ų132.484%0.83671%0.711SS**  trans-84.3-3.2-178-59.9175.4000113.7K279I277-K279 VanDerWaalsContact C-N 3.28Å; I277-K279 PolarHBondContact O-N 3.36Å; I277-K279 VanDerWaalsContact O-N 3.15Å
278D33.4Very low37.9Very low163 Ų163139.6 Ų139.687%0.87274%0.742SS**SBendtrans-8621-174.6-127.97.7000115.6E276E276-D278 VanDerWaalsContact C-N 3.34Å; E276-D278 PolarHBondContact O-N 3.08Å
279K28.6Very low35.7Very low182 Ų182142.9 Ų142.979%0.79176%0.761SS**SBendtrans-144.3115.6175.8-64.7-176.9-175.8170.60112I277I277-K279 VanDerWaalsContact C-N 3.28Å; I277-K279 PolarHBondContact O-N 3.36Å; I277-K279 VanDerWaalsContact O-N 3.15Å
280M25.5Very low34Very low182 Ų182145.6 Ų145.690%0.89778%0.775SS**  trans68.7115.2174.1-107.174.8148.200112.9
281E31.2Very low32.8Very low160 Ų160148.9 Ų148.975%0.74878%0.78SS**  -148.4123.550.3-87176.3137.900111.3I283E281-I283 HydrophobicContact CB-CG1 4.4Å; E281-I283 PolarHBondContact O-N 3.27Å
282I25.4Very low31.5Very low164 Ų164153.2 Ų153.284%0.84179%0.79SS**  trans-76.6102.6152.5-63.4164.9000105.4
283I27.8Very low30.5Very low125 Ų125155.2 Ų155.264%0.64181%0.805SS**  trans-132.6102.4158.9-62.6-177.4000108.4E281E281-I283 HydrophobicContact CB-CG1 4.4Å; E281-I283 PolarHBondContact O-N 3.27Å
284E22.7Very low29.7Very low145 Ų145154.4 Ų154.468%0.67880%0.803SS**  trans-51.7140.4157.2-71.8171.1126.300111.1
285N29.1Very low29.3Very low149 Ų149156.2 Ų156.280%0.79781%0.81SS**  trans17094.2141.2-81.5-24.4000105.8
286Q23.9Very low28.6Very low175 Ų175155.8 Ų155.882%0.81880%0.803SS**  42.991.576.2-66.2-165.326.100114.7
287S30.1Very low28Very low107 Ų107154.8 Ų154.875%0.74880%0.8SS**  trans-175.596.4135.855.80000106.6
288E25.3Very low27.7Very low193 Ų193154.6 Ų154.690%0.90280%0.8SS**  45.489.591.2-75.2-168.617000113.7
289T29.2Very low27.5Very low140 Ų140152.3 Ų152.386%0.85979%0.793SS**  trans-144.4115.4138.743.30000109.3
290D23.7Very low27.8Very low140 Ų140152.3 Ų152.375%0.74979%0.793SS**  trans-45.9142.2163.5-72.9-58.1000112.9
291H29.6Very low28.1Very low182 Ų182151 Ų15184%0.84379%0.789SS**  -174.5111.6110.8-91-62000111.7
292K24.9Very low28.1Very low191 Ų191148.3 Ų148.383%0.8379%0.788SS**  trans-12.9130.7152.6-68.5165.2176169.20116.5
293S31Very low28.4Very low124 Ų124149.1 Ų149.187%0.86779%0.793SS**  -158.8113.1127.5-75.20000110.1
294M25.1Very low28.6Very low166 Ų166155 Ų15582%0.81881%0.808SS**  trans-61.3135.1170.9-70.916977.700110.9
295T31.6Very low29.1Very low145 Ų145154.4 Ų154.489%0.8981%0.808SS**  trans-150.5103.5132.4-63.20000107.6
296T26.3Very low29.3Very low98 Ų98153.9 Ų153.960%0.60180%0.801SS**  trans-76.9154.2170.845.30000110.9
297M25.8Very low29.7Very low157 Ų157149.6 Ų149.677%0.77380%0.804SS**  trans97.686.4165.9-57.4-72.5170.700116.1
298N31.1Very low29.7Very low158 Ų158150 Ų15085%0.84581%0.805SS**  179.893.199.5-90.2-12.6000109.8
299T30.4Very low29.9Very low116 Ų116148.3 Ų148.371%0.71280%0.802SS**  trans-76.1137170.7-2.50000109.9
300F34.1Very low30.1Very low182 Ų182147.3 Ų147.380%0.79880%0.798SS**SBendtrans67.194157.8-69.7-80.8000117.6
301D31.9Very low30.5Very low153 Ų153144.3 Ų144.382%0.81880%0.799SS**SBendtrans137.987.7144.8-73.9-22.2000108.9
302S30.7Very low30.5Very low104 Ų104140.2 Ų140.273%0.72779%0.791SS**SBend-172.619.895.6-71.60000114.3R304S302-R304 PolarHBondContact O-N 3.34Å
303L31.3Very low31Very low181 Ų181137.5 Ų137.595%0.94880%0.796SS**  trans-81.839178.3-68.2174.8000113.5L305L303-L305 PolarHBondContact O-N 2.94Å
304R33.2Very low30.9Very low249 Ų249136.1 Ų136.194%0.9479%0.786SS**  trans-86.817.6172.3-149.8-179.7-176.2145.52.2113S302S302-R304 PolarHBondContact O-N 3.34Å
305L32.3Very low31.2Very low133 Ų133131.3 Ų131.370%0.69678%0.78SS**SBendtrans-105.7117.6176.7-82.6156.6000108.8L303L303-L305 PolarHBondContact O-N 2.94Å
306H34.4Very low30.9Very low137 Ų137134.1 Ų134.163%0.63478%0.78SS**SBendtrans75.983.2172-49.3-73.8000115.7C308H306-C308 PolarHBondContact O-N 3.16Å; H306-C308 PolarHBondContact O-SG 3.45Å; H306-C308 VanDerWaalsContact O-SG 3.4Å
307G31.2Very low31Very low85 Ų85135.3 Ų135.388%0.87679%0.793SS**  51.84.8119.100000120.7L309G307-L309 VanDerWaalsContact C-N 3.32Å; G307-L309 PolarHBondContact O-N 3.15Å
308C31Very low31.2Very low116 Ų116135.9 Ų135.978%0.78480%0.798SS**  trans-76.792.2171.3-62.30000105.9H306 P310H306-C308 PolarHBondContact O-N 3.16Å; H306-C308 PolarHBondContact O-SG 3.45Å; H306-C308 VanDerWaalsContact O-SG 3.4Å; C308-P310 VanDerWaalsContact O-CD 3.26Å; C308-P310 WeakPolarHBondContact O-CD 3.26Å; C308-P310 VanDerWaalsContact O-N 3.13Å
309L29.8Very low31.3Very low158 Ų158132.4 Ų132.483%0.82780%0.799SS**  trans-54.1116.2158.8-71.8167.2000106G307 G311G307-L309 VanDerWaalsContact C-N 3.32Å; G307-L309 PolarHBondContact O-N 3.15Å; L309-G311 PolarHBondContact O-N 3.02Å
310P33.6Very low31.7Very low119 Ų119131.1 Ų131.177%0.77380%0.795SS**  trans-72.598.1-178.828.1-29.5000107.4C308 S312C308-P310 VanDerWaalsContact O-CD 3.26Å; C308-P310 WeakPolarHBondContact O-CD 3.26Å; C308-P310 VanDerWaalsContact O-N 3.13Å; P310-S312 PolarHBondContact O-N 3.47Å; P310-S312 VanDerWaalsContact O-N 3.1Å
311G30.7Very low32Very low76 Ų76128.2 Ų128.278%0.78479%0.792SS**  trans-62107.4157.600000107.3L309 S313L309-G311 PolarHBondContact O-N 3.02Å; G311-S313 PolarHBondContact O-N 3.37Å
312S29.5Very low32.5Very low97 Ų97122.9 Ų122.968%0.67876%0.764SS**  trans-43.4132.4179.8-620000112.3P310 S314P310-S312 PolarHBondContact O-N 3.47Å; P310-S312 VanDerWaalsContact O-N 3.1Å; S312-S314 PolarHBondContact O-N 3.49Å
313S35.4Very low33.5Very low134 Ų134122.1 Ų122.194%0.93775%0.754SS**SBendtrans-68.622.8177.159.70000114.4G311G311-S313 PolarHBondContact O-N 3.37Å
314S29.2Very low34.5Very low94 Ų94116.4 Ų116.466%0.65772%0.724SS**SBendtrans-98.796.1170.2530000107.5S312 F316S312-S314 PolarHBondContact O-N 3.49Å; S314-F316 PolarHBondContact O-N 2.86Å
315G31.8Very low35.6Very low66 Ų66111.1 Ų111.168%0.6871%0.71SS**  trans-57.8101-179.800000111.9
316F24.8Very low36.6Very low203 Ų203110.3 Ų110.389%0.8971%0.705SS**  trans-154.766.3147.5-94.5-76.9000106.1S314 L318S314-F316 PolarHBondContact O-N 2.86Å; F316-L318 PolarHBondContact O-N 3.38Å; F316-L318 VanDerWaalsContact O-N 3.12Å
317S30.1Very low37.3Very low124 Ų124109.6 Ų109.687%0.86770%0.702SS**  trans-69.3104.5164.8-73.50000107.4G319S317-G319 VanDerWaalsContact C-N 3.35Å; S317-G319 PolarHBondContact O-N 3.22Å
318L28.8Very low38Very low169 Ų169111.7 Ų111.789%0.88569%0.693SS**  trans-58.6102.2160.9-74.5160.5000107.9F316 S320F316-L318 PolarHBondContact O-N 3.38Å; F316-L318 VanDerWaalsContact O-N 3.12Å; L318-S320 PolarHBondContact O-N 3.5Å
319G34.1Very low38.5Very low84 Ų84109.9 Ų109.987%0.86668%0.68SS**SBend70.8-0.2129.300000121.5S317S317-G319 VanDerWaalsContact C-N 3.35Å; S317-G319 PolarHBondContact O-N 3.22Å
320S38.2Very low38.7Very low89 Ų89107.1 Ų107.162%0.62267%0.673SS**  trans-114.599.2171.261.60000111.3L318 L322L318-S320 PolarHBondContact O-N 3.5Å; S320-L322 PolarHBondContact O-N 3.4Å
321T39.5Very low39.1Very low122 Ų122106.6 Ų106.675%0.74866%0.663SS**  trans-71.112.5175.142.70000113.9T323T321-T323 PolarHBondContact O-N 2.9Å
322L42.5Very low39.7Very low41 Ų41108.3 Ų108.322%0.21566%0.663CS.*  trans-83.7101.4-180-62.1176.8000110.4S320 I324 T353S320-L322 PolarHBondContact O-N 3.4Å; L322-I324 PolarHBondContact O-N 2.91Å; L322-T353 HydrophobicContact CD2-CG2 3.22Å
323T52.2Low40.1Very low87 Ų87112 Ų11253%0.53467%0.667SS.*  trans-72.9105.5165.5480000109.1T321T321-T323 PolarHBondContact O-N 2.9Å
324I52.1Low40.3Very low61 Ų61111.9 Ų111.931%0.31366%0.66SS.*EExtended strand (participates in β ladder)trans-94.9115.5176.2-57.9172.3000108.5L322 I326 I345L322-I324 PolarHBondContact O-N 2.91Å; I324-I326 HydrophobicContact CG2-CG1 4.18Å; I324-I345 HydrophobicContact CG2-CG2 3.93Å
325E55.9Low40.4Very low138 Ų138114.2 Ų114.265%0.64567%0.665SS**EExtended strand (participates in β ladder)trans-101.7112.2172.9-74.2-175.4-174.500109.9Y346E325-Y346 PolarHBondContact N-O 2.91Å; E325-Y346 PolarHBondContact O-N 3.09Å; E325-Y346 VanDerWaalsContact O-N 3.13Å
326I53.4Low40.8Very low116 Ų116116 Ų11660%0.59567%0.667SS**EExtended strand (participates in β ladder)trans-92.5104.5174.4-57.6175.2000108.2I324 L328I324-I326 HydrophobicContact CG2-CG1 4.18Å; I326-L328 PolarHBondContact O-N 2.71Å
327Q49Very low41.6Very low123 Ų123111.5 Ų111.558%0.57566%0.661SS**EExtended strand (participates in β ladder)trans-94102.2176.9-155.9171.216.300110.1P329 Y346Q327-P329 VanDerWaalsContact O-CD 3.29Å; Q327-P329 WeakPolarHBondContact O-CD 3.28Å; Q327-Y346 HydrophobicContact CB-CD2 4.11Å; Q327-Y346 HydrophobicContact CB-CE2 3.91Å
328L45.9Very low42Very low128 Ų128117.8 Ų117.867%0.6767%0.666SS**  trans-77.8116.9166.7-75139.6000108.3I326 C330I326-L328 PolarHBondContact O-N 2.71Å; L328-C330 PolarHBondContact O-N 2.96Å
329P41.7Very low42.7Very low79 Ų79113.3 Ų113.351%0.51365%0.653SS.*  trans-68.195.6176.124.1-30000110.2Q327 N331Q327-P329 VanDerWaalsContact O-CD 3.29Å; Q327-P329 WeakPolarHBondContact O-CD 3.28Å; P329-N331 PolarHBondContact O-N 3.25Å; P329-N331 VanDerWaalsContact O-N 3.11Å
330C34.9Very low43.1Very low100 Ų100113.7 Ų113.768%0.67664%0.642SS**  trans-70.598.9166.7-81.50000108.7L328 S332L328-C330 PolarHBondContact O-N 2.96Å; C330-S332 PolarHBondContact O-N 2.99Å
331N41Very low43.8Very low107 Ų107116.4 Ų116.457%0.57264%0.644SS**  trans-77.691.5178.3-158.3-1.5000110.7P329 K333 F341P329-N331 PolarHBondContact O-N 3.25Å; P329-N331 VanDerWaalsContact O-N 3.11Å; N331-K333 PolarHBondContact OD1-N 3.4Å; N331-K333 PolarHBondContact OD1-O 3.11Å; N331-F341 HydrophobicContact CB-CE1 3.93Å; N331-F341 HydrophobicContact CB-CZ 4.39Å
332S43Very low44.8Very low112 Ų112116.4 Ų116.478%0.78364%0.635SS**  trans-102.741.3163.874.20000110.9C330C330-S332 PolarHBondContact O-N 2.99Å
333K38Very low46.3Very low175 Ų175117.1 Ų117.176%0.76164%0.642SS**  trans-14895.4167.1-103161.4-167.8-177.30110.1N331 N335N331-K333 PolarHBondContact OD1-N 3.4Å; N331-K333 PolarHBondContact OD1-O 3.11Å; K333-N335 PolarHBondContact O-N 3.22Å
334V39.2Very low47.6Very low131 Ų131117.3 Ų117.379%0.79464%0.635SS**  trans-46133158.6-172.80000107.9
335N32.7Very low49Very low143 Ų143115.9 Ų115.977%0.76563%0.628SS**  trans104.482.8175.7-50.7-27000115.9K333K333-N335 PolarHBondContact O-N 3.22Å
336S39.2Very low50.1Low104 Ų104111.4 Ų111.473%0.72761%0.605SS**  166.8128.7106.5-79.60000110.6
337S41.9Very low51.5Low109 Ų109106 Ų10676%0.76258%0.578SS**SBendtrans36.892.715359.40000117.6A339S337-A339 PolarHBondContact O-N 3.38Å
338R38.4Very low53Low256 Ų256105.7 Ų105.797%0.96657%0.574SS**  trans38.945145.5-156.3-178.5-173.5179.41.1115.4S340R338-S340 PolarHBondContact O-N 3.36Å
339A43.3Very low54.7Low75 Ų75102.9 Ų102.962%0.6256%0.555SS**  trans-70117.6161.200000105.8S337 F341S337-A339 PolarHBondContact O-N 3.38Å; A339-F341 PolarHBondContact O-N 3.04Å
340S43.7Very low56.6Low91 Ų91101.3 Ų101.364%0.63655%0.546SS*.  trans-55.1116.6170.935.80000107.7R338 E342R338-S340 PolarHBondContact O-N 3.36Å; S340-E342 VanDerWaalsContact C-N 3.3Å; S340-E342 PolarHBondContact O-N 3.45Å
341F52.3Low58.7Low147 Ų147102 Ų10265%0.64555%0.547SS*.  trans-69.389173.7-74.3-98000108N331 A339N331-F341 HydrophobicContact CB-CE1 3.93Å; N331-F341 HydrophobicContact CB-CZ 4.39Å; A339-F341 PolarHBondContact O-N 3.04Å
342E60.9Low60.7Low122 Ų122102.5 Ų102.557%0.5755%0.546SS*.  trans-115.6116.5174.6-73.6177.9-168.300109.3S340S340-E342 VanDerWaalsContact C-N 3.3Å; S340-E342 PolarHBondContact O-N 3.45Å
343P74.5Confident62.6Low55 Ų5597.1 Ų97.136%0.35751%0.509SS..  trans-66.1134.5178.327.1-32.4000109.9R422P343-R422 WeakPolarHBondContact O-CD 3.3Å
344K78.7Confident64.8Low91 Ų9194.1 Ų94.140%0.39650%0.495SS..EExtended strand (participates in β ladder)trans-110.8148.5177.6-70.2-177.6165.6-1660111.1Y346 R422 E424K344-Y346 HydrophobicContact CB-CE2 4.35Å; K344-R422 CarbonylContact C-O 3.39Å; K344-R422 WeakPolarHBondContact CA-O 3.25Å; K344-E424 VanDerWaalsContact CD-OE2 3.32Å; K344-E424 WeakPolarHBondContact CD-OE2 3.3Å; K344-E424 IonicContact NZ-OE2 2.74Å; K344-E424 PolarHBondContact NZ-OE2 2.88Å
345I80.7Confident67.1Low31 Ų3194.8 Ų94.816%0.15949%0.49CS..EExtended strand (participates in β ladder)trans-112.1123.7177.7-59.2173.7000107.8V267 I324 I347 R422 I423 E424V267-I345 HydrophobicContact CG1-CD1 3.96Å; V267-I345 HydrophobicContact CG2-CD1 4.08Å; V267-I345 HydrophobicContact CG2-CG2 4.24Å; I324-I345 HydrophobicContact CG2-CG2 3.93Å; I345-I347 HydrophobicContact CG2-CG1 4.44Å; I345-R422 PolarHBondContact N-O 2.88Å; I345-I423 WeakPolarHBondContact O-CA 3.37Å; I345-E424 PolarHBondContact O-N 3.3Å
346Y80.6Confident69.8Low44 Ų4489.8 Ų89.817%0.17346%0.463CS..EExtended strand (participates in β ladder)trans-100125.7-179-65.5-72.9000111.4E325 Q327 K344 E424 I426E325-Y346 PolarHBondContact N-O 2.91Å; E325-Y346 PolarHBondContact O-N 3.09Å; E325-Y346 VanDerWaalsContact O-N 3.13Å; Q327-Y346 HydrophobicContact CB-CD2 4.11Å; Q327-Y346 HydrophobicContact CB-CE2 3.91Å; K344-Y346 HydrophobicContact CB-CE2 4.35Å; Y346-E424 WeakPolarHBondContact CA-O 3.38Å; Y346-E424 HydrophobicContact CD1-CB 3.76Å; Y346-E424 HydrophobicContact CD1-CG 4.08Å; Y346-E424 HydrophobicContact CE1-CB 3.73Å; Y346-E424 HydrophobicContact CE1-CG 3.82Å; Y346-E424 WeakPolarHBondContact CE1-OE2 3.43Å; Y346-I426 HydrophobicContact CD1-CD1 3.29Å; Y346-I426 HydrophobicContact CD1-CG1 3.68Å; Y346-I426 HydrophobicContact CE1-CD1 3.93Å; Y346-I426 HydrophobicContact CE1-CG1 4.35Å; Y346-I426 HydrophobicContact CG-CD1 3.69Å; Y346-I426 HydrophobicContact CG-CG1 4.4Å
347I81.9Confident72.1Confident2 Ų286.8 Ų86.81%0.0144%0.437CS..EExtended strand (participates in β ladder)trans-117.1126178.1-57.6-178.4000109L266 I345 R349 T353 I423 E424 F425 I426L266-I347 HydrophobicContact CB-CD1 3.84Å; L266-I347 HydrophobicContact CD2-CD1 3.94Å; L266-I347 HydrophobicContact CG-CD1 4.39Å; I345-I347 HydrophobicContact CG2-CG1 4.44Å; I347-R349 PolarHBondContact O-N 3.4Å; I347-T353 HydrophobicContact CG2-CG2 3.99Å; I347-I423 HydrophobicContact CD1-CG2 3.57Å; I347-I423 HydrophobicContact CG1-CG2 4.05Å; I347-E424 PolarHBondContact N-O 3.35Å; I347-E424 VanDerWaalsContact N-O 3.09Å; I347-F425 HydrophobicContact CB-CD1 3.91Å; I347-F425 HydrophobicContact CB-CE1 4.03Å; I347-F425 HydrophobicContact CD1-CE1 4.24Å; I347-F425 HydrophobicContact CG2-CD1 4.04Å; I347-F425 HydrophobicContact CG2-CE1 3.97Å; I347-F425 WeakPolarHBondContact O-CA 3.46Å; I347-I426 PolarHBondContact O-N 3.21Å
348K80.6Confident74.4Confident117 Ų11787.9 Ų87.951%0.50943%0.43SS..EExtended strand (participates in β ladder)trans-71.6126.3177.9-172.9-178.6-175.9-178.60110.5S350 T353 S428K348-S350 PolarHBondContact O-N 2.86Å; K348-T353 PolarHBondContact O-OG1 3.41Å; K348-S428 WeakPolarHBondContact CE-OG 3.32Å
349R81.3Confident76.9Confident70 Ų7077.8 Ų77.826%0.26440%0.399SS..  trans-68.4112178.2-74.9175.9175.7122.210.7112I347 T353 E357 F425 I426 D427I347-R349 PolarHBondContact O-N 3.4Å; R349-T353 WeakPolarHBondContact CA-OG1 3.49Å; R349-E357 IonicContact CZ-OE1 3.75Å; R349-E357 IonicContact NE-OE1 3.83Å; R349-E357 IonicContact NE-OE2 3.76Å; R349-E357 PolarHBondContact NE-OE2 3.27Å; R349-E357 IonicContact NH2-OE1 2.73Å; R349-E357 PolarHBondContact NH2-OE1 3.38Å; R349-F425 HydrophobicContact CG-CB 3.87Å; R349-F425 PolarHBondContact NH1-O 3.31Å; R349-F425 VanDerWaalsContact NH1-O 3.09Å; R349-F425 PolarHBondContact NH2-O 2.95Å; R349-F425 VanDerWaalsContact NH2-O 3.09Å; R349-I426 PolarHBondContact N-O 3Å; R349-D427 WeakPolarHBondContact CD-OD1 3.27Å; R349-D427 IonicContact CZ-OD2 3.13Å; R349-D427 IonicContact NH1-OD1 3.91Å; R349-D427 IonicContact NH1-OD2 3.42Å; R349-D427 PolarHBondContact NH1-OD2 3.49Å
350S80.8Confident79.2Confident45 Ų4574.2 Ų74.232%0.31537%0.369SS..  trans-107.1177.9161.276.80000110.7K348 E352 T353 K354K348-S350 PolarHBondContact O-N 2.86Å; S350-E352 PolarHBondContact OG-N 2.99Å; S350-T353 PolarHBondContact N-OG1 3.08Å; S350-T353 PolarHBondContact O-OG1 2.98Å; S350-T353 VanDerWaalsContact O-OG1 3.13Å; S350-T353 WeakPolarHBondContact OG-CG2 3.46Å; S350-T353 PolarHBondContact OG-N 2.86Å; S350-T353 VanDerWaalsContact OG-N 3.12Å; S350-T353 PolarHBondContact OG-OG1 3.15Å; S350-K354 VanDerWaalsContact O-CG 3.31Å; S350-K354 WeakPolarHBondContact O-CG 3.3Å; S350-K354 PolarHBondContact O-N 3.11Å; S350-K354 VanDerWaalsContact O-N 3.16Å
351T80.1Confident81.4Confident114 Ų11470.8 Ų70.870%0.69935%0.345SS*.Hα-helixtrans-61.3-43.8172.346.20000111.6K354 E355T351-K354 PolarHBondContact O-N 2.9Å; T351-E355 PolarHBondContact O-N 3.24Å
352E81.7Confident83.3Confident118 Ų11867.2 Ų67.255%0.55134%0.335SS*.Hα-helixtrans-66.2-42.9178.5-65.7170.9-177.500111.9S350 K354 E355 L356S350-E352 PolarHBondContact OG-N 2.99Å; E352-K354 VanDerWaalsContact C-N 3.27Å; E352-K354 PolarHBondContact O-N 2.7Å; E352-E355 PolarHBondContact O-N 2.83Å; E352-L356 PolarHBondContact O-N 2.95Å
353T83.5Confident84.9Confident0 Ų064.2 Ų64.20%032%0.32CS..Hα-helixtrans-69.5-25.7178.763.70000112.6L322 I347 K348 R349 S350 L356 E357L322-T353 HydrophobicContact CD2-CG2 3.22Å; I347-T353 HydrophobicContact CG2-CG2 3.99Å; K348-T353 PolarHBondContact O-OG1 3.41Å; R349-T353 WeakPolarHBondContact CA-OG1 3.49Å; S350-T353 PolarHBondContact N-OG1 3.08Å; S350-T353 PolarHBondContact O-OG1 2.98Å; S350-T353 VanDerWaalsContact O-OG1 3.13Å; S350-T353 WeakPolarHBondContact OG-CG2 3.46Å; S350-T353 PolarHBondContact OG-N 2.86Å; S350-T353 VanDerWaalsContact OG-N 3.12Å; S350-T353 PolarHBondContact OG-OG1 3.15Å; T353-L356 PolarHBondContact O-N 3.12Å; T353-E357 WeakPolarHBondContact O-CB 3.47Å; T353-E357 PolarHBondContact O-N 3.45Å
354K85.3Confident85.7Confident112 Ų11261.8 Ų61.849%0.48730%0.304SS..Hα-helixtrans-67.8-38.9176.6-81.5177.8-180-175.20111.6S350 T351 E352 E357 H358S350-K354 VanDerWaalsContact O-CG 3.31Å; S350-K354 WeakPolarHBondContact O-CG 3.3Å; S350-K354 PolarHBondContact O-N 3.11Å; S350-K354 VanDerWaalsContact O-N 3.16Å; T351-K354 PolarHBondContact O-N 2.9Å; E352-K354 VanDerWaalsContact C-N 3.27Å; E352-K354 PolarHBondContact O-N 2.7Å; K354-E357 PolarHBondContact O-N 3.26Å; K354-H358 WeakPolarHBondContact O-CB 3.48Å; K354-H358 PolarHBondContact O-N 3.05Å
355E86.8Confident86.3Confident144 Ų14464.7 Ų64.767%0.67331%0.313SS*.Hα-helixtrans-67.6-41175-67.1179.3-179.300111.3T351 E352 S359T351-E355 PolarHBondContact O-N 3.24Å; E352-E355 PolarHBondContact O-N 2.83Å; E355-S359 WeakPolarHBondContact O-CB 3.4Å; E355-S359 PolarHBondContact O-N 3.1Å; E355-S359 PolarHBondContact O-OG 3.06Å
356L88.8Confident86.9Confident38 Ų3866 Ų6620%0.19932%0.32CS..Hα-helixtrans-66.8-41.3173.6-66.6174.4000112.4I262 I265 L266 E352 T353 S359 A360I262-L356 HydrophobicContact CG2-CB 4.43Å; I262-L356 HydrophobicContact CG2-CD2 4.23Å; I265-L356 HydrophobicContact CG2-CD1 3.71Å; L266-L356 HydrophobicContact CD2-CB 3.94Å; L266-L356 HydrophobicContact CD2-CD1 4.04Å; L266-L356 HydrophobicContact CG-CB 4.39Å; E352-L356 PolarHBondContact O-N 2.95Å; T353-L356 PolarHBondContact O-N 3.12Å; L356-S359 PolarHBondContact O-N 2.89Å; L356-A360 WeakPolarHBondContact O-CB 3.39Å; L356-A360 PolarHBondContact O-N 3.34Å
357E89.1Confident87.5Confident41 Ų4163.9 Ų63.919%0.19231%0.311CS..Hα-helixtrans-57.9-50174.6175.5175.3-169.600109.9R349 T353 K354 T361 F425R349-E357 IonicContact CZ-OE1 3.75Å; R349-E357 IonicContact NE-OE1 3.83Å; R349-E357 IonicContact NE-OE2 3.76Å; R349-E357 PolarHBondContact NE-OE2 3.27Å; R349-E357 IonicContact NH2-OE1 2.73Å; R349-E357 PolarHBondContact NH2-OE1 3.38Å; T353-E357 WeakPolarHBondContact O-CB 3.47Å; T353-E357 PolarHBondContact O-N 3.45Å; K354-E357 PolarHBondContact O-N 3.26Å; E357-T361 WeakPolarHBondContact O-CB 3.42Å; E357-T361 PolarHBondContact O-N 3.26Å; E357-T361 PolarHBondContact O-OG1 3.45Å; E357-F425 HydrophobicContact CB-CD1 4.23Å; E357-F425 HydrophobicContact CB-CD2 4.21Å; E357-F425 HydrophobicContact CB-CE1 3.83Å; E357-F425 HydrophobicContact CB-CE2 3.83Å; E357-F425 HydrophobicContact CB-CG 4.41Å; E357-F425 HydrophobicContact CB-CZ 3.62Å; E357-F425 VanDerWaalsContact CD-CD2 3.43Å; E357-F425 HydrophobicContact CG-CD1 4.39Å; E357-F425 HydrophobicContact CG-CD2 3.62Å; E357-F425 HydrophobicContact CG-CE1 4.32Å; E357-F425 HydrophobicContact CG-CE2 3.55Å; E357-F425 HydrophobicContact CG-CG 4.06Å; E357-F425 HydrophobicContact CG-CZ 3.91Å; E357-F425 WeakPolarHBondContact OE1-CD2 3.39Å
358H88.4Confident87.9Confident133 Ų13365.5 Ų65.562%0.61633%0.325SS*.Hα-helixtrans-61.4-48.3178.7-171.570.7000111.8K354 T361 V362K354-H358 WeakPolarHBondContact O-CB 3.48Å; K354-H358 PolarHBondContact O-N 3.05Å; H358-T361 WeakPolarHBondContact O-CB 3.4Å; H358-T361 PolarHBondContact O-N 3.19Å; H358-V362 WeakPolarHBondContact O-CG2 3.43Å; H358-V362 PolarHBondContact O-N 3.03Å
359S91.4Very high88.4Confident44 Ų4466.8 Ų66.831%0.30833%0.333SS..Hα-helixtrans-62.7-47.5180-56.90000111.9E355 L356 T361 V362 F363E355-S359 WeakPolarHBondContact O-CB 3.4Å; E355-S359 PolarHBondContact O-N 3.1Å; E355-S359 PolarHBondContact O-OG 3.06Å; L356-S359 PolarHBondContact O-N 2.89Å; S359-T361 VanDerWaalsContact C-N 3.31Å; S359-T361 PolarHBondContact O-N 3.26Å; S359-V362 PolarHBondContact O-N 2.81Å; S359-F363 WeakPolarHBondContact O-CD2 3.4Å; S359-F363 PolarHBondContact O-N 2.88Å
360A91.4Very high88.9Confident0 Ų068.6 Ų68.60%034%0.343CS..Hα-helixtrans-58.1-44175.900000111.5I262 L266 L356 V362 F363 A364 Y420I262-A360 HydrophobicContact CG2-CB 3.74Å; L266-A360 HydrophobicContact CD1-CB 4.29Å; L356-A360 WeakPolarHBondContact O-CB 3.39Å; L356-A360 PolarHBondContact O-N 3.34Å; A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 3.46Å; A360-F363 PolarHBondContact O-N 3.09Å; A360-A364 WeakPolarHBondContact O-CB 3.28Å; A360-A364 PolarHBondContact O-N 2.84Å; A360-Y420 HydrophobicContact CB-CD2 3.96Å; A360-Y420 HydrophobicContact CB-CE2 3.68Å
361T91.1Very high89.5Confident19 Ų1967 Ų6712%0.11733%0.33CS..Hα-helixtrans-60.3-44177.9-54.10000111.6E357 H358 S359 R365 Y420E357-T361 WeakPolarHBondContact O-CB 3.42Å; E357-T361 PolarHBondContact O-N 3.26Å; E357-T361 PolarHBondContact O-OG1 3.45Å; H358-T361 WeakPolarHBondContact O-CB 3.4Å; H358-T361 PolarHBondContact O-N 3.19Å; S359-T361 VanDerWaalsContact C-N 3.31Å; S359-T361 PolarHBondContact O-N 3.26Å; T361-R365 HydrophobicContact CG2-CG 4.49Å; T361-R365 WeakPolarHBondContact O-CB 3.31Å; T361-R365 VanDerWaalsContact O-CG 3.27Å; T361-R365 WeakPolarHBondContact O-CG 3.32Å; T361-R365 PolarHBondContact O-N 3.45Å; T361-Y420 VanDerWaalsContact CA-OH 3.25Å; T361-Y420 WeakPolarHBondContact CA-OH 3.25Å; T361-Y420 VanDerWaalsContact CB-OH 3.28Å; T361-Y420 WeakPolarHBondContact CB-OH 3.34Å; T361-Y420 WeakPolarHBondContact CG2-OH 3.33Å; T361-Y420 PolarHBondContact OG1-OH 3.3Å
362V92.3Very high90.1Very high72 Ų7265.2 Ų65.244%0.43631%0.311SS..Hα-helixtrans-64.4-50.3179.6171.60000110.8H358 S359 A360 R365 L366H358-V362 WeakPolarHBondContact O-CG2 3.43Å; H358-V362 PolarHBondContact O-N 3.03Å; S359-V362 PolarHBondContact O-N 2.81Å; A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 3.46Å; V362-R365 PolarHBondContact O-N 2.85Å; V362-L366 VanDerWaalsContact O-CB 3.28Å; V362-L366 WeakPolarHBondContact O-CB 3.31Å; V362-L366 PolarHBondContact O-N 3.19Å
363F93.8Very high90.6Very high58 Ų5862.8 Ų62.825%0.25431%0.306SS..Hα-helixtrans-66.7-38.6180-67-56.4000112.7N255 L259 I262 S359 A360 L366 A367N255-F363 PolarHBondContact ND2-O 2.99Å; N255-F363 WeakPolarHBondContact OD1-CA 3.31Å; N255-F363 VanDerWaalsContact OD1-CB 3.29Å; N255-F363 WeakPolarHBondContact OD1-CB 3.4Å; N255-F363 WeakPolarHBondContact OD1-CD1 3.33Å; N255-F363 PolarHBondContact OD1-O 3.39Å; L259-F363 HydrophobicContact CB-CB 4.06Å; L259-F363 HydrophobicContact CD1-CB 4.13Å; I262-F363 HydrophobicContact CD1-CD2 3.47Å; I262-F363 VanDerWaalsContact CD1-CD2 3.47Å; I262-F363 HydrophobicContact CD1-CE2 3.51Å; S359-F363 WeakPolarHBondContact O-CD2 3.4Å; S359-F363 PolarHBondContact O-N 2.88Å; A360-F363 PolarHBondContact O-N 3.09Å; F363-L366 PolarHBondContact O-N 3.49Å; F363-A367 WeakPolarHBondContact O-CB 3.47Å; F363-A367 PolarHBondContact O-N 3.01Å
364A91.4Very high91Very high4 Ų468 Ų683%0.03333%0.328CS..Hα-helixtrans-64.8-45176.100000112.1L259 A360 A367 A368 T416 Y420L259-A364 HydrophobicContact CD1-CB 4.18Å; L259-A364 HydrophobicContact CD2-CB 4.36Å; A360-A364 WeakPolarHBondContact O-CB 3.28Å; A360-A364 PolarHBondContact O-N 2.84Å; A364-A367 PolarHBondContact O-N 2.96Å; A364-A368 WeakPolarHBondContact O-CB 3.43Å; A364-A368 PolarHBondContact O-N 3.4Å; A364-T416 HydrophobicContact CB-CG2 4.31Å; A364-Y420 HydrophobicContact CB-CD1 3.55Å; A364-Y420 HydrophobicContact CB-CD2 4.22Å; A364-Y420 HydrophobicContact CB-CE1 3.78Å; A364-Y420 HydrophobicContact CB-CE2 4.43Å; A364-Y420 HydrophobicContact CB-CG 3.79Å
365R91.8Very high91.4Very high153 Ų15362.7 Ų62.758%0.57731%0.305SS*.Hα-helixtrans-63-44.7174.2-75.4179.8-173.7168.34111.5T361 V362 A367 A368 E369T361-R365 HydrophobicContact CG2-CG 4.49Å; T361-R365 WeakPolarHBondContact O-CB 3.31Å; T361-R365 VanDerWaalsContact O-CG 3.27Å; T361-R365 WeakPolarHBondContact O-CG 3.32Å; T361-R365 PolarHBondContact O-N 3.45Å; V362-R365 PolarHBondContact O-N 2.85Å; R365-A367 VanDerWaalsContact C-N 3.3Å; R365-A367 PolarHBondContact O-N 2.9Å; R365-A368 PolarHBondContact O-N 3.33Å; R365-E369 VanDerWaalsContact O-CB 3.32Å; R365-E369 WeakPolarHBondContact O-CB 3.28Å; R365-E369 PolarHBondContact O-N 3.34Å
366L93.5Very high91.7Very high57 Ų5760 Ų6030%0.29829%0.294SS..Iπ-helixtrans-57.8-44.8176.6-175.166.1000111.2N255 V362 F363 K370 H371N255-L366 HydrophobicContact CB-CD2 4.34Å; V362-L366 VanDerWaalsContact O-CB 3.28Å; V362-L366 WeakPolarHBondContact O-CB 3.31Å; V362-L366 PolarHBondContact O-N 3.19Å; F363-L366 PolarHBondContact O-N 3.49Å; L366-K370 HydrophobicContact CD1-CB 4.06Å; L366-K370 HydrophobicContact CD1-CD 3.46Å; L366-K370 VanDerWaalsContact CD1-CD 3.46Å; L366-K370 HydrophobicContact CD1-CG 4.42Å; L366-K370 WeakPolarHBondContact O-CB 3.33Å; L366-K370 PolarHBondContact O-N 3.4Å; L366-H371 PolarHBondContact O-CD2 3.03Å; L366-H371 VanDerWaalsContact O-CD2 3.22Å; L366-H371 PolarHBondContact O-N 3.11Å; L366-H371 VanDerWaalsContact O-N 3.1Å
367A92.3Very high91.9Very high0 Ų062.5 Ų62.50%031%0.307CS..Iπ-helixtrans-63.1-50.3176.600000112.4N255 L256 F363 A364 R365 R372 I412 T416N255-A367 PolarHBondContact ND2-N 3.15Å; L256-A367 HydrophobicContact CD2-CB 4.43Å; F363-A367 WeakPolarHBondContact O-CB 3.47Å; F363-A367 PolarHBondContact O-N 3.01Å; A364-A367 PolarHBondContact O-N 2.96Å; R365-A367 VanDerWaalsContact C-N 3.3Å; R365-A367 PolarHBondContact O-N 2.9Å; A367-R372 WeakPolarHBondContact O-CB 3.38Å; A367-R372 PolarHBondContact O-N 3Å; A367-I412 HydrophobicContact CB-CG1 4.37Å; A367-I412 HydrophobicContact CB-CG2 4.21Å; A367-T416 HydrophobicContact CB-CG2 4.06Å
368A91.1Very high92.1Very high37 Ų3762 Ų6231%0.30630%0.303SS..Iπ-helixtrans-75.4-41.7-173.700000113.9A364 R365 R372 T416A364-A368 WeakPolarHBondContact O-CB 3.43Å; A364-A368 PolarHBondContact O-N 3.4Å; R365-A368 PolarHBondContact O-N 3.33Å; A368-R372 WeakPolarHBondContact O-CB 3.36Å; A368-T416 HydrophobicContact CB-CG2 4.28Å
369E91.6Very high92.3Very high143 Ų14356.5 Ų56.567%0.66828%0.279SS*.Iπ-helixtrans-95-33.8-171.1-61.9179.8-17900112.9R365 P373R365-E369 VanDerWaalsContact O-CB 3.32Å; R365-E369 WeakPolarHBondContact O-CB 3.28Å; R365-E369 PolarHBondContact O-N 3.34Å; E369-P373 WeakPolarHBondContact O-CD 3.45Å; E369-P373 WeakPolarHBondContact O-CG 3.46Å
370K91.5Very high92.4Very high109 Ų10960.4 Ų60.447%0.47429%0.292SS..Iπ-helixtrans-100.4-53.6-176.7-167.8-172.5-177.1-176.60112.3L366 K374L366-K370 HydrophobicContact CD1-CB 4.06Å; L366-K370 HydrophobicContact CD1-CD 3.46Å; L366-K370 VanDerWaalsContact CD1-CD 3.46Å; L366-K370 HydrophobicContact CD1-CG 4.42Å; L366-K370 WeakPolarHBondContact O-CB 3.33Å; L366-K370 PolarHBondContact O-N 3.4Å; K370-K374 WeakPolarHBondContact O-CG 3.3Å
371H92.9Very high92.3Very high11 Ų1162.4 Ų62.45%0.05131%0.305CS..Iπ-helixtrans-75.5-50.3-174-66-68.9000112V252 N255 L366 K374 L375 I412V252-H371 HydrophobicContact CG2-CB 4.34Å; V252-H371 VanDerWaalsContact CG2-ND1 3.29Å; V252-H371 WeakPolarHBondContact CG2-ND1 3.47Å; N255-H371 PolarHBondContact ND2-CD2 3.36Å; L366-H371 PolarHBondContact O-CD2 3.03Å; L366-H371 VanDerWaalsContact O-CD2 3.22Å; L366-H371 PolarHBondContact O-N 3.11Å; L366-H371 VanDerWaalsContact O-N 3.1Å; H371-K374 PolarHBondContact O-N 3.09Å; H371-L375 VanDerWaalsContact O-CG 3.3Å; H371-L375 WeakPolarHBondContact O-CG 3.1Å; H371-L375 PolarHBondContact O-N 2.82Å; H371-I412 HydrophobicContact CB-CD1 4.23Å
372R91.9Very high92.1Very high76 Ų7661.5 Ų61.529%0.28730%0.299SS..Hα-helixtrans-50.1-54.5-177.6-172.2-176.4-179.2127.89.8114.3A367 A368 K374 L375 M376 I412 Q413A367-R372 WeakPolarHBondContact O-CB 3.38Å; A367-R372 PolarHBondContact O-N 3Å; A368-R372 WeakPolarHBondContact O-CB 3.36Å; R372-K374 VanDerWaalsContact C-N 3.33Å; R372-K374 PolarHBondContact O-N 3.29Å; R372-L375 PolarHBondContact O-N 2.99Å; R372-M376 VanDerWaalsContact O-CG 3.29Å; R372-M376 WeakPolarHBondContact O-CG 3.32Å; R372-M376 PolarHBondContact O-N 2.8Å; R372-I412 HydrophobicContact CB-CG2 4.24Å; R372-Q413 VanDerWaalsContact NH2-OE1 3.11Å
373P93.3Very high91.9Very high68 Ų6862.8 Ų62.844%0.44230%0.3SS..Hα-helixtrans-65.6-35.2-17824.3-33.4000112.9E369 M376 N377E369-P373 WeakPolarHBondContact O-CD 3.45Å; E369-P373 WeakPolarHBondContact O-CG 3.46Å; P373-M376 PolarHBondContact O-N 3.24Å; P373-N377 PolarHBondContact O-N 2.73Å
374K92.5Very high91.5Very high109 Ų10964.2 Ų64.247%0.47432%0.317SS..Hα-helixtrans-63.1-48.2174.9-70.6-176.3177-159.20111.5K370 H371 R372 M376 N377 Y378K370-K374 WeakPolarHBondContact O-CG 3.3Å; H371-K374 PolarHBondContact O-N 3.09Å; R372-K374 VanDerWaalsContact C-N 3.33Å; R372-K374 PolarHBondContact O-N 3.29Å; K374-M376 VanDerWaalsContact C-N 3.3Å; K374-M376 PolarHBondContact O-N 2.83Å; K374-N377 WeakPolarHBondContact O-CB 3.48Å; K374-N377 PolarHBondContact O-N 2.98Å; K374-Y378 HydrophobicContact CB-CE2 4.34Å; K374-Y378 WeakPolarHBondContact O-CD2 3.31Å; K374-Y378 PolarHBondContact O-N 3.3Å
375L93.2Very high91Very high1 Ų164.6 Ų64.61%0.00532%0.319CS..Hα-helixtrans-62.8-37.5178.3-63.2176.3000112.1V252 H371 R372 Y378 L379 L405 W408 I409 I412V252-L375 HydrophobicContact CG1-CD1 4.33Å; V252-L375 HydrophobicContact CG2-CD2 4.47Å; H371-L375 VanDerWaalsContact O-CG 3.3Å; H371-L375 WeakPolarHBondContact O-CG 3.1Å; H371-L375 PolarHBondContact O-N 2.82Å; R372-L375 PolarHBondContact O-N 2.99Å; L375-Y378 HydrophobicContact CD2-CD2 4.38Å; L375-Y378 PolarHBondContact O-N 3.47Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 PolarHBondContact O-N 3.27Å; L375-L405 HydrophobicContact CB-CD2 4.37Å; L375-L405 HydrophobicContact CD2-CD2 3.57Å; L375-W408 HydrophobicContact CD1-CB 3.99Å; L375-W408 HydrophobicContact CD1-CE3 4.46Å; L375-W408 HydrophobicContact CD2-CE3 3.95Å; L375-W408 HydrophobicContact CD2-CZ3 4.34Å; L375-I409 HydrophobicContact CB-CD1 4.2Å; L375-I409 HydrophobicContact CB-CG1 3.93Å; L375-I409 HydrophobicContact CD1-CG1 4.47Å; L375-I412 HydrophobicContact CD1-CD1 3.59Å
376M92.6Very high90.3Very high87 Ų8763 Ų6343%0.42932%0.318SS..Hα-helixtrans-64-42.1174-71.3-64.3-59.600112.1R372 P373 K374 L379 E380 I409R372-M376 VanDerWaalsContact O-CG 3.29Å; R372-M376 WeakPolarHBondContact O-CG 3.32Å; R372-M376 PolarHBondContact O-N 2.8Å; P373-M376 PolarHBondContact O-N 3.24Å; K374-M376 VanDerWaalsContact C-N 3.3Å; K374-M376 PolarHBondContact O-N 2.83Å; M376-L379 PolarHBondContact O-N 3.42Å; M376-E380 PolarHBondContact O-N 2.89Å; M376-I409 HydrophobicContact CG-CD1 4.4Å; M376-I409 HydrophobicContact SD-CD1 3.65Å; M376-I409 HydrophobicContact SD-CG1 4.26Å; M376-I409 HydrophobicContact SD-CG2 4.03Å
377N93.6Very high89.2Confident90 Ų9064.8 Ų64.848%0.48134%0.335SS..Hα-helixtrans-63.2-41.7176-176.7-74.9000111.8P373 K374 E380 T381P373-N377 PolarHBondContact O-N 2.73Å; K374-N377 WeakPolarHBondContact O-CB 3.48Å; K374-N377 PolarHBondContact O-N 2.98Å; N377-E380 PolarHBondContact O-N 3.1Å; N377-T381 WeakPolarHBondContact O-CB 3.41Å; N377-T381 PolarHBondContact O-N 3.43Å; N377-T381 PolarHBondContact O-OG1 2.74Å
378Y93.2Very high88Confident30 Ų3067.1 Ų67.112%0.11835%0.347CS..Hα-helixtrans-62.4-44.4173.9-62.8-32.5000112E244 I245 K374 L375 E380 T381 L382E244-Y378 HydrophobicContact CB-CE1 4.23Å; E244-Y378 WeakPolarHBondContact OE2-CE1 3.5Å; E244-Y378 PolarHBondContact OE2-OH 3.41Å; I245-Y378 HydrophobicContact CG1-CD2 3.92Å; I245-Y378 HydrophobicContact CG1-CG 4.08Å; K374-Y378 HydrophobicContact CB-CE2 4.34Å; K374-Y378 WeakPolarHBondContact O-CD2 3.31Å; K374-Y378 PolarHBondContact O-N 3.3Å; L375-Y378 HydrophobicContact CD2-CD2 4.38Å; L375-Y378 PolarHBondContact O-N 3.47Å; Y378-E380 PolarHBondContact O-N 3.44Å; Y378-T381 PolarHBondContact O-N 2.97Å; Y378-L382 WeakPolarHBondContact O-CG 3.39Å; Y378-L382 PolarHBondContact O-N 3.18Å
379L92.4Very high87Confident18 Ų1871.9 Ų71.99%0.09437%0.367CS..Hα-helixtrans-59.5-48.2176.6-177.264.6000111.3L375 M376 T381 L382 E383 I402 L405 K406 I409L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 PolarHBondContact O-N 3.27Å; M376-L379 PolarHBondContact O-N 3.42Å; L379-T381 VanDerWaalsContact C-N 3.31Å; L379-T381 PolarHBondContact O-N 3.39Å; L379-L382 PolarHBondContact O-N 2.69Å; L379-E383 HydrophobicContact CD1-CG 4.26Å; L379-E383 HydrophobicContact CG-CG 4.46Å; L379-E383 WeakPolarHBondContact O-CB 3.3Å; L379-E383 VanDerWaalsContact O-CG 3.31Å; L379-E383 WeakPolarHBondContact O-CG 3.32Å; L379-E383 PolarHBondContact O-N 3.34Å; L379-I402 HydrophobicContact CD1-CG2 3.96Å; L379-L405 HydrophobicContact CB-CD1 4.29Å; L379-L405 HydrophobicContact CD1-CB 4.46Å; L379-K406 HydrophobicContact CD1-CG 4.28Å; L379-K406 HydrophobicContact CD2-CG 4.39Å; L379-I409 HydrophobicContact CB-CD1 4.46Å; L379-I409 HydrophobicContact CD2-CD1 3.94Å
380E92.3Very high86.2Confident126 Ų12666 Ų6659%0.58934%0.339SS*.Hα-helixtrans-60.2-41.1177.2-176.8177.7-172.400111.9M376 N377 Y378 S384M376-E380 PolarHBondContact O-N 2.89Å; N377-E380 PolarHBondContact O-N 3.1Å; Y378-E380 PolarHBondContact O-N 3.44Å; E380-S384 VanDerWaalsContact O-CB 3.26Å; E380-S384 WeakPolarHBondContact O-CB 3.29Å; E380-S384 PolarHBondContact O-N 3.06Å; E380-S384 PolarHBondContact O-OG 2.84Å
381T89.7Confident85.5Confident43 Ų4366.2 Ų66.226%0.26435%0.346SS..Hα-helixtrans-64-48.7177.2-59.60000110.9C241 N377 Y378 L379 E383 S384 T385C241-T381 HydrophobicContact CB-CG2 4.46Å; N377-T381 WeakPolarHBondContact O-CB 3.41Å; N377-T381 PolarHBondContact O-N 3.43Å; N377-T381 PolarHBondContact O-OG1 2.74Å; Y378-T381 PolarHBondContact O-N 2.97Å; L379-T381 VanDerWaalsContact C-N 3.31Å; L379-T381 PolarHBondContact O-N 3.39Å; T381-E383 PolarHBondContact O-N 3.13Å; T381-S384 PolarHBondContact O-N 2.86Å; T381-T385 WeakPolarHBondContact O-CG2 3.26Å; T381-T385 PolarHBondContact O-N 2.91Å; T381-T385 VanDerWaalsContact O-N 3.12Å
382L88.3Confident84.8Confident0 Ų069.4 Ų69.40%037%0.374CS..Hα-helixtrans-64.3-41.2178.7-67.2-175.2000112L238 C241 L242 I245 Y378 L379 T385 H386 R398 K401 I402 L405L238-L382 HydrophobicContact CD1-CD2 3.51Å; C241-L382 HydrophobicContact CB-CD2 4.32Å; L242-L382 HydrophobicContact CD2-CD2 4.49Å; I245-L382 HydrophobicContact CD1-CD1 3.74Å; I245-L382 HydrophobicContact CD1-CG 4.43Å; Y378-L382 WeakPolarHBondContact O-CG 3.39Å; Y378-L382 PolarHBondContact O-N 3.18Å; L379-L382 PolarHBondContact O-N 2.69Å; L382-T385 PolarHBondContact O-N 3.39Å; L382-T385 PolarHBondContact O-OG1 3.21Å; L382-H386 PolarHBondContact O-N 2.83Å; L382-R398 HydrophobicContact CB-CG 4.46Å; L382-R398 HydrophobicContact CD2-CG 4.28Å; L382-K401 HydrophobicContact CD1-CB 4.34Å; L382-I402 HydrophobicContact CB-CD1 4.08Å; L382-I402 HydrophobicContact CB-CG1 3.84Å; L382-I402 HydrophobicContact CD1-CG1 3.88Å; L382-L405 HydrophobicContact CD1-CD1 3.78Å
383E87.6Confident84.4Confident98 Ų9874 Ų7446%0.45840%0.396SS..Hα-helixtrans-65.1-39.2175.7-73.3-178.3166.600111.8L379 T381 T385 H386L379-E383 HydrophobicContact CD1-CG 4.26Å; L379-E383 HydrophobicContact CG-CG 4.46Å; L379-E383 WeakPolarHBondContact O-CB 3.3Å; L379-E383 VanDerWaalsContact O-CG 3.31Å; L379-E383 WeakPolarHBondContact O-CG 3.32Å; L379-E383 PolarHBondContact O-N 3.34Å; T381-E383 PolarHBondContact O-N 3.13Å; E383-T385 PolarHBondContact O-N 3.36Å; E383-H386 WeakPolarHBondContact O-CB 3.44Å; E383-H386 PolarHBondContact O-N 2.99Å
384S84.4Confident83.9Confident88 Ų8872.4 Ų72.462%0.61538%0.384SS*.Hα-helixtrans-62.7-31.7175.2-640000112.5E380 T381 H386E380-S384 VanDerWaalsContact O-CB 3.26Å; E380-S384 WeakPolarHBondContact O-CB 3.29Å; E380-S384 PolarHBondContact O-N 3.06Å; E380-S384 PolarHBondContact O-OG 2.84Å; T381-S384 PolarHBondContact O-N 2.86Å; S384-H386 VanDerWaalsContact C-N 3.26Å; S384-H386 PolarHBondContact O-N 3.43Å
385T81.5Confident83.5Confident12 Ų1268.7 Ų68.77%0.07437%0.371CS..G310 helixtrans-77.1-7.2174.369.40000113.8T381 L382 E383 S387 M388 F390T381-T385 WeakPolarHBondContact O-CG2 3.26Å; T381-T385 PolarHBondContact O-N 2.91Å; T381-T385 VanDerWaalsContact O-N 3.12Å; L382-T385 PolarHBondContact O-N 3.39Å; L382-T385 PolarHBondContact O-OG1 3.21Å; E383-T385 PolarHBondContact O-N 3.36Å; T385-S387 PolarHBondContact O-N 3.47Å; T385-S387 VanDerWaalsContact O-N 3.14Å; T385-M388 PolarHBondContact O-N 3.17Å; T385-M388 VanDerWaalsContact O-N 3.12Å; T385-F390 VanDerWaalsContact O-CE2 3.26Å; T385-F390 WeakPolarHBondContact O-CE2 3.49Å
386H76.6Confident83.3Confident120 Ų12072.1 Ų72.156%0.55640%0.395SS*.G310 helixtrans-59.3-30.5-176.1-16782.7000113.9L382 E383 S384 M388L382-H386 PolarHBondContact O-N 2.83Å; E383-H386 WeakPolarHBondContact O-CB 3.44Å; E383-H386 PolarHBondContact O-N 2.99Å; S384-H386 VanDerWaalsContact C-N 3.26Å; S384-H386 PolarHBondContact O-N 3.43Å; H386-M388 PolarHBondContact O-N 2.98Å
387S70Confident83.1Confident94 Ų9471.3 Ų71.366%0.65739%0.39SS*.G310 helixtrans-66.5-18.2-179.8-171.20000113.9T385T385-S387 PolarHBondContact O-N 3.47Å; T385-S387 VanDerWaalsContact O-N 3.14Å
388M68.7Low82.8Confident50 Ų5067.3 Ų67.325%0.24637%0.368CS..SBendtrans-90.4138.2-177-62.1-63.312200111.7T385 H386 F390T385-M388 PolarHBondContact O-N 3.17Å; T385-M388 VanDerWaalsContact O-N 3.12Å; H386-M388 PolarHBondContact O-N 2.98Å; M388-F390 HydrophobicContact CB-CD2 4.2Å; M388-F390 HydrophobicContact CB-CE1 4.15Å; M388-F390 HydrophobicContact CB-CE2 3.65Å; M388-F390 HydrophobicContact CB-CZ 3.61Å; M388-F390 HydrophobicContact CG-CZ 4.28Å; M388-F390 WeakPolarHBondContact O-CD2 3.31Å; M388-F390 PolarHBondContact O-N 3.17Å; M388-F390 VanDerWaalsContact O-N 3.13Å
389N69Low82.7Confident137 Ų13769.1 Ų69.173%0.73338%0.38SS*.  trans-81.790.3175.9-159.4-1.2000109.5
390F74.7Confident82.6Confident19 Ų1973.8 Ų73.88%0.08340%0.401CS..  trans-86.8164.5173.5-59.9-70.5000111.3L238 T385 M388 L394L238-F390 HydrophobicContact CD2-CD1 4.17Å; L238-F390 HydrophobicContact CD2-CD2 3.96Å; L238-F390 HydrophobicContact CD2-CE1 4.11Å; L238-F390 HydrophobicContact CD2-CE2 3.86Å; L238-F390 HydrophobicContact CD2-CG 4.09Å; L238-F390 HydrophobicContact CD2-CZ 3.94Å; T385-F390 VanDerWaalsContact O-CE2 3.26Å; T385-F390 WeakPolarHBondContact O-CE2 3.49Å; M388-F390 HydrophobicContact CB-CD2 4.2Å; M388-F390 HydrophobicContact CB-CE1 4.15Å; M388-F390 HydrophobicContact CB-CE2 3.65Å; M388-F390 HydrophobicContact CB-CZ 3.61Å; M388-F390 HydrophobicContact CG-CZ 4.28Å; M388-F390 WeakPolarHBondContact O-CD2 3.31Å; M388-F390 PolarHBondContact O-N 3.17Å; M388-F390 VanDerWaalsContact O-N 3.13Å; F390-L394 HydrophobicContact CB-CB 4.31Å
391D76.5Confident82.6Confident114 Ų11469.1 Ų69.161%0.6138%0.378SS*.  trans-53.7145.4171.2-170.510.1000110.9K393 L394 S395D391-K393 PolarHBondContact O-N 3.07Å; D391-K393 VanDerWaalsContact O-N 3.12Å; D391-L394 PolarHBondContact O-N 3.29Å; D391-S395 WeakPolarHBondContact O-CB 3.39Å; D391-S395 PolarHBondContact O-N 2.99Å
392A79.2Confident82.7Confident78 Ų7867.6 Ų67.665%0.64537%0.369SS*.Hα-helixtrans-55.3-36.2-175.300000111.8S396A392-S396 WeakPolarHBondContact O-CB 3.3Å; A392-S396 PolarHBondContact O-N 3Å
393K84.3Confident82.9Confident171 Ų17173 Ų7374%0.74339%0.394SS*.Hα-helixtrans-65.8-45.8177.3-168.4178.5-178.6-1770112.4D391 S396 K397D391-K393 PolarHBondContact O-N 3.07Å; D391-K393 VanDerWaalsContact O-N 3.12Å; K393-S396 PolarHBondContact O-N 3.42Å; K393-K397 PolarHBondContact O-N 3.18Å
394L81.9Confident83.1Confident35 Ų3570.2 Ų70.218%0.18338%0.382CS..Hα-helixtrans-69.9-40.5178.4-74.4170.1000111.6H235 F390 D391 S396 K397 R398H235-L394 WeakPolarHBondContact NE2-CD1 3.34Å; F390-L394 HydrophobicContact CB-CB 4.31Å; D391-L394 PolarHBondContact O-N 3.29Å; L394-S396 VanDerWaalsContact C-N 3.3Å; L394-S396 PolarHBondContact O-N 3.41Å; L394-K397 PolarHBondContact O-N 3.02Å; L394-R398 VanDerWaalsContact O-CB 3.32Å; L394-R398 WeakPolarHBondContact O-CB 3.34Å; L394-R398 PolarHBondContact O-N 3.42Å
395S85Confident83.5Confident31 Ų3166 Ų6622%0.21735%0.352CS..Hα-helixtrans-59.7-41.5173.9-173.10000111.4D391 R398 N399D391-S395 WeakPolarHBondContact O-CB 3.39Å; D391-S395 PolarHBondContact O-N 2.99Å; S395-R398 PolarHBondContact OG-NH2 3.33Å; S395-N399 WeakPolarHBondContact O-CB 3.39Å; S395-N399 PolarHBondContact O-N 3.21Å; S395-N399 PolarHBondContact O-ND2 3.15Å; S395-N399 PolarHBondContact O-OD1 3.03Å
396S87.4Confident84.1Confident73 Ų7369.5 Ų69.551%0.5137%0.367SS..Hα-helixtrans-63.4-50.2173.9-1680000112.1A392 K393 L394 R398 N399 E400A392-S396 WeakPolarHBondContact O-CB 3.3Å; A392-S396 PolarHBondContact O-N 3Å; K393-S396 PolarHBondContact O-N 3.42Å; L394-S396 VanDerWaalsContact C-N 3.3Å; L394-S396 PolarHBondContact O-N 3.41Å; S396-R398 VanDerWaalsContact C-N 3.3Å; S396-R398 PolarHBondContact O-N 2.72Å; S396-N399 PolarHBondContact O-N 2.87Å; S396-E400 WeakPolarHBondContact O-CB 3.41Å; S396-E400 PolarHBondContact O-N 3.12Å
397K88.2Confident84.9Confident70 Ų7069.3 Ų69.330%0.30437%0.366SS..Hα-helixtrans-59.4-41.7178.3-170.7176-179.3-176.10111.1L242 E246 K393 L394 K401L242-K397 HydrophobicContact CD1-CD 4.28Å; L242-K397 HydrophobicContact CD1-CG 4.43Å; L242-K397 HydrophobicContact CD2-CG 4.45Å; E246-K397 IonicContact OE2-NZ 3.24Å; E246-K397 PolarHBondContact OE2-NZ 2.89Å; K393-K397 PolarHBondContact O-N 3.18Å; L394-K397 PolarHBondContact O-N 3.02Å; K397-K401 WeakPolarHBondContact O-CG 3.21Å; K397-K401 PolarHBondContact O-N 3.32Å
398R88.4Confident86.1Confident7 Ų765.7 Ų65.73%0.02634%0.338CS..Hα-helixtrans-59.5-51.6174.6-179.9-164.666.1-163.1-2.7111.6L238 L382 L394 S395 S396 E400 K401 I402L238-R398 HydrophobicContact CD1-CB 4.29Å; L238-R398 HydrophobicContact CD1-CG 4.01Å; L382-R398 HydrophobicContact CB-CG 4.46Å; L382-R398 HydrophobicContact CD2-CG 4.28Å; L394-R398 VanDerWaalsContact O-CB 3.32Å; L394-R398 WeakPolarHBondContact O-CB 3.34Å; L394-R398 PolarHBondContact O-N 3.42Å; S395-R398 PolarHBondContact OG-NH2 3.33Å; S396-R398 VanDerWaalsContact C-N 3.3Å; S396-R398 PolarHBondContact O-N 2.72Å; R398-E400 VanDerWaalsContact C-N 3.32Å; R398-E400 PolarHBondContact O-N 2.83Å; R398-K401 PolarHBondContact O-N 3.27Å; R398-I402 HydrophobicContact CG-CD1 4.03Å; R398-I402 WeakPolarHBondContact O-CG1 3.47Å; R398-I402 PolarHBondContact O-N 3.09Å
399N89.9Confident87.2Confident68 Ų6864.1 Ų64.136%0.36433%0.33SS..Hα-helixtrans-64-39.3-177-64.8-13.1000111.5S395 S396 I402 E403S395-N399 WeakPolarHBondContact O-CB 3.39Å; S395-N399 PolarHBondContact O-N 3.21Å; S395-N399 PolarHBondContact O-ND2 3.15Å; S395-N399 PolarHBondContact O-OD1 3.03Å; S396-N399 PolarHBondContact O-N 2.87Å; N399-I402 PolarHBondContact O-N 2.85Å; N399-E403 PolarHBondContact O-N 3.23Å
400E91.5Very high88.4Confident115 Ų11561 Ų6154%0.53732%0.319SS..Hα-helixtrans-59.2-48.3173.1-176.9-173.1167.400111.7S396 R398 I402 E403 I404S396-E400 WeakPolarHBondContact O-CB 3.41Å; S396-E400 PolarHBondContact O-N 3.12Å; R398-E400 VanDerWaalsContact C-N 3.32Å; R398-E400 PolarHBondContact O-N 2.83Å; E400-I402 PolarHBondContact O-N 3.04Å; E400-E403 PolarHBondContact O-N 2.76Å; E400-I404 HydrophobicContact CG-CD1 4.23Å; E400-I404 WeakPolarHBondContact O-CG1 3.45Å; E400-I404 PolarHBondContact O-N 3.42Å; E400-I404 VanDerWaalsContact O-N 3.11Å
401K90.9Very high89.3Confident28 Ų2863.6 Ų63.612%0.12233%0.328CS..Hα-helixtrans-65.8-35178.3-68.6-64-174.3179.10112.9L242 I245 L382 K397 R398 E403 I404 L405L242-K401 HydrophobicContact CD2-CB 4.1Å; L242-K401 HydrophobicContact CD2-CG 3.77Å; I245-K401 HydrophobicContact CG2-CD 4.03Å; L382-K401 HydrophobicContact CD1-CB 4.34Å; K397-K401 WeakPolarHBondContact O-CG 3.21Å; K397-K401 PolarHBondContact O-N 3.32Å; R398-K401 PolarHBondContact O-N 3.27Å; K401-E403 VanDerWaalsContact C-N 3.31Å; K401-E403 PolarHBondContact O-N 2.95Å; K401-I404 HydrophobicContact CD-CD1 4.19Å; K401-I404 PolarHBondContact O-N 2.79Å; K401-L405 WeakPolarHBondContact O-CB 3.41Å; K401-L405 VanDerWaalsContact O-CG 3.3Å; K401-L405 WeakPolarHBondContact O-CG 3.17Å; K401-L405 PolarHBondContact O-N 2.89Å
402I92.2Very high90Very high12 Ų1258.1 Ų58.16%0.06230%0.299CS..Hα-helixtrans-57.9-44.8173.4-74.6170.3000110.8L379 L382 R398 N399 E400 L405 K406L379-I402 HydrophobicContact CD1-CG2 3.96Å; L382-I402 HydrophobicContact CB-CD1 4.08Å; L382-I402 HydrophobicContact CB-CG1 3.84Å; L382-I402 HydrophobicContact CD1-CG1 3.88Å; R398-I402 HydrophobicContact CG-CD1 4.03Å; R398-I402 WeakPolarHBondContact O-CG1 3.47Å; R398-I402 PolarHBondContact O-N 3.09Å; N399-I402 PolarHBondContact O-N 2.85Å; E400-I402 PolarHBondContact O-N 3.04Å; I402-L405 PolarHBondContact O-N 3.32Å; I402-K406 HydrophobicContact CG2-CD 4.31Å; I402-K406 WeakPolarHBondContact O-CG 3.32Å; I402-K406 PolarHBondContact O-N 3.13Å
403E93.1Very high90.7Very high112 Ų11258.5 Ų58.552%0.52329%0.287SS..Hα-helixtrans-67.8-39.4179.4-66.4-55.712000111.9N399 E400 K401 K406 Q407N399-E403 PolarHBondContact O-N 3.23Å; E400-E403 PolarHBondContact O-N 2.76Å; K401-E403 VanDerWaalsContact C-N 3.31Å; K401-E403 PolarHBondContact O-N 2.95Å; E403-K406 PolarHBondContact O-N 2.91Å; E403-K406 IonicContact OE1-NZ 3.28Å; E403-K406 PolarHBondContact OE1-NZ 2.96Å; E403-Q407 WeakPolarHBondContact O-CB 3.06Å; E403-Q407 PolarHBondContact O-N 3.25Å
404I92.2Very high90.9Very high40 Ų4053 Ų5321%0.20527%0.268CS..Hα-helixtrans-61.3-45.2173.3-67.2166.1000111.1E400 K401 K406 Q407 W408E400-I404 HydrophobicContact CG-CD1 4.23Å; E400-I404 WeakPolarHBondContact O-CG1 3.45Å; E400-I404 PolarHBondContact O-N 3.42Å; E400-I404 VanDerWaalsContact O-N 3.11Å; K401-I404 HydrophobicContact CD-CD1 4.19Å; K401-I404 PolarHBondContact O-N 2.79Å; I404-K406 PolarHBondContact O-N 3.17Å; I404-Q407 WeakPolarHBondContact O-CB 3.1Å; I404-Q407 PolarHBondContact O-N 3.27Å; I404-W408 HydrophobicContact CG2-CD2 3.94Å; I404-W408 HydrophobicContact CG2-CE3 4.01Å; I404-W408 HydrophobicContact CG2-CH2 3.82Å; I404-W408 HydrophobicContact CG2-CZ2 3.8Å; I404-W408 HydrophobicContact CG2-CZ3 3.96Å; I404-W408 PolarHBondContact O-N 3.28Å
405L93Very high91.3Very high0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-60.5-45.7177.8-73.7177.7000111.5I245 L375 L379 L382 K401 I402 Q407 W408 I409I245-L405 HydrophobicContact CD1-CD1 3.91Å; I245-L405 HydrophobicContact CD1-CG 4.47Å; I245-L405 HydrophobicContact CG1-CD2 4.4Å; I245-L405 HydrophobicContact CG2-CD2 4.4Å; L375-L405 HydrophobicContact CB-CD2 4.37Å; L375-L405 HydrophobicContact CD2-CD2 3.57Å; L379-L405 HydrophobicContact CB-CD1 4.29Å; L379-L405 HydrophobicContact CD1-CB 4.46Å; L382-L405 HydrophobicContact CD1-CD1 3.78Å; K401-L405 WeakPolarHBondContact O-CB 3.41Å; K401-L405 VanDerWaalsContact O-CG 3.3Å; K401-L405 WeakPolarHBondContact O-CG 3.17Å; K401-L405 PolarHBondContact O-N 2.89Å; I402-L405 PolarHBondContact O-N 3.32Å; L405-Q407 VanDerWaalsContact C-N 3.29Å; L405-Q407 PolarHBondContact O-N 3.14Å; L405-W408 HydrophobicContact CD2-CE3 4.12Å; L405-W408 HydrophobicContact CD2-CZ3 4.29Å; L405-W408 PolarHBondContact O-N 2.68Å; L405-I409 WeakPolarHBondContact O-CB 3.41Å; L405-I409 WeakPolarHBondContact O-CD1 3.49Å; L405-I409 VanDerWaalsContact O-CG1 3.24Å; L405-I409 WeakPolarHBondContact O-CG1 3.46Å; L405-I409 PolarHBondContact O-N 2.94Å
406K93.4Very high91.5Very high86 Ų8650.9 Ų50.937%0.37426%0.255SS..Hα-helixtrans-59.7-41.5175.4-72.6174.2-173.4165.80111.5L379 I402 E403 I404 I409 S410L379-K406 HydrophobicContact CD1-CG 4.28Å; L379-K406 HydrophobicContact CD2-CG 4.39Å; I402-K406 HydrophobicContact CG2-CD 4.31Å; I402-K406 WeakPolarHBondContact O-CG 3.32Å; I402-K406 PolarHBondContact O-N 3.13Å; E403-K406 PolarHBondContact O-N 2.91Å; E403-K406 IonicContact OE1-NZ 3.28Å; E403-K406 PolarHBondContact OE1-NZ 2.96Å; I404-K406 PolarHBondContact O-N 3.17Å; K406-I409 PolarHBondContact O-N 3.5Å; K406-S410 WeakPolarHBondContact O-CB 3.4Å; K406-S410 PolarHBondContact O-N 3.12Å
407Q93.6Very high91.4Very high116 Ų11649.9 Ų49.954%0.54225%0.248SC..Hα-helixtrans-62.9-47.2176.7-174.1-178.41.600111.7E403 I404 L405 S410 R411E403-Q407 WeakPolarHBondContact O-CB 3.06Å; E403-Q407 PolarHBondContact O-N 3.25Å; I404-Q407 WeakPolarHBondContact O-CB 3.1Å; I404-Q407 PolarHBondContact O-N 3.27Å; L405-Q407 VanDerWaalsContact C-N 3.29Å; L405-Q407 PolarHBondContact O-N 3.14Å; Q407-S410 PolarHBondContact O-N 3.36Å; Q407-R411 WeakPolarHBondContact O-CG 3.34Å; Q407-R411 PolarHBondContact O-N 3.48Å
408W94.5Very high90.9Very high18 Ų1850 Ų507%0.06825%0.251CS..Hα-helixtrans-63.5-43.7176.2-75.8-28.9000112.7I245 S249 V252 E253 L256 L375 I404 L405 S410 R411 I412I245-W408 HydrophobicContact CG2-CZ3 4.27Å; S249-W408 VanDerWaalsContact CB-CH2 3.43Å; V252-W408 HydrophobicContact CG1-CB 4.45Å; V252-W408 HydrophobicContact CG1-CD2 3.92Å; V252-W408 HydrophobicContact CG1-CE3 4.25Å; V252-W408 HydrophobicContact CG1-CG 4.02Å; E253-W408 PolarHBondContact OE2-NE1 3.42Å; L256-W408 HydrophobicContact CD1-CG 4.46Å; L375-W408 HydrophobicContact CD1-CB 3.99Å; L375-W408 HydrophobicContact CD1-CE3 4.46Å; L375-W408 HydrophobicContact CD2-CE3 3.95Å; L375-W408 HydrophobicContact CD2-CZ3 4.34Å; I404-W408 HydrophobicContact CG2-CD2 3.94Å; I404-W408 HydrophobicContact CG2-CE3 4.01Å; I404-W408 HydrophobicContact CG2-CH2 3.82Å; I404-W408 HydrophobicContact CG2-CZ2 3.8Å; I404-W408 HydrophobicContact CG2-CZ3 3.96Å; I404-W408 PolarHBondContact O-N 3.28Å; L405-W408 HydrophobicContact CD2-CE3 4.12Å; L405-W408 HydrophobicContact CD2-CZ3 4.29Å; L405-W408 PolarHBondContact O-N 2.68Å; W408-S410 VanDerWaalsContact C-N 3.28Å; W408-S410 PolarHBondContact O-N 3Å; W408-R411 PolarHBondContact O-N 3.32Å; W408-I412 VanDerWaalsContact O-CG1 3.31Å; W408-I412 WeakPolarHBondContact O-CG1 3.44Å; W408-I412 PolarHBondContact O-N 3.22Å
409I92.9Very high90.6Very high17 Ų1753.2 Ų53.29%0.08727%0.269CS..Hα-helixtrans-59.9-43.2176.1-69.6160.2000110.1L375 M376 L379 L405 K406 I412 Q413L375-I409 HydrophobicContact CB-CD1 4.2Å; L375-I409 HydrophobicContact CB-CG1 3.93Å; L375-I409 HydrophobicContact CD1-CG1 4.47Å; M376-I409 HydrophobicContact CG-CD1 4.4Å; M376-I409 HydrophobicContact SD-CD1 3.65Å; M376-I409 HydrophobicContact SD-CG1 4.26Å; M376-I409 HydrophobicContact SD-CG2 4.03Å; L379-I409 HydrophobicContact CB-CD1 4.46Å; L379-I409 HydrophobicContact CD2-CD1 3.94Å; L405-I409 WeakPolarHBondContact O-CB 3.41Å; L405-I409 WeakPolarHBondContact O-CD1 3.49Å; L405-I409 VanDerWaalsContact O-CG1 3.24Å; L405-I409 WeakPolarHBondContact O-CG1 3.46Å; L405-I409 PolarHBondContact O-N 2.94Å; K406-I409 PolarHBondContact O-N 3.5Å; I409-I412 PolarHBondContact O-N 2.9Å; I409-Q413 WeakPolarHBondContact O-CB 3.26Å; I409-Q413 PolarHBondContact O-N 3.43Å
410S93.7Very high90.4Very high70 Ų7052 Ų5249%0.4926%0.259SS..Hα-helixtrans-63.7-43.4175.1-171.40000111.9K406 Q407 W408 Q413 T414K406-S410 WeakPolarHBondContact O-CB 3.4Å; K406-S410 PolarHBondContact O-N 3.12Å; Q407-S410 PolarHBondContact O-N 3.36Å; W408-S410 VanDerWaalsContact C-N 3.28Å; W408-S410 PolarHBondContact O-N 3Å; S410-Q413 PolarHBondContact O-N 3.18Å; S410-T414 PolarHBondContact O-N 3.26Å; S410-T414 PolarHBondContact O-OG1 3.37Å
411R93.5Very high90.1Very high74 Ų7451.5 Ų51.528%0.27926%0.26SS..Hα-helixtrans-63.1-44.9177.4-77.8179.173.8-169.70.1111.7E253 L256 Q407 W408 Q413 T414 L415E253-R411 VanDerWaalsContact CD-NH1 3.31Å; E253-R411 IonicContact OE1-CZ 2.93Å; E253-R411 IonicContact OE1-NH1 2.74Å; E253-R411 PolarHBondContact OE1-NH1 3.48Å; E253-R411 IonicContact OE1-NH2 2.67Å; E253-R411 PolarHBondContact OE1-NH2 3.1Å; E253-R411 IonicContact OE2-NH1 3.31Å; E253-R411 PolarHBondContact OE2-NH1 2.86Å; E253-R411 VanDerWaalsContact OE2-NH1 3.11Å; L256-R411 HydrophobicContact CD1-CB 4.26Å; Q407-R411 WeakPolarHBondContact O-CG 3.34Å; Q407-R411 PolarHBondContact O-N 3.48Å; W408-R411 PolarHBondContact O-N 3.32Å; R411-Q413 VanDerWaalsContact C-N 3.33Å; R411-Q413 PolarHBondContact O-N 3.1Å; R411-T414 PolarHBondContact O-N 3.44Å; R411-L415 WeakPolarHBondContact O-CG 3.34Å; R411-L415 PolarHBondContact O-N 3.4Å
412I92.1Very high89.7Confident0 Ų053.8 Ų53.80%027%0.268CS..Hα-helixtrans-56-51.2173.7-70.6162.9000109.7L256 A367 H371 R372 L375 W408 I409 T414 L415 T416L256-I412 HydrophobicContact CD1-CG1 4.27Å; L256-I412 HydrophobicContact CD2-CG1 3.56Å; L256-I412 HydrophobicContact CG-CG1 4.46Å; A367-I412 HydrophobicContact CB-CG1 4.37Å; A367-I412 HydrophobicContact CB-CG2 4.21Å; H371-I412 HydrophobicContact CB-CD1 4.23Å; R372-I412 HydrophobicContact CB-CG2 4.24Å; L375-I412 HydrophobicContact CD1-CD1 3.59Å; W408-I412 VanDerWaalsContact O-CG1 3.31Å; W408-I412 WeakPolarHBondContact O-CG1 3.44Å; W408-I412 PolarHBondContact O-N 3.22Å; I409-I412 PolarHBondContact O-N 2.9Å; I412-T414 VanDerWaalsContact C-N 3.29Å; I412-T414 PolarHBondContact O-N 3.28Å; I412-L415 PolarHBondContact O-N 3.03Å; I412-T416 HydrophobicContact CG2-CG2 4.31Å; I412-T416 WeakPolarHBondContact O-CG2 3.37Å; I412-T416 PolarHBondContact O-N 3.47Å; I412-T416 PolarHBondContact O-OG1 3.43Å
413Q92Very high89.4Confident85 Ų8554.1 Ų54.140%0.39727%0.27SS..Hα-helixtrans-61.6-37.6-179.1-177.7165.1-25.300112.6R372 I409 S410 R411 S417 L418R372-Q413 VanDerWaalsContact NH2-OE1 3.11Å; I409-Q413 WeakPolarHBondContact O-CB 3.26Å; I409-Q413 PolarHBondContact O-N 3.43Å; S410-Q413 PolarHBondContact O-N 3.18Å; R411-Q413 VanDerWaalsContact C-N 3.33Å; R411-Q413 PolarHBondContact O-N 3.1Å; Q413-S417 WeakPolarHBondContact O-CA 3.46Å; Q413-S417 WeakPolarHBondContact O-CB 3.36Å; Q413-S417 PolarHBondContact O-N 3.43Å; Q413-L418 PolarHBondContact O-N 2.98Å
414T90.4Very high88.9Confident55 Ų5552.5 Ų52.534%0.33726%0.262SS..Iπ-helixtrans-67-50.4175-59.20000111.9S410 R411 I412 L418 L419S410-T414 PolarHBondContact O-N 3.26Å; S410-T414 PolarHBondContact O-OG1 3.37Å; R411-T414 PolarHBondContact O-N 3.44Å; I412-T414 VanDerWaalsContact C-N 3.29Å; I412-T414 PolarHBondContact O-N 3.28Å; T414-L418 HydrophobicContact CG2-CD1 4.37Å; T414-L418 CarbonylContact O-C 3.6Å; T414-L418 WeakPolarHBondContact O-CA 3.21Å; T414-L418 WeakPolarHBondContact O-CB 3.4Å; T414-L418 PolarHBondContact O-N 2.77Å; T414-L419 HydrophobicContact CG2-CD1 4.32Å; T414-L419 PolarHBondContact O-N 2.87Å; T414-L419 VanDerWaalsContact O-N 3.09Å
415L90.2Very high88.6Confident16 Ų1651.4 Ų51.48%0.08426%0.256CS..Iπ-helixtrans-68.2-38.2-176.4-65.1177000112.4L256 L259 L263 R411 I412 L419 Y420L256-L415 HydrophobicContact CB-CD1 4.33Å; L256-L415 HydrophobicContact CD2-CD1 3.96Å; L259-L415 HydrophobicContact CB-CD1 4.41Å; L259-L415 HydrophobicContact CD2-CB 3.72Å; L259-L415 HydrophobicContact CD2-CD1 4.18Å; L259-L415 HydrophobicContact CG-CB 4.25Å; L259-L415 HydrophobicContact CG-CD1 4.35Å; L263-L415 HydrophobicContact CD1-CB 4.16Å; L263-L415 HydrophobicContact CD1-CD2 3.94Å; R411-L415 WeakPolarHBondContact O-CG 3.34Å; R411-L415 PolarHBondContact O-N 3.4Å; I412-L415 PolarHBondContact O-N 3.03Å; L415-L419 HydrophobicContact CD2-CD1 4.08Å; L415-Y420 VanDerWaalsContact O-CB 3.24Å; L415-Y420 WeakPolarHBondContact O-CB 3.33Å; L415-Y420 PolarHBondContact O-N 2.89Å
416T89.2Confident88.1Confident6 Ų655 Ų554%0.03727%0.274CS..Iπ-helixtrans-85.7-65.1-179.570.70000111.4L259 A364 A367 A368 I412 Y420 D421L259-T416 HydrophobicContact CD2-CG2 4.28Å; A364-T416 HydrophobicContact CB-CG2 4.31Å; A367-T416 HydrophobicContact CB-CG2 4.06Å; A368-T416 HydrophobicContact CB-CG2 4.28Å; I412-T416 HydrophobicContact CG2-CG2 4.31Å; I412-T416 WeakPolarHBondContact O-CG2 3.37Å; I412-T416 PolarHBondContact O-N 3.47Å; I412-T416 PolarHBondContact O-OG1 3.43Å; T416-Y420 PolarHBondContact O-N 2.73Å; T416-D421 WeakPolarHBondContact O-CB 3.31Å; T416-D421 PolarHBondContact O-N 3.25Å
417S84.8Confident87.4Confident52 Ų5255 Ų5536%0.36428%0.279SS..Iπ-helixtrans-77.5-30.2-169.61770000114.3Q413 D421Q413-S417 WeakPolarHBondContact O-CA 3.46Å; Q413-S417 WeakPolarHBondContact O-CB 3.36Å; Q413-S417 PolarHBondContact O-N 3.43Å; S417-D421 WeakPolarHBondContact CA-OD2 3.48Å
418L77.4Confident85.8Confident72 Ų7252.8 Ų52.838%0.37728%0.276SS..Iπ-helixtrans-96.1-22-179-58.6179.2000113.8Q413 T414 R422Q413-L418 PolarHBondContact O-N 2.98Å; T414-L418 HydrophobicContact CG2-CD1 4.37Å; T414-L418 CarbonylContact O-C 3.6Å; T414-L418 WeakPolarHBondContact O-CA 3.21Å; T414-L418 WeakPolarHBondContact O-CB 3.4Å; T414-L418 PolarHBondContact O-N 2.77Å; L418-R422 WeakPolarHBondContact O-CD 3.48Å; L418-R422 PolarHBondContact O-NE 3.49Å; L418-R422 VanDerWaalsContact O-NE 3.1Å
419L81.7Confident83.7Confident76 Ų7660.1 Ų60.140%0.39831%0.311SS..Iπ-helixtrans-117.5-69.9-176.1-66.4173.2000111.7L263 T414 L415 D421 R422L263-L419 HydrophobicContact CD1-CB 4.13Å; L263-L419 HydrophobicContact CD1-CD1 4.49Å; T414-L419 HydrophobicContact CG2-CD1 4.32Å; T414-L419 PolarHBondContact O-N 2.87Å; T414-L419 VanDerWaalsContact O-N 3.09Å; L415-L419 HydrophobicContact CD2-CD1 4.08Å; L419-D421 PolarHBondContact O-N 2.86Å; L419-R422 WeakPolarHBondContact O-CB 3.41Å; L419-R422 PolarHBondContact O-N 3.12Å; L419-R422 VanDerWaalsContact O-N 3.1Å
420Y86.3Confident81.4Confident41 Ų4165 Ų6516%0.16134%0.344CS..G310 helixtrans-60.4-46.2-173.4175.5-97.2000113.3L263 A360 T361 A364 L415 T416 R422 I423L263-Y420 HydrophobicContact CD2-CD2 4.31Å; A360-Y420 HydrophobicContact CB-CD2 3.96Å; A360-Y420 HydrophobicContact CB-CE2 3.68Å; T361-Y420 VanDerWaalsContact CA-OH 3.25Å; T361-Y420 WeakPolarHBondContact CA-OH 3.25Å; T361-Y420 VanDerWaalsContact CB-OH 3.28Å; T361-Y420 WeakPolarHBondContact CB-OH 3.34Å; T361-Y420 WeakPolarHBondContact CG2-OH 3.33Å; T361-Y420 PolarHBondContact OG1-OH 3.3Å; A364-Y420 HydrophobicContact CB-CD1 3.55Å; A364-Y420 HydrophobicContact CB-CD2 4.22Å; A364-Y420 HydrophobicContact CB-CE1 3.78Å; A364-Y420 HydrophobicContact CB-CE2 4.43Å; A364-Y420 HydrophobicContact CB-CG 3.79Å; L415-Y420 VanDerWaalsContact O-CB 3.24Å; L415-Y420 WeakPolarHBondContact O-CB 3.33Å; L415-Y420 PolarHBondContact O-N 2.89Å; T416-Y420 PolarHBondContact O-N 2.73Å; Y420-R422 PolarHBondContact O-N 3.31Å; Y420-I423 PolarHBondContact O-N 2.75Å
421D85.4Confident78.6Confident105 Ų10570 Ų7056%0.56136%0.362SS*.G310 helixtrans-62.7-12.4-179.9-69.2-12.5000112.9T416 S417 L419T416-D421 WeakPolarHBondContact O-CB 3.31Å; T416-D421 PolarHBondContact O-N 3.25Å; S417-D421 WeakPolarHBondContact CA-OD2 3.48Å; L419-D421 PolarHBondContact O-N 2.86Å
422R82.8Confident76Confident76 Ų7675.2 Ų75.229%0.28739%0.389SS..G310 helixtrans-94.1-8.6177.3-57.4-169.1179.7173.8-2.7113.8P343 K344 I345 L418 L419 Y420P343-R422 WeakPolarHBondContact O-CD 3.3Å; K344-R422 CarbonylContact C-O 3.39Å; K344-R422 WeakPolarHBondContact CA-O 3.25Å; I345-R422 PolarHBondContact N-O 2.88Å; L418-R422 WeakPolarHBondContact O-CD 3.48Å; L418-R422 PolarHBondContact O-NE 3.49Å; L418-R422 VanDerWaalsContact O-NE 3.1Å; L419-R422 WeakPolarHBondContact O-CB 3.41Å; L419-R422 PolarHBondContact O-N 3.12Å; L419-R422 VanDerWaalsContact O-N 3.1Å; Y420-R422 PolarHBondContact O-N 3.31Å
423I85.2Confident73.2Confident20 Ų2086.8 Ų86.810%0.10343%0.433CS..EExtended strand (participates in β ladder)trans-87.1125179.9-60174.2000108.8L263 L266 V267 I345 I347 Y420 F425L263-I423 HydrophobicContact CD2-CD1 3.61Å; L266-I423 HydrophobicContact CD1-CD1 4.45Å; V267-I423 HydrophobicContact CG2-CD1 3.95Å; V267-I423 HydrophobicContact CG2-CG1 4.33Å; I345-I423 WeakPolarHBondContact O-CA 3.37Å; I347-I423 HydrophobicContact CD1-CG2 3.57Å; I347-I423 HydrophobicContact CG1-CG2 4.05Å; Y420-I423 PolarHBondContact O-N 2.75Å; I423-F425 HydrophobicContact CG2-CD2 4.14Å; I423-F425 HydrophobicContact CG2-CE1 4.43Å; I423-F425 HydrophobicContact CG2-CE2 3.64Å; I423-F425 HydrophobicContact CG2-CZ 3.81Å
424E83.3Confident70.6Confident77 Ų7789 Ų8936%0.3645%0.452SS..EExtended strand (participates in β ladder)trans-120.7117.8175.2-172.3166.5-179.700109.7K344 I345 Y346 I347K344-E424 VanDerWaalsContact CD-OE2 3.32Å; K344-E424 WeakPolarHBondContact CD-OE2 3.3Å; K344-E424 IonicContact NZ-OE2 2.74Å; K344-E424 PolarHBondContact NZ-OE2 2.88Å; I345-E424 PolarHBondContact O-N 3.3Å; Y346-E424 WeakPolarHBondContact CA-O 3.38Å; Y346-E424 HydrophobicContact CD1-CB 3.76Å; Y346-E424 HydrophobicContact CD1-CG 4.08Å; Y346-E424 HydrophobicContact CE1-CB 3.73Å; Y346-E424 HydrophobicContact CE1-CG 3.82Å; Y346-E424 WeakPolarHBondContact CE1-OE2 3.43Å; I347-E424 PolarHBondContact N-O 3.35Å; I347-E424 VanDerWaalsContact N-O 3.09Å
425F84.5Confident67.8Low17 Ų1793.1 Ų93.18%0.07547%0.472CS..EExtended strand (participates in β ladder)trans-84.8125.1179.9-66.7-89.7000110.1L266 I347 R349 E357 I423L266-F425 HydrophobicContact CD1-CZ 4.11Å; L266-F425 HydrophobicContact CD2-CE1 4.12Å; L266-F425 HydrophobicContact CD2-CZ 4.25Å; I347-F425 HydrophobicContact CB-CD1 3.91Å; I347-F425 HydrophobicContact CB-CE1 4.03Å; I347-F425 HydrophobicContact CD1-CE1 4.24Å; I347-F425 HydrophobicContact CG2-CD1 4.04Å; I347-F425 HydrophobicContact CG2-CE1 3.97Å; I347-F425 WeakPolarHBondContact O-CA 3.46Å; R349-F425 HydrophobicContact CG-CB 3.87Å; R349-F425 PolarHBondContact NH1-O 3.31Å; R349-F425 VanDerWaalsContact NH1-O 3.09Å; R349-F425 PolarHBondContact NH2-O 2.95Å; R349-F425 VanDerWaalsContact NH2-O 3.09Å; E357-F425 HydrophobicContact CB-CD1 4.23Å; E357-F425 HydrophobicContact CB-CD2 4.21Å; E357-F425 HydrophobicContact CB-CE1 3.83Å; E357-F425 HydrophobicContact CB-CE2 3.83Å; E357-F425 HydrophobicContact CB-CG 4.41Å; E357-F425 HydrophobicContact CB-CZ 3.62Å; E357-F425 VanDerWaalsContact CD-CD2 3.43Å; E357-F425 HydrophobicContact CG-CD1 4.39Å; E357-F425 HydrophobicContact CG-CD2 3.62Å; E357-F425 HydrophobicContact CG-CE1 4.32Å; E357-F425 HydrophobicContact CG-CE2 3.55Å; E357-F425 HydrophobicContact CG-CG 4.06Å; E357-F425 HydrophobicContact CG-CZ 3.91Å; E357-F425 WeakPolarHBondContact OE1-CD2 3.39Å; I423-F425 HydrophobicContact CG2-CD2 4.14Å; I423-F425 HydrophobicContact CG2-CE1 4.43Å; I423-F425 HydrophobicContact CG2-CE2 3.64Å; I423-F425 HydrophobicContact CG2-CZ 3.81Å
426I83.8Confident65.1Low75 Ų75100.1 Ų100.139%0.38551%0.509SS..EExtended strand (participates in β ladder)trans-105.8127.4179.6-64.7-179.8000109.4Y346 I347 R349Y346-I426 HydrophobicContact CD1-CD1 3.29Å; Y346-I426 HydrophobicContact CD1-CG1 3.68Å; Y346-I426 HydrophobicContact CE1-CD1 3.93Å; Y346-I426 HydrophobicContact CE1-CG1 4.35Å; Y346-I426 HydrophobicContact CG-CD1 3.69Å; Y346-I426 HydrophobicContact CG-CG1 4.4Å; I347-I426 PolarHBondContact O-N 3.21Å; R349-I426 PolarHBondContact N-O 3Å
427D78.3Confident62.5Low88 Ų88105.2 Ų105.247%0.47154%0.542SS..  trans-71.6135164-71.2-59.7000109R349 E429R349-D427 WeakPolarHBondContact CD-OD1 3.27Å; R349-D427 IonicContact CZ-OD2 3.13Å; R349-D427 IonicContact NH1-OD1 3.91Å; R349-D427 IonicContact NH1-OD2 3.42Å; R349-D427 PolarHBondContact NH1-OD2 3.49Å; D427-E429 PolarHBondContact O-N 3.22Å
428S60.9Low59.9Low68 Ų68107.6 Ų107.648%0.47657%0.565SS.*  trans-60.6103176.4-53.60000109.3K348K348-S428 WeakPolarHBondContact CE-OG 3.32Å
429E50.1Low57.9Low172 Ų172115.9 Ų115.980%0.80459%0.591SS**  trans-63.5140168.8-84.4-164.5161.700109.1D427 M431D427-E429 PolarHBondContact O-N 3.22Å; E429-M431 PolarHBondContact O-N 2.99Å; E429-M431 VanDerWaalsContact O-N 3.08Å
430P43.7Very low55.2Low121 Ų121118.2 Ų118.279%0.78661%0.609SS**  trans-66.4116.3-175.925.9-30.8000109H432P430-H432 PolarHBondContact O-N 3.38Å; P430-H432 VanDerWaalsContact O-N 3.08Å
431M36.1Very low53.4Low174 Ų174121.7 Ų121.786%0.85764%0.636SS**  trans-39118.7169.4-73.1-76.7105.800110.2E429 R433E429-M431 PolarHBondContact O-N 2.99Å; E429-M431 VanDerWaalsContact O-N 3.08Å; M431-R433 PolarHBondContact O-N 3.03Å; M431-R433 VanDerWaalsContact O-N 3.16Å
432H38Very low50.9Low183 Ų183121.9 Ų121.985%0.84765%0.646SS**  trans-28.8113.9174.7-89.2-75.2000112.8P430 V434P430-H432 PolarHBondContact O-N 3.38Å; P430-H432 VanDerWaalsContact O-N 3.08Å; H432-V434 PolarHBondContact O-N 3.45Å
433R32.3Very low48.4Very low244 Ų244125.5 Ų125.592%0.92167%0.669SS**  trans-60.1101.6164.6-79.6-172.1-179.2-170.51.2108.4M431 N435M431-R433 PolarHBondContact O-N 3.03Å; M431-R433 VanDerWaalsContact O-N 3.16Å; R433-N435 PolarHBondContact O-N 3.28Å
434V38.3Very low45.9Very low131 Ų131129.4 Ų129.479%0.79470%0.698SS**  trans-64.5126.1162173.90000107.7H432 N436H432-V434 PolarHBondContact O-N 3.45Å; V434-N436 PolarHBondContact O-N 2.97Å
435N30.8Very low43.6Very low142 Ų142130.5 Ų130.576%0.75972%0.715SS**  trans-43.1128.9173.1-61.8-52.3000112.4R433R433-N435 PolarHBondContact O-N 3.28Å
436N33.8Very low41.1Very low163 Ų163135.7 Ų135.787%0.87274%0.743SS**  trans-150.1124.4141.5-103.4-24.7000110.7V434V434-N436 PolarHBondContact O-N 2.97Å
437P34.8Very low38.6Very low113 Ų113138.4 Ų138.473%0.73476%0.759SS**  trans-88.9164.3-179.836.3-32.4000111.7
438A31.3Very low37Very low101 Ų101140 Ų14084%0.83578%0.776SS**  trans77.498.4163.900000117.6
439R33.7Very low35.8Very low246 Ų246143.5 Ų143.593%0.92879%0.79SS**  -167.8132.5109.4-170.7170.7-94.1-129.6-0.6110.3
440T26.5Very low35.2Very low126 Ų126145.6 Ų145.677%0.77380%0.797SS**  trans-84.8-166.2179.751.70000110.9
441P47.5Very low34.8Very low113 Ų113148.2 Ų148.273%0.73480%0.799SS**  -129.1154.6-93.536.8-17.6000113.6
442S32.3Very low34.7Very low110 Ų110147.4 Ų147.477%0.76979%0.793SS**  trans-179.7141.1162.5-1.20000106.3
443I31.4Very low34.4Very low151 Ų151145.7 Ų145.777%0.77479%0.794SS**  cis-171.9157.418.6-110.9156.7000107
444S33.4Very low34.1Very low102 Ų102141 Ų14171%0.71379%0.786SS**  trans62.5113.8160.565.80000118.8
445S33.6Very low33.4Very low100 Ų100139.4 Ų139.470%0.69978%0.781SS**  91.2123.853.71800000112.5
446D31.7Very low33.1Very low126 Ų126138.5 Ų138.567%0.67478%0.781SS**  trans77.6105.1148.9-70.819.6000120.7
447D31.8Very low32.7Very low133 Ų133137 Ų13771%0.71178%0.778SS**  63.5108.9111.8-61.6-8.3000118.9
448S45.8Very low32.6Very low120 Ų120136.9 Ų136.984%0.83978%0.78SS**  -165.7104.6119.5-82.20000111.1
449D35.2Very low32.2Very low143 Ų143140 Ų14077%0.76578%0.782SS**  trans4.4113.5137.4-62.3-24.4000117.6
450F37.7Very low32.1Very low216 Ų216134.3 Ų134.395%0.94778%0.775SS**  trans-151.693.8132.7-95.3-76.1000108.1
451E35.1Very low31.9Very low176 Ų176132.1 Ų132.182%0.82278%0.777SS**  trans-57.7125.3164.9-75.5-175.7156.900110.1
452E33.7Very low31Very low157 Ų157136 Ų13673%0.73478%0.782SS**  64.99791.8-162.2173.5-173.400114.8
453V32.5Very low30.4Very low146 Ų146136.1 Ų136.189%0.88578%0.783SS**  trans-13177.5152.4179.80000107.7
454I26.3Very low30Very low145 Ų145136.8 Ų136.874%0.74479%0.788SS**  trans-145.7106.1156.7-54.5179.3000108.2
455S23.6Very low29.4Very low99 Ų99137.1 Ų137.169%0.69279%0.789SS**  trans178.5118.8135.3-82.60000108.7
456T24.7Very low28.7Very low123 Ų123142.1 Ų142.176%0.75579%0.794SS**  168.9129.2107.135.50000111.9
457T25.3Very low28.3Very low132 Ų132142.3 Ų142.381%0.8180%0.802SS**  trans67.1112.3143.963.20000119.6
458S31Very low27.8Very low110 Ų110140.4 Ų140.477%0.76980%0.799SS**  -160.290.5112.460.50000110.6T460S458-T460 PolarHBondContact O-N 2.92Å
459D24.1Very low26.8Very low167 Ų167140.2 Ų140.289%0.89380%0.797SS**  trans-65.4116.4147.5-91.3-37.7000107.9
460T30.5Very low26.2Very low126 Ų126141.4 Ų141.477%0.77380%0.803SS**  trans-142.598.9149.528.10000108.7S458 K462S458-T460 PolarHBondContact O-N 2.92Å; T460-K462 PolarHBondContact O-N 3.25Å
461G23.4Very low25.5Very low79 Ų79139.1 Ų139.181%0.81480%0.795SS**  trans-60.9120.9158.900000109.8
462K27.5Very low25.1Very low195 Ų195139.4 Ų139.485%0.84880%0.796SS**  trans-132.395.9155.8-88.5-177.5178.4173.70108.7T460T460-K462 PolarHBondContact O-N 3.25Å
463S20.3Very low24.7Very low113 Ų113138.5 Ų138.579%0.7980%0.797SS**  trans-58.6127.2148.2171.80000108.6
464L23Very low24.5Very low165 Ų165140 Ų14086%0.86480%0.798SS**  trans-170.2111.2147.5-102.5149.9000110.9
465C20.7Very low24.3Very low109 Ų109138.8 Ų138.874%0.73680%0.803SS**  trans-2.7136.1155.1-84.50000120.5
466Y19.7Very low24.4Very low204 Ų204140.1 Ų140.180%0.881%0.811SS**  trans3.8133.1134.3-76.6-89.4000118.2
467P23.7Very low24.3Very low130 Ų130137.5 Ų137.584%0.84481%0.808SS**  trans-107.9101.913930.8-16.9000109.4
468S21.3Very low24.1Very low94 Ų94142.3 Ų142.366%0.65781%0.811SS**  trans-89.4144.8151.5-74.40000108
469S22.9Very low23.6Very low115 Ų115144.4 Ų144.480%0.80481%0.811SS**  trans84.7102-178.378.10000115.6
470L24.5Very low23.6Very low169 Ų169145.5 Ų145.589%0.88581%0.811SS**  -145.8122.8113.4-94.9176000109.5E472L470-E472 PolarHBondContact O-N 3.29Å
471H22.9Very low23.3Very low167 Ų167144.8 Ų144.877%0.77381%0.811SS**  trans-54118.7164.2-121.6-100.9000108.9
472E26.5Very low23.5Very low183 Ų183148.9 Ų148.986%0.85581%0.813SS**  trans-120.7115.5159.1-97.3-172.6161.800110.3L470 L474L470-E472 PolarHBondContact O-N 3.29Å; E472-L474 PolarHBondContact O-N 3.39Å; E472-L474 VanDerWaalsContact O-N 3.15Å
473N24.2Very low23.3Very low138 Ų138146.5 Ų146.574%0.73881%0.809SS**  trans-67.3101.5177.2-60.6-62.3000109.2S475N473-S475 VanDerWaalsContact C-N 3.26Å; N473-S475 PolarHBondContact O-N 2.92Å
474L28.5Very low23.4Very low176 Ų176146.4 Ų146.492%0.92181%0.808SS**  trans-75.987.8163.4-80158.7000108.7E472 C476E472-L474 PolarHBondContact O-N 3.39Å; E472-L474 VanDerWaalsContact O-N 3.15Å; L474-C476 PolarHBondContact O-N 3.04Å; L474-C476 VanDerWaalsContact O-N 3.08Å
475S22.8Very low23.5Very low120 Ų120148 Ų14884%0.83981%0.808SS**  trans-55.1101.2164-179.60000109.6N473 G477N473-S475 VanDerWaalsContact C-N 3.26Å; N473-S475 PolarHBondContact O-N 2.92Å; S475-G477 PolarHBondContact O-N 3.24Å
476C24.4Very low23.5Very low128 Ų128148 Ų14887%0.86581%0.81SS**  trans-88.5101.4174.8-161.40000109.9L474L474-C476 PolarHBondContact O-N 3.04Å; L474-C476 VanDerWaalsContact O-N 3.08Å
477G24.2Very low23.7Very low67 Ų67146.7 Ų146.769%0.69182%0.815SS**  5395.3127.500000118.2S475S475-G477 PolarHBondContact O-N 3.24Å
478R21.1Very low23.4Very low233 Ų233145 Ų14588%0.87981%0.807SS**  trans-68130.7166.3-177.9-177.5-161.7173.96.1112
479M20.2Very low23.4Very low154 Ų154146.7 Ų146.776%0.75981%0.813SS**  trans38.4113.6150.4-65.2-178.2163.600119.5
480E23.1Very low23.3Very low191 Ų191146.9 Ų146.989%0.89381%0.81SS**  trans-115.4118.6138.5-78-175.5164.100109.5I482E480-I482 PolarHBondContact O-N 3.5Å
481S24.7Very low23.1Very low111 Ų111144.6 Ų144.678%0.77681%0.807SS**  trans-81.3105.2179.6-48.20000108.9N483S481-N483 PolarHBondContact O-N 3.39Å
482I26.7Very low23.2Very low165 Ų165142 Ų14285%0.84681%0.809SS**  trans-85.4115.7171.7-54.2177.4000108.1E480E480-I482 PolarHBondContact O-N 3.5Å
483N23.4Very low23Very low145 Ų145139.9 Ų139.978%0.77580%0.803SS**  trans-64.9124.6-170.3-163.5-5.4000112.5S481 K485S481-N483 PolarHBondContact O-N 3.39Å; N483-K485 PolarHBondContact O-N 3.13Å; N483-K485 VanDerWaalsContact O-N 3.07Å
484S22.6Very low23.1Very low111 Ų111139 Ų13978%0.77681%0.805SS**  trans-67.296.5171.8-44.30000110.1S486S484-S486 PolarHBondContact O-N 3.42Å
485K25.6Very low22.7Very low197 Ų197137.4 Ų137.486%0.85780%0.797SS**  trans-79.1114.8166.3-111.5178.3-178.9176.80109.8N483N483-K485 PolarHBondContact O-N 3.13Å; N483-K485 VanDerWaalsContact O-N 3.07Å
486S21.6Very low22.8Very low110 Ų110139.9 Ų139.977%0.76980%0.795SS**  trans-41.7125.2169.4-55.20000113.9S484S484-S486 PolarHBondContact O-N 3.42Å
487L22.1Very low22.7Very low176 Ų176142 Ų14292%0.92179%0.793SS**  trans-11098.4146.1-91.1103.2000107.7
488S18.4Very low22.7Very low96 Ų96146.5 Ų146.567%0.67180%0.799SS**  trans-88.7172.6153.552.30000108.7
489V21.6Very low22.8Very low128 Ų128141.2 Ų141.278%0.77679%0.792SS**  trans90.9114.9177.2-171.40000111.5
490T21Very low22.7Very low120 Ų120142 Ų14274%0.73679%0.794SS**  cis-161143.211.316.20000109.2
491S20.2Very low22.6Very low120 Ų120141.4 Ų141.484%0.83980%0.796SS**  trans-63126.6158.951.50000111
492S24.4Very low22.4Very low114 Ų114141 Ų14180%0.79779%0.789SS**  trans-129.9105.8162.750.70000108.7
493N22.1Very low22.2Very low137 Ų137140.4 Ų140.473%0.73379%0.788SS**  trans-90.7117.8174.2-169.39.2000107.9
494P27.3Very low22.1Very low120 Ų120141.5 Ų141.578%0.77979%0.788SS**  trans-97.687.5169.633.1-22.9000109
495N19.1Very low22.2Very low143 Ų143143.1 Ų143.177%0.76579%0.788SS**  trans-113.789.8155.5-97-27000107.2
496Q25.8Very low21.8Very low171 Ų171140.3 Ų140.380%0.79978%0.778SS**  trans-143.5108.2163.2-77.2-170.7-19.500107
497Q21.3Very low21.9Very low173 Ų173141.1 Ų141.181%0.80878%0.781SS**  79104.5103.1-83.2-177.6-24.800114.3
498I23.8Very low21.9Very low162 Ų162140.4 Ų140.483%0.83177%0.77SS**  trans-146.794.8136.4-60-171.3000106.1
499V23.3Very low22Very low121 Ų121140.7 Ų140.773%0.73377%0.772SS**  63.995.2106.7179.80000112.8
500Q18.8Very low22.2Very low170 Ų170142.7 Ų142.779%0.79477%0.773SS**  46.899.196.1-91.7-176.6-3.300114.9
501L21Very low22.3Very low179 Ų179145.3 Ų145.394%0.93777%0.774SS**  trans-123.4104.9148-83.2165.1000107.4
502T20.2Very low22.3Very low103 Ų103150.8 Ų150.863%0.63278%0.778SS**  trans-81.6138.5166.545.50000109.6
503N23.4Very low22.3Very low153 Ų153149 Ų14982%0.81878%0.778SS**  trans-176.595.2149-85.8-21.3000104.3
504E20.8Very low22.3Very low168 Ų168148.8 Ų148.879%0.78578%0.781SS**  57.5127.984.7-69.4-85.9121.400113.2
505D23.8Very low22.2Very low144 Ų144150 Ų15077%0.7778%0.78SS**  trans85.292.4165.8-61.5-30.3000121.9
506Q18.3Very low22.4Very low139 Ų139148.9 Ų148.965%0.6578%0.778SS**  -17.2145.8125.7-79.2-102.7-37.100114.6K508Q506-K508 VanDerWaalsContact OE1-CE 3.26Å
507P24.2Very low22.6Very low126 Ų126147.7 Ų147.782%0.81878%0.782SS**  -148.2171.666.936.9-15.5000117.9
508K21.1Very low22.7Very low162 Ų162144.2 Ų144.270%0.70478%0.778SS**  trans-62.8150-176.8-65.1149.2176.4171.80114.6Q506Q506-K508 VanDerWaalsContact OE1-CE 3.26Å
509S21.4Very low23.1Very low101 Ų101142 Ų14271%0.70678%0.776SS**  trans60.5112.6140.866.90000119.7
510Q24.7Very low23.4Very low171 Ų171142.3 Ų142.380%0.79978%0.778SS**  169.2129.8108.7-96.9173.3-16.400112.6
511K22.6Very low24.1Very low175 Ų175142.4 Ų142.476%0.76178%0.779SS**  trans45.6116.6137.4-67.1-176.9178.3-179.80120.5
512Y21.9Very low24.5Very low235 Ų235141.3 Ų141.392%0.92277%0.774SS**  trans50110.9142.2-67.7-83.1000119.2
513G24.1Very low25Very low77 Ų77143.6 Ų143.679%0.79478%0.781SS**  trans177.8103.3163.700000113.1
514T21.1Very low25.2Very low131 Ų131143.3 Ų143.380%0.80478%0.778SS**  trans-49.1140.5170.5-500000113.5
515I26.5Very low25.5Very low147 Ų147139.8 Ų139.875%0.75477%0.772SS**  166.6115.1125.2-80.6158.9000110.5
516V22.1Very low25.5Very low119 Ų119137.7 Ų137.772%0.72177%0.767SS**  trans27.2113.4135.4-168.10000118.8
517T29.3Very low26Very low145 Ų145138.4 Ų138.489%0.8978%0.775SS**  -140.6124.7126.641.70000110.6
518S24Very low26.4Very low101 Ų101137.7 Ų137.771%0.70677%0.769SS**  trans-64.1134.3177.446.40000114
519S33.5Very low26.9Very low115 Ų115136.5 Ų136.580%0.80478%0.775SS**  trans-140.591.8142.8-169.90000107.8Q521S519-Q521 PolarHBondContact O-N 3.18Å
520T28.8Very low27.5Very low127 Ų127136.2 Ų136.278%0.77977%0.769SS**  trans-69.8102.7176.632.30000109.9
521Q33.2Very low27.9Very low172 Ų172134.1 Ų134.180%0.80476%0.763SS**  trans-99.2116.5153.3-74.4-174.6-10.800107.8S519 I523S519-Q521 PolarHBondContact O-N 3.18Å; Q521-I523 PolarHBondContact O-N 2.92Å
522N28.9Very low28.8Very low157 Ų157133.4 Ų133.484%0.8477%0.767SS**  trans-54.397-178.2-76.7-34.6000111.5I524N522-I524 PolarHBondContact O-N 2.99Å
523I30.7Very low29.7Very low151 Ų151129.5 Ų129.577%0.77476%0.757SS**  trans-77.2106.2161.8-61.7173.3000106Q521 S525Q521-I523 PolarHBondContact O-N 2.92Å; I523-S525 VanDerWaalsContact C-N 3.26Å; I523-S525 PolarHBondContact O-N 3.31Å
524I28.3Very low30.3Very low147 Ų147129.5 Ų129.575%0.75474%0.742SS**  trans-62.395.6164.6-64.4172.8000106.5N522 C526N522-I524 PolarHBondContact O-N 2.99Å; I524-C526 VanDerWaalsContact C-N 3.31Å; I524-C526 PolarHBondContact O-N 3.27Å
525S26Very low31.2Very low93 Ų93126.3 Ų126.365%0.6572%0.722SS**  trans-65.290.5169.4-85.20000109.2I523 N527I523-S525 VanDerWaalsContact C-N 3.26Å; I523-S525 PolarHBondContact O-N 3.31Å; S525-N527 PolarHBondContact O-N 3.49Å; S525-N527 VanDerWaalsContact O-N 3.13Å
526C25.4Very low32Very low101 Ų101122.4 Ų122.468%0.68271%0.708SS**  trans-71.299.2157-72.30000107.4I524 V528I524-C526 VanDerWaalsContact C-N 3.31Å; I524-C526 PolarHBondContact O-N 3.27Å; C526-V528 PolarHBondContact O-N 3.41Å
527N27.5Very low32.5Very low153 Ų153126.1 Ų126.182%0.81871%0.709SS**  trans-63.279.3168.1-78.2-23.8000109.6S525 T529S525-N527 PolarHBondContact O-N 3.49Å; S525-N527 VanDerWaalsContact O-N 3.13Å; N527-T529 PolarHBondContact O-N 2.98Å
528V33.9Very low33Very low112 Ų112127.8 Ų127.868%0.67970%0.699SS**  trans-75.1112.2163179.90000105.5C526 T530C526-V528 PolarHBondContact O-N 3.41Å; V528-T530 PolarHBondContact O-N 2.87Å
529T31.7Very low34Very low136 Ų136128.2 Ų128.283%0.83469%0.693SS**  trans-58.489.3170.3100000108.7N527 N531N527-T529 PolarHBondContact O-N 2.98Å; T529-N531 PolarHBondContact O-N 3.4Å
530T33.5Very low34.4Very low96 Ų96127 Ų12759%0.58968%0.678SS**  trans-70.5113.1176.529.70000109V528V528-T530 PolarHBondContact O-N 2.87Å
531N33Very low35Very low126 Ų126126.7 Ų126.767%0.67467%0.668SS**  trans-61.5140.9168.4-73.3-58.1000109.5T529 H533 T534T529-N531 PolarHBondContact O-N 3.4Å; N531-H533 PolarHBondContact O-N 2.92Å; N531-T534 PolarHBondContact O-N 2.94Å; N531-T534 PolarHBondContact O-OG1 3.01Å
532L42.1Very low35.5Very low160 Ų160123 Ų12384%0.83866%0.661SS**Hα-helixtrans-48.4-28.5179-91.790.9000114T534 T535L532-T534 VanDerWaalsContact C-N 3.29Å; L532-T534 PolarHBondContact O-N 3.41Å; L532-T535 PolarHBondContact O-N 2.92Å
533H39.3Very low36.4Very low154 Ų154119.7 Ų119.771%0.71365%0.646SS**Hα-helixtrans-71.4-20.6-178.8-124.8-64.5000114.1N531N531-H533 PolarHBondContact O-N 2.92Å
534T38Very low36.9Very low77 Ų77118.5 Ų118.547%0.47264%0.637SS.*Hα-helixtrans-90.3-26.5176.626.60000113N531 L532 W537N531-T534 PolarHBondContact O-N 2.94Å; N531-T534 PolarHBondContact O-OG1 3.01Å; L532-T534 VanDerWaalsContact C-N 3.29Å; L532-T534 PolarHBondContact O-N 3.41Å; T534-W537 PolarHBondContact O-N 3.17Å
535T38.8Very low37.7Very low64 Ų64122.7 Ų122.739%0.39364%0.643SS.*Hα-helixtrans-69-42.5177.5-42.60000111.1L532 W537 R538 D539L532-T535 PolarHBondContact O-N 2.92Å; T535-W537 PolarHBondContact O-N 3.11Å; T535-W537 VanDerWaalsContact O-N 3.08Å; T535-R538 PolarHBondContact O-N 3.31Å; T535-R538 VanDerWaalsContact O-N 3.16Å; T535-D539 PolarHBondContact O-N 3.24Å
536S44.5Very low38.3Very low65 Ų65126 Ų12646%0.45565%0.646SS.*Hα-helixtrans-59-22.2176.5163.20000114.7N540S536-N540 PolarHBondContact O-ND2 3.44Å
537W31.8Very low39.2Very low196 Ų196129.6 Ų129.674%0.74265%0.646SS**Hα-helixtrans-87.1-34.4178.5-77.573.2000112.6T534 T535 N540T534-W537 PolarHBondContact O-N 3.17Å; T535-W537 PolarHBondContact O-N 3.11Å; T535-W537 VanDerWaalsContact O-N 3.08Å; W537-N540 PolarHBondContact O-N 3.23Å
538R39.1Very low39.8Very low180 Ų180128.7 Ų128.768%0.67963%0.634SS**Hα-helixtrans-71.1-33.2-179.9-71.8-163.4-177.7-92.14.9112.5T535 N540 E541T535-R538 PolarHBondContact O-N 3.31Å; T535-R538 VanDerWaalsContact O-N 3.16Å; R538-N540 PolarHBondContact O-N 3.45Å; R538-E541 PolarHBondContact O-N 3.38Å
539D44.9Very low39.9Very low110 Ų110129.4 Ų129.459%0.58864%0.641SS**THydrogen-bonded Turntrans-72-12.5179-61.1-25.1000113.2T535T535-D539 PolarHBondContact O-N 3.24Å
540N43.9Very low40.5Very low89 Ų89129.6 Ų129.648%0.47664%0.636SS.*THydrogen-bonded Turntrans-104.1-1.6-178-76.7-31.7000114.4S536 W537 R538 S542 V543 H544S536-N540 PolarHBondContact O-ND2 3.44Å; W537-N540 PolarHBondContact O-N 3.23Å; R538-N540 PolarHBondContact O-N 3.45Å; N540-S542 VanDerWaalsContact C-N 3.32Å; N540-S542 PolarHBondContact O-N 2.83Å; N540-V543 PolarHBondContact O-N 3.11Å; N540-V543 VanDerWaalsContact O-N 3.13Å; N540-H544 PolarHBondContact O-N 3.43Å
541E40.8Very low41Very low122 Ų122129.4 Ų129.457%0.5763%0.631SS**G310 helixtrans-64.8-37.7178.7-165.2168.6-167.300111.3R538 V543R538-E541 PolarHBondContact O-N 3.38Å; E541-V543 VanDerWaalsContact C-N 3.32Å; E541-V543 PolarHBondContact O-N 3.45Å
542S42.9Very low41.7Very low93 Ų93127.4 Ų127.465%0.6563%0.625SS**G310 helixtrans-79.1-7.6173.6380000114.6N540N540-S542 VanDerWaalsContact C-N 3.32Å; N540-S542 PolarHBondContact O-N 2.83Å
543V48.2Very low42.3Very low88 Ų88125.9 Ų125.953%0.53362%0.618SS.*G310 helixtrans-96.5-14.8177.8-171.40000111.5N540 E541 R545N540-V543 PolarHBondContact O-N 3.11Å; N540-V543 VanDerWaalsContact O-N 3.13Å; E541-V543 VanDerWaalsContact C-N 3.32Å; E541-V543 PolarHBondContact O-N 3.45Å; V543-R545 PolarHBondContact O-N 2.87Å
544H40.9Very low43.2Very low127 Ų127125.6 Ų125.659%0.58862%0.617SS**SBendtrans-71.3125.2-174.9-142.1-88.3000111.7N540 F546 W547N540-H544 PolarHBondContact O-N 3.43Å; H544-F546 PolarHBondContact O-N 3.03Å; H544-W547 PolarHBondContact O-N 3.38Å
545R44.4Very low44.1Very low235 Ų235131.1 Ų131.189%0.88763%0.63SS**THydrogen-bonded Turntrans-46.7-26.7-174-177.9176.8176.9-126.40.8115.9V543 W547V543-R545 PolarHBondContact O-N 2.87Å; R545-W547 VanDerWaalsContact C-N 3.33Å
546F40.5Very low44.5Very low161 Ų161133.7 Ų133.771%0.70664%0.642SS**THydrogen-bonded Turntrans-75.3-22.6-179-152.6-91.6000113.3H544H544-F546 PolarHBondContact O-N 3.03Å
547W44.4Very low44.9Very low178 Ų178139.9 Ų139.967%0.67466%0.655SS**SBendtrans-104.4-3.1-175.2-56.7113.4000113.9H544 R545 P549H544-W547 PolarHBondContact O-N 3.38Å; R545-W547 VanDerWaalsContact C-N 3.33Å; W547-P549 WeakPolarHBondContact O-CD 3.29Å
548K39.2Very low45.4Very low134 Ų134135.2 Ų135.258%0.58365%0.65SS**SBendtrans-74.8125169.2-76-168.5175.7-173.10109.1I550K548-I550 PolarHBondContact O-N 3.17Å
549P36.9Very low46.1Very low127 Ų127134.7 Ų134.783%0.82565%0.653SS**PPolyproline II helixtrans-52126.7159.3-21.933.6000108.1W547 D551W547-P549 WeakPolarHBondContact O-CD 3.29Å; P549-D551 PolarHBondContact O-N 3.01Å; P549-D551 VanDerWaalsContact O-N 3.17Å
550I42.8Very low46.3Very low140 Ų140136.9 Ų136.972%0.71866%0.659SS**PPolyproline II helixtrans-60.3117.4-175-67.8154.7000108K548 P552K548-I550 PolarHBondContact O-N 3.17Å; I550-P552 WeakPolarHBondContact O-CD 3.1Å
551D44.7Very low46.8Very low91 Ų91141.9 Ų141.949%0.48767%0.673SS.*PPolyproline II helixtrans-68.1116.2169.1-170.1-19.6000107.6P549 D553 E554P549-D551 PolarHBondContact O-N 3.01Å; P549-D551 VanDerWaalsContact O-N 3.17Å; D551-D553 PolarHBondContact O-N 3.43Å; D551-D553 VanDerWaalsContact O-N 3.13Å; D551-D553 PolarHBondContact OD1-N 2.93Å; D551-E554 HydrophobicContact CB-CB 4.46Å; D551-E554 PolarHBondContact O-N 3.41Å
552P48.6Very low47.1Very low85 Ų85140.4 Ų140.455%0.55267%0.669SS**Hα-helixtrans-59-25.1-174.921.2-31.6000113.2I550 E554 Y555 N556I550-P552 WeakPolarHBondContact O-CD 3.1Å; P552-E554 VanDerWaalsContact C-N 3.33Å; P552-Y555 PolarHBondContact O-N 3.4Å; P552-N556 PolarHBondContact O-ND2 2.98Å
553D53.6Low47.1Very low128 Ų128142 Ų14268%0.68467%0.67SS**Hα-helixtrans-74.5-24.5179.6-67.6-20.1000112.5D551D551-D553 PolarHBondContact O-N 3.43Å; D551-D553 VanDerWaalsContact O-N 3.13Å; D551-D553 PolarHBondContact OD1-N 2.93Å
554E57.7Low47.1Very low147 Ų147142.1 Ų142.169%0.68767%0.674SS**Hα-helixtrans-77.4-28.5178-154175.8-150.100111.8D551 P552D551-E554 HydrophobicContact CB-CB 4.46Å; D551-E554 PolarHBondContact O-N 3.41Å; P552-E554 VanDerWaalsContact C-N 3.33Å
555Y57.9Low47.2Very low194 Ų194139.3 Ų139.376%0.76167%0.673SS**Hα-helixtrans-72.4-32.5177.3-174-97.7000112.8P552P552-Y555 PolarHBondContact O-N 3.4Å
556N47.1Very low46.8Very low118 Ų118134.3 Ų134.363%0.63166%0.663SS**THydrogen-bonded Turntrans-88.51.8-174.9-68.1-34.7000114.1P552 P558P552-N556 PolarHBondContact O-ND2 2.98Å; N556-P558 WeakPolarHBondContact O-CD 3.44Å
557R52.1Low46.5Very low195 Ų195130.8 Ų130.874%0.73666%0.658SS**SBendtrans-73.6124.9178.9-170.1177.8-81.7165.6-4.1110.9
558P42Very low45.9Very low98 Ų98133.5 Ų133.564%0.63667%0.668SS**  trans-58.7139.6179.6-26.135.5000113.7N556 E560N556-P558 WeakPolarHBondContact O-CD 3.44Å; P558-E560 VanDerWaalsContact C-N 3.25Å; P558-E560 PolarHBondContact O-N 3.3Å
559K55.1Low45.4Very low168 Ų168136 Ų13673%0.7368%0.68SS**  trans-81.545.6-172.5-73.1175.5175.4171.90114Y561 L562K559-Y561 PolarHBondContact O-N 2.9Å; K559-L562 HydrophobicContact CB-CD1 4.27Å; K559-L562 HydrophobicContact CD-CD1 3.98Å; K559-L562 HydrophobicContact CG-CD1 4.5Å; K559-L562 PolarHBondContact O-N 3.34Å
560E49.5Very low45Very low156 Ų156135.2 Ų135.273%0.72968%0.677SS**THydrogen-bonded Turntrans-61.5-18.6178.6-69.1175.717800113.1P558 L562P558-E560 VanDerWaalsContact C-N 3.25Å; P558-E560 PolarHBondContact O-N 3.3Å; E560-L562 VanDerWaalsContact C-N 3.31Å; E560-L562 PolarHBondContact O-N 3.06Å
561Y54Low44.3Very low195 Ų195134.5 Ų134.577%0.76568%0.68SS**Hα-helixtrans-70.8-20.6179.6-167.8-98.5000114.3K559K559-Y561 PolarHBondContact O-N 2.9Å
562L46.4Very low43.7Very low91 Ų91137.6 Ų137.648%0.47670%0.696SS.*Hα-helixtrans-78.4-30.4-176.8-74.2173.4000113.3K559 E560 S564 A565 I566K559-L562 HydrophobicContact CB-CD1 4.27Å; K559-L562 HydrophobicContact CD-CD1 3.98Å; K559-L562 HydrophobicContact CG-CD1 4.5Å; K559-L562 PolarHBondContact O-N 3.34Å; E560-L562 VanDerWaalsContact C-N 3.31Å; E560-L562 PolarHBondContact O-N 3.06Å; L562-S564 VanDerWaalsContact C-N 3.28Å; L562-S564 PolarHBondContact O-N 2.89Å; L562-A565 PolarHBondContact O-N 3.4Å; L562-I566 PolarHBondContact O-N 3.3Å
563D43.7Very low43Very low126 Ų126140.9 Ų140.967%0.67471%0.709SS**Hα-helixtrans-70.2-29.3-179.8-66.2-22.7000111.7A565D563-A565 VanDerWaalsContact C-N 3.34Å; D563-A565 PolarHBondContact O-N 2.91Å
564S46.6Very low41.8Very low90 Ų90140.7 Ų140.763%0.62971%0.713SS**Hα-helixtrans-71.6-25.9175.9-62.80000113.4L562L562-S564 VanDerWaalsContact C-N 3.28Å; L562-S564 PolarHBondContact O-N 2.89Å
565A43.3Very low40.3Very low69 Ų69141.4 Ų141.457%0.5772%0.716SS**Hα-helixtrans-87.1-20.3-177.900000113.3L562 D563L562-A565 PolarHBondContact O-N 3.4Å; D563-A565 VanDerWaalsContact C-N 3.34Å; D563-A565 PolarHBondContact O-N 2.91Å
566I37.7Very low38.7Very low129 Ų129136.7 Ų136.766%0.66271%0.71SS**Hα-helixtrans-96.1-17.8-176.1-59.8173.3000111.7L562 W568L562-I566 PolarHBondContact O-N 3.3Å; I566-W568 VanDerWaalsContact C-N 3.31Å; I566-W568 PolarHBondContact O-N 3.18Å; I566-W568 VanDerWaalsContact O-N 3.13Å
567S33.9Very low37.7Very low88 Ų88137.5 Ų137.562%0.61572%0.724SS**THydrogen-bonded Turntrans-86.139.6-179.1-172.90000115.1
568W31.3Very low36.5Very low234 Ų234136.7 Ų136.789%0.88673%0.728SS**THydrogen-bonded Turntrans-109.514.4172.6-94.930.5000114.3I566I566-W568 VanDerWaalsContact C-N 3.31Å; I566-W568 PolarHBondContact O-N 3.18Å; I566-W568 VanDerWaalsContact O-N 3.13Å
569F28.4Very low36.4Very low186 Ų186136.6 Ų136.682%0.81673%0.727SS**SBendtrans-128.7127.2167.9-66-76.7000110.5
570S27.8Very low35.3Very low111 Ų111136.8 Ų136.878%0.77674%0.737SS**  trans90.9116.3-173.1-42.80000111.4
571T29.4Very low34.1Very low125 Ų125135.3 Ų135.377%0.76773%0.732SS**  cis-152.1156.63237.10000111.8D573T571-D573 PolarHBondContact O-N 3.47Å
572N31.4Very low32.8Very low156 Ų156133.8 Ų133.883%0.83473%0.732SS**  trans-41.8126.5163.5-65.3-32.3000112.2
573D33.2Very low32Very low155 Ų155134.1 Ų134.183%0.82974%0.742SS**  trans-133.293.3152.2-89.6-34.7000109T571 Q575T571-D573 PolarHBondContact O-N 3.47Å; D573-Q575 PolarHBondContact O-N 2.95Å
574T28.7Very low31.1Very low124 Ų124137.2 Ų137.276%0.76175%0.752SS**  trans-65.7107.3144.4-58.80000106.8
575Q27.8Very low30.5Very low162 Ų162138.6 Ų138.676%0.75776%0.762SS**  trans-161.8126.9142.4-156.167.25.100111.7D573D573-Q575 PolarHBondContact O-N 2.95Å
576C23.1Very low29.8Very low94 Ų94139.7 Ų139.764%0.63577%0.771SS**  trans-39.2136.8167.5-51.90000115.2
577C26.7Very low29.5Very low136 Ų136141.6 Ų141.692%0.91978%0.782SS**  trans-121.3116.9147.6-76.70000109.1
578H27.2Very low29.1Very low178 Ų178143.4 Ų143.482%0.82479%0.79SS**PPolyproline II helixtrans-68.8171.7176.4-110.9-96.7000112.3
579P39Very low29.2Very low95 Ų95140.6 Ų140.662%0.61779%0.791SS**PPolyproline II helixtrans-94.2151-149.737-35.8000113.5
580N31.3Very low29.1Very low173 Ų173139.2 Ų139.293%0.92579%0.787SS**PPolyproline II helixtrans-99128.4160.6-107.1-24.3000110.5
581I25.8Very low29Very low125 Ų125141.8 Ų141.864%0.64179%0.785SS**PPolyproline II helixtrans-82.5138.3-173.6-52.9169.9000108.2
582H25.2Very low29.2Very low163 Ų163142.7 Ų142.776%0.75579%0.791SS**  157.5137.4119.5-87.8-69.7000114.8
583S30.2Very low29.1Very low98 Ų98143.1 Ų143.169%0.68579%0.785SS**  trans80.295.5151.8-57.80000116.5
584E24.3Very low29.3Very low190 Ų190143.8 Ų143.889%0.88879%0.789SS**  63.29583-74.8-173.9161.800113.7
585S34.7Very low29.3Very low119 Ų119145.4 Ų145.483%0.83279%0.788SS**  trans-161109.1134.556.50000107.9
586A27.9Very low29.8Very low93 Ų93145.5 Ų145.577%0.76979%0.792SS**  trans-67.8126169.100000109
587D32Very low30.1Very low168 Ų168148.3 Ų148.390%0.89879%0.793SS**  trans-137.6113.3151.7-109.5-25.5000109.2
588T25.8Very low30.2Very low126 Ų126149.3 Ų149.377%0.77379%0.789SS**  trans-69.2119.2-178.2-50.30000109
589L32.6Very low30.5Very low175 Ų175147.4 Ų147.492%0.91678%0.783SS**  trans-131.5120.1160.6-127.7158.5000109.7
590E27.8Very low30.1Very low157 Ų157149.9 Ų149.973%0.73479%0.792SS**  trans-69.2141.8-163.5-67.3172.6130.100114.4
591F24.7Very low30.2Very low166 Ų166149.2 Ų149.273%0.72878%0.781SS**  trans31113.3135.9-72.5-86.1000119.4K593F591-K593 HydrophobicContact CD1-CG 4.16Å
592T34.2Very low30.7Very low144 Ų144149.2 Ų149.288%0.88379%0.787SS**  -130.8110.8122.152.60000110.2N594T592-N594 PolarHBondContact O-N 3.41Å
593K29.4Very low31.2Very low165 Ų165145.9 Ų145.972%0.71778%0.778SS**  trans-49122.9167.7-67167176.1172.80110.3F591F591-K593 HydrophobicContact CD1-CG 4.16Å
594N36.7Very low31.7Very low169 Ų169144.8 Ų144.890%0.90478%0.775SS**  trans-151.780.4137.2-89.9-16.2000107T592 I596T592-N594 PolarHBondContact O-N 3.41Å; N594-I596 PolarHBondContact O-N 2.9Å
595E28.9Very low32.8Very low158 Ų158140.7 Ų140.774%0.73877%0.765SS**  trans-73.4106.2170.2-173.8-175.1-179.700108.5
596I37.2Very low33.7Very low164 Ų164145 Ų14584%0.84176%0.763SS**  trans-133.1107.9149.3-60-177000108N594N594-I596 PolarHBondContact O-N 2.9Å
597K29.8Very low35.6Very low152 Ų152148.1 Ų148.166%0.66176%0.761SS**  trans-35.5141.2168.2-67.6164.2175.4177.20115.6I599K597-I599 PolarHBondContact O-N 3.49Å
598D30Very low37.9Very low157 Ų157143.2 Ų143.284%0.8474%0.735SS**  trans18.496.6137.3-58.2-35.6000116.5
599I33.3Very low40.9Very low138 Ų138141.3 Ų141.371%0.70872%0.716SS**  trans-133.1100.4145.3-53.8179.5000107.4K597 F601K597-I599 PolarHBondContact O-N 3.49Å; I599-F601 VanDerWaalsContact C-N 3.28Å; I599-F601 HydrophobicContact CG2-CD2 3.45Å; I599-F601 VanDerWaalsContact CG2-CD2 3.45Å; I599-F601 HydrophobicContact CG2-CE2 3.79Å; I599-F601 PolarHBondContact O-N 3.37Å
600D30.1Very low43.7Very low147 Ų147133 Ų13379%0.78667%0.672SS**  trans-49.593155.9-171.512.7000109.2
601F34.2Very low46.7Very low159 Ų159127.5 Ų127.570%0.69765%0.645SS**  trans-117.4103152.9-94.3-79.7000106.6I599 V603I599-F601 VanDerWaalsContact C-N 3.28Å; I599-F601 HydrophobicContact CG2-CD2 3.45Å; I599-F601 VanDerWaalsContact CG2-CD2 3.45Å; I599-F601 HydrophobicContact CG2-CE2 3.79Å; I599-F601 PolarHBondContact O-N 3.37Å; F601-V603 HydrophobicContact CB-CG2 3.6Å; F601-V603 HydrophobicContact CG-CG2 4.41Å; F601-V603 PolarHBondContact O-N 3.24Å
602T35.1Very low49.9Very low125 Ų125119.9 Ų119.977%0.76761%0.612SS**  trans-47.875.113852.40000109.5A604T602-A604 VanDerWaalsContact C-N 3.3Å; T602-A604 PolarHBondContact O-N 2.88Å
603V37.3Very low52.5Low94 Ų94116.9 Ų116.957%0.5760%0.595SS**  trans-74.993169.2-175.40000105.4F601F601-V603 HydrophobicContact CB-CG2 3.6Å; F601-V603 HydrophobicContact CG-CG2 4.41Å; F601-V603 PolarHBondContact O-N 3.24Å
604A39.8Very low55.3Low75 Ų75111.9 Ų111.962%0.6258%0.576SS**  trans-44130.1165.400000108.6T602 R606T602-A604 VanDerWaalsContact C-N 3.3Å; T602-A604 PolarHBondContact O-N 2.88Å; A604-R606 PolarHBondContact O-N 3.46Å
605P47.5Very low57.4Low104 Ų104113 Ų11368%0.67558%0.581SS**  trans-57.3108.8-175.321.5-31000107.8Q607P605-Q607 PolarHBondContact O-N 3.22Å
606R52.7Low59.9Low209 Ų209110 Ų11079%0.78958%0.577SS**  trans-62.1106-176.4-72.2-177.6173.7179.5-1.3107.6A604 L608A604-R606 PolarHBondContact O-N 3.46Å; R606-L608 PolarHBondContact O-N 3.19Å
607Q68.7Low62Low158 Ų158105.3 Ų105.374%0.73857%0.57SS**  trans-65.377.7172.9-73.1-179.6-1.500109.2P605 C623P605-Q607 PolarHBondContact O-N 3.22Å; Q607-C623 WeakPolarHBondContact CA-SG 3.33Å; Q607-C623 VanDerWaalsContact CB-SG 3.51Å
608L80.2Confident64.9Low65 Ų65100.8 Ų100.834%0.3456%0.557SS.*  trans-79.6129.1172-72.7166.1000108.3R606 C623 I635 K637R606-L608 PolarHBondContact O-N 3.19Å; L608-C623 PolarHBondContact O-SG 2.93Å; L608-I635 HydrophobicContact CB-CG2 3.6Å; L608-I635 WeakPolarHBondContact O-CG2 3.28Å; L608-K637 HydrophobicContact CD2-CB 4.14Å; L608-K637 HydrophobicContact CD2-CG 4.13Å
609F88.6Confident67.7Low87 Ų8794.3 Ų94.338%0.38252%0.523SS..  trans-74.8145.8167.7-69.7-85000109.9W611 H621 C623F609-W611 HydrophobicContact CB-CD2 3.99Å; F609-W611 HydrophobicContact CB-CG 4.08Å; F609-W611 HydrophobicContact CB-CZ2 3.96Å; F609-W611 VanDerWaalsContact CB-NE1 3.33Å; F609-W611 HydrophobicContact CD2-CZ2 4.01Å; F609-W611 HydrophobicContact CG-CZ2 4.27Å; F609-W611 AromaticContact CG-NE1 3.91Å; F609-H621 VanDerWaalsContact CD1-O 3.27Å; F609-H621 WeakPolarHBondContact CD1-O 3.24Å; F609-C623 HydrophobicContact CD1-CB 3.78Å; F609-C623 HydrophobicContact CE1-CB 3.87Å; F609-C623 HydrophobicContact CG-CB 4.31Å; F609-C623 HydrophobicContact CZ-CB 4.47Å
610C90.7Very high70.5Confident0 Ų088.1 Ų88.10%049%0.491CS..  trans-60.2-50.3-178.7-177.80000111.5A612 C620 R622 C629 H632 I635 R638C610-A612 PolarHBondContact O-N 3.1Å; C610-C620 HydrophobicContact CB-CB 3.94Å; C610-C620 VanDerWaalsContact CB-SG 3.6Å; C610-R622 VanDerWaalsContact CB-O 3.31Å; C610-R622 WeakPolarHBondContact CB-O 3.43Å; C610-R622 PolarHBondContact N-O 3.49Å; C610-C629 HydrophobicContact CB-CB 4.22Å; C610-H632 PolarHBondContact SG-ND1 3.42Å; C610-H632 VanDerWaalsContact SG-ND1 3.4Å; C610-I635 HydrophobicContact CB-CD1 4.46Å; C610-I635 HydrophobicContact CB-CG1 4.26Å; C610-R638 VanDerWaalsContact O-CD 3.25Å; C610-R638 WeakPolarHBondContact O-CD 3.32Å; C610-R638 PolarHBondContact O-NH1 3.01Å
611W92.7Very high73.3Confident42 Ų4287.7 Ų87.716%0.15949%0.485CS..  trans46.522-177.3-63.9-23.7000115.7F609 L619 C620 R638 K640 G643F609-W611 HydrophobicContact CB-CD2 3.99Å; F609-W611 HydrophobicContact CB-CG 4.08Å; F609-W611 HydrophobicContact CB-CZ2 3.96Å; F609-W611 VanDerWaalsContact CB-NE1 3.33Å; F609-W611 HydrophobicContact CD2-CZ2 4.01Å; F609-W611 HydrophobicContact CG-CZ2 4.27Å; F609-W611 AromaticContact CG-NE1 3.91Å; W611-L619 HydrophobicContact CB-CD1 4.36Å; W611-C620 VanDerWaalsContact CA-O 3.27Å; W611-C620 WeakPolarHBondContact CA-O 3.34Å; W611-C620 PolarHBondContact N-O 2.7Å; W611-R638 VanDerWaalsContact C-CD 3.48Å; W611-R638 HydrophobicContact CB-CB 3.97Å; W611-R638 HydrophobicContact CE3-CB 4.45Å; W611-R638 VanDerWaalsContact CZ3-O 3.28Å; W611-R638 WeakPolarHBondContact CZ3-O 3.31Å; W611-R638 VanDerWaalsContact O-CD 3.28Å; W611-R638 WeakPolarHBondContact O-CD 3.42Å; W611-K640 HydrophobicContact CD2-CG 4.28Å; W611-K640 HydrophobicContact CE3-CG 3.96Å; W611-K640 HydrophobicContact CH2-CD 3.9Å; W611-K640 HydrophobicContact CH2-CG 3.36Å; W611-K640 HydrophobicContact CZ2-CD 4.16Å; W611-K640 HydrophobicContact CZ2-CG 3.66Å; W611-K640 HydrophobicContact CZ3-CD 4.44Å; W611-K640 HydrophobicContact CZ3-CG 3.49Å; W611-K640 VanDerWaalsContact CZ3-CG 3.49Å; W611-G643 WeakPolarHBondContact O-CA 3.37Å
612A91.1Very high75.9Confident5 Ų586.2 Ų86.24%0.04147%0.474CS..PPolyproline II helixtrans-67.9139.7171.100000109.8C610 L614 C620 H632C610-A612 PolarHBondContact O-N 3.1Å; A612-L614 PolarHBondContact O-N 2.95Å; A612-C620 HydrophobicContact CB-CB 4.42Å; A612-C620 WeakPolarHBondContact O-CB 3.29Å; A612-C620 PolarHBondContact O-N 3.11Å; A612-H632 HydrophobicContact CB-CB 3.85Å; A612-H632 VanDerWaalsContact CB-CG 3.5Å
613P89.4Confident78.3Confident81 Ų8182.1 Ų82.153%0.52645%0.45SS..BIsolated β-bridgetrans-66.2133.1178.127.3-33.7000111.1L619P613-L619 HydrophobicContact CB-CD2 4.14Å
614L87.9Confident80.5Confident60 Ų6079.5 Ų79.531%0.31443%0.433SS..PPolyproline II helixtrans-93.5161.1176.6-65.6154.4000110.2A612 S616 G617 S618A612-L614 PolarHBondContact O-N 2.95Å; L614-S616 PolarHBondContact O-N 3.32Å; L614-G617 PolarHBondContact O-N 3.21Å; L614-S618 VanDerWaalsContact CB-O 3.28Å; L614-S618 WeakPolarHBondContact CB-O 3.43Å; L614-S618 VanDerWaalsContact CD1-OG 3.28Å; L614-S618 WeakPolarHBondContact CD1-OG 3.46Å; L614-S618 PolarHBondContact N-O 2.83Å
615L80.2Confident82.5Confident193 Ų19382.1 Ų82.1100%1.0144%0.444SS*.THydrogen-bonded Turntrans-60.8-23.8174.9-69.4167.8000113.2G617L615-G617 PolarHBondContact O-N 3.42Å
616S82.6Confident84.2Confident94 Ų9481.3 Ų81.366%0.65744%0.44SS*.THydrogen-bonded Turntrans-75.5-4.8175.258.80000114.1L614 S618L614-S616 PolarHBondContact O-N 3.32Å; S616-S618 VanDerWaalsContact C-N 3.28Å; S616-S618 PolarHBondContact O-N 2.84Å; S616-S618 PolarHBondContact OG-OG 3.18Å
617G81.3Confident85.7Confident67 Ų6773 Ų7369%0.69142%0.419SS*.SBendtrans86.1-13.1-172.900000114.6L614 L615L614-G617 PolarHBondContact O-N 3.21Å; L615-G617 PolarHBondContact O-N 3.42Å
618S88.9Confident86.6Confident56 Ų5673.3 Ų73.339%0.39241%0.414SS..  trans-79.3166.2174.7640000113L614 S616L614-S618 VanDerWaalsContact CB-O 3.28Å; L614-S618 WeakPolarHBondContact CB-O 3.43Å; L614-S618 VanDerWaalsContact CD1-OG 3.28Å; L614-S618 WeakPolarHBondContact CD1-OG 3.46Å; L614-S618 PolarHBondContact N-O 2.83Å; S616-S618 VanDerWaalsContact C-N 3.28Å; S616-S618 PolarHBondContact O-N 2.84Å; S616-S618 PolarHBondContact OG-OG 3.18Å
619L90.5Very high87Confident22 Ų2270.3 Ų70.312%0.11540%0.398CS..BIsolated β-bridgetrans-99.4146.4176.3-59.5-173.7000112.1W611 P613 H621 K640W611-L619 HydrophobicContact CB-CD1 4.36Å; P613-L619 HydrophobicContact CB-CD2 4.14Å; L619-H621 PolarHBondContact O-CD2 3.32Å; L619-H621 PolarHBondContact O-N 2.84Å; L619-H621 PolarHBondContact O-NE2 3.01Å; L619-K640 WeakPolarHBondContact CD1-O 3.34Å
620C91.1Very high86.7Confident7 Ų771 Ų715%0.04741%0.412CS..  trans-68.7115.6179.7-177.70000112.4C610 W611 A612 R622 H632C610-C620 HydrophobicContact CB-CB 3.94Å; C610-C620 VanDerWaalsContact CB-SG 3.6Å; W611-C620 VanDerWaalsContact CA-O 3.27Å; W611-C620 WeakPolarHBondContact CA-O 3.34Å; W611-C620 PolarHBondContact N-O 2.7Å; A612-C620 HydrophobicContact CB-CB 4.42Å; A612-C620 WeakPolarHBondContact O-CB 3.29Å; A612-C620 PolarHBondContact O-N 3.11Å; C620-R622 VanDerWaalsContact C-N 3.34Å; C620-R622 PolarHBondContact O-N 2.91Å; C620-H632 VanDerWaalsContact CB-CE1 3.47Å; C620-H632 WeakPolarHBondContact CB-CE1 3.32Å; C620-H632 PolarHBondContact SG-CE1 3.38Å; C620-H632 PolarHBondContact SG-ND1 3.41Å
621H89.5Confident86.4Confident139 Ų13976.2 Ų76.264%0.64444%0.438SS*.  trans-88.110.5178.2-63.7-76.7000114.8F609 L619 C623F609-H621 VanDerWaalsContact CD1-O 3.27Å; F609-H621 WeakPolarHBondContact CD1-O 3.24Å; L619-H621 PolarHBondContact O-CD2 3.32Å; L619-H621 PolarHBondContact O-N 2.84Å; L619-H621 PolarHBondContact O-NE2 3.01Å; H621-C623 PolarHBondContact O-N 3.4Å
622R87.7Confident86.1Confident128 Ų12876.7 Ų76.748%0.48344%0.443SS..  trans-69.4133.4177.3-73.7-177.7175.4-95.9-1.6111.1C610 C620C610-R622 VanDerWaalsContact CB-O 3.31Å; C610-R622 WeakPolarHBondContact CB-O 3.43Å; C610-R622 PolarHBondContact N-O 3.49Å; C620-R622 VanDerWaalsContact C-N 3.34Å; C620-R622 PolarHBondContact O-N 2.91Å
623C87Confident85.8Confident39 Ų3977.2 Ų77.226%0.26445%0.448SS..  trans-124.2115.2168.4-1770000107.4Q607 L608 F609 H621Q607-C623 WeakPolarHBondContact CA-SG 3.33Å; Q607-C623 VanDerWaalsContact CB-SG 3.51Å; L608-C623 PolarHBondContact O-SG 2.93Å; F609-C623 HydrophobicContact CD1-CB 3.78Å; F609-C623 HydrophobicContact CE1-CB 3.87Å; F609-C623 HydrophobicContact CG-CB 4.31Å; F609-C623 HydrophobicContact CZ-CB 4.47Å; H621-C623 PolarHBondContact O-N 3.4Å
624D82.7Confident85.7Confident39 Ų3978.7 Ų78.721%0.20944%0.443CS..  trans-113.6130-176.2-66.7-62.5000109.4S626 G627 R628 C629 P630 I635D624-S626 PolarHBondContact O-N 2.83Å; D624-S626 VanDerWaalsContact O-N 3.09Å; D624-G627 PolarHBondContact O-N 2.74Å; D624-R628 WeakPolarHBondContact CB-O 3.35Å; D624-C629 WeakPolarHBondContact OD2-CA 3.47Å; D624-P630 VanDerWaalsContact OD2-CD 3.27Å; D624-P630 WeakPolarHBondContact OD2-CD 3.42Å; D624-I635 HydrophobicContact CB-CD1 4.22Å
625P81.7Confident85.9Confident129 Ų12976.6 Ų76.684%0.83843%0.432SS*.THydrogen-bonded Turntrans-58.8-22.5177.8-24.733.4000113.8G627P625-G627 PolarHBondContact O-N 3.5Å
626S83.1Confident86.3Confident87 Ų8767.7 Ų67.761%0.60839%0.386SS*.THydrogen-bonded Turntrans-70.7-10.8176.768.50000114D624 R628D624-S626 PolarHBondContact O-N 2.83Å; D624-S626 VanDerWaalsContact O-N 3.09Å; S626-R628 PolarHBondContact O-N 3.18Å; S626-R628 PolarHBondContact OG-N 2.98Å; S626-R628 PolarHBondContact OG-O 3.41Å
627G84.8Confident86.6Confident34 Ų3469 Ų6935%0.35138%0.38SS..SBendtrans68.611.4-171.900000114D624 P625 I635D624-G627 PolarHBondContact O-N 2.74Å; P625-G627 PolarHBondContact O-N 3.5Å; G627-I635 PolarHBondContact O-N 2.9Å
628R87.8Confident87.1Confident165 Ų16566.7 Ų66.762%0.62335%0.35SS*.EExtended strand (participates in β ladder)trans-131.7125.7175.7-59.9-172.1-151-176.47.2111.3D624 S626 G633D624-R628 WeakPolarHBondContact CB-O 3.35Å; S626-R628 PolarHBondContact O-N 3.18Å; S626-R628 PolarHBondContact OG-N 2.98Å; S626-R628 PolarHBondContact OG-O 3.41Å; R628-G633 CarbonylContact C-O 3.43Å; R628-G633 WeakPolarHBondContact CA-O 3.49Å
629C88Confident86.9Confident2 Ų266.7 Ų66.71%0.01435%0.346CS..EExtended strand (participates in β ladder)trans-73.8128.5167.1-175.60000109.8C610 D624 I631 H632 G633 I635C610-C629 HydrophobicContact CB-CB 4.22Å; D624-C629 WeakPolarHBondContact OD2-CA 3.47Å; C629-I631 PolarHBondContact O-N 3.32Å; C629-I631 VanDerWaalsContact O-N 3.15Å; C629-H632 HydrophobicContact CB-CB 4.16Å; C629-H632 PolarHBondContact O-N 3.33Å; C629-H632 PolarHBondContact SG-ND1 2.88Å; C629-H632 VanDerWaalsContact SG-ND1 3.38Å; C629-G633 WeakPolarHBondContact CA-O 3.32Å; C629-G633 WeakPolarHBondContact CB-O 3.29Å; C629-G633 PolarHBondContact N-O 3.03Å; C629-G633 VanDerWaalsContact O-CA 3.29Å; C629-G633 WeakPolarHBondContact O-CA 3.44Å; C629-G633 PolarHBondContact O-N 2.9Å; C629-I635 HydrophobicContact CB-CD1 4.31Å; C629-I635 HydrophobicContact CB-CG1 3.99Å
630P83.2Confident86.6Confident103 Ų10372.9 Ų72.967%0.66937%0.372SS*.THydrogen-bonded Turntrans-58.2-28.1175.6-25.232.8000113.7D624D624-P630 VanDerWaalsContact OD2-CD 3.27Å; D624-P630 WeakPolarHBondContact OD2-CD 3.42Å
631I83.5Confident86.3Confident108 Ų10879.7 Ų79.755%0.55441%0.406SS*.THydrogen-bonded Turntrans-90-46.1-176.6-52.7172.6000110.8C629C629-I631 PolarHBondContact O-N 3.32Å; C629-I631 VanDerWaalsContact O-N 3.15Å
632H85.7Confident86.1Confident53 Ų5376.6 Ų76.625%0.24540%0.397CS..THydrogen-bonded Turntrans-108-0.8-169.3-52.1104000114.3C610 A612 C620 C629C610-H632 PolarHBondContact SG-ND1 3.42Å; C610-H632 VanDerWaalsContact SG-ND1 3.4Å; A612-H632 HydrophobicContact CB-CB 3.85Å; A612-H632 VanDerWaalsContact CB-CG 3.5Å; C620-H632 VanDerWaalsContact CB-CE1 3.47Å; C620-H632 WeakPolarHBondContact CB-CE1 3.32Å; C620-H632 PolarHBondContact SG-CE1 3.38Å; C620-H632 PolarHBondContact SG-ND1 3.41Å; C629-H632 HydrophobicContact CB-CB 4.16Å; C629-H632 PolarHBondContact O-N 3.33Å; C629-H632 PolarHBondContact SG-ND1 2.88Å; C629-H632 VanDerWaalsContact SG-ND1 3.38Å
633G86Confident86.2Confident15 Ų1570.6 Ų70.616%0.15538%0.375CS..EExtended strand (participates in β ladder)trans77.2-145.1-176.500000112.5R628 C629 I635R628-G633 CarbonylContact C-O 3.43Å; R628-G633 WeakPolarHBondContact CA-O 3.49Å; C629-G633 WeakPolarHBondContact CA-O 3.32Å; C629-G633 WeakPolarHBondContact CB-O 3.29Å; C629-G633 PolarHBondContact N-O 3.03Å; C629-G633 VanDerWaalsContact O-CA 3.29Å; C629-G633 WeakPolarHBondContact O-CA 3.44Å; C629-G633 PolarHBondContact O-N 2.9Å; G633-I635 PolarHBondContact O-N 3.34Å
634R87.7Confident86.2Confident112 Ų11277.2 Ų77.242%0.42340%0.395SS..EExtended strand (participates in β ladder)trans-53.3131.7-176.5-176.5-178.9-67.6-91.43.7112V636 L654R634-V636 HydrophobicContact CG-CG1 4.23Å; R634-L654 HydrophobicContact CB-CD2 4.46Å
635I90.6Very high86.6Confident16 Ų1676.1 Ų76.18%0.08239%0.39CS..  trans-82.6123173-63.3175.4000108.1L608 C610 D624 G627 C629 G633L608-I635 HydrophobicContact CB-CG2 3.6Å; L608-I635 WeakPolarHBondContact O-CG2 3.28Å; C610-I635 HydrophobicContact CB-CD1 4.46Å; C610-I635 HydrophobicContact CB-CG1 4.26Å; D624-I635 HydrophobicContact CB-CD1 4.22Å; G627-I635 PolarHBondContact O-N 2.9Å; C629-I635 HydrophobicContact CB-CD1 4.31Å; C629-I635 HydrophobicContact CB-CG1 3.99Å; G633-I635 PolarHBondContact O-N 3.34Å
636V90.1Very high86.8Confident6 Ų674.8 Ų74.84%0.03637%0.374CS..  trans-122.8155.5174.3-57.20000108.6R634 R638 P645 D650 L654R634-V636 HydrophobicContact CG-CG1 4.23Å; V636-R638 HydrophobicContact CG2-CG 4.1Å; V636-R638 PolarHBondContact O-N 3.34Å; V636-R638 VanDerWaalsContact O-N 3.09Å; V636-P645 HydrophobicContact CG2-CB 3.96Å; V636-P645 HydrophobicContact CG2-CG 4Å; V636-D650 HydrophobicContact CB-CB 3.99Å; V636-D650 HydrophobicContact CG1-CB 4.02Å; V636-D650 HydrophobicContact CG2-CB 4.3Å; V636-L654 HydrophobicContact CG1-CD1 4.24Å; V636-L654 HydrophobicContact CG1-CD2 4.41Å; V636-L654 HydrophobicContact CG1-CG 4.29Å; V636-L654 HydrophobicContact CG2-CD1 3.54Å; V636-L654 HydrophobicContact CG2-CG 4.45Å
637K87.5Confident87Confident123 Ų12374.2 Ų74.254%0.53537%0.365SS..  trans-67.3112.2178.4-165.7-178-179.9-179.80109.5L608 I646L608-K637 HydrophobicContact CD2-CB 4.14Å; L608-K637 HydrophobicContact CD2-CG 4.13Å; K637-I646 HydrophobicContact CD-CD1 4.09Å; K637-I646 HydrophobicContact CG-CD1 3.9Å; K637-I646 PolarHBondContact O-N 3.39Å
638R91.8Very high87.1Confident17 Ų1778.1 Ų78.16%0.06438%0.375CS..BIsolated β-bridgetrans-106.2163.5176.5-67.8174.5172.9980.3110.8C610 W611 V636 G643 R644 P645 L654C610-R638 VanDerWaalsContact O-CD 3.25Å; C610-R638 WeakPolarHBondContact O-CD 3.32Å; C610-R638 PolarHBondContact O-NH1 3.01Å; W611-R638 VanDerWaalsContact C-CD 3.48Å; W611-R638 HydrophobicContact CB-CB 3.97Å; W611-R638 HydrophobicContact CE3-CB 4.45Å; W611-R638 VanDerWaalsContact CZ3-O 3.28Å; W611-R638 WeakPolarHBondContact CZ3-O 3.31Å; W611-R638 VanDerWaalsContact O-CD 3.28Å; W611-R638 WeakPolarHBondContact O-CD 3.42Å; V636-R638 HydrophobicContact CG2-CG 4.1Å; V636-R638 PolarHBondContact O-N 3.34Å; V636-R638 VanDerWaalsContact O-N 3.09Å; R638-G643 WeakPolarHBondContact CD-O 3.48Å; R638-R644 CarbonylContact C-O 3.56Å; R638-R644 VanDerWaalsContact CA-O 3.24Å; R638-R644 WeakPolarHBondContact CA-O 3.27Å; R638-P645 HydrophobicContact CG-CB 4.49Å; R638-P645 HydrophobicContact CG-CG 4.24Å; R638-L654 VanDerWaalsContact NH2-CD1 3.34Å
639D85.4Confident87.1Confident57 Ų5775.4 Ų75.431%0.30537%0.373SS..  trans-69.8139.2167.2174.228.7000110.3I641 T642 G643 R644 I646D639-I641 VanDerWaalsContact C-N 3.25Å; D639-I641 PolarHBondContact O-N 2.97Å; D639-I641 PolarHBondContact OD1-N 3.46Å; D639-T642 WeakPolarHBondContact CB-OG1 3.08Å; D639-T642 WeakPolarHBondContact OD2-CB 3.28Å; D639-T642 WeakPolarHBondContact OD2-CG2 3.32Å; D639-T642 PolarHBondContact OD2-N 2.93Å; D639-T642 VanDerWaalsContact OD2-N 3.12Å; D639-T642 PolarHBondContact OD2-OG1 3.46Å; D639-G643 WeakPolarHBondContact O-CA 3.29Å; D639-G643 PolarHBondContact O-N 3.08Å; D639-R644 PolarHBondContact N-O 2.88Å; D639-I646 HydrophobicContact CB-CG1 4.49Å
640K84.9Confident87.1Confident151 Ų15177.2 Ų77.266%0.65738%0.383SS*.THydrogen-bonded Turntrans-70.6-19.5-175.4-71-178.7178.9-178.50113.4W611 L619W611-K640 HydrophobicContact CD2-CG 4.28Å; W611-K640 HydrophobicContact CE3-CG 3.96Å; W611-K640 HydrophobicContact CH2-CD 3.9Å; W611-K640 HydrophobicContact CH2-CG 3.36Å; W611-K640 HydrophobicContact CZ2-CD 4.16Å; W611-K640 HydrophobicContact CZ2-CG 3.66Å; W611-K640 HydrophobicContact CZ3-CD 4.44Å; W611-K640 HydrophobicContact CZ3-CG 3.49Å; W611-K640 VanDerWaalsContact CZ3-CG 3.49Å; L619-K640 WeakPolarHBondContact CD1-O 3.34Å
641I83.6Confident87.4Confident150 Ų15077.2 Ų77.277%0.76937%0.369SS*.THydrogen-bonded Turntrans-102.9-51.3-177.9-56.3175.1000110D639D639-I641 VanDerWaalsContact C-N 3.25Å; D639-I641 PolarHBondContact O-N 2.97Å; D639-I641 PolarHBondContact OD1-N 3.46Å
642T86.4Confident87.7Confident74 Ų7478.1 Ų78.145%0.45437%0.369SS..THydrogen-bonded Turntrans-89-16.2-174.363.70000114.6D639 R644D639-T642 WeakPolarHBondContact CB-OG1 3.08Å; D639-T642 WeakPolarHBondContact OD2-CB 3.28Å; D639-T642 WeakPolarHBondContact OD2-CG2 3.32Å; D639-T642 PolarHBondContact OD2-N 2.93Å; D639-T642 VanDerWaalsContact OD2-N 3.12Å; D639-T642 PolarHBondContact OD2-OG1 3.46Å; T642-R644 PolarHBondContact O-N 2.88Å; T642-R644 PolarHBondContact OG1-N 3.15Å
643G89.6Confident87.8Confident3 Ų379.4 Ų79.43%0.03138%0.378CS..  trans65.712.2-173.100000114.2W611 R638 D639W611-G643 WeakPolarHBondContact O-CA 3.37Å; R638-G643 WeakPolarHBondContact CD-O 3.48Å; D639-G643 WeakPolarHBondContact O-CA 3.29Å; D639-G643 PolarHBondContact O-N 3.08Å
644R87.3Confident87.9Confident177 Ų17780 Ų8067%0.66838%0.377SS*.  trans-81.8136.9176.7-68.1-175.6176.4-168.50.4110.2R638 D639 T642 I646R638-R644 CarbonylContact C-O 3.56Å; R638-R644 VanDerWaalsContact CA-O 3.24Å; R638-R644 WeakPolarHBondContact CA-O 3.27Å; D639-R644 PolarHBondContact N-O 2.88Å; T642-R644 PolarHBondContact O-N 2.88Å; T642-R644 PolarHBondContact OG1-N 3.15Å; R644-I646 PolarHBondContact O-N 3.4Å
645P90.6Very high88Confident17 Ų1779.9 Ų79.911%0.1138%0.381CS..BIsolated β-bridgetrans-54.8128.9172-25.434.1000110.3V636 R638 D650 R651 L654V636-P645 HydrophobicContact CG2-CB 3.96Å; V636-P645 HydrophobicContact CG2-CG 4Å; R638-P645 HydrophobicContact CG-CB 4.49Å; R638-P645 HydrophobicContact CG-CG 4.24Å; P645-D650 HydrophobicContact CB-CB 4.29Å; P645-R651 HydrophobicContact CB-CB 4.33Å; P645-R651 PolarHBondContact O-NH2 3.39Å; P645-L654 HydrophobicContact CG-CD1 3.8Å
646I85.8Confident88Confident100 Ų10082.9 Ų82.951%0.51340%0.4SS..SBendtrans-68.4-45.3-177.7-57.9-178.8000109.2K637 D639 R644K637-I646 HydrophobicContact CD-CD1 4.09Å; K637-I646 HydrophobicContact CG-CD1 3.9Å; K637-I646 PolarHBondContact O-N 3.39Å; D639-I646 HydrophobicContact CB-CG1 4.49Å; R644-I646 PolarHBondContact O-N 3.4Å
647N86.7Confident88Confident76 Ų7685.3 Ų85.341%0.40641%0.411SS..SBendtrans-79.1131.2179.2-168-16.1000111.1N649 D650 R651N647-N649 VanDerWaalsContact C-N 3.29Å; N647-N649 PolarHBondContact O-N 2.92Å; N647-N649 PolarHBondContact OD1-N 3.06Å; N647-D650 HydrophobicContact CB-CB 4.15Å; N647-D650 PolarHBondContact O-N 3.31Å; N647-R651 PolarHBondContact O-N 3.34Å
648M86.5Confident88Confident115 Ų11586.2 Ų86.257%0.56742%0.419SS*.Hα-helixtrans-65.3-32.7177-166.2-174.9-71.900112.1R651 K652M648-R651 WeakPolarHBondContact O-CB 3.27Å; M648-R651 PolarHBondContact O-N 3.46Å; M648-K652 PolarHBondContact O-N 3.03Å; M648-K652 VanDerWaalsContact O-N 3.12Å
649N87.6Confident87.9Confident108 Ų10890 Ų9058%0.57844%0.438SS*.Hα-helixtrans-67.9-41.6177.4-69.1-23.3000111.6N647 R651 K652 L653N647-N649 VanDerWaalsContact C-N 3.29Å; N647-N649 PolarHBondContact O-N 2.92Å; N647-N649 PolarHBondContact OD1-N 3.06Å; N649-R651 PolarHBondContact O-N 3.45Å; N649-K652 PolarHBondContact O-N 2.87Å; N649-L653 WeakPolarHBondContact O-CB 3.35Å; N649-L653 PolarHBondContact O-N 2.83Å
650D89.4Confident88.3Confident41 Ų4190.9 Ų90.922%0.21945%0.448CS..Hα-helixtrans-61.8-36.4175-69.9-15.5000111.5V636 P645 N647 L653 L654V636-D650 HydrophobicContact CB-CB 3.99Å; V636-D650 HydrophobicContact CG1-CB 4.02Å; V636-D650 HydrophobicContact CG2-CB 4.3Å; P645-D650 HydrophobicContact CB-CB 4.29Å; N647-D650 HydrophobicContact CB-CB 4.15Å; N647-D650 PolarHBondContact O-N 3.31Å; D650-L653 PolarHBondContact O-N 3.25Å; D650-L654 WeakPolarHBondContact O-CB 3.36Å; D650-L654 WeakPolarHBondContact O-CG 3.34Å; D650-L654 PolarHBondContact O-N 3.44Å
651R88.2Confident88.5Confident103 Ų10388.6 Ų88.639%0.38944%0.438SS..Hα-helixtrans-62.9-48.5175.5-164.9179.5-55.4123.56.8111.6P645 N647 M648 N649 L653 L654 Q655P645-R651 HydrophobicContact CB-CB 4.33Å; P645-R651 PolarHBondContact O-NH2 3.39Å; N647-R651 PolarHBondContact O-N 3.34Å; M648-R651 WeakPolarHBondContact O-CB 3.27Å; M648-R651 PolarHBondContact O-N 3.46Å; N649-R651 PolarHBondContact O-N 3.45Å; R651-L653 VanDerWaalsContact C-N 3.32Å; R651-L653 PolarHBondContact O-N 3.21Å; R651-L654 PolarHBondContact O-N 3.44Å; R651-Q655 PolarHBondContact O-N 3.26Å; R651-Q655 VanDerWaalsContact O-N 3.1Å
652K89.5Confident88.9Confident126 Ų12691 Ų9155%0.54844%0.437SS..Hα-helixtrans-60.9-42.6176-70.6178.9179.3177.80111.2M648 N649 Q655 T656M648-K652 PolarHBondContact O-N 3.03Å; M648-K652 VanDerWaalsContact O-N 3.12Å; N649-K652 PolarHBondContact O-N 2.87Å; K652-Q655 PolarHBondContact O-N 3.27Å; K652-T656 WeakPolarHBondContact O-CG2 3.32Å; K652-T656 PolarHBondContact O-N 3.31Å; K652-T656 PolarHBondContact O-OG1 2.92Å
653L88.8Confident89.3Confident81 Ų8192.6 Ų92.642%0.42444%0.443SS..Hα-helixtrans-64-43.8179.5-172.569.8000112.7N649 D650 R651 Q655 T656 E657N649-L653 WeakPolarHBondContact O-CB 3.35Å; N649-L653 PolarHBondContact O-N 2.83Å; D650-L653 PolarHBondContact O-N 3.25Å; R651-L653 VanDerWaalsContact C-N 3.32Å; R651-L653 PolarHBondContact O-N 3.21Å; L653-Q655 VanDerWaalsContact C-N 3.31Å; L653-Q655 PolarHBondContact O-N 3Å; L653-T656 PolarHBondContact O-N 2.85Å; L653-T656 PolarHBondContact O-OG1 3.09Å; L653-E657 WeakPolarHBondContact O-CB 3.36Å; L653-E657 PolarHBondContact O-N 3.02Å
654L88.9Confident89.5Confident27 Ų2795.1 Ų95.114%0.14146%0.463CS..Hα-helixtrans-65.3-36.8176.7-75.3175.8000112.1R634 V636 R638 P645 D650 R651 M658R634-L654 HydrophobicContact CB-CD2 4.46Å; V636-L654 HydrophobicContact CG1-CD1 4.24Å; V636-L654 HydrophobicContact CG1-CD2 4.41Å; V636-L654 HydrophobicContact CG1-CG 4.29Å; V636-L654 HydrophobicContact CG2-CD1 3.54Å; V636-L654 HydrophobicContact CG2-CG 4.45Å; R638-L654 VanDerWaalsContact NH2-CD1 3.34Å; P645-L654 HydrophobicContact CG-CD1 3.8Å; D650-L654 WeakPolarHBondContact O-CB 3.36Å; D650-L654 WeakPolarHBondContact O-CG 3.34Å; D650-L654 PolarHBondContact O-N 3.44Å; R651-L654 PolarHBondContact O-N 3.44Å; L654-M658 WeakPolarHBondContact O-CB 3.44Å; L654-M658 PolarHBondContact O-N 2.93Å
655Q89.1Confident89.7Confident110 Ų11096.2 Ų96.251%0.51447%0.467SS..Hα-helixtrans-66.6-47.6177.2-175.2173.8-5.700111.4R651 K652 L653 E657 M658 E659R651-Q655 PolarHBondContact O-N 3.26Å; R651-Q655 VanDerWaalsContact O-N 3.1Å; K652-Q655 PolarHBondContact O-N 3.27Å; L653-Q655 VanDerWaalsContact C-N 3.31Å; L653-Q655 PolarHBondContact O-N 3Å; Q655-E657 VanDerWaalsContact C-N 3.33Å; Q655-E657 PolarHBondContact O-N 3.3Å; Q655-M658 PolarHBondContact O-N 2.96Å; Q655-E659 WeakPolarHBondContact CG-OE1 3.08Å; Q655-E659 PolarHBondContact NE2-OE1 3.45Å; Q655-E659 VanDerWaalsContact NE2-OE1 3.09Å; Q655-E659 WeakPolarHBondContact O-CG 3.47Å; Q655-E659 PolarHBondContact O-N 3.14Å
656T89.6Confident89.8Confident78 Ų78100 Ų10048%0.47948%0.484SS..Hα-helixtrans-64.6-36.4177.1550000112.1K652 L653 S660K652-T656 WeakPolarHBondContact O-CG2 3.32Å; K652-T656 PolarHBondContact O-N 3.31Å; K652-T656 PolarHBondContact O-OG1 2.92Å; L653-T656 PolarHBondContact O-N 2.85Å; L653-T656 PolarHBondContact O-OG1 3.09Å; T656-S660 VanDerWaalsContact O-CB 3.23Å; T656-S660 WeakPolarHBondContact O-CB 3.11Å; T656-S660 PolarHBondContact O-N 3.37Å
657E90.4Very high90.2Very high57 Ų57102.3 Ų102.327%0.26649%0.49SS..Hα-helixtrans-63-42.4173.1-170.3-176.4157.600111.6L653 Q655 K661L653-E657 WeakPolarHBondContact O-CB 3.36Å; L653-E657 PolarHBondContact O-N 3.02Å; Q655-E657 VanDerWaalsContact C-N 3.33Å; Q655-E657 PolarHBondContact O-N 3.3Å; E657-K661 WeakPolarHBondContact O-CG 3.35Å; E657-K661 PolarHBondContact O-N 3.42Å; E657-K661 VanDerWaalsContact OE1-CE 3.31Å; E657-K661 WeakPolarHBondContact OE1-CE 3.38Å; E657-K661 IonicContact OE1-NZ 2.69Å; E657-K661 PolarHBondContact OE1-NZ 2.81Å
658M88.3Confident90.6Very high142 Ų142106 Ų10670%0.750%0.503SS*.Hα-helixtrans-66.3-44.4177.9-170.2-179.9-6700111.9L654 Q655 K661 R662L654-M658 WeakPolarHBondContact O-CB 3.44Å; L654-M658 PolarHBondContact O-N 2.93Å; Q655-M658 PolarHBondContact O-N 2.96Å; M658-K661 PolarHBondContact O-N 2.82Å; M658-R662 WeakPolarHBondContact O-CB 3.24Å; M658-R662 PolarHBondContact O-N 2.98Å
659E90.2Very high90.9Very high97 Ų97104.7 Ų104.745%0.45350%0.497SS..Hα-helixtrans-63.2-42.8175.8-73.7171.5-170.700111.6Q655 R662 L663Q655-E659 WeakPolarHBondContact CG-OE1 3.08Å; Q655-E659 PolarHBondContact NE2-OE1 3.45Å; Q655-E659 VanDerWaalsContact NE2-OE1 3.09Å; Q655-E659 WeakPolarHBondContact O-CG 3.47Å; Q655-E659 PolarHBondContact O-N 3.14Å; E659-R662 WeakPolarHBondContact O-CB 3.33Å; E659-R662 PolarHBondContact O-N 3.1Å; E659-L663 WeakPolarHBondContact O-CB 3.5Å; E659-L663 WeakPolarHBondContact O-CG 3.33Å; E659-L663 PolarHBondContact O-N 3.43Å
660S92.8Very high91.1Very high75 Ų75102.6 Ų102.652%0.52449%0.486SS..Hα-helixtrans-61.6-44.9175.6-177.70000112T656 R662 L663 A664T656-S660 VanDerWaalsContact O-CB 3.23Å; T656-S660 WeakPolarHBondContact O-CB 3.11Å; T656-S660 PolarHBondContact O-N 3.37Å; S660-R662 VanDerWaalsContact C-N 3.33Å; S660-R662 PolarHBondContact O-N 3.13Å; S660-L663 PolarHBondContact O-N 3.1Å; S660-A664 WeakPolarHBondContact O-CB 3.35Å; S660-A664 PolarHBondContact O-N 2.98Å
661K89.8Confident91.3Very high103 Ų103104.3 Ų104.345%0.44849%0.493SS..Hα-helixtrans-62-39.3174-75.7176.4-173.6166.80112.1E657 M658 A664 R665E657-K661 WeakPolarHBondContact O-CG 3.35Å; E657-K661 PolarHBondContact O-N 3.42Å; E657-K661 VanDerWaalsContact OE1-CE 3.31Å; E657-K661 WeakPolarHBondContact OE1-CE 3.38Å; E657-K661 IonicContact OE1-NZ 2.69Å; E657-K661 PolarHBondContact OE1-NZ 2.81Å; M658-K661 PolarHBondContact O-N 2.82Å; K661-A664 PolarHBondContact O-N 2.82Å; K661-R665 WeakPolarHBondContact O-CG 3.49Å; K661-R665 PolarHBondContact O-N 3.4Å
662R91.9Very high91.4Very high200 Ų200103.6 Ų103.676%0.75549%0.494SS*.Hα-helixtrans-64.9-46.9176.6-173.5179.5177.8-177.5-0.3111.3M658 E659 S660 A664 R665 Q666M658-R662 WeakPolarHBondContact O-CB 3.24Å; M658-R662 PolarHBondContact O-N 2.98Å; E659-R662 WeakPolarHBondContact O-CB 3.33Å; E659-R662 PolarHBondContact O-N 3.1Å; S660-R662 VanDerWaalsContact C-N 3.33Å; S660-R662 PolarHBondContact O-N 3.13Å; R662-A664 VanDerWaalsContact C-N 3.34Å; R662-A664 PolarHBondContact O-N 3.5Å; R662-R665 PolarHBondContact O-N 2.72Å; R662-Q666 PolarHBondContact O-N 2.98Å
663L93.8Very high91.4Very high108 Ų108101.3 Ų101.357%0.56549%0.488SS*.Hα-helixtrans-62-40.5176.2-76168.6000111.9E659 S660 Q666 K667E659-L663 WeakPolarHBondContact O-CB 3.5Å; E659-L663 WeakPolarHBondContact O-CG 3.33Å; E659-L663 PolarHBondContact O-N 3.43Å; S660-L663 PolarHBondContact O-N 3.1Å; L663-Q666 PolarHBondContact O-N 2.98Å; L663-K667 WeakPolarHBondContact O-CB 3.48Å; L663-K667 WeakPolarHBondContact O-CG 3.47Å; L663-K667 PolarHBondContact O-N 2.8Å
664A93.4Very high91.3Very high56 Ų56102.8 Ų102.846%0.46349%0.491SS..Hα-helixtrans-63.9-41.917600000112.2S660 K661 R662 K668S660-A664 WeakPolarHBondContact O-CB 3.35Å; S660-A664 PolarHBondContact O-N 2.98Å; K661-A664 PolarHBondContact O-N 2.82Å; R662-A664 VanDerWaalsContact C-N 3.34Å; R662-A664 PolarHBondContact O-N 3.5Å; A664-K668 WeakPolarHBondContact O-CB 3.28Å; A664-K668 PolarHBondContact O-N 2.75Å
665R93.3Very high91.2Very high200 Ų200107.3 Ų107.376%0.75551%0.509SS*.Hα-helixtrans-62.3-44.5173.9-74.5177.4-178.1-172.50.9111.6K661 R662 K668 L669K661-R665 WeakPolarHBondContact O-CG 3.49Å; K661-R665 PolarHBondContact O-N 3.4Å; R662-R665 PolarHBondContact O-N 2.72Å; R665-K668 PolarHBondContact O-N 2.61Å; R665-L669 WeakPolarHBondContact O-CB 3.32Å; R665-L669 PolarHBondContact O-N 2.8Å
666Q92.4Very high91.1Very high98 Ų98107.3 Ų107.346%0.45851%0.507SS..Hα-helixtrans-62.8-48.4177.6-171.562.143.300111.4R662 L663 K668 L669 D670R662-Q666 PolarHBondContact O-N 2.98Å; L663-Q666 PolarHBondContact O-N 2.98Å; Q666-K668 VanDerWaalsContact C-N 3.29Å; Q666-K668 PolarHBondContact O-N 3.29Å; Q666-L669 WeakPolarHBondContact O-CB 3.25Å; Q666-L669 PolarHBondContact O-N 3.37Å; Q666-L669 VanDerWaalsContact O-N 3.13Å; Q666-D670 PolarHBondContact NE2-OD1 3.31Å; Q666-D670 WeakPolarHBondContact O-CB 3.23Å; Q666-D670 PolarHBondContact O-N 3.34Å
667K94.2Very high90.8Very high147 Ų147105.7 Ų105.764%0.63950%0.502SS*.Hα-helixtrans-58.2-41176-75.5179.1179.4-179.20112L663 D670 E671L663-K667 WeakPolarHBondContact O-CB 3.48Å; L663-K667 WeakPolarHBondContact O-CG 3.47Å; L663-K667 PolarHBondContact O-N 2.8Å; K667-D670 PolarHBondContact O-N 3.29Å; K667-E671 VanDerWaalsContact O-CB 3.31Å; K667-E671 WeakPolarHBondContact O-CB 3.4Å; K667-E671 PolarHBondContact O-N 3.49Å
668K93.7Very high90.5Very high155 Ų155110.6 Ų110.667%0.67452%0.518SS*.Hα-helixtrans-63.8-43.2176.9-171179.3179.3-178.10111.3A664 R665 Q666 E671 E672A664-K668 WeakPolarHBondContact O-CB 3.28Å; A664-K668 PolarHBondContact O-N 2.75Å; R665-K668 PolarHBondContact O-N 2.61Å; Q666-K668 VanDerWaalsContact C-N 3.29Å; Q666-K668 PolarHBondContact O-N 3.29Å; K668-E671 PolarHBondContact O-N 3.3Å; K668-E672 WeakPolarHBondContact O-CB 3.38Å; K668-E672 PolarHBondContact O-N 3.2Å
669L94Very high90.1Very high86 Ų86113.6 Ų113.645%0.4552%0.522SS..Hα-helixtrans-64.8-43.8176.4-168.2117.4000111.5R665 Q666 E671 E672 N673R665-L669 WeakPolarHBondContact O-CB 3.32Å; R665-L669 PolarHBondContact O-N 2.8Å; Q666-L669 WeakPolarHBondContact O-CB 3.25Å; Q666-L669 PolarHBondContact O-N 3.37Å; Q666-L669 VanDerWaalsContact O-N 3.13Å; L669-E671 VanDerWaalsContact C-N 3.34Å; L669-E671 PolarHBondContact O-N 3.24Å; L669-E672 PolarHBondContact O-N 3.49Å; L669-N673 WeakPolarHBondContact O-CB 3.3Å; L669-N673 PolarHBondContact O-N 3.35Å; L669-N673 PolarHBondContact O-ND2 2.99Å
670D92.3Very high89.7Confident64 Ų64113.7 Ų113.734%0.34252%0.522SS..Hα-helixtrans-63-40.7176.6-64.9-18.5000111.5Q666 K667 N673 K674Q666-D670 PolarHBondContact NE2-OD1 3.31Å; Q666-D670 WeakPolarHBondContact O-CB 3.23Å; Q666-D670 PolarHBondContact O-N 3.34Å; K667-D670 PolarHBondContact O-N 3.29Å; D670-N673 PolarHBondContact O-N 3.48Å; D670-K674 WeakPolarHBondContact O-CB 3.48Å; D670-K674 VanDerWaalsContact O-CG 3.28Å; D670-K674 WeakPolarHBondContact O-CG 3.46Å; D670-K674 PolarHBondContact O-N 3.36Å
671E92.1Very high89Confident77 Ų77114.6 Ų114.636%0.3652%0.515SS..Hα-helixtrans-70.6-36.4177.7-158.661.9-15900111.6K667 K668 L669 K674 K675K667-E671 VanDerWaalsContact O-CB 3.31Å; K667-E671 WeakPolarHBondContact O-CB 3.4Å; K667-E671 PolarHBondContact O-N 3.49Å; K668-E671 PolarHBondContact O-N 3.3Å; L669-E671 VanDerWaalsContact C-N 3.34Å; L669-E671 PolarHBondContact O-N 3.24Å; E671-K674 PolarHBondContact O-N 2.79Å; E671-K674 IonicContact OE2-NZ 3.86Å; E671-K675 WeakPolarHBondContact O-CB 3.17Å; E671-K675 VanDerWaalsContact O-CG 3.29Å; E671-K675 WeakPolarHBondContact O-CG 3.36Å; E671-K675 PolarHBondContact O-N 3.16Å
672E91.4Very high88.3Confident88 Ų88115.2 Ų115.241%0.41153%0.529SS..Hα-helixtrans-65.4-42.8172.2-163.6-174.8146.100111.5K668 L669 K675 K676K668-E672 WeakPolarHBondContact O-CB 3.38Å; K668-E672 PolarHBondContact O-N 3.2Å; L669-E672 PolarHBondContact O-N 3.49Å; E672-K675 PolarHBondContact O-N 3.34Å; E672-K676 HydrophobicContact CG-CD 4.43Å; E672-K676 WeakPolarHBondContact O-CB 3.17Å; E672-K676 WeakPolarHBondContact O-CG 3.42Å; E672-K676 PolarHBondContact O-N 2.87Å; E672-K676 WeakPolarHBondContact OE1-CE 3.22Å; E672-K676 IonicContact OE1-NZ 2.86Å; E672-K676 PolarHBondContact OE1-NZ 3.28Å
673N89.4Confident87.4Confident78 Ų78108.9 Ų108.942%0.41753%0.526SS..Hα-helixtrans-63.7-41.8174.8-73.2-20000111.6L669 D670 K676 A677L669-N673 WeakPolarHBondContact O-CB 3.3Å; L669-N673 PolarHBondContact O-N 3.35Å; L669-N673 PolarHBondContact O-ND2 2.99Å; D670-N673 PolarHBondContact O-N 3.48Å; N673-K676 PolarHBondContact O-N 2.95Å; N673-A677 WeakPolarHBondContact O-CB 3.08Å; N673-A677 PolarHBondContact O-N 3.28Å
674K86Confident86.3Confident113 Ų113109.9 Ų109.949%0.49153%0.532SS..Hα-helixtrans-61.7-42.6172.3-76.3172.4-171.3167.90111.8D670 E671 A677 R678D670-K674 WeakPolarHBondContact O-CB 3.48Å; D670-K674 VanDerWaalsContact O-CG 3.28Å; D670-K674 WeakPolarHBondContact O-CG 3.46Å; D670-K674 PolarHBondContact O-N 3.36Å; E671-K674 PolarHBondContact O-N 2.79Å; E671-K674 IonicContact OE2-NZ 3.86Å; K674-A677 PolarHBondContact O-N 2.73Å; K674-R678 VanDerWaalsContact O-CG 3.31Å; K674-R678 WeakPolarHBondContact O-CG 3.45Å; K674-R678 PolarHBondContact O-N 2.74Å
675K87.4Confident85.1Confident121 Ų121112.4 Ų112.453%0.52654%0.541SS..Hα-helixtrans-63.5-43.5175.8-76.1175.7-178-177.80111.5E671 E672 R678 R679E671-K675 WeakPolarHBondContact O-CB 3.17Å; E671-K675 VanDerWaalsContact O-CG 3.29Å; E671-K675 WeakPolarHBondContact O-CG 3.36Å; E671-K675 PolarHBondContact O-N 3.16Å; E672-K675 PolarHBondContact O-N 3.34Å; K675-R678 PolarHBondContact O-N 3.12Å; K675-R679 WeakPolarHBondContact O-CG 3.46Å; K675-R679 PolarHBondContact O-N 2.85Å
676K87.1Confident83.7Confident110 Ų110106.9 Ų106.948%0.47853%0.527SS..Hα-helixtrans-61.2-46174.2-77.1169.3168.8163.80111.5E672 N673 R678 R679 H680E672-K676 HydrophobicContact CG-CD 4.43Å; E672-K676 WeakPolarHBondContact O-CB 3.17Å; E672-K676 WeakPolarHBondContact O-CG 3.42Å; E672-K676 PolarHBondContact O-N 2.87Å; E672-K676 WeakPolarHBondContact OE1-CE 3.22Å; E672-K676 IonicContact OE1-NZ 2.86Å; E672-K676 PolarHBondContact OE1-NZ 3.28Å; N673-K676 PolarHBondContact O-N 2.95Å; K676-R678 PolarHBondContact O-N 3.09Å; K676-R679 PolarHBondContact O-N 3.09Å; K676-H680 WeakPolarHBondContact O-CB 3.37Å; K676-H680 PolarHBondContact O-N 3.23Å
677A83.6Confident82.3Confident45 Ų45109.5 Ų109.537%0.37254%0.542SS..Hα-helixtrans-61.2-41.2176.500000112.5N673 K674 R679 H680 Y681N673-A677 WeakPolarHBondContact O-CB 3.08Å; N673-A677 PolarHBondContact O-N 3.28Å; K674-A677 PolarHBondContact O-N 2.73Å; A677-R679 PolarHBondContact O-N 3.06Å; A677-H680 PolarHBondContact O-N 3.16Å; A677-Y681 PolarHBondContact O-N 2.99Å
678R82.4Confident81.1Confident159 Ų159107.3 Ų107.360%0.655%0.545SS*.Hα-helixtrans-64.7-35.6175-73.8177.5-172.9175.17.7113.1K674 K675 K676 Y681K674-R678 VanDerWaalsContact O-CG 3.31Å; K674-R678 WeakPolarHBondContact O-CG 3.45Å; K674-R678 PolarHBondContact O-N 2.74Å; K675-R678 PolarHBondContact O-N 3.12Å; K676-R678 PolarHBondContact O-N 3.09Å; R678-Y681 CarbonylContact O-C 3.57Å
679R81.7Confident79.8Confident206 Ų206108 Ų10878%0.77755%0.548SS*.Hα-helixtrans-70.3-40.9174.2-72.4177.5-177.9175.4-0.5111.9K675 K676 A677K675-R679 WeakPolarHBondContact O-CG 3.46Å; K675-R679 PolarHBondContact O-N 2.85Å; K676-R679 PolarHBondContact O-N 3.09Å; A677-R679 PolarHBondContact O-N 3.06Å
680H80.2Confident78.3Confident99 Ų99111.5 Ų111.546%0.45856%0.56SS.*Hα-helixtrans-72.7-32.6-178.4-170.8-78.3000112.3K676 A677 P682K676-H680 WeakPolarHBondContact O-CB 3.37Å; K676-H680 PolarHBondContact O-N 3.23Å; A677-H680 PolarHBondContact O-N 3.16Å; H680-P682 WeakPolarHBondContact O-CD 3.02Å
681Y79Confident77Confident94 Ų94117.9 Ų117.937%0.36959%0.585SS.*SBendtrans-123.675.4176-56.9-79.9000111A677 R678 G683 L684A677-Y681 PolarHBondContact O-N 2.99Å; R678-Y681 CarbonylContact O-C 3.57Å; Y681-G683 PolarHBondContact O-N 3.38Å; Y681-L684 VanDerWaalsContact CB-CD1 3.42Å; Y681-L684 HydrophobicContact CG-CD1 4.08Å; Y681-L684 PolarHBondContact O-N 3.5Å
682P74.1Confident75.9Confident115 Ų115118 Ų11875%0.74759%0.591SS**THydrogen-bonded Turntrans-62.2126174.126.5-31.6000108.8H680H680-P682 WeakPolarHBondContact O-CD 3.02Å
683G73.9Confident75Confident68 Ų68116 Ų11670%0.70159%0.593SS**THydrogen-bonded Turntrans104.5-0.7-176.900000115.6Y681 T685Y681-G683 PolarHBondContact O-N 3.38Å; G683-T685 PolarHBondContact O-N 3.13Å; G683-T685 PolarHBondContact O-OG1 2.77Å
684L69.8Low74.5Confident129 Ų129117.7 Ų117.768%0.67561%0.606SS**  trans-62.5100.9170.8-119.380.7000110.3Y681Y681-L684 VanDerWaalsContact CB-CD1 3.42Å; Y681-L684 HydrophobicContact CG-CD1 4.08Å; Y681-L684 PolarHBondContact O-N 3.5Å
685T68.4Low74Confident109 Ų109121.4 Ų121.467%0.66962%0.617SS**  trans-81.1134.3176.9-50.90000108.7G683 I687G683-T685 PolarHBondContact O-N 3.13Å; G683-T685 PolarHBondContact O-OG1 2.77Å; T685-I687 PolarHBondContact O-N 2.91Å
686N63.7Low73.4Confident83 Ų83116.8 Ų116.844%0.44460%0.604SS.*  trans-68.9103.6178.8-156.2-22.4000108.9S688 K689 K690N686-S688 PolarHBondContact O-N 3.46Å; N686-S688 VanDerWaalsContact O-N 3.16Å; N686-S688 PolarHBondContact OD1-OG 3.49Å; N686-K689 HydrophobicContact CB-CB 4.19Å; N686-K689 HydrophobicContact CB-CD 4.29Å; N686-K689 HydrophobicContact CB-CG 4.09Å; N686-K689 PolarHBondContact O-N 3.19Å; N686-K690 PolarHBondContact O-N 3.31Å
687I64.7Low72.8Confident153 Ų153119.8 Ų119.879%0.78561%0.612SS**G310 helixtrans-56.8-33.6-176.8-61.7171.3000110.4T685 K689 K690T685-I687 PolarHBondContact O-N 2.91Å; I687-K689 PolarHBondContact O-N 2.93Å; I687-K690 PolarHBondContact O-N 3.13Å
688S67.4Low72.3Confident101 Ų101122.5 Ų122.571%0.70662%0.62SS**G310 helixtrans-65.1-22.7175.865.70000114.4N686N686-S688 PolarHBondContact O-N 3.46Å; N686-S688 VanDerWaalsContact O-N 3.16Å; N686-S688 PolarHBondContact OD1-OG 3.49Å
689K66.2Low71.9Confident169 Ų169119.2 Ų119.274%0.73561%0.612SS**G310 helixtrans-97.5-7.8178.9-64.8-168.8175.5-1690113.6N686 I687 K691N686-K689 HydrophobicContact CB-CB 4.19Å; N686-K689 HydrophobicContact CB-CD 4.29Å; N686-K689 HydrophobicContact CB-CG 4.09Å; N686-K689 PolarHBondContact O-N 3.19Å; I687-K689 PolarHBondContact O-N 2.93Å; K689-K691 PolarHBondContact O-N 3.09Å
690K64.2Low71.5Confident161 Ų161111.9 Ų111.970%0.760%0.595SS**SBendtrans-69.8116179.4-164175-175.8179.40108.1N686 I687 V692N686-K690 PolarHBondContact O-N 3.31Å; I687-K690 PolarHBondContact O-N 3.13Å; K690-V692 PolarHBondContact O-N 3.49Å; K690-V692 VanDerWaalsContact O-N 3.09Å
691K63.7Low71.2Confident197 Ų197113.5 Ų113.586%0.85760%0.603SS**  trans-54.3120.2167.4-79.5-175.7178-179.90107.1K689 G693K689-K691 PolarHBondContact O-N 3.09Å; K691-G693 PolarHBondContact O-N 3.14Å
692V68.8Low70.8Confident81 Ų81113.5 Ų113.549%0.49161%0.613SS.*  trans-61.5102.1179.4-173.40000107.8K690 G696 R697K690-V692 PolarHBondContact O-N 3.49Å; K690-V692 VanDerWaalsContact O-N 3.09Å; V692-G696 WeakPolarHBondContact CG1-O 3.32Å; V692-R697 HydrophobicContact CB-CG 4.29Å; V692-R697 HydrophobicContact CG1-CB 4.37Å; V692-R697 HydrophobicContact CG1-CG 3.7Å; V692-R697 PolarHBondContact O-NE 3.11Å
693G73.5Confident70.5Confident45 Ų45114.4 Ų114.446%0.46461%0.608SS.*  trans-65.2171.2173.700000111.3K691 R695 G696 R697K691-G693 PolarHBondContact O-N 3.14Å; G693-R695 PolarHBondContact O-N 3.15Å; G693-R695 VanDerWaalsContact O-N 3.15Å; G693-G696 WeakPolarHBondContact O-CA 3.25Å; G693-G696 PolarHBondContact O-N 3.07Å; G693-R697 PolarHBondContact O-N 3.47Å
694V78.5Confident70.1Confident113 Ų113117.6 Ų117.669%0.68560%0.603SS**Hα-helixtrans-49.4-44.9-177.5-178.70000112G696 R697 L698V694-G696 PolarHBondContact O-N 3.34Å; V694-R697 WeakPolarHBondContact O-CB 3.41Å; V694-R697 PolarHBondContact O-N 3.24Å; V694-L698 HydrophobicContact CG1-CD1 4.29Å; V694-L698 PolarHBondContact O-N 3.41Å
695R75.5Confident69.8Low191 Ų191119.7 Ų119.772%0.72161%0.607SS**Hα-helixtrans-61.4-42.6175.8-174.7177.2170.9176.85.6113.5G693 R697 L698 E699G693-R695 PolarHBondContact O-N 3.15Å; G693-R695 VanDerWaalsContact O-N 3.15Å; R695-R697 VanDerWaalsContact C-N 3.29Å; R695-R697 PolarHBondContact O-N 2.95Å; R695-L698 PolarHBondContact O-N 3.23Å; R695-E699 IonicContact CZ-OE1 2.72Å; R695-E699 IonicContact NE-OE1 2.77Å; R695-E699 PolarHBondContact NE-OE1 2.96Å; R695-E699 VanDerWaalsContact NE-OE1 3.11Å; R695-E699 IonicContact NH2-OE1 3.15Å; R695-E699 PolarHBondContact O-N 3Å
696G74.3Confident69.7Low25 Ų25120.5 Ų120.526%0.25861%0.606SS.*Hα-helixtrans-68.8-28.7176.800000112.8V692 G693 V694 A700V692-G696 WeakPolarHBondContact CG1-O 3.32Å; G693-G696 WeakPolarHBondContact O-CA 3.25Å; G693-G696 PolarHBondContact O-N 3.07Å; V694-G696 PolarHBondContact O-N 3.34Å; G696-A700 VanDerWaalsContact O-CB 3.28Å; G696-A700 WeakPolarHBondContact O-CB 3.33Å; G696-A700 PolarHBondContact O-N 2.91Å
697R75.6Confident69.3Low172 Ų172119 Ų11965%0.64960%0.601SS**Hα-helixtrans-70.2-42.8174.4-67-177.6-176.9-175.6-4.7110.2V692 G693 V694 R695 A700 Q701V692-R697 HydrophobicContact CB-CG 4.29Å; V692-R697 HydrophobicContact CG1-CB 4.37Å; V692-R697 HydrophobicContact CG1-CG 3.7Å; V692-R697 PolarHBondContact O-NE 3.11Å; G693-R697 PolarHBondContact O-N 3.47Å; V694-R697 WeakPolarHBondContact O-CB 3.41Å; V694-R697 PolarHBondContact O-N 3.24Å; R695-R697 VanDerWaalsContact C-N 3.29Å; R695-R697 PolarHBondContact O-N 2.95Å; R697-A700 PolarHBondContact O-N 3.01Å; R697-Q701 WeakPolarHBondContact O-CB 3.34Å; R697-Q701 PolarHBondContact O-N 3.08Å
698L72.9Confident69.2Low103 Ų103118.8 Ų118.854%0.53960%0.595SS.*Hα-helixtrans-63-49174.1-75.2165.8000111.7V694 R695 A700 Q701 V702V694-L698 HydrophobicContact CG1-CD1 4.29Å; V694-L698 PolarHBondContact O-N 3.41Å; R695-L698 PolarHBondContact O-N 3.23Å; L698-A700 VanDerWaalsContact C-N 3.34Å; L698-A700 PolarHBondContact O-N 3.4Å; L698-Q701 PolarHBondContact O-N 3.08Å; L698-Q701 VanDerWaalsContact O-N 3.09Å; L698-V702 WeakPolarHBondContact O-CG2 3.47Å; L698-V702 PolarHBondContact O-N 2.86Å
699E73.3Confident68.9Low90 Ų90123.9 Ų123.942%0.42160%0.599SS.*Hα-helixtrans-59.7-41.9177.1-80.3172.4-169.800112R695 Q701 V702 M703R695-E699 IonicContact CZ-OE1 2.72Å; R695-E699 IonicContact NE-OE1 2.77Å; R695-E699 PolarHBondContact NE-OE1 2.96Å; R695-E699 VanDerWaalsContact NE-OE1 3.11Å; R695-E699 IonicContact NH2-OE1 3.15Å; R695-E699 PolarHBondContact O-N 3Å; E699-Q701 VanDerWaalsContact C-N 3.32Å; E699-Q701 PolarHBondContact O-N 3.42Å; E699-V702 PolarHBondContact O-N 2.85Å; E699-M703 HydrophobicContact CB-CE 4.45Å; E699-M703 VanDerWaalsContact O-CB 3.25Å; E699-M703 WeakPolarHBondContact O-CB 3.31Å; E699-M703 WeakPolarHBondContact O-CG 3.33Å; E699-M703 PolarHBondContact O-N 3.12Å
700A73.8Confident68.4Low52 Ų52126.8 Ų126.843%0.4361%0.605SS.*Hα-helixtrans-67.2-31.1175.500000113G696 R697 L698 K704G696-A700 VanDerWaalsContact O-CB 3.28Å; G696-A700 WeakPolarHBondContact O-CB 3.33Å; G696-A700 PolarHBondContact O-N 2.91Å; R697-A700 PolarHBondContact O-N 3.01Å; L698-A700 VanDerWaalsContact C-N 3.34Å; L698-A700 PolarHBondContact O-N 3.4Å; A700-K704 VanDerWaalsContact O-CG 3.31Å; A700-K704 WeakPolarHBondContact O-CG 3.26Å; A700-K704 PolarHBondContact O-N 2.64Å; A700-K704 VanDerWaalsContact O-N 3.09Å
701Q73.1Confident67.5Low132 Ų132127.4 Ų127.462%0.61763%0.628SS**Hα-helixtrans-76.3-37.9177-169.1164-15.100111.7R697 L698 E699 S707R697-Q701 WeakPolarHBondContact O-CB 3.34Å; R697-Q701 PolarHBondContact O-N 3.08Å; L698-Q701 PolarHBondContact O-N 3.08Å; L698-Q701 VanDerWaalsContact O-N 3.09Å; E699-Q701 VanDerWaalsContact C-N 3.32Å; E699-Q701 PolarHBondContact O-N 3.42Å; Q701-S707 PolarHBondContact O-OG 2.94Å
702V71.4Confident67.7Low95 Ų95124 Ų12458%0.57662%0.616SS**Hα-helixtrans-69.4-43.6173.5174.80000110.9L698 E699 K704 S707L698-V702 WeakPolarHBondContact O-CG2 3.47Å; L698-V702 PolarHBondContact O-N 2.86Å; E699-V702 PolarHBondContact O-N 2.85Å; V702-K704 VanDerWaalsContact C-N 3.3Å; V702-K704 PolarHBondContact O-N 2.87Å; V702-S707 WeakPolarHBondContact O-CB 3.29Å
703M67Low67.6Low133 Ų133126.2 Ų126.266%0.65562%0.623SS**SBendtrans-80.3-4.2179.9-70.6-158.8-76.600114.6E699 K705E699-M703 HydrophobicContact CB-CE 4.45Å; E699-M703 VanDerWaalsContact O-CB 3.25Å; E699-M703 WeakPolarHBondContact O-CB 3.31Å; E699-M703 WeakPolarHBondContact O-CG 3.33Å; E699-M703 PolarHBondContact O-N 3.12Å; M703-K705 PolarHBondContact O-N 3.16Å
704K67.4Low67.3Low136 Ų136130.7 Ų130.759%0.59163%0.632SS**SBendtrans-61.4126.5171.4-101.1174-176.8-178.10108.3A700 V702 I706 S707A700-K704 VanDerWaalsContact O-CG 3.31Å; A700-K704 WeakPolarHBondContact O-CG 3.26Å; A700-K704 PolarHBondContact O-N 2.64Å; A700-K704 VanDerWaalsContact O-N 3.09Å; V702-K704 VanDerWaalsContact C-N 3.3Å; V702-K704 PolarHBondContact O-N 2.87Å; K704-I706 PolarHBondContact O-N 3.1Å; K704-S707 VanDerWaalsContact O-CB 3.29Å; K704-S707 WeakPolarHBondContact O-CB 2.79Å; K704-S707 PolarHBondContact O-N 3.41Å; K704-S707 PolarHBondContact O-OG 2.98Å
705K62.2Low66.6Low173 Ų173131.8 Ų131.875%0.75263%0.629SS**THydrogen-bonded Turntrans-52.7-16.8-177.5-147.5173.2-173.8177.70114.7M703M703-K705 PolarHBondContact O-N 3.16Å
706I66.8Low66.1Low126 Ų126128.1 Ų128.165%0.64662%0.623SS**THydrogen-bonded Turntrans-76.4-34.2175.6-61.1169.6000111.3K704 F708 R709K704-I706 PolarHBondContact O-N 3.1Å; I706-F708 VanDerWaalsContact C-N 3.33Å; I706-F708 PolarHBondContact O-N 3.43Å; I706-R709 PolarHBondContact O-N 2.91Å; I706-R709 VanDerWaalsContact O-N 3.1Å
707S55.7Low65.5Low50 Ų50134.9 Ų134.935%0.3565%0.647SS.*G310 helixtrans-65.7-37.7179.2-40.30000111.3Q701 V702 K704 R709 R710Q701-S707 PolarHBondContact O-OG 2.94Å; V702-S707 WeakPolarHBondContact O-CB 3.29Å; K704-S707 VanDerWaalsContact O-CB 3.29Å; K704-S707 WeakPolarHBondContact O-CB 2.79Å; K704-S707 PolarHBondContact O-N 3.41Å; K704-S707 PolarHBondContact O-OG 2.98Å; S707-R709 PolarHBondContact O-N 3.46Å; S707-R710 PolarHBondContact O-N 3.46Å
708F61.3Low64.8Low149 Ų149132.3 Ų132.365%0.65465%0.647SS**G310 helixtrans-72.9-6.6173.6-79.5-80000114.6I706I706-F708 VanDerWaalsContact C-N 3.33Å; I706-F708 PolarHBondContact O-N 3.43Å
709R62.2Low64.2Low208 Ų208134.5 Ų134.579%0.78566%0.656SS**G310 helixtrans-95.3-2.8174.5-73.7-174178.6-162.5-1.7113.4I706 S707I706-R709 PolarHBondContact O-N 2.91Å; I706-R709 VanDerWaalsContact O-N 3.1Å; S707-R709 PolarHBondContact O-N 3.46Å
710R55.1Low63.5Low231 Ų231138.3 Ų138.387%0.87268%0.675SS**  trans-113.92.1-180-84-170.6177.3-178.3-0.8114.4S707S707-R710 PolarHBondContact O-N 3.46Å
711C45.4Very low62.5Low174 Ų174146.1 Ų146.1100%1.17670%0.698SS**  trans-104.50157.4-66.80000106.9

Retrieved 711 of 711 residues in 1240.2 ms (Link to these results)

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