A0A087X7J4_POEFO Loading...

Ring finger protein 31

AlphaFold DB , UniProt , Accession A0A087X7J4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,111 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
1M39.6Very low72.8Confident244 Ų24478.2 Ų78.2100%1.20245%0.452SS*.  0154.10-74.2171.5150.900107.6
2S42.4Very low74.2Confident118 Ų11880.9 Ų80.983%0.82546%0.458SS*.PPolyproline II helixtrans-75.3131.5168.5-166.20000108.4
3S55.9Low75.5Confident62 Ų6275.6 Ų75.643%0.43443%0.428SS..PPolyproline II helixtrans-63.4153158.534.30000109.5I8S3-I8 WeakPolarHBondContact OG-CG1 3.48Å
4S74.1Confident76.7Confident44 Ų4471.3 Ų71.331%0.30840%0.401SS..PPolyproline II helixtrans-71.6159.4168.269.50000110.1E6 S7 I8S4-E6 PolarHBondContact O-N 3.13Å; S4-S7 PolarHBondContact O-N 3.41Å; S4-S7 VanDerWaalsContact OG-CB 3.25Å; S4-S7 WeakPolarHBondContact OG-CB 3.4Å; S4-S7 PolarHBondContact OG-N 3.2Å; S4-S7 VanDerWaalsContact OG-N 3.08Å; S4-I8 WeakPolarHBondContact O-CG1 3.38Å; S4-I8 PolarHBondContact O-N 2.88Å; S4-I8 VanDerWaalsContact O-N 3.1Å
5A77.2Confident77.7Confident80 Ų8073.9 Ų73.966%0.66141%0.409SS*.Hα-helixtrans-58.7-37.3175.300000111.6I8 Q9A5-I8 PolarHBondContact O-N 3.29Å; A5-Q9 WeakPolarHBondContact O-CB 3.43Å; A5-Q9 PolarHBondContact O-N 2.9Å
6E79.2Confident78.6Confident77 Ų7778 Ų7836%0.3642%0.417SS..Hα-helixtrans-67-37.8177.3-60.9148.912900112S4 I8 Q9 M10 L42S4-E6 PolarHBondContact O-N 3.13Å; E6-I8 VanDerWaalsContact C-N 3.33Å; E6-Q9 PolarHBondContact O-N 3.5Å; E6-M10 WeakPolarHBondContact O-CB 3.34Å; E6-M10 PolarHBondContact O-N 2.82Å; E6-L42 HydrophobicContact CB-CD1 4.02Å; E6-L42 HydrophobicContact CB-CD2 4.06Å; E6-L42 HydrophobicContact CB-CG 4.07Å
7S81.2Confident79.4Confident21 Ų2173.4 Ų73.415%0.14739%0.392CS..Hα-helixtrans-69.2-31.2177.2-168.40000112S4 E11 E46S4-S7 PolarHBondContact O-N 3.41Å; S4-S7 VanDerWaalsContact OG-CB 3.25Å; S4-S7 WeakPolarHBondContact OG-CB 3.4Å; S4-S7 PolarHBondContact OG-N 3.2Å; S4-S7 VanDerWaalsContact OG-N 3.08Å; S7-E11 PolarHBondContact O-N 3.29Å; S7-E46 WeakPolarHBondContact CB-OE1 3.48Å; S7-E46 PolarHBondContact OG-OE1 2.82Å
8I85Confident80.2Confident79 Ų7971.9 Ų71.941%0.40538%0.382SS..Hα-helixtrans-71.7-51.2170.2-62166.9000110.5S3 S4 A5 E6 M10 E11 E12S3-I8 WeakPolarHBondContact OG-CG1 3.48Å; S4-I8 WeakPolarHBondContact O-CG1 3.38Å; S4-I8 PolarHBondContact O-N 2.88Å; S4-I8 VanDerWaalsContact O-N 3.1Å; A5-I8 PolarHBondContact O-N 3.29Å; E6-I8 VanDerWaalsContact C-N 3.33Å; I8-M10 VanDerWaalsContact C-N 3.29Å; I8-M10 PolarHBondContact O-N 3.34Å; I8-E11 PolarHBondContact O-N 3.32Å; I8-E12 PolarHBondContact O-N 3.47Å; I8-E12 VanDerWaalsContact O-N 3.12Å
9Q87.3Confident80.7Confident90 Ų9072.1 Ų72.142%0.42139%0.39SS..Hα-helixtrans-57.3-42.1178.6-179.8-176.8-6.500111.9A5 E6 E11 E12 V13A5-Q9 WeakPolarHBondContact O-CB 3.43Å; A5-Q9 PolarHBondContact O-N 2.9Å; E6-Q9 PolarHBondContact O-N 3.5Å; Q9-E11 VanDerWaalsContact C-N 3.3Å; Q9-E11 PolarHBondContact O-N 2.94Å; Q9-E12 PolarHBondContact O-N 3.4Å; Q9-V13 WeakPolarHBondContact O-CG2 3.26Å; Q9-V13 PolarHBondContact O-N 3.11Å
10M89Confident81.2Confident3 Ų372.2 Ų72.22%0.01539%0.39CS..Hα-helixtrans-52-48.8171.6170.2-168.9-90.200111.3E6 I8 V13 R14 L37 L40 L42 K47E6-M10 WeakPolarHBondContact O-CB 3.34Å; E6-M10 PolarHBondContact O-N 2.82Å; I8-M10 VanDerWaalsContact C-N 3.29Å; I8-M10 PolarHBondContact O-N 3.34Å; M10-V13 PolarHBondContact O-N 3.5Å; M10-R14 VanDerWaalsContact CG-NH1 3.35Å; M10-R14 VanDerWaalsContact O-CB 3.27Å; M10-R14 WeakPolarHBondContact O-CB 3.4Å; M10-R14 PolarHBondContact O-N 3.08Å; M10-R14 PolarHBondContact SD-NH1 3.4Å; M10-R14 PolarHBondContact SD-NH2 3.16Å; M10-L37 HydrophobicContact CG-CD2 3.99Å; M10-L40 HydrophobicContact CB-CD1 3.69Å; M10-L40 HydrophobicContact CG-CD1 4.38Å; M10-L42 HydrophobicContact CB-CD1 4.21Å; M10-L42 HydrophobicContact CE-CB 4.27Å; M10-L42 HydrophobicContact CE-CD1 3.34Å; M10-L42 HydrophobicContact CE-CG 4.44Å; M10-L42 HydrophobicContact SD-CD1 4.1Å; M10-K47 HydrophobicContact CE-CB 4.11Å; M10-K47 HydrophobicContact CE-CG 3.83Å
11E89.9Confident81.6Confident42 Ų4268.7 Ų68.720%0.19637%0.371CS..Hα-helixtrans-69-40.7-174.3-171.663.317700112S7 I8 Q9 V13 R14 Q15 R49S7-E11 PolarHBondContact O-N 3.29Å; I8-E11 PolarHBondContact O-N 3.32Å; Q9-E11 VanDerWaalsContact C-N 3.3Å; Q9-E11 PolarHBondContact O-N 2.94Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 2.85Å; E11-R14 PolarHBondContact O-N 3.05Å; E11-R14 IonicContact OE2-CZ 3.15Å; E11-R14 IonicContact OE2-NH1 3.89Å; E11-R14 PolarHBondContact OE2-NH1 2.96Å; E11-Q15 HydrophobicContact CG-CG 4.37Å; E11-Q15 WeakPolarHBondContact O-CB 3.27Å; E11-Q15 WeakPolarHBondContact O-CG 3.43Å; E11-Q15 PolarHBondContact O-N 3.07Å; E11-Q15 PolarHBondContact OE1-NE2 3.14Å; E11-R49 VanDerWaalsContact CD-NH1 3.25Å; E11-R49 VanDerWaalsContact CD-NH2 3.33Å; E11-R49 IonicContact OE1-CZ 3.89Å; E11-R49 IonicContact OE1-NH1 2.72Å; E11-R49 PolarHBondContact OE1-NH1 2.9Å; E11-R49 IonicContact OE1-NH2 3.37Å; E11-R49 IonicContact OE2-CZ 2.7Å; E11-R49 IonicContact OE2-NH1 3.71Å; E11-R49 PolarHBondContact OE2-NH1 3.02Å; E11-R49 IonicContact OE2-NH2 3.29Å; E11-R49 PolarHBondContact OE2-NH2 3.18Å
12E89.5Confident84Confident111 Ų11158.2 Ų58.252%0.51932%0.322SS..Hα-helixtrans-61.6-36.7173.9-65.3-179.5-177.900112.4I8 Q9 R16I8-E12 PolarHBondContact O-N 3.47Å; I8-E12 VanDerWaalsContact O-N 3.12Å; Q9-E12 PolarHBondContact O-N 3.4Å; E12-R16 WeakPolarHBondContact O-CG 3.35Å; E12-R16 PolarHBondContact O-N 2.75Å; E12-R16 PolarHBondContact O-NE 2.76Å; E12-R16 PolarHBondContact O-NH2 2.74Å; E12-R16 IonicContact OE2-NH2 2.66Å
13V91.1Very high86Confident12 Ų1256.6 Ų56.67%0.07331%0.31CS..Hα-helixtrans-74.8-42.6175.51770000110.8Q9 M10 E11 Q15 R16 A17 E33 T36 L37Q9-V13 WeakPolarHBondContact O-CG2 3.26Å; Q9-V13 PolarHBondContact O-N 3.11Å; M10-V13 PolarHBondContact O-N 3.5Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 2.85Å; V13-Q15 PolarHBondContact O-N 2.98Å; V13-R16 PolarHBondContact O-N 3.32Å; V13-A17 WeakPolarHBondContact O-CB 3.42Å; V13-A17 PolarHBondContact O-N 3.23Å; V13-E33 HydrophobicContact CG1-CB 3.76Å; V13-E33 HydrophobicContact CG1-CG 4.06Å; V13-T36 HydrophobicContact CG1-CG2 4.46Å; V13-T36 HydrophobicContact CG2-CG2 4.24Å; V13-L37 HydrophobicContact CB-CD2 4.17Å; V13-L37 HydrophobicContact CB-CG 4.42Å; V13-L37 HydrophobicContact CG1-CD1 4.2Å; V13-L37 HydrophobicContact CG1-CD2 4.05Å; V13-L37 HydrophobicContact CG1-CG 3.75Å
14R92.9Very high87.4Confident15 Ų1555 Ų556%0.05730%0.299CS..Hα-helixtrans-57.3-50.2178-177.7-173.3-78.3108.71111.3M10 E11 R16 A17 Q18 K47 L155M10-R14 VanDerWaalsContact CG-NH1 3.35Å; M10-R14 VanDerWaalsContact O-CB 3.27Å; M10-R14 WeakPolarHBondContact O-CB 3.4Å; M10-R14 PolarHBondContact O-N 3.08Å; M10-R14 PolarHBondContact SD-NH1 3.4Å; M10-R14 PolarHBondContact SD-NH2 3.16Å; E11-R14 PolarHBondContact O-N 3.05Å; E11-R14 IonicContact OE2-CZ 3.15Å; E11-R14 IonicContact OE2-NH1 3.89Å; E11-R14 PolarHBondContact OE2-NH1 2.96Å; R14-R16 PolarHBondContact O-N 2.93Å; R14-A17 PolarHBondContact O-N 3.18Å; R14-Q18 VanDerWaalsContact O-CB 3.29Å; R14-Q18 WeakPolarHBondContact O-CB 3.14Å; R14-Q18 PolarHBondContact O-N 3Å; R14-K47 PolarHBondContact NH2-O 3.07Å; R14-L155 HydrophobicContact CG-CD2 3.94Å
15Q91.8Very high87.8Confident111 Ų11153 Ų5352%0.51929%0.286SS..Hα-helixtrans-65.6-38.8-177.7-69.5178.98.400112.4E11 V13 S19E11-Q15 HydrophobicContact CG-CG 4.37Å; E11-Q15 WeakPolarHBondContact O-CB 3.27Å; E11-Q15 WeakPolarHBondContact O-CG 3.43Å; E11-Q15 PolarHBondContact O-N 3.07Å; E11-Q15 PolarHBondContact OE1-NE2 3.14Å; V13-Q15 PolarHBondContact O-N 2.98Å; Q15-S19 WeakPolarHBondContact O-CB 3.36Å; Q15-S19 PolarHBondContact O-N 3.33Å; Q15-S19 VanDerWaalsContact O-N 3.14Å
16R91.1Very high88.2Confident139 Ų13953.9 Ų53.953%0.52528%0.279SS..Hα-helixtrans-63.1-50.1173.3-79.3178.3-75.3-174.1-7.7111.9E12 V13 R14 Q18 S19 L20E12-R16 WeakPolarHBondContact O-CG 3.35Å; E12-R16 PolarHBondContact O-N 2.75Å; E12-R16 PolarHBondContact O-NE 2.76Å; E12-R16 PolarHBondContact O-NH2 2.74Å; E12-R16 IonicContact OE2-NH2 2.66Å; V13-R16 PolarHBondContact O-N 3.32Å; R14-R16 PolarHBondContact O-N 2.93Å; R16-Q18 PolarHBondContact O-N 3.22Å; R16-S19 PolarHBondContact O-N 2.99Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 3.47Å; R16-L20 VanDerWaalsContact O-N 3.1Å
17A92.4Very high88.4Confident0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-64.2-41-179.500000112.5V13 R14 S19 L20 L21 V30 E33 L155V13-A17 WeakPolarHBondContact O-CB 3.42Å; V13-A17 PolarHBondContact O-N 3.23Å; R14-A17 PolarHBondContact O-N 3.18Å; A17-S19 VanDerWaalsContact C-N 3.35Å; A17-S19 PolarHBondContact O-N 3.04Å; A17-L20 PolarHBondContact O-N 2.86Å; A17-L21 WeakPolarHBondContact O-CB 3.41Å; A17-L21 PolarHBondContact O-N 3.34Å; A17-V30 HydrophobicContact CB-CB 4.32Å; A17-V30 HydrophobicContact CB-CG1 4.13Å; A17-V30 VanDerWaalsContact O-CG1 3.31Å; A17-V30 WeakPolarHBondContact O-CG1 3.43Å; A17-E33 HydrophobicContact CB-CB 3.68Å; A17-E33 HydrophobicContact CB-CG 4Å; A17-L155 HydrophobicContact CB-CD1 3.63Å; A17-L155 HydrophobicContact CB-CD2 3.72Å; A17-L155 HydrophobicContact CB-CG 4.34Å
18Q93.3Very high88.6Confident47 Ų4758.8 Ų58.822%0.2231%0.305CS..Hα-helixtrans-60-44.6175.7-174.6-177.4-6.100111.4R14 R16 L21 S22 D148 A151 A152 L155R14-Q18 VanDerWaalsContact O-CB 3.29Å; R14-Q18 WeakPolarHBondContact O-CB 3.14Å; R14-Q18 PolarHBondContact O-N 3Å; R16-Q18 PolarHBondContact O-N 3.22Å; Q18-L21 PolarHBondContact O-N 2.86Å; Q18-S22 PolarHBondContact O-N 3.11Å; Q18-S22 PolarHBondContact O-OG 3.21Å; Q18-D148 PolarHBondContact NE2-O 3.34Å; Q18-A151 HydrophobicContact CG-CB 3.95Å; Q18-A152 HydrophobicContact CG-CB 4.44Å; Q18-L155 HydrophobicContact CB-CD2 4.47Å
19S91.3Very high88.7Confident75 Ų7558.5 Ų58.552%0.52430%0.304SS..Hα-helixtrans-66.1-36.1179.5-173.90000113.4Q15 R16 A17 S23Q15-S19 WeakPolarHBondContact O-CB 3.36Å; Q15-S19 PolarHBondContact O-N 3.33Å; Q15-S19 VanDerWaalsContact O-N 3.14Å; R16-S19 PolarHBondContact O-N 2.99Å; A17-S19 VanDerWaalsContact C-N 3.35Å; A17-S19 PolarHBondContact O-N 3.04Å; S19-S23 WeakPolarHBondContact O-CB 3.47Å; S19-S23 PolarHBondContact O-OG 3.29Å
20L89.8Confident88.9Confident73 Ų7354.2 Ų54.238%0.38228%0.284SS..Hα-helixtrans-66.7-46.8171.3-68.4169.7000110.9R16 A17 S22 S23 S24 V30R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 3.47Å; R16-L20 VanDerWaalsContact O-N 3.1Å; A17-L20 PolarHBondContact O-N 2.86Å; L20-S22 PolarHBondContact O-N 2.9Å; L20-S23 PolarHBondContact O-N 3.28Å; L20-S23 PolarHBondContact O-OG 2.95Å; L20-S23 VanDerWaalsContact O-OG 3.07Å; L20-S24 PolarHBondContact O-N 3.06Å; L20-S24 PolarHBondContact O-OG 3.3Å; L20-V30 HydrophobicContact CB-CG1 3.78Å; L20-V30 HydrophobicContact CD1-CG1 4.4Å
21L90.4Very high89Confident0 Ų060.5 Ų60.50%031%0.311CS..Hα-helixtrans-72.5-28-175.2-168.359.7000113.9A17 Q18 S23 G25 V30 T91 A151 T154 L155 M158A17-L21 WeakPolarHBondContact O-CB 3.41Å; A17-L21 PolarHBondContact O-N 3.34Å; Q18-L21 PolarHBondContact O-N 2.86Å; L21-S23 VanDerWaalsContact C-N 3.31Å; L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 3.46Å; L21-V30 HydrophobicContact CB-CG1 4.11Å; L21-V30 HydrophobicContact CD1-CG2 4.37Å; L21-T91 VanDerWaalsContact O-CB 3.23Å; L21-T91 WeakPolarHBondContact O-CB 3.43Å; L21-T91 PolarHBondContact O-OG1 3.22Å; L21-A151 HydrophobicContact CB-CB 4.2Å; L21-A151 HydrophobicContact CG-CB 4.38Å; L21-T154 HydrophobicContact CD2-CG2 3.88Å; L21-L155 HydrophobicContact CD2-CB 4.4Å; L21-M158 HydrophobicContact CD2-SD 4.07Å
22S90.1Very high89Confident24 Ų2461.2 Ų61.217%0.16833%0.325CS..Hα-helixtrans-78.5-12.6172.770.20000113.7Q18 L20 C147 D148Q18-S22 PolarHBondContact O-N 3.11Å; Q18-S22 PolarHBondContact O-OG 3.21Å; L20-S22 PolarHBondContact O-N 2.9Å; S22-C147 WeakPolarHBondContact CB-O 3.5Å; S22-D148 VanDerWaalsContact CB-OD1 3.22Å; S22-D148 WeakPolarHBondContact CB-OD1 3.39Å; S22-D148 PolarHBondContact OG-OD1 2.73Å
23S84.1Confident89.2Confident83 Ų8358.4 Ų58.458%0.5831%0.312SS*.Hα-helixtrans-107.4-34.8-179.556.60000115.1S19 L20 L21S19-S23 WeakPolarHBondContact O-CB 3.47Å; S19-S23 PolarHBondContact O-OG 3.29Å; L20-S23 PolarHBondContact O-N 3.28Å; L20-S23 PolarHBondContact O-OG 2.95Å; L20-S23 VanDerWaalsContact O-OG 3.07Å; L21-S23 VanDerWaalsContact C-N 3.31Å
24S84.6Confident89.3Confident28 Ų2858 Ų5820%0.19631%0.309CS..Hα-helixtrans-100.7-34.5174.878.90000114.1L20 L26 D29 P93L20-S24 PolarHBondContact O-N 3.06Å; L20-S24 PolarHBondContact O-OG 3.3Å; S24-L26 PolarHBondContact O-N 3.46Å; S24-L26 PolarHBondContact OG-N 3.44Å; S24-L26 VanDerWaalsContact OG-N 3.1Å; S24-D29 WeakPolarHBondContact CB-OD2 3.35Å; S24-D29 PolarHBondContact OG-OD2 2.84Å; S24-P93 WeakPolarHBondContact O-CD 3.4Å
25G83.8Confident89.3Confident4 Ų461 Ų614%0.04133%0.326CS..  trans67.411.2-169.300000115.1L21 C88 T91L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 3.46Å; G25-C88 WeakPolarHBondContact O-CB 3.15Å; G25-T91 VanDerWaalsContact CA-OG1 3.26Å; G25-T91 WeakPolarHBondContact CA-OG1 3.31Å
26L83.9Confident89.2Confident97 Ų9758.3 Ų58.351%0.50832%0.317SS..  trans-96.8120.9-178-60.9178000111.9S24 Q28 D29S24-L26 PolarHBondContact O-N 3.46Å; S24-L26 PolarHBondContact OG-N 3.44Å; S24-L26 VanDerWaalsContact OG-N 3.1Å; L26-Q28 PolarHBondContact O-N 3.47Å; L26-Q28 VanDerWaalsContact O-N 3.11Å; L26-D29 PolarHBondContact O-N 3.38Å; L26-D29 VanDerWaalsContact O-N 3.16Å
27A84.8Confident89.3Confident33 Ų3352.1 Ų52.127%0.27329%0.294SS..THydrogen-bonded Turntrans-60.9-20177.800000114.5M158A27-M158 HydrophobicContact CB-CE 3.62Å
28Q85.1Confident89.3Confident169 Ų16952.1 Ų52.179%0.7929%0.294SS*.THydrogen-bonded Turntrans-74-31.3177.2-87.7166.4-94.600113.2L26 V30 K31L26-Q28 PolarHBondContact O-N 3.47Å; L26-Q28 VanDerWaalsContact O-N 3.11Å; Q28-V30 VanDerWaalsContact C-N 3.29Å; Q28-V30 PolarHBondContact O-N 2.89Å; Q28-K31 WeakPolarHBondContact O-CB 3.38Å; Q28-K31 PolarHBondContact O-N 2.74Å
29D86.3Confident89.1Confident72 Ų7252.1 Ų52.139%0.38530%0.3SS..THydrogen-bonded Turntrans-72.5-24.6-172.3-61-11000112.6S24 L26S24-D29 WeakPolarHBondContact CB-OD2 3.35Å; S24-D29 PolarHBondContact OG-OD2 2.84Å; L26-D29 PolarHBondContact O-N 3.38Å; L26-D29 VanDerWaalsContact O-N 3.16Å
30V91.6Very high89.1Confident0 Ų049.3 Ų49.30%028%0.279CS..THydrogen-bonded Turntrans-106.711.5179.8-61.80000113.3A17 L20 L21 Q28 A32 E33 V34 M158A17-V30 HydrophobicContact CB-CB 4.32Å; A17-V30 HydrophobicContact CB-CG1 4.13Å; A17-V30 VanDerWaalsContact O-CG1 3.31Å; A17-V30 WeakPolarHBondContact O-CG1 3.43Å; L20-V30 HydrophobicContact CB-CG1 3.78Å; L20-V30 HydrophobicContact CD1-CG1 4.4Å; L21-V30 HydrophobicContact CB-CG1 4.11Å; L21-V30 HydrophobicContact CD1-CG2 4.37Å; Q28-V30 VanDerWaalsContact C-N 3.29Å; Q28-V30 PolarHBondContact O-N 2.89Å; V30-A32 VanDerWaalsContact C-N 3.31Å; V30-A32 PolarHBondContact O-N 3.49Å; V30-E33 VanDerWaalsContact C-OE2 3.3Å; V30-E33 WeakPolarHBondContact CA-OE2 3.13Å; V30-E33 PolarHBondContact O-N 3.35Å; V30-V34 HydrophobicContact CG2-CG2 4.19Å; V30-V34 WeakPolarHBondContact O-CB 3.39Å; V30-V34 WeakPolarHBondContact O-CG2 3.28Å; V30-V34 PolarHBondContact O-N 2.99Å; V30-M158 HydrophobicContact CG2-CE 3.75Å; V30-M158 HydrophobicContact CG2-SD 4.01Å
31K90.8Very high89Confident135 Ų13547.9 Ų47.959%0.58728%0.275SS*.Hα-helixtrans-64.2-34.8-172-176.6179.8176-175.90112.7Q28 L35Q28-K31 WeakPolarHBondContact O-CB 3.38Å; Q28-K31 PolarHBondContact O-N 2.74Å; K31-L35 HydrophobicContact CG-CD1 4.4Å; K31-L35 WeakPolarHBondContact O-CD1 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.49Å; K31-L35 PolarHBondContact O-N 2.97Å
32A90Very high88.8Confident58 Ų5848.1 Ų48.148%0.47928%0.276SS..Hα-helixtrans-72.9-39.117900000111.3V30 L35 T36V30-A32 VanDerWaalsContact C-N 3.31Å; V30-A32 PolarHBondContact O-N 3.49Å; A32-L35 PolarHBondContact O-N 3Å; A32-T36 WeakPolarHBondContact O-CB 3.49Å; A32-T36 PolarHBondContact O-N 2.96Å; A32-T36 PolarHBondContact O-OG1 3.42Å
33E93.4Very high88.5Confident51 Ų5150 Ų5024%0.23829%0.288CS..Hα-helixtrans-67.8-43.8178.1-66.365.9-152.700110.8V13 A17 V30 T36 L37V13-E33 HydrophobicContact CG1-CB 3.76Å; V13-E33 HydrophobicContact CG1-CG 4.06Å; A17-E33 HydrophobicContact CB-CB 3.68Å; A17-E33 HydrophobicContact CB-CG 4Å; V30-E33 VanDerWaalsContact C-OE2 3.3Å; V30-E33 WeakPolarHBondContact CA-OE2 3.13Å; V30-E33 PolarHBondContact O-N 3.35Å; E33-T36 WeakPolarHBondContact O-CB 3.29Å; E33-T36 PolarHBondContact O-N 3.32Å; E33-L37 WeakPolarHBondContact O-CB 3.35Å; E33-L37 VanDerWaalsContact O-CG 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.21Å; E33-L37 PolarHBondContact O-N 2.91Å
34V94.1Very high88.6Confident4 Ų446.3 Ų46.32%0.02426%0.262CS..Hα-helixtrans-61.1-43.4173.91670000111.5V30 T36 A38 L155 M158 T162V30-V34 HydrophobicContact CG2-CG2 4.19Å; V30-V34 WeakPolarHBondContact O-CB 3.39Å; V30-V34 WeakPolarHBondContact O-CG2 3.28Å; V30-V34 PolarHBondContact O-N 2.99Å; V34-T36 VanDerWaalsContact C-N 3.35Å; V34-A38 WeakPolarHBondContact O-CB 3.15Å; V34-A38 PolarHBondContact O-N 3.46Å; V34-L155 HydrophobicContact CG2-CD1 3.73Å; V34-M158 HydrophobicContact CG1-CB 4.12Å; V34-M158 HydrophobicContact CG2-CB 3.85Å; V34-M158 HydrophobicContact CG2-CE 4.18Å; V34-M158 HydrophobicContact CG2-SD 4.41Å; V34-T162 HydrophobicContact CG1-CG2 4.44Å; V34-T162 WeakPolarHBondContact CG1-OG1 3.28Å
35L92.1Very high88.5Confident77 Ų7749.1 Ų49.140%0.40328%0.282SS..Hα-helixtrans-64.6-39.3174.3-76.4166.7000112K31 A32 S39 T162K31-L35 HydrophobicContact CG-CD1 4.4Å; K31-L35 WeakPolarHBondContact O-CD1 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.49Å; K31-L35 PolarHBondContact O-N 2.97Å; A32-L35 PolarHBondContact O-N 3Å; L35-S39 WeakPolarHBondContact O-CB 3.3Å; L35-S39 PolarHBondContact O-N 3.36Å; L35-S39 PolarHBondContact O-OG 3.23Å; L35-T162 HydrophobicContact CD2-CG2 3.88Å
36T91.2Very high88.5Confident56 Ų5652.7 Ų52.734%0.34430%0.297SS..Hα-helixtrans-63.5-51.7176.6-58.40000110.9V13 A32 E33 V34 A38 S39 L40V13-T36 HydrophobicContact CG1-CG2 4.46Å; V13-T36 HydrophobicContact CG2-CG2 4.24Å; A32-T36 WeakPolarHBondContact O-CB 3.49Å; A32-T36 PolarHBondContact O-N 2.96Å; A32-T36 PolarHBondContact O-OG1 3.42Å; E33-T36 WeakPolarHBondContact O-CB 3.29Å; E33-T36 PolarHBondContact O-N 3.32Å; V34-T36 VanDerWaalsContact C-N 3.35Å; T36-A38 PolarHBondContact O-N 3.21Å; T36-S39 PolarHBondContact O-N 3.08Å; T36-S39 VanDerWaalsContact O-N 3.14Å; T36-L40 PolarHBondContact O-N 3.33Å
37L91.7Very high88.7Confident8 Ų848.5 Ų48.54%0.04228%0.275CS..Hα-helixtrans-58.6-47.6177.3-72.7168.1000111.3M10 V13 E33 S39 L40 K47 L155 T159M10-L37 HydrophobicContact CG-CD2 3.99Å; V13-L37 HydrophobicContact CB-CD2 4.17Å; V13-L37 HydrophobicContact CB-CG 4.42Å; V13-L37 HydrophobicContact CG1-CD1 4.2Å; V13-L37 HydrophobicContact CG1-CD2 4.05Å; V13-L37 HydrophobicContact CG1-CG 3.75Å; E33-L37 WeakPolarHBondContact O-CB 3.35Å; E33-L37 VanDerWaalsContact O-CG 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.21Å; E33-L37 PolarHBondContact O-N 2.91Å; L37-S39 PolarHBondContact O-N 2.67Å; L37-L40 HydrophobicContact CD2-CD1 4.39Å; L37-L40 PolarHBondContact O-N 3.22Å; L37-K47 WeakPolarHBondContact O-CE 3.16Å; L37-K47 PolarHBondContact O-NZ 3.05Å; L37-K47 VanDerWaalsContact O-NZ 3.16Å; L37-L155 HydrophobicContact CD1-CD1 4.02Å; L37-L155 HydrophobicContact CD1-CD2 4.24Å; L37-L155 HydrophobicContact CD1-CG 4.18Å; L37-T159 HydrophobicContact CB-CG2 3.94Å
38A92.2Very high89Confident0 Ų047.7 Ų47.70%027%0.265CS..Hα-helixtrans-58.8-35.8177.400000111.7V34 T36 L40 K47 T159 T162 E163 M166V34-A38 WeakPolarHBondContact O-CB 3.15Å; V34-A38 PolarHBondContact O-N 3.46Å; T36-A38 PolarHBondContact O-N 3.21Å; A38-L40 PolarHBondContact O-N 3.39Å; A38-K47 PolarHBondContact O-NZ 2.78Å; A38-T159 HydrophobicContact CB-CG2 4.19Å; A38-T162 HydrophobicContact CB-CG2 4.08Å; A38-E163 HydrophobicContact CB-CG 3.71Å; A38-M166 HydrophobicContact CB-CE 3.64Å
39S90.8Very high89.2Confident47 Ų4746.2 Ų46.233%0.32925%0.252SS..THydrogen-bonded Turntrans-77.5-8.2-179-55.10000115.5L35 T36 L37 H174L35-S39 WeakPolarHBondContact O-CB 3.3Å; L35-S39 PolarHBondContact O-N 3.36Å; L35-S39 PolarHBondContact O-OG 3.23Å; T36-S39 PolarHBondContact O-N 3.08Å; T36-S39 VanDerWaalsContact O-N 3.14Å; L37-S39 PolarHBondContact O-N 2.67Å; S39-H174 PolarHBondContact O-CD2 3.39Å
40L89.8Confident89.3Confident17 Ų1746.5 Ų46.59%0.08925%0.251CS..SBendtrans-72.7136.1-178.1-67.9176.3000113.4M10 T36 L37 A38 L42 K47M10-L40 HydrophobicContact CB-CD1 3.69Å; M10-L40 HydrophobicContact CG-CD1 4.38Å; T36-L40 PolarHBondContact O-N 3.33Å; L37-L40 HydrophobicContact CD2-CD1 4.39Å; L37-L40 PolarHBondContact O-N 3.22Å; A38-L40 PolarHBondContact O-N 3.39Å; L40-L42 HydrophobicContact CB-CD1 4.37Å; L40-L42 HydrophobicContact CD1-CD1 4.38Å; L40-L42 PolarHBondContact O-N 2.99Å; L40-K47 PolarHBondContact O-NZ 2.73Å
41S87.9Confident89.3Confident42 Ų4246.8 Ų46.829%0.29425%0.252SS..  trans-73.445.3179-173.50000114.4
42L86.3Confident89.2Confident6 Ų642.6 Ų42.63%0.03124%0.238CC..  trans-109.9141.2-177.3-70.9168000111.8E6 M10 L40E6-L42 HydrophobicContact CB-CD1 4.02Å; E6-L42 HydrophobicContact CB-CD2 4.06Å; E6-L42 HydrophobicContact CB-CG 4.07Å; M10-L42 HydrophobicContact CB-CD1 4.21Å; M10-L42 HydrophobicContact CE-CB 4.27Å; M10-L42 HydrophobicContact CE-CD1 3.34Å; M10-L42 HydrophobicContact CE-CG 4.44Å; M10-L42 HydrophobicContact SD-CD1 4.1Å; L40-L42 HydrophobicContact CB-CD1 4.37Å; L40-L42 HydrophobicContact CD1-CD1 4.38Å; L40-L42 PolarHBondContact O-N 2.99Å
43P84.9Confident89.2Confident64 Ų6439.9 Ų39.942%0.41622%0.216SC..  trans-57.4145.1175.8-22.933.4000112.1S45 E46 K47P43-S45 PolarHBondContact O-N 3.19Å; P43-S45 VanDerWaalsContact O-N 3.08Å; P43-E46 PolarHBondContact O-N 3.03Å; P43-K47 WeakPolarHBondContact O-CB 3.45Å; P43-K47 PolarHBondContact O-N 2.92Å
44V85.7Confident89Confident4 Ų440.7 Ų40.72%0.02422%0.22CC..Hα-helixtrans-53.9-34.7179.9-179.10000112.2E46 K47 Y48 A53 E54 F178 I181V44-E46 VanDerWaalsContact C-N 3.33Å; V44-E46 PolarHBondContact O-N 3.17Å; V44-K47 PolarHBondContact O-N 3.08Å; V44-Y48 HydrophobicContact CG1-CD2 3.82Å; V44-Y48 HydrophobicContact CG1-CE2 4.15Å; V44-Y48 WeakPolarHBondContact O-CD2 3.27Å; V44-Y48 PolarHBondContact O-N 3.1Å; V44-A53 HydrophobicContact CG1-CB 3.7Å; V44-E54 HydrophobicContact CG1-CB 4.12Å; V44-F178 HydrophobicContact CG2-CD1 3.92Å; V44-F178 HydrophobicContact CG2-CE1 3.44Å; V44-F178 VanDerWaalsContact CG2-CE1 3.44Å; V44-F178 HydrophobicContact CG2-CZ 3.78Å; V44-I181 HydrophobicContact CB-CD1 3.77Å; V44-I181 HydrophobicContact CG1-CD1 4.42Å; V44-I181 HydrophobicContact CG2-CD1 3.49Å; V44-I181 VanDerWaalsContact CG2-CD1 3.49Å
45S82.4Confident88.7Confident88 Ų8845 Ų4562%0.61524%0.239SC*.Hα-helixtrans-72.2-15.7177.251.90000115.6P43P43-S45 PolarHBondContact O-N 3.19Å; P43-S45 VanDerWaalsContact O-N 3.08Å
46E84.3Confident88.7Confident79 Ų7941.4 Ų41.437%0.36922%0.22SC..Hα-helixtrans-98.9-24.6168.2-172.8171.1178.300111.6S7 P43 V44S7-E46 WeakPolarHBondContact CB-OE1 3.48Å; S7-E46 PolarHBondContact OG-OE1 2.82Å; P43-E46 PolarHBondContact O-N 3.03Å; V44-E46 VanDerWaalsContact C-N 3.33Å; V44-E46 PolarHBondContact O-N 3.17Å
47K87.3Confident88.7Confident8 Ų838.7 Ų38.74%0.03520%0.204CC..Hα-helixtrans-73.6-31.8-174.1-158159.4-169.7168.30113.8M10 R14 L37 A38 L40 P43 V44 E163M10-K47 HydrophobicContact CE-CB 4.11Å; M10-K47 HydrophobicContact CE-CG 3.83Å; R14-K47 PolarHBondContact NH2-O 3.07Å; L37-K47 WeakPolarHBondContact O-CE 3.16Å; L37-K47 PolarHBondContact O-NZ 3.05Å; L37-K47 VanDerWaalsContact O-NZ 3.16Å; A38-K47 PolarHBondContact O-NZ 2.78Å; L40-K47 PolarHBondContact O-NZ 2.73Å; P43-K47 WeakPolarHBondContact O-CB 3.45Å; P43-K47 PolarHBondContact O-N 2.92Å; V44-K47 PolarHBondContact O-N 3.08Å; K47-E163 WeakPolarHBondContact CE-OE1 3.21Å; K47-E163 IonicContact NZ-OE1 3.1Å; K47-E163 PolarHBondContact NZ-OE1 3.05Å
48Y91.7Very high88.5Confident17 Ų1742.4 Ų42.47%0.06722%0.22CC..  trans-119.7127.8-175.6-62.5-82000111.9V44 L51 A53 E156 T159 L160 E163V44-Y48 HydrophobicContact CG1-CD2 3.82Å; V44-Y48 HydrophobicContact CG1-CE2 4.15Å; V44-Y48 WeakPolarHBondContact O-CD2 3.27Å; V44-Y48 PolarHBondContact O-N 3.1Å; Y48-L51 VanDerWaalsContact CB-O 3.28Å; Y48-L51 WeakPolarHBondContact CB-O 3.49Å; Y48-L51 HydrophobicContact CD1-CB 4.15Å; Y48-L51 HydrophobicContact CD1-CD2 4.3Å; Y48-L51 HydrophobicContact CE1-CD2 4.49Å; Y48-A53 HydrophobicContact CD1-CB 4.11Å; Y48-A53 HydrophobicContact CD2-CB 3.38Å; Y48-A53 HydrophobicContact CE2-CB 3.89Å; Y48-A53 HydrophobicContact CG-CB 3.52Å; Y48-E156 HydrophobicContact CD1-CB 3.83Å; Y48-E156 HydrophobicContact CD1-CG 3.88Å; Y48-E156 HydrophobicContact CE1-CB 4.15Å; Y48-E156 HydrophobicContact CE1-CG 4.4Å; Y48-E156 WeakPolarHBondContact CE1-O 3.17Å; Y48-T159 WeakPolarHBondContact OH-CG2 3.24Å; Y48-L160 HydrophobicContact CE1-CB 3.94Å; Y48-L160 HydrophobicContact CE2-CD1 4.34Å; Y48-L160 WeakPolarHBondContact OH-CA 3.45Å; Y48-L160 PolarHBondContact OH-N 3.08Å; Y48-E163 WeakPolarHBondContact CE2-OE2 3.44Å; Y48-E163 PolarHBondContact OH-OE2 3.45Å
49R88.3Confident88.2Confident137 Ų13747.5 Ų47.552%0.51724%0.244SC..SBendtrans-104.5-36.4-179.8-66.6-176.2178.2153.67.6113.2E11 E156E11-R49 VanDerWaalsContact CD-NH1 3.25Å; E11-R49 VanDerWaalsContact CD-NH2 3.33Å; E11-R49 IonicContact OE1-CZ 3.89Å; E11-R49 IonicContact OE1-NH1 2.72Å; E11-R49 PolarHBondContact OE1-NH1 2.9Å; E11-R49 IonicContact OE1-NH2 3.37Å; E11-R49 IonicContact OE2-CZ 2.7Å; E11-R49 IonicContact OE2-NH1 3.71Å; E11-R49 PolarHBondContact OE2-NH1 3.02Å; E11-R49 IonicContact OE2-NH2 3.29Å; E11-R49 PolarHBondContact OE2-NH2 3.18Å; R49-E156 PolarHBondContact N-OE1 2.78Å; R49-E156 PolarHBondContact N-OE2 2.9Å
50H90.1Very high88.1Confident78 Ų7846.3 Ų46.336%0.36123%0.233SC..SBendtrans-103.1-39.7-176.1-55.3-88.1000110.6L125 V153 E156H50-L125 VanDerWaalsContact O-CD1 3.3Å; H50-L125 WeakPolarHBondContact O-CD1 3.17Å; H50-V153 HydrophobicContact CB-CG2 3.94Å; H50-E156 WeakPolarHBondContact CA-OE2 3.42Å; H50-E156 IonicContact CD2-OE1 2.7Å; H50-E156 PolarHBondContact N-OE2 3.24Å
51L91.3Very high87.8Confident7 Ų745.5 Ų45.54%0.03723%0.23CC..SBendtrans-84127.6178.2-162.171.2000110.9Y48 A53 M56 V122 E156 V157 L160Y48-L51 VanDerWaalsContact CB-O 3.28Å; Y48-L51 WeakPolarHBondContact CB-O 3.49Å; Y48-L51 HydrophobicContact CD1-CB 4.15Å; Y48-L51 HydrophobicContact CD1-CD2 4.3Å; Y48-L51 HydrophobicContact CE1-CD2 4.49Å; L51-A53 HydrophobicContact CD2-CB 4.38Å; L51-A53 PolarHBondContact O-N 3.49Å; L51-M56 HydrophobicContact CD1-CE 3.96Å; L51-V122 HydrophobicContact CD1-CG2 3.64Å; L51-E156 HydrophobicContact CB-CB 4.19Å; L51-E156 WeakPolarHBondContact CB-OE2 3.46Å; L51-E156 PolarHBondContact N-OE2 3.5Å; L51-V157 HydrophobicContact CD1-CG2 4.31Å; L51-L160 HydrophobicContact CD2-CB 4.08Å; L51-L160 HydrophobicContact CD2-CD2 3.55Å; L51-L160 HydrophobicContact CD2-CG 4.45Å
52T88.1Confident86.9Confident46 Ų4647.8 Ų47.828%0.28225%0.251SS..  trans-77.658.217223.50000110.4E54 E55 M56 R121T52-E54 PolarHBondContact O-N 2.98Å; T52-E55 PolarHBondContact O-N 2.89Å; T52-M56 WeakPolarHBondContact O-CB 3.1Å; T52-M56 PolarHBondContact O-N 3.46Å; T52-R121 PolarHBondContact OG1-NE 2.76Å; T52-R121 PolarHBondContact OG1-NH2 3.36Å
53A89.5Confident85.9Confident2 Ų248.8 Ų48.82%0.01726%0.262CS..Hα-helixtrans-60.4-41.4-169.100000113.3V44 Y48 L51 M56 L57 L160V44-A53 HydrophobicContact CG1-CB 3.7Å; Y48-A53 HydrophobicContact CD1-CB 4.11Å; Y48-A53 HydrophobicContact CD2-CB 3.38Å; Y48-A53 HydrophobicContact CE2-CB 3.89Å; Y48-A53 HydrophobicContact CG-CB 3.52Å; L51-A53 HydrophobicContact CD2-CB 4.38Å; L51-A53 PolarHBondContact O-N 3.49Å; A53-M56 PolarHBondContact O-N 3.28Å; A53-L57 WeakPolarHBondContact O-CB 3.25Å; A53-L57 VanDerWaalsContact O-CG 3.27Å; A53-L57 WeakPolarHBondContact O-CG 3.36Å; A53-L57 PolarHBondContact O-N 2.96Å; A53-L160 HydrophobicContact CB-CD1 4.23Å; A53-L160 HydrophobicContact CB-CD2 4.09Å
54E89.8Confident84.7Confident68 Ų6857.2 Ų57.232%0.31829%0.286SS..Hα-helixtrans-63.9-42.6178-173.3-178150.700112.3V44 T52 K58 I181V44-E54 HydrophobicContact CG1-CB 4.12Å; T52-E54 PolarHBondContact O-N 2.98Å; E54-K58 HydrophobicContact CG-CD 4.18Å; E54-K58 WeakPolarHBondContact O-CB 3.14Å; E54-K58 WeakPolarHBondContact O-CG 3.12Å; E54-K58 PolarHBondContact O-N 3.46Å; E54-K58 VanDerWaalsContact O-N 3.1Å; E54-K58 IonicContact OE1-NZ 2.8Å; E54-K58 PolarHBondContact OE1-NZ 3.5Å; E54-I181 HydrophobicContact CG-CD1 4.02Å; E54-I181 HydrophobicContact CG-CG1 4.12Å; E54-I181 HydrophobicContact CG-CG2 4.2Å
55E88.5Confident84.1Confident94 Ų9460.3 Ų60.344%0.43930%0.302SS..Hα-helixtrans-63.4-48.5173.2-60.3-176.6166.800110.5T52 L57 K58 E59 R121T52-E55 PolarHBondContact O-N 2.89Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.38Å; E55-K58 PolarHBondContact O-N 2.89Å; E55-E59 WeakPolarHBondContact O-CB 3.48Å; E55-E59 WeakPolarHBondContact O-CG 3.31Å; E55-E59 PolarHBondContact O-N 3.26Å; E55-R121 IonicContact OE2-CZ 2.7Å; E55-R121 IonicContact OE2-NH1 2.75Å; E55-R121 PolarHBondContact OE2-NH1 2.77Å; E55-R121 IonicContact OE2-NH2 3.38Å; E55-R121 PolarHBondContact OE2-NH2 3.24Å
56M91.5Very high83.8Confident1 Ų160.6 Ų60.61%0.00530%0.297CS..Hα-helixtrans-60-39.3-178.6-176.6178.2-73.200112L51 T52 A53 N60 L76 L80 V122 L160L51-M56 HydrophobicContact CD1-CE 3.96Å; T52-M56 WeakPolarHBondContact O-CB 3.1Å; T52-M56 PolarHBondContact O-N 3.46Å; A53-M56 PolarHBondContact O-N 3.28Å; M56-N60 WeakPolarHBondContact O-CB 3.34Å; M56-N60 PolarHBondContact O-N 3.37Å; M56-N60 PolarHBondContact O-ND2 3.13Å; M56-L76 HydrophobicContact CG-CD1 4.12Å; M56-L76 HydrophobicContact SD-CD1 4.11Å; M56-L80 HydrophobicContact SD-CD2 4.08Å; M56-V122 HydrophobicContact CE-CG2 3.81Å; M56-L160 HydrophobicContact SD-CD2 4.02Å
57L90.2Very high83.4Confident0 Ų062.6 Ų62.60%031%0.309CS..Hα-helixtrans-66.5-49.9174.4-71.2169.9000111A53 E55 E59 N60 T61 L73 L76 L160 V164 F178 I181 I182A53-L57 WeakPolarHBondContact O-CB 3.25Å; A53-L57 VanDerWaalsContact O-CG 3.27Å; A53-L57 WeakPolarHBondContact O-CG 3.36Å; A53-L57 PolarHBondContact O-N 2.96Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.38Å; L57-E59 PolarHBondContact O-N 3.01Å; L57-N60 PolarHBondContact O-N 2.92Å; L57-T61 WeakPolarHBondContact O-CB 3.33Å; L57-T61 VanDerWaalsContact O-CG2 3.28Å; L57-T61 WeakPolarHBondContact O-CG2 3.45Å; L57-T61 PolarHBondContact O-N 2.87Å; L57-T61 VanDerWaalsContact O-N 3.08Å; L57-T61 PolarHBondContact O-OG1 3.31Å; L57-L73 HydrophobicContact CD2-CD2 4.34Å; L57-L76 HydrophobicContact CD2-CD2 3.8Å; L57-L160 HydrophobicContact CD1-CD1 4.14Å; L57-L160 HydrophobicContact CD2-CD1 4.36Å; L57-L160 HydrophobicContact CG-CD1 4.37Å; L57-V164 HydrophobicContact CD2-CG2 3.71Å; L57-F178 HydrophobicContact CD1-CD1 3.89Å; L57-F178 HydrophobicContact CD1-CE1 3.79Å; L57-I181 HydrophobicContact CB-CG2 3.58Å; L57-I181 HydrophobicContact CD1-CG2 3.94Å; L57-I181 HydrophobicContact CG-CG2 4.43Å; L57-I182 HydrophobicContact CB-CG1 4.44Å; L57-I182 HydrophobicContact CD2-CD1 4.17Å
58K87.8Confident83Confident85 Ų8565.9 Ų65.937%0.3733%0.325SS..Hα-helixtrans-60.4-46.8179.8-75.4170.7178.8179.20112.7E54 E55 N60 T61 I181E54-K58 HydrophobicContact CG-CD 4.18Å; E54-K58 WeakPolarHBondContact O-CB 3.14Å; E54-K58 WeakPolarHBondContact O-CG 3.12Å; E54-K58 PolarHBondContact O-N 3.46Å; E54-K58 VanDerWaalsContact O-N 3.1Å; E54-K58 IonicContact OE1-NZ 2.8Å; E54-K58 PolarHBondContact OE1-NZ 3.5Å; E55-K58 PolarHBondContact O-N 2.89Å; K58-N60 VanDerWaalsContact C-N 3.28Å; K58-N60 PolarHBondContact O-N 2.79Å; K58-T61 PolarHBondContact O-N 3.16Å; K58-I181 HydrophobicContact CG-CG2 4.01Å; K58-I181 WeakPolarHBondContact CG-O 3.38Å
59E86.9Confident82.5Confident107 Ų10765.5 Ų65.550%0.533%0.325SS..Hα-helixtrans-65.9-27-179.6-70.5-171.3144.300113.5E55 L57 K117E55-E59 WeakPolarHBondContact O-CB 3.48Å; E55-E59 WeakPolarHBondContact O-CG 3.31Å; E55-E59 PolarHBondContact O-N 3.26Å; L57-E59 PolarHBondContact O-N 3.01Å; E59-K117 HydrophobicContact CB-CB 3.6Å; E59-K117 HydrophobicContact CB-CG 3.99Å; E59-K117 HydrophobicContact CG-CB 4.45Å; E59-K117 VanDerWaalsContact OE2-CB 3.31Å; E59-K117 WeakPolarHBondContact OE2-CB 3.1Å
60N87.8Confident82.3Confident22 Ų2261.6 Ų61.612%0.11832%0.318CS..Hα-helixtrans-99.51.4178.7-68.1-74.6000114M56 L57 K58 S72 I116 K117M56-N60 WeakPolarHBondContact O-CB 3.34Å; M56-N60 PolarHBondContact O-N 3.37Å; M56-N60 PolarHBondContact O-ND2 3.13Å; L57-N60 PolarHBondContact O-N 2.92Å; K58-N60 VanDerWaalsContact C-N 3.28Å; K58-N60 PolarHBondContact O-N 2.79Å; N60-S72 WeakPolarHBondContact O-CB 3.39Å; N60-I116 VanDerWaalsContact OD1-CA 3.31Å; N60-I116 WeakPolarHBondContact OD1-CA 3.48Å; N60-I116 WeakPolarHBondContact OD1-CB 3.25Å; N60-K117 PolarHBondContact ND2-N 3.45Å; N60-K117 PolarHBondContact ND2-O 3.36Å; N60-K117 PolarHBondContact OD1-N 2.81Å
61T83.3Confident82Confident1 Ų163.3 Ų63.31%0.00633%0.326CS..  trans-122.813.9-178.257.20000114.7L57 K58 G63 V69 L73 I182L57-T61 WeakPolarHBondContact O-CB 3.33Å; L57-T61 VanDerWaalsContact O-CG2 3.28Å; L57-T61 WeakPolarHBondContact O-CG2 3.45Å; L57-T61 PolarHBondContact O-N 2.87Å; L57-T61 VanDerWaalsContact O-N 3.08Å; L57-T61 PolarHBondContact O-OG1 3.31Å; K58-T61 PolarHBondContact O-N 3.16Å; T61-G63 PolarHBondContact O-N 3.44Å; T61-V69 HydrophobicContact CG2-CG1 4.25Å; T61-L73 HydrophobicContact CG2-CD2 3.43Å; T61-L73 VanDerWaalsContact CG2-CD2 3.43Å; T61-L73 HydrophobicContact CG2-CG 3.93Å; T61-I182 HydrophobicContact CG2-CG1 4.37Å; T61-I182 HydrophobicContact CG2-CG2 4.09Å
62A70.2Confident81.8Confident89 Ų8963.8 Ų63.874%0.73633%0.33SS*.  trans-72.334.1179.900000115.4
63G64.2Low81.8Confident27 Ų2762 Ų6228%0.27832%0.319SS..  trans-74.7168.717600000113.2T61T61-G63 PolarHBondContact O-N 3.44Å
64R59.1Low81.8Confident242 Ų24264 Ų6491%0.91333%0.333SS*.SBendtrans-96.8-10.4-179.4-67.4-172.8177.1-168.50.5114.3E68R64-E68 PolarHBondContact N-OE2 2.81Å
65N74.6Confident81.8Confident69 Ų6967.7 Ų67.737%0.36934%0.344SS..SBendtrans-150.216317859.668.2000111.5L67 E68 V69N65-L67 PolarHBondContact O-N 3.32Å; N65-L67 WeakPolarHBondContact OD1-CB 3.46Å; N65-L67 PolarHBondContact OD1-N 3.42Å; N65-E68 PolarHBondContact ND2-OE1 3.3Å; N65-E68 PolarHBondContact O-N 3.18Å; N65-E68 WeakPolarHBondContact OD1-CG 3.3Å; N65-E68 PolarHBondContact OD1-N 3.11Å; N65-V69 WeakPolarHBondContact O-CG2 3.43Å; N65-V69 PolarHBondContact O-N 3.07Å; N65-V69 VanDerWaalsContact O-N 3.15Å
66N74.8Confident82Confident94 Ų9463.2 Ų63.250%0.50332%0.323SS..Hα-helixtrans-63.4-24.1-174.9-64.314.7000113.7S70 G184N66-S70 WeakPolarHBondContact O-CB 3.5Å; N66-S70 PolarHBondContact O-N 2.96Å; N66-G184 PolarHBondContact ND2-O 3.07Å; N66-G184 VanDerWaalsContact ND2-O 3.08Å
67L76.6Confident82.1Confident120 Ų12064.2 Ų64.263%0.62833%0.329SS*.Hα-helixtrans-72.6-50178.3-171.967.5000110.6N65 V69 S70 E71N65-L67 PolarHBondContact O-N 3.32Å; N65-L67 WeakPolarHBondContact OD1-CB 3.46Å; N65-L67 PolarHBondContact OD1-N 3.42Å; L67-V69 VanDerWaalsContact C-N 3.26Å; L67-V69 PolarHBondContact O-N 3.5Å; L67-S70 PolarHBondContact O-N 3.27Å; L67-S70 VanDerWaalsContact O-N 3.15Å; L67-E71 PolarHBondContact O-N 2.91Å
68E78.8Confident82.1Confident77 Ų7770 Ų7036%0.3635%0.354SS..Hα-helixtrans-55.9-39.8172.4-73.1167.7-157.300112R64 N65 S72R64-E68 PolarHBondContact N-OE2 2.81Å; N65-E68 PolarHBondContact ND2-OE1 3.3Å; N65-E68 PolarHBondContact O-N 3.18Å; N65-E68 WeakPolarHBondContact OD1-CG 3.3Å; N65-E68 PolarHBondContact OD1-N 3.11Å; E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.33Å; E68-S72 PolarHBondContact O-N 3.26Å; E68-S72 PolarHBondContact O-OG 3.03Å
69V81.8Confident82.3Confident10 Ų1066 Ų666%0.06134%0.336CS..Hα-helixtrans-65.1-47.3176.3174.60000110.7T61 N65 L67 S72 L73 I182T61-V69 HydrophobicContact CG2-CG1 4.25Å; N65-V69 WeakPolarHBondContact O-CG2 3.43Å; N65-V69 PolarHBondContact O-N 3.07Å; N65-V69 VanDerWaalsContact O-N 3.15Å; L67-V69 VanDerWaalsContact C-N 3.26Å; L67-V69 PolarHBondContact O-N 3.5Å; V69-S72 PolarHBondContact O-N 3.4Å; V69-S72 VanDerWaalsContact O-N 3.16Å; V69-L73 HydrophobicContact CG1-CD1 4.19Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 3.44Å; V69-I182 HydrophobicContact CG1-CG2 3.73Å
70S83Confident82.6Confident54 Ų5460.9 Ų60.938%0.37831%0.313SS..Hα-helixtrans-61.1-45.3178-172.80000112.7N66 L67 S72 L73 S74N66-S70 WeakPolarHBondContact O-CB 3.5Å; N66-S70 PolarHBondContact O-N 2.96Å; L67-S70 PolarHBondContact O-N 3.27Å; L67-S70 VanDerWaalsContact O-N 3.15Å; S70-S72 VanDerWaalsContact C-N 3.28Å; S70-S72 PolarHBondContact O-N 2.93Å; S70-L73 PolarHBondContact O-N 3.32Å; S70-S74 WeakPolarHBondContact O-CB 3.47Å; S70-S74 PolarHBondContact O-N 3.07Å
71E84.6Confident82.8Confident114 Ų11461.8 Ų61.853%0.53332%0.321SS..Hα-helixtrans-62.6-34.4174.6-71.1-173.7169.100112.6L67 S74 R75L67-E71 PolarHBondContact O-N 2.91Å; E71-S74 PolarHBondContact O-N 3.03Å; E71-R75 WeakPolarHBondContact O-CG 3.3Å; E71-R75 PolarHBondContact O-N 3.1Å; E71-R75 PolarHBondContact O-NE 2.77Å
72S87.1Confident83.2Confident18 Ų1863.1 Ų63.113%0.12633%0.328CS..Hα-helixtrans-74.8-38.7178.8-53.80000112.4N60 E68 V69 S70 S74 R75 L76N60-S72 WeakPolarHBondContact O-CB 3.39Å; E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.33Å; E68-S72 PolarHBondContact O-N 3.26Å; E68-S72 PolarHBondContact O-OG 3.03Å; V69-S72 PolarHBondContact O-N 3.4Å; V69-S72 VanDerWaalsContact O-N 3.16Å; S70-S72 VanDerWaalsContact C-N 3.28Å; S70-S72 PolarHBondContact O-N 2.93Å; S72-S74 VanDerWaalsContact C-N 3.35Å; S72-R75 PolarHBondContact O-N 3.14Å; S72-R75 PolarHBondContact OG-NH2 2.67Å; S72-L76 PolarHBondContact O-N 2.93Å
73L88.6Confident84.3Confident9 Ų958.9 Ų58.95%0.04729%0.293CS..Hα-helixtrans-63.4-39.1168.7-69.2177.7000111.7L57 T61 V69 S70 R75 L76 V77 V164 L168 I182L57-L73 HydrophobicContact CD2-CD2 4.34Å; T61-L73 HydrophobicContact CG2-CD2 3.43Å; T61-L73 VanDerWaalsContact CG2-CD2 3.43Å; T61-L73 HydrophobicContact CG2-CG 3.93Å; V69-L73 HydrophobicContact CG1-CD1 4.19Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 3.44Å; S70-L73 PolarHBondContact O-N 3.32Å; L73-R75 VanDerWaalsContact C-N 3.32Å; L73-R75 PolarHBondContact O-N 3.2Å; L73-L76 HydrophobicContact CD2-CD2 4.41Å; L73-L76 WeakPolarHBondContact O-CB 3.46Å; L73-L76 PolarHBondContact O-N 2.95Å; L73-L76 VanDerWaalsContact O-N 3.15Å; L73-V77 PolarHBondContact O-N 3.09Å; L73-V164 HydrophobicContact CB-CG1 3.93Å; L73-V164 HydrophobicContact CD2-CG1 3.82Å; L73-V164 HydrophobicContact CG-CG1 4.33Å; L73-L168 HydrophobicContact CB-CD1 4.08Å; L73-L168 HydrophobicContact CB-CD2 3.84Å; L73-L168 HydrophobicContact CB-CG 4.01Å; L73-L168 HydrophobicContact CD1-CD2 4.42Å; L73-I182 HydrophobicContact CD1-CD1 4.46Å; L73-I182 HydrophobicContact CD1-CG2 4.25Å; L73-I182 HydrophobicContact CD2-CD1 4.23Å
74S89.1Confident85.7Confident43 Ų4358.7 Ų58.730%0.30129%0.285SS..Hα-helixtrans-62.1-38.5174.4-172.60000112.2S70 E71 S72 K78S70-S74 WeakPolarHBondContact O-CB 3.47Å; S70-S74 PolarHBondContact O-N 3.07Å; E71-S74 PolarHBondContact O-N 3.03Å; S72-S74 VanDerWaalsContact C-N 3.35Å; S74-K78 WeakPolarHBondContact O-CD 3.3Å; S74-K78 WeakPolarHBondContact O-CG 3.38Å; S74-K78 PolarHBondContact O-N 3.2Å
75R89.8Confident87.1Confident146 Ų14651.2 Ų51.255%0.55126%0.259SS*.Hα-helixtrans-66.2-40.5171.6-72.5179.8-70.1168.1-0.1112E71 S72 L73 K78 A79E71-R75 WeakPolarHBondContact O-CG 3.3Å; E71-R75 PolarHBondContact O-N 3.1Å; E71-R75 PolarHBondContact O-NE 2.77Å; S72-R75 PolarHBondContact O-N 3.14Å; S72-R75 PolarHBondContact OG-NH2 2.67Å; L73-R75 VanDerWaalsContact C-N 3.32Å; L73-R75 PolarHBondContact O-N 3.2Å; R75-K78 PolarHBondContact O-N 2.88Å; R75-A79 PolarHBondContact O-N 3.3Å
76L92Very high87.9Confident0 Ų049.7 Ų49.70%025%0.248CC..Hα-helixtrans-61.8-45.6176.6-176.659.6000112.3M56 L57 S72 L73 K78 A79 L80 I116M56-L76 HydrophobicContact CG-CD1 4.12Å; M56-L76 HydrophobicContact SD-CD1 4.11Å; L57-L76 HydrophobicContact CD2-CD2 3.8Å; S72-L76 PolarHBondContact O-N 2.93Å; L73-L76 HydrophobicContact CD2-CD2 4.41Å; L73-L76 WeakPolarHBondContact O-CB 3.46Å; L73-L76 PolarHBondContact O-N 2.95Å; L73-L76 VanDerWaalsContact O-N 3.15Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 2.91Å; L76-A79 PolarHBondContact O-N 2.83Å; L76-L80 HydrophobicContact CD1-CD1 4.08Å; L76-L80 HydrophobicContact CD1-CG 4.1Å; L76-L80 HydrophobicContact CG-CD1 3.88Å; L76-L80 HydrophobicContact CG-CG 4.36Å; L76-L80 WeakPolarHBondContact O-CB 3.48Å; L76-L80 VanDerWaalsContact O-CG 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 3.11Å; L76-I116 HydrophobicContact CD1-CB 4.48Å; L76-I116 HydrophobicContact CD1-CD1 3.83Å; L76-I116 HydrophobicContact CD1-CG2 4.31Å
77V93.3Very high88.7Confident22 Ų2245.2 Ų45.213%0.13322%0.224CC..Hα-helixtrans-59-42.1175.7169.70000111.8L73 S81 R161 V164 D165 L168L73-V77 PolarHBondContact O-N 3.09Å; V77-S81 WeakPolarHBondContact O-CB 3.49Å; V77-S81 PolarHBondContact O-N 3.43Å; V77-R161 HydrophobicContact CG1-CG 3.92Å; V77-V164 HydrophobicContact CG2-CB 3.86Å; V77-V164 HydrophobicContact CG2-CG1 3.55Å; V77-D165 HydrophobicContact CG1-CB 4.44Å; V77-D165 HydrophobicContact CG2-CB 4.38Å; V77-L168 HydrophobicContact CG2-CD1 3.96Å
78K90.9Very high89.3Confident121 Ų12140.1 Ų40.153%0.52620%0.198SC..Hα-helixtrans-64.2-44.8177.2-69.9165.3-174.7169.50111.9S74 R75 L76 S81 I82S74-K78 WeakPolarHBondContact O-CD 3.3Å; S74-K78 WeakPolarHBondContact O-CG 3.38Å; S74-K78 PolarHBondContact O-N 3.2Å; R75-K78 PolarHBondContact O-N 2.88Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 2.91Å; K78-S81 PolarHBondContact O-N 3.37Å; K78-I82 PolarHBondContact O-N 3.36Å
79A91Very high89.9Confident0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-66.5-42.1177.500000112.6R75 L76 S81 I82 L83 I116R75-A79 PolarHBondContact O-N 3.3Å; L76-A79 PolarHBondContact O-N 2.83Å; A79-S81 VanDerWaalsContact C-N 3.31Å; A79-S81 PolarHBondContact O-N 3.39Å; A79-I82 PolarHBondContact O-N 2.7Å; A79-I82 VanDerWaalsContact O-N 3.14Å; A79-L83 PolarHBondContact O-N 3.31Å; A79-I116 HydrophobicContact CB-CB 4.43Å; A79-I116 HydrophobicContact CB-CD1 3.57Å; A79-I116 HydrophobicContact CB-CG1 3.78Å; A79-I116 HydrophobicContact CB-CG2 3.79Å
80L93.8Very high90.4Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-63.1-36174.9-69.5169.6000111.9M56 L76 I82 L83 E84 V157 L160 R161M56-L80 HydrophobicContact SD-CD2 4.08Å; L76-L80 HydrophobicContact CD1-CD1 4.08Å; L76-L80 HydrophobicContact CD1-CG 4.1Å; L76-L80 HydrophobicContact CG-CD1 3.88Å; L76-L80 HydrophobicContact CG-CG 4.36Å; L76-L80 WeakPolarHBondContact O-CB 3.48Å; L76-L80 VanDerWaalsContact O-CG 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 3.11Å; L80-I82 VanDerWaalsContact C-N 3.26Å; L80-I82 PolarHBondContact O-N 2.87Å; L80-L83 HydrophobicContact CD2-CD1 4.4Å; L80-L83 PolarHBondContact O-N 2.58Å; L80-E84 WeakPolarHBondContact O-CB 3.49Å; L80-E84 PolarHBondContact O-N 2.92Å; L80-V157 HydrophobicContact CB-CG1 4.31Å; L80-V157 HydrophobicContact CD2-CG1 4.05Å; L80-V157 WeakPolarHBondContact O-CG1 3.48Å; L80-L160 HydrophobicContact CD1-CB 4.32Å; L80-L160 HydrophobicContact CD1-CD2 4.01Å; L80-L160 HydrophobicContact CD1-CG 3.94Å; L80-L160 HydrophobicContact CD2-CD2 4.43Å; L80-R161 HydrophobicContact CB-CB 3.86Å; L80-R161 HydrophobicContact CB-CG 4.08Å; L80-R161 HydrophobicContact CD1-CB 4.3Å
81S92.9Very high90.7Very high42 Ų4237 Ų3729%0.29418%0.18SC..Hα-helixtrans-63.9-28.6174-173.20000113.5V77 K78 A79 K85V77-S81 WeakPolarHBondContact O-CB 3.49Å; V77-S81 PolarHBondContact O-N 3.43Å; K78-S81 PolarHBondContact O-N 3.37Å; A79-S81 VanDerWaalsContact C-N 3.31Å; A79-S81 PolarHBondContact O-N 3.39Å; S81-K85 WeakPolarHBondContact O-CG 3.34Å; S81-K85 PolarHBondContact O-N 3.35Å
82I90.8Very high90.8Very high29 Ų2932.5 Ų32.515%0.14916%0.161CC..Hα-helixtrans-80.8-37175.7-68160.5000110.7K78 A79 L80 K85 Y86 V108 T112 V113K78-I82 PolarHBondContact O-N 3.36Å; A79-I82 PolarHBondContact O-N 2.7Å; A79-I82 VanDerWaalsContact O-N 3.14Å; L80-I82 VanDerWaalsContact C-N 3.26Å; L80-I82 PolarHBondContact O-N 2.87Å; I82-K85 PolarHBondContact O-N 2.83Å; I82-Y86 HydrophobicContact CG2-CD2 4.35Å; I82-Y86 HydrophobicContact CG2-CE2 3.85Å; I82-Y86 PolarHBondContact O-N 3.26Å; I82-V108 HydrophobicContact CD1-CG1 3.77Å; I82-V108 HydrophobicContact CG2-CG1 4.47Å; I82-T112 HydrophobicContact CD1-CG2 3.97Å; I82-T112 WeakPolarHBondContact CD1-OG1 3.12Å; I82-V113 HydrophobicContact CB-CG2 4.04Å; I82-V113 HydrophobicContact CG2-CG2 3.7Å
83L92.5Very high90.3Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-65.6-37171.9-71.8167000112.4A79 L80 Y86 G87 V113 I116 V122 L123 Y126 V157A79-L83 PolarHBondContact O-N 3.31Å; L80-L83 HydrophobicContact CD2-CD1 4.4Å; L80-L83 PolarHBondContact O-N 2.58Å; L83-Y86 HydrophobicContact CD2-CD2 4.41Å; L83-Y86 PolarHBondContact O-N 3.32Å; L83-G87 PolarHBondContact O-N 3.14Å; L83-V113 HydrophobicContact CD1-CG1 4.25Å; L83-V113 HydrophobicContact CD2-CG1 3.73Å; L83-V113 HydrophobicContact CG-CG1 4.02Å; L83-V113 HydrophobicContact CG-CG2 4.26Å; L83-I116 HydrophobicContact CD1-CD1 4.46Å; L83-V122 HydrophobicContact CB-CG1 4.36Å; L83-V122 HydrophobicContact CD1-CB 4Å; L83-V122 HydrophobicContact CD1-CG1 4.2Å; L83-V122 HydrophobicContact CD1-CG2 3.97Å; L83-V122 HydrophobicContact CD2-CB 3.94Å; L83-V122 HydrophobicContact CD2-CG1 3.97Å; L83-V122 HydrophobicContact CG-CG1 4.41Å; L83-L123 HydrophobicContact CD2-CD2 3.91Å; L83-L123 HydrophobicContact CD2-CG 4.28Å; L83-Y126 VanDerWaalsContact O-CE2 3.28Å; L83-Y126 WeakPolarHBondContact O-CE2 3.45Å; L83-Y126 PolarHBondContact O-OH 3.2Å; L83-V157 HydrophobicContact CB-CG1 3.93Å
84E93.8Very high89.8Confident23 Ų2341.8 Ų41.811%0.10722%0.219CC..Hα-helixtrans-55.9-51.6170169.7177.2148.800110.6L80 Y86 G87 C88 V157 M158 R161L80-E84 WeakPolarHBondContact O-CB 3.49Å; L80-E84 PolarHBondContact O-N 2.92Å; E84-Y86 VanDerWaalsContact C-N 3.33Å; E84-Y86 PolarHBondContact O-N 3.02Å; E84-G87 PolarHBondContact O-N 3.5Å; E84-G87 VanDerWaalsContact O-N 3.11Å; E84-C88 PolarHBondContact O-N 3.43Å; E84-C88 PolarHBondContact O-SG 2.94Å; E84-V157 HydrophobicContact CB-CG1 4.24Å; E84-M158 HydrophobicContact CB-CG 4.29Å; E84-M158 HydrophobicContact CG-CE 4.49Å; E84-M158 HydrophobicContact CG-CG 3.62Å; E84-M158 HydrophobicContact CG-SD 4.31Å; E84-R161 IonicContact OE1-NH2 3.42Å; E84-R161 IonicContact OE2-CZ 3.54Å; E84-R161 IonicContact OE2-NE 3.48Å; E84-R161 PolarHBondContact OE2-NE 3.07Å; E84-R161 IonicContact OE2-NH2 2.7Å; E84-R161 PolarHBondContact OE2-NH2 3.18Å; E84-R161 VanDerWaalsContact OE2-NH2 3.15Å
85K89.9Confident89.4Confident85 Ų8542.7 Ų42.737%0.3722%0.216SC..Hα-helixtrans-59.1-38.9176-72.7-179.6176.9-168.50113.2S81 I82 N89 S807S81-K85 WeakPolarHBondContact O-CG 3.34Å; S81-K85 PolarHBondContact O-N 3.35Å; I82-K85 PolarHBondContact O-N 2.83Å; K85-N89 VanDerWaalsContact O-CB 3.29Å; K85-N89 WeakPolarHBondContact O-CB 3.49Å; K85-N89 PolarHBondContact O-N 2.9Å; K85-N89 PolarHBondContact O-ND2 3.41Å; K85-S807 PolarHBondContact NZ-OG 2.7Å; K85-S807 VanDerWaalsContact NZ-OG 3.11Å
86Y90.8Very high88.7Confident37 Ų3738.5 Ų38.515%0.14521%0.208CC..Hα-helixtrans-66.9-35.2175.9-69.5-32.9000113I82 L83 E84 L90 V102 L123I82-Y86 HydrophobicContact CG2-CD2 4.35Å; I82-Y86 HydrophobicContact CG2-CE2 3.85Å; I82-Y86 PolarHBondContact O-N 3.26Å; L83-Y86 HydrophobicContact CD2-CD2 4.41Å; L83-Y86 PolarHBondContact O-N 3.32Å; E84-Y86 VanDerWaalsContact C-N 3.33Å; E84-Y86 PolarHBondContact O-N 3.02Å; Y86-L90 WeakPolarHBondContact O-CG 3.34Å; Y86-L90 PolarHBondContact O-N 3.27Å; Y86-V102 HydrophobicContact CE2-CG1 4.43Å; Y86-L123 HydrophobicContact CD2-CD2 3.92Å
87G91.1Very high87.6Confident0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-66-54173.800000112.5L83 E84 N89 L90 T91 T154L83-G87 PolarHBondContact O-N 3.14Å; E84-G87 PolarHBondContact O-N 3.5Å; E84-G87 VanDerWaalsContact O-N 3.11Å; G87-N89 VanDerWaalsContact C-N 3.3Å; G87-N89 PolarHBondContact O-N 3Å; G87-L90 WeakPolarHBondContact O-CB 3.37Å; G87-L90 PolarHBondContact O-N 3.48Å; G87-T91 PolarHBondContact O-N 3.09Å; G87-T154 WeakPolarHBondContact CA-OG1 3.48Å
88C90.3Very high86.8Confident13 Ų1354.8 Ų54.89%0.08827%0.268CS..Hα-helixtrans-54.4-41.7175.6-70.50000113.1G25 E84 L90 T91 S92G25-C88 WeakPolarHBondContact O-CB 3.15Å; E84-C88 PolarHBondContact O-N 3.43Å; E84-C88 PolarHBondContact O-SG 2.94Å; C88-L90 PolarHBondContact O-N 3.31Å; C88-T91 PolarHBondContact O-N 2.91Å; C88-S92 VanDerWaalsContact O-CB 3.28Å; C88-S92 WeakPolarHBondContact O-CB 3.39Å; C88-S92 PolarHBondContact O-N 2.78Å
89N91.4Very high86.5Confident71 Ų7151 Ų5138%0.3825%0.25SS..Hα-helixtrans-65.9-20.1177.9-77.3-16.9000114.3K85 G87 P96K85-N89 VanDerWaalsContact O-CB 3.29Å; K85-N89 WeakPolarHBondContact O-CB 3.49Å; K85-N89 PolarHBondContact O-N 2.9Å; K85-N89 PolarHBondContact O-ND2 3.41Å; G87-N89 VanDerWaalsContact C-N 3.3Å; G87-N89 PolarHBondContact O-N 3Å; N89-P96 HydrophobicContact CB-CG 4.18Å; N89-P96 WeakPolarHBondContact O-CD 3.46Å
90L90.8Very high86.3Confident0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-90.9-33.7178-74.7171.4000112.3Y86 G87 C88 R95 W99 Y126 Y128 F138 P145 V150Y86-L90 WeakPolarHBondContact O-CG 3.34Å; Y86-L90 PolarHBondContact O-N 3.27Å; G87-L90 WeakPolarHBondContact O-CB 3.37Å; G87-L90 PolarHBondContact O-N 3.48Å; C88-L90 PolarHBondContact O-N 3.31Å; L90-R95 WeakPolarHBondContact O-CD 3.35Å; L90-R95 PolarHBondContact O-NE 3.15Å; L90-W99 HydrophobicContact CD2-CB 4.19Å; L90-W99 HydrophobicContact CD2-CD2 4.22Å; L90-W99 HydrophobicContact CD2-CE3 3.52Å; L90-W99 HydrophobicContact CD2-CZ3 4.27Å; L90-Y126 HydrophobicContact CD1-CG 4.46Å; L90-Y128 HydrophobicContact CD1-CE2 3.78Å; L90-F138 HydrophobicContact CD1-CE2 4.29Å; L90-F138 HydrophobicContact CD1-CZ 4.08Å; L90-F138 HydrophobicContact CD2-CE2 3.83Å; L90-F138 HydrophobicContact CD2-CZ 3.98Å; L90-P145 HydrophobicContact CB-CB 4.47Å; L90-P145 HydrophobicContact CB-CG 4.31Å; L90-P145 HydrophobicContact CD2-CB 4.18Å; L90-P145 HydrophobicContact CD2-CG 4.16Å; L90-P145 WeakPolarHBondContact O-CG 3.24Å; L90-V150 HydrophobicContact CB-CG1 3.92Å; L90-V150 HydrophobicContact CD1-CG1 4.25Å; L90-V150 HydrophobicContact CD1-CG2 4.33Å
91T90.1Very high85.9Confident5 Ų555.6 Ų55.63%0.03127%0.272CS..Hα-helixtrans-85.4-2017561.80000113.7L21 G25 G87 C88 C147 V150 A151L21-T91 VanDerWaalsContact O-CB 3.23Å; L21-T91 WeakPolarHBondContact O-CB 3.43Å; L21-T91 PolarHBondContact O-OG1 3.22Å; G25-T91 VanDerWaalsContact CA-OG1 3.26Å; G25-T91 WeakPolarHBondContact CA-OG1 3.31Å; G87-T91 PolarHBondContact O-N 3.09Å; C88-T91 PolarHBondContact O-N 2.91Å; T91-C147 HydrophobicContact CG2-CB 4.27Å; T91-C147 WeakPolarHBondContact CG2-O 3.35Å; T91-V150 HydrophobicContact CG2-CB 3.99Å; T91-V150 HydrophobicContact CG2-CG1 3.76Å; T91-A151 HydrophobicContact CG2-CB 4.22Å
92S86Confident85.5Confident18 Ų1854 Ų5413%0.12626%0.26CS..SBendtrans-56.6137.4175.2178.60000112.4C88 T94 R95C88-S92 VanDerWaalsContact O-CB 3.28Å; C88-S92 WeakPolarHBondContact O-CB 3.39Å; C88-S92 PolarHBondContact O-N 2.78Å; S92-T94 PolarHBondContact O-N 2.93Å; S92-T94 PolarHBondContact OG-N 3.43Å; S92-T94 PolarHBondContact OG-OG1 2.87Å; S92-R95 WeakPolarHBondContact O-CG 3.41Å
93P76.8Confident84.9Confident102 Ų10255.6 Ų55.666%0.66227%0.266SS*.THydrogen-bonded Turntrans-66.2-19.2174.826.9-34.8000113.4S24S24-P93 WeakPolarHBondContact O-CD 3.4Å
94T78.4Confident84.1Confident121 Ų12156.9 Ų56.974%0.74227%0.272SS*.THydrogen-bonded Turntrans-109.555.2178.450.90000111.6S92S92-T94 PolarHBondContact O-N 2.93Å; S92-T94 PolarHBondContact OG-N 3.43Å; S92-T94 PolarHBondContact OG-OG1 2.87Å
95R80.4Confident82.6Confident61 Ų6156.9 Ų56.923%0.2327%0.273CS..  trans-52.3135-176.7-56-171.2-170.2104.2-7.8112.9L90 S92 W99 E144 C147L90-R95 WeakPolarHBondContact O-CD 3.35Å; L90-R95 PolarHBondContact O-NE 3.15Å; S92-R95 WeakPolarHBondContact O-CG 3.41Å; R95-W99 HydrophobicContact CB-CG 4.35Å; R95-E144 IonicContact CZ-OE1 3.92Å; R95-E144 IonicContact NH1-OE1 2.66Å; R95-E144 PolarHBondContact NH1-OE1 2.87Å; R95-E144 IonicContact NH2-OE1 2.98Å; R95-C147 PolarHBondContact NH2-SG 2.98Å
96P75Confident81.7Confident59 Ų5953.5 Ų53.538%0.38326%0.258SS..  trans-59.2142.1177-2534.4000113.3N89 Y98 W99N89-P96 HydrophobicContact CB-CG 4.18Å; N89-P96 WeakPolarHBondContact O-CD 3.46Å; P96-Y98 PolarHBondContact O-N 3.31Å; P96-W99 WeakPolarHBondContact O-CB 3.18Å; P96-W99 VanDerWaalsContact O-CD1 3.25Å; P96-W99 PolarHBondContact O-N 3.22Å
97R70.2Confident80.5Confident228 Ų22852.4 Ų52.486%0.8626%0.256SS*.THydrogen-bonded Turntrans-51.7-26.3-173.2-67.5-171.9-178.2-174.13.1115.7
98Y76.1Confident79.5Confident135 Ų13552.5 Ų52.553%0.52926%0.257SS..THydrogen-bonded Turntrans-10921.3-177.5-56-65.7000114.1P96 R100 S101P96-Y98 PolarHBondContact O-N 3.31Å; Y98-R100 PolarHBondContact O-N 3.31Å; Y98-S101 PolarHBondContact O-N 3.1Å
99W84.9Confident79Confident42 Ų4251.9 Ų51.916%0.15925%0.252CS..THydrogen-bonded Turntrans-54.7-23-178.370.7-100.2000114.8L90 R95 P96 S101 Y128 F138 T143 P145L90-W99 HydrophobicContact CD2-CB 4.19Å; L90-W99 HydrophobicContact CD2-CD2 4.22Å; L90-W99 HydrophobicContact CD2-CE3 3.52Å; L90-W99 HydrophobicContact CD2-CZ3 4.27Å; R95-W99 HydrophobicContact CB-CG 4.35Å; P96-W99 WeakPolarHBondContact O-CB 3.18Å; P96-W99 VanDerWaalsContact O-CD1 3.25Å; P96-W99 PolarHBondContact O-N 3.22Å; W99-S101 VanDerWaalsContact C-N 3.25Å; W99-S101 PolarHBondContact O-N 3.05Å; W99-Y128 VanDerWaalsContact O-CE1 3.28Å; W99-Y128 WeakPolarHBondContact O-CE1 3.36Å; W99-Y128 PolarHBondContact O-OH 3.27Å; W99-Y128 VanDerWaalsContact O-OH 3.09Å; W99-F138 AromaticContact CE3-CD2 3.88Å; W99-F138 HydrophobicContact CE3-CD2 3.88Å; W99-F138 AromaticContact CE3-CE2 3.8Å; W99-F138 HydrophobicContact CE3-CE2 3.8Å; W99-F138 HydrophobicContact CE3-CZ 4.41Å; W99-F138 HydrophobicContact CZ3-CD1 4.13Å; W99-F138 AromaticContact CZ3-CD2 3.56Å; W99-F138 HydrophobicContact CZ3-CD2 3.56Å; W99-F138 HydrophobicContact CZ3-CE1 4.23Å; W99-F138 AromaticContact CZ3-CE2 3.67Å; W99-F138 HydrophobicContact CZ3-CE2 3.67Å; W99-F138 AromaticContact CZ3-CG 3.8Å; W99-F138 HydrophobicContact CZ3-CG 3.8Å; W99-F138 HydrophobicContact CZ3-CZ 4.01Å; W99-T143 WeakPolarHBondContact CH2-O 3.36Å; W99-T143 VanDerWaalsContact CZ2-O 3.31Å; W99-T143 WeakPolarHBondContact CZ2-O 3.46Å; W99-P145 HydrophobicContact CZ3-CB 4.32Å; W99-P145 HydrophobicContact CZ3-CG 4.31Å
100R86.6Confident78.3Confident72 Ų7256.4 Ų56.427%0.27226%0.264SS..THydrogen-bonded Turntrans-68.7-14.3-175.2-62.6-171.266.774.70.6115.1Y98 S137 F138 P139 V142 T143Y98-R100 PolarHBondContact O-N 3.31Å; R100-S137 CarbonylContact O-C 3.6Å; R100-S137 WeakPolarHBondContact O-CA 3.36Å; R100-S137 VanDerWaalsContact O-CB 3.24Å; R100-S137 WeakPolarHBondContact O-CB 3.26Å; R100-F138 PolarHBondContact O-N 3.35Å; R100-P139 PolarHBondContact NH2-O 3.48Å; R100-V142 VanDerWaalsContact CZ-O 3.26Å; R100-V142 PolarHBondContact NH1-O 3.37Å; R100-V142 PolarHBondContact NH2-O 3.08Å; R100-T143 PolarHBondContact NH1-O 3.42Å
101S84.8Confident77.7Confident25 Ų2559.1 Ų59.118%0.17528%0.281CS..EExtended strand (participates in β ladder)trans-149.5127.2-171.457.50000114.3Y98 W99 Q765Y98-S101 PolarHBondContact O-N 3.1Å; W99-S101 VanDerWaalsContact C-N 3.25Å; W99-S101 PolarHBondContact O-N 3.05Å; S101-Q765 PolarHBondContact O-NE2 2.68Å
102V83.8Confident77.4Confident9 Ų959.8 Ų59.86%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-101.1121.5169.7179.10000109.1Y86 F109 L123 Y128 G135 L136Y86-V102 HydrophobicContact CE2-CG1 4.43Å; V102-F109 HydrophobicContact CG1-CD2 3.81Å; V102-F109 HydrophobicContact CG1-CE2 4.21Å; V102-F109 HydrophobicContact CG1-CG 4.32Å; V102-L123 HydrophobicContact CB-CD1 4.05Å; V102-L123 HydrophobicContact CG1-CD1 3.86Å; V102-L123 HydrophobicContact CG2-CD1 4.19Å; V102-L123 HydrophobicContact CG2-CD2 4.4Å; V102-Y128 HydrophobicContact CG2-CD1 4.22Å; V102-Y128 HydrophobicContact CG2-CE1 3.72Å; V102-Y128 HydrophobicContact CG2-CE2 4.19Å; V102-G135 WeakPolarHBondContact O-CA 3.38Å; V102-L136 PolarHBondContact N-O 3.18Å; V102-L136 PolarHBondContact O-N 2.82Å; V102-L136 VanDerWaalsContact O-N 3.07Å
103K78.5Confident77.4Confident62 Ų6259 Ų5927%0.2728%0.279SS..EExtended strand (participates in β ladder)trans-90.5135.8-179.3-77.7174.1178.1150.30113N106 D134 Q765K103-N106 VanDerWaalsContact O-CB 3.26Å; K103-N106 WeakPolarHBondContact O-CB 3.32Å; K103-N106 PolarHBondContact O-N 3.43Å; K103-D134 CarbonylContact C-O 3.57Å; K103-D134 WeakPolarHBondContact CA-O 3.48Å; K103-Q765 HydrophobicContact CD-CB 4.21Å
104H76.4Confident77.7Confident26 Ų2656.5 Ų56.512%0.1226%0.26CS..THydrogen-bonded Turntrans-73.5-27.1179.1-64.8154.3000113N106 F109 D134 G135H104-N106 PolarHBondContact O-N 3.06Å; H104-F109 HydrophobicContact CB-CE1 4.49Å; H104-F109 AromaticContact CD2-CE1 3.36Å; H104-F109 WeakPolarHBondContact CD2-CE1 3.39Å; H104-F109 AromaticContact CD2-CZ 3.84Å; H104-D134 PolarHBondContact N-O 2.81Å; H104-G135 VanDerWaalsContact CE1-CA 3.46Å; H104-G135 WeakPolarHBondContact CE1-CA 3.41Å; H104-G135 PolarHBondContact ND1-N 3.07Å
105N63.1Low78Confident24 Ų2453.5 Ų53.513%0.12825%0.248CC..THydrogen-bonded Turntrans-73.7-6.4175.981.9-21.4000114.5P107 D134 R755 S760N105-P107 WeakPolarHBondContact O-CD 3.49Å; N105-D134 VanDerWaalsContact CB-OD1 3.27Å; N105-D134 WeakPolarHBondContact CB-OD1 3.47Å; N105-D134 PolarHBondContact N-OD1 3.36Å; N105-D134 PolarHBondContact N-OD2 3.03Å; N105-D134 VanDerWaalsContact N-OD2 3.12Å; N105-D134 PolarHBondContact OD1-OD1 3.32Å; N105-D134 VanDerWaalsContact OD1-OD1 3.12Å; N105-R755 PolarHBondContact ND2-NH2 3.01Å; N105-S760 VanDerWaalsContact ND2-CB 3.34Å; N105-S760 WeakPolarHBondContact ND2-CB 3.34Å; N105-S760 PolarHBondContact ND2-OG 2.94Å; N105-S760 WeakPolarHBondContact OD1-CB 3.46Å; N105-S760 PolarHBondContact OD1-OG 3.37Å
106N70.9Confident78.3Confident13 Ų1351.1 Ų51.17%0.0724%0.24CC..  trans-67.4115.9175179.9-5.7000109K103 H104 V108 F109 R110 T762K103-N106 VanDerWaalsContact O-CB 3.26Å; K103-N106 WeakPolarHBondContact O-CB 3.32Å; K103-N106 PolarHBondContact O-N 3.43Å; H104-N106 PolarHBondContact O-N 3.06Å; N106-V108 VanDerWaalsContact C-N 3.25Å; N106-V108 PolarHBondContact O-N 3.19Å; N106-V108 PolarHBondContact OD1-N 2.96Å; N106-F109 HydrophobicContact CB-CB 4.1Å; N106-F109 WeakPolarHBondContact O-CA 3.21Å; N106-F109 WeakPolarHBondContact O-CB 3.15Å; N106-F109 PolarHBondContact O-N 2.92Å; N106-R110 PolarHBondContact O-N 3.35Å; N106-T762 WeakPolarHBondContact OD1-CB 3.36Å; N106-T762 PolarHBondContact OD1-OG1 3.27Å
107P65.4Low78.9Confident14 Ų1454.2 Ų54.29%0.09125%0.247CC..Hα-helixtrans-62.4-34.5-172.9-24.736.3000112.4N105 F109 R110 T111 Q759 Q815N105-P107 WeakPolarHBondContact O-CD 3.49Å; P107-F109 VanDerWaalsContact C-N 3.31Å; P107-F109 PolarHBondContact O-N 3.12Å; P107-R110 PolarHBondContact O-N 3.34Å; P107-R110 VanDerWaalsContact O-N 3.15Å; P107-T111 WeakPolarHBondContact O-CB 3.4Å; P107-T111 WeakPolarHBondContact O-CG2 3.34Å; P107-T111 PolarHBondContact O-N 3.34Å; P107-T111 PolarHBondContact O-OG1 3.3Å; P107-Q759 VanDerWaalsContact CG-CD 3.48Å; P107-Q759 VanDerWaalsContact CG-OE1 3.29Å; P107-Q815 HydrophobicContact CB-CG 4.26Å; P107-Q815 VanDerWaalsContact CD-NE2 3.26Å; P107-Q815 HydrophobicContact CG-CB 4.45Å; P107-Q815 HydrophobicContact CG-CG 3.99Å
108V69.2Low79.7Confident3 Ų344.1 Ų44.12%0.01821%0.214CC..Hα-helixtrans-58.5-45.7175.2179.60000110.6I82 N106 T112 T762 T811 I814I82-V108 HydrophobicContact CD1-CG1 3.77Å; I82-V108 HydrophobicContact CG2-CG1 4.47Å; N106-V108 VanDerWaalsContact C-N 3.25Å; N106-V108 PolarHBondContact O-N 3.19Å; N106-V108 PolarHBondContact OD1-N 2.96Å; V108-T112 WeakPolarHBondContact O-CB 3.48Å; V108-T112 PolarHBondContact O-N 3.29Å; V108-T112 PolarHBondContact O-OG1 2.92Å; V108-T762 HydrophobicContact CB-CG2 4.37Å; V108-T762 HydrophobicContact CG2-CG2 4.12Å; V108-T762 WeakPolarHBondContact CG2-OG1 3.21Å; V108-T811 HydrophobicContact CG1-CG2 4.37Å; V108-T811 HydrophobicContact CG2-CG2 4.14Å; V108-T811 VanDerWaalsContact CG2-O 3.31Å; V108-T811 WeakPolarHBondContact CG2-O 3.41Å; V108-I814 HydrophobicContact CG1-CD1 4.23Å; V108-I814 HydrophobicContact CG2-CB 4.14Å; V108-I814 HydrophobicContact CG2-CD1 4.17Å; V108-I814 HydrophobicContact CG2-CG2 4.35Å
109F80.6Confident80.3Confident0 Ų037.7 Ų37.70%019%0.189CC..Iπ-helixtrans-62.9-51.1173.2178.5-93000110.4V102 H104 N106 P107 T111 T112 V113 D114 R120 L123V102-F109 HydrophobicContact CG1-CD2 3.81Å; V102-F109 HydrophobicContact CG1-CE2 4.21Å; V102-F109 HydrophobicContact CG1-CG 4.32Å; H104-F109 HydrophobicContact CB-CE1 4.49Å; H104-F109 AromaticContact CD2-CE1 3.36Å; H104-F109 WeakPolarHBondContact CD2-CE1 3.39Å; H104-F109 AromaticContact CD2-CZ 3.84Å; N106-F109 HydrophobicContact CB-CB 4.1Å; N106-F109 WeakPolarHBondContact O-CA 3.21Å; N106-F109 WeakPolarHBondContact O-CB 3.15Å; N106-F109 PolarHBondContact O-N 2.92Å; P107-F109 VanDerWaalsContact C-N 3.31Å; P107-F109 PolarHBondContact O-N 3.12Å; F109-T111 PolarHBondContact O-N 2.95Å; F109-T112 PolarHBondContact O-N 3.02Å; F109-V113 HydrophobicContact CD2-CB 3.7Å; F109-V113 HydrophobicContact CD2-CG1 3.87Å; F109-V113 HydrophobicContact CD2-CG2 4.41Å; F109-V113 HydrophobicContact CE2-CB 3.81Å; F109-V113 HydrophobicContact CE2-CG1 3.5Å; F109-V113 HydrophobicContact CG-CB 4.48Å; F109-V113 HydrophobicContact CZ-CG1 4.39Å; F109-V113 PolarHBondContact O-N 3.03Å; F109-D114 HydrophobicContact CD1-CB 3.93Å; F109-D114 HydrophobicContact CE1-CB 3.53Å; F109-D114 HydrophobicContact CZ-CB 4.07Å; F109-D114 WeakPolarHBondContact O-CB 3.17Å; F109-D114 PolarHBondContact O-N 3.45Å; F109-R120 HydrophobicContact CZ-CG 4.05Å; F109-L123 HydrophobicContact CD2-CD1 4.35Å; F109-L123 HydrophobicContact CE2-CD1 3.57Å; F109-L123 HydrophobicContact CZ-CD1 4.3Å
110R77.1Confident80.5Confident165 Ų16540 Ų4062%0.62320%0.198SC*.Iπ-helixtrans-63.9-36.9-173.9-155.9-173.277.4170.42.1114.5N106 P107N106-R110 PolarHBondContact O-N 3.35Å; P107-R110 PolarHBondContact O-N 3.34Å; P107-R110 VanDerWaalsContact O-N 3.15Å
111T76.8Confident80.7Confident58 Ų5841.2 Ų41.236%0.35620%0.202SC..Iπ-helixtrans-91.3-11.8-176.763.20000113.7P107 F109 A115 I814P107-T111 WeakPolarHBondContact O-CB 3.4Å; P107-T111 WeakPolarHBondContact O-CG2 3.34Å; P107-T111 PolarHBondContact O-N 3.34Å; P107-T111 PolarHBondContact O-OG1 3.3Å; F109-T111 PolarHBondContact O-N 2.95Å; T111-A115 WeakPolarHBondContact O-CB 3.46Å; T111-I814 WeakPolarHBondContact OG1-CG2 3.46Å
112T83.8Confident81.1Confident19 Ų1940 Ų4012%0.11719%0.194CC..Iπ-helixtrans-122.5-70.9179.870.70000112.4I82 V108 F109 A115 I116 I814I82-T112 HydrophobicContact CD1-CG2 3.97Å; I82-T112 WeakPolarHBondContact CD1-OG1 3.12Å; V108-T112 WeakPolarHBondContact O-CB 3.48Å; V108-T112 PolarHBondContact O-N 3.29Å; V108-T112 PolarHBondContact O-OG1 2.92Å; F109-T112 PolarHBondContact O-N 3.02Å; T112-A115 PolarHBondContact O-N 3.35Å; T112-I116 PolarHBondContact O-N 2.9Å; T112-I814 HydrophobicContact CG2-CD1 4.47Å
113V85.8Confident81.5Confident0 Ų039.7 Ų39.70%019%0.192CC..Iπ-helixtrans-70.2-35.2-173.5-176.80000112.5I82 L83 F109 I116 G119I82-V113 HydrophobicContact CB-CG2 4.04Å; I82-V113 HydrophobicContact CG2-CG2 3.7Å; L83-V113 HydrophobicContact CD1-CG1 4.25Å; L83-V113 HydrophobicContact CD2-CG1 3.73Å; L83-V113 HydrophobicContact CG-CG1 4.02Å; L83-V113 HydrophobicContact CG-CG2 4.26Å; F109-V113 HydrophobicContact CD2-CB 3.7Å; F109-V113 HydrophobicContact CD2-CG1 3.87Å; F109-V113 HydrophobicContact CD2-CG2 4.41Å; F109-V113 HydrophobicContact CE2-CB 3.81Å; F109-V113 HydrophobicContact CE2-CG1 3.5Å; F109-V113 HydrophobicContact CG-CB 4.48Å; F109-V113 HydrophobicContact CZ-CG1 4.39Å; F109-V113 PolarHBondContact O-N 3.03Å; V113-I116 VanDerWaalsContact O-CG1 3.3Å; V113-I116 WeakPolarHBondContact O-CG1 3.22Å; V113-G119 WeakPolarHBondContact O-CA 3.5Å
114D84.8Confident82.1Confident50 Ų5040.8 Ų40.827%0.26720%0.197SC..THydrogen-bonded Turntrans-85.1-21.3176-147.727.8000113F109 R120F109-D114 HydrophobicContact CD1-CB 3.93Å; F109-D114 HydrophobicContact CE1-CB 3.53Å; F109-D114 HydrophobicContact CZ-CB 4.07Å; F109-D114 WeakPolarHBondContact O-CB 3.17Å; F109-D114 PolarHBondContact O-N 3.45Å; D114-R120 VanDerWaalsContact CG-NH2 3.26Å; D114-R120 IonicContact OD1-CZ 3.67Å; D114-R120 IonicContact OD1-NE 3.98Å; D114-R120 PolarHBondContact OD1-NE 3.01Å; D114-R120 IonicContact OD1-NH2 2.72Å; D114-R120 PolarHBondContact OD1-NH2 3.41Å; D114-R120 IonicContact OD2-CZ 3.9Å; D114-R120 IonicContact OD2-NE 3.88Å; D114-R120 IonicContact OD2-NH2 3.6Å; D114-R120 PolarHBondContact OD2-NH2 3.24Å
115A83.5Confident82.9Confident59 Ų5942.2 Ų42.249%0.48821%0.205SC..THydrogen-bonded Turntrans-74.7-27.3176.600000112.2T111 T112T111-A115 WeakPolarHBondContact O-CB 3.46Å; T112-A115 PolarHBondContact O-N 3.35Å
116I88Confident84.4Confident11 Ų1141.2 Ų41.26%0.05620%0.199CC..SBendtrans-85.6145.7172.763155.3000112.2N60 L76 A79 L83 T112 V113N60-I116 VanDerWaalsContact OD1-CA 3.31Å; N60-I116 WeakPolarHBondContact OD1-CA 3.48Å; N60-I116 WeakPolarHBondContact OD1-CB 3.25Å; L76-I116 HydrophobicContact CD1-CB 4.48Å; L76-I116 HydrophobicContact CD1-CD1 3.83Å; L76-I116 HydrophobicContact CD1-CG2 4.31Å; A79-I116 HydrophobicContact CB-CB 4.43Å; A79-I116 HydrophobicContact CB-CD1 3.57Å; A79-I116 HydrophobicContact CB-CG1 3.78Å; A79-I116 HydrophobicContact CB-CG2 3.79Å; L83-I116 HydrophobicContact CD1-CD1 4.46Å; T112-I116 PolarHBondContact O-N 2.9Å; V113-I116 VanDerWaalsContact O-CG1 3.3Å; V113-I116 WeakPolarHBondContact O-CG1 3.22Å
117K87.4Confident85.3Confident124 Ų12441.7 Ų41.754%0.53921%0.207SC..THydrogen-bonded Turntrans-71.4142.2167-55.3-54.6-177.3-171.60110.1E59 N60 G119E59-K117 HydrophobicContact CB-CB 3.6Å; E59-K117 HydrophobicContact CB-CG 3.99Å; E59-K117 HydrophobicContact CG-CB 4.45Å; E59-K117 VanDerWaalsContact OE2-CB 3.31Å; E59-K117 WeakPolarHBondContact OE2-CB 3.1Å; N60-K117 PolarHBondContact ND2-N 3.45Å; N60-K117 PolarHBondContact ND2-O 3.36Å; N60-K117 PolarHBondContact OD1-N 2.81Å; K117-G119 VanDerWaalsContact C-N 3.31Å; K117-G119 PolarHBondContact O-N 3.46Å
118G86.4Confident86.5Confident16 Ų1641.4 Ų41.417%0.16520%0.204CC..THydrogen-bonded Turntrans80.5-13.4-174.700000116.6R120 R121 V122G118-R120 PolarHBondContact O-N 2.92Å; G118-R121 WeakPolarHBondContact O-CA 3.13Å; G118-R121 VanDerWaalsContact O-CB 3.28Å; G118-R121 WeakPolarHBondContact O-CB 3.21Å; G118-R121 PolarHBondContact O-N 2.69Å; G118-V122 PolarHBondContact O-N 2.89Å
119G87.8Confident87.6Confident0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-59.3-43.5-174.400000114.7V113 K117 R121 V122V113-G119 WeakPolarHBondContact O-CA 3.5Å; K117-G119 VanDerWaalsContact C-N 3.31Å; K117-G119 PolarHBondContact O-N 3.46Å; G119-R121 VanDerWaalsContact C-N 3.3Å; G119-R121 PolarHBondContact O-N 3.06Å; G119-V122 PolarHBondContact O-N 3.12Å
120R89.3Confident87.9Confident91 Ų9147.5 Ų47.534%0.34324%0.239SC..Hα-helixtrans-60.5-35.8170.7-70.3-171.7-166.3-161.31.6113F109 D114 G118 V122 L123 F124F109-R120 HydrophobicContact CZ-CG 4.05Å; D114-R120 VanDerWaalsContact CG-NH2 3.26Å; D114-R120 IonicContact OD1-CZ 3.67Å; D114-R120 IonicContact OD1-NE 3.98Å; D114-R120 PolarHBondContact OD1-NE 3.01Å; D114-R120 IonicContact OD1-NH2 2.72Å; D114-R120 PolarHBondContact OD1-NH2 3.41Å; D114-R120 IonicContact OD2-CZ 3.9Å; D114-R120 IonicContact OD2-NE 3.88Å; D114-R120 IonicContact OD2-NH2 3.6Å; D114-R120 PolarHBondContact OD2-NH2 3.24Å; G118-R120 PolarHBondContact O-N 2.92Å; R120-V122 PolarHBondContact O-N 3.37Å; R120-L123 WeakPolarHBondContact O-CB 3.2Å; R120-L123 PolarHBondContact O-N 3.47Å; R120-F124 WeakPolarHBondContact O-CD2 3.26Å; R120-F124 PolarHBondContact O-N 3.09Å; R120-F124 VanDerWaalsContact O-N 3.08Å
121R90.8Very high88.2Confident96 Ų9646.1 Ų46.136%0.36224%0.24SC..Hα-helixtrans-64-30.3-178.7-171.1159.459.4173.2-3.6111.2T52 E55 G118 G119 F124 L125T52-R121 PolarHBondContact OG1-NE 2.76Å; T52-R121 PolarHBondContact OG1-NH2 3.36Å; E55-R121 IonicContact OE2-CZ 2.7Å; E55-R121 IonicContact OE2-NH1 2.75Å; E55-R121 PolarHBondContact OE2-NH1 2.77Å; E55-R121 IonicContact OE2-NH2 3.38Å; E55-R121 PolarHBondContact OE2-NH2 3.24Å; G118-R121 WeakPolarHBondContact O-CA 3.13Å; G118-R121 VanDerWaalsContact O-CB 3.28Å; G118-R121 WeakPolarHBondContact O-CB 3.21Å; G118-R121 PolarHBondContact O-N 2.69Å; G119-R121 VanDerWaalsContact C-N 3.3Å; G119-R121 PolarHBondContact O-N 3.06Å; R121-F124 PolarHBondContact O-N 3.12Å; R121-L125 WeakPolarHBondContact O-CG 3.38Å; R121-L125 PolarHBondContact O-N 3.28Å; R121-L125 VanDerWaalsContact O-N 3.09Å
122V93.6Very high88.1Confident1 Ų147.4 Ų47.41%0.00624%0.242CC..Hα-helixtrans-68.1-39171.6-172.80000112.2L51 M56 L83 G118 G119 R120 F124 L125 Y126 V153 V157L51-V122 HydrophobicContact CD1-CG2 3.64Å; M56-V122 HydrophobicContact CE-CG2 3.81Å; L83-V122 HydrophobicContact CB-CG1 4.36Å; L83-V122 HydrophobicContact CD1-CB 4Å; L83-V122 HydrophobicContact CD1-CG1 4.2Å; L83-V122 HydrophobicContact CD1-CG2 3.97Å; L83-V122 HydrophobicContact CD2-CB 3.94Å; L83-V122 HydrophobicContact CD2-CG1 3.97Å; L83-V122 HydrophobicContact CG-CG1 4.41Å; G118-V122 PolarHBondContact O-N 2.89Å; G119-V122 PolarHBondContact O-N 3.12Å; R120-V122 PolarHBondContact O-N 3.37Å; V122-F124 PolarHBondContact O-N 3.1Å; V122-L125 WeakPolarHBondContact O-CB 3.27Å; V122-L125 PolarHBondContact O-N 2.97Å; V122-Y126 HydrophobicContact CG1-CD2 4.39Å; V122-Y126 HydrophobicContact CG1-CE1 4.45Å; V122-Y126 HydrophobicContact CG1-CE2 3.94Å; V122-Y126 PolarHBondContact O-N 3.05Å; V122-V153 HydrophobicContact CG1-CG1 4.16Å; V122-V157 HydrophobicContact CG1-CG2 3.74Å
123L92.2Very high86.8Confident1 Ų150.7 Ų50.71%0.00526%0.258CS..Hα-helixtrans-65.2-38.1173.9-64.2-173.8000112.5L83 Y86 V102 F109 R120 L125 Y126 G127 Y128 L136L83-L123 HydrophobicContact CD2-CD2 3.91Å; L83-L123 HydrophobicContact CD2-CG 4.28Å; Y86-L123 HydrophobicContact CD2-CD2 3.92Å; V102-L123 HydrophobicContact CB-CD1 4.05Å; V102-L123 HydrophobicContact CG1-CD1 3.86Å; V102-L123 HydrophobicContact CG2-CD1 4.19Å; V102-L123 HydrophobicContact CG2-CD2 4.4Å; F109-L123 HydrophobicContact CD2-CD1 4.35Å; F109-L123 HydrophobicContact CE2-CD1 3.57Å; F109-L123 HydrophobicContact CZ-CD1 4.3Å; R120-L123 WeakPolarHBondContact O-CB 3.2Å; R120-L123 PolarHBondContact O-N 3.47Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 3.03Å; L123-Y126 HydrophobicContact CD2-CD2 4.13Å; L123-Y126 PolarHBondContact O-N 3.3Å; L123-G127 PolarHBondContact O-N 3.08Å; L123-Y128 HydrophobicContact CB-CD2 4.09Å; L123-Y128 HydrophobicContact CD2-CD2 4.1Å; L123-Y128 HydrophobicContact CD2-CE2 4.13Å; L123-Y128 WeakPolarHBondContact O-CB 3.4Å; L123-Y128 WeakPolarHBondContact O-CD2 3.4Å; L123-Y128 PolarHBondContact O-N 3.29Å; L123-L136 HydrophobicContact CB-CD1 3.95Å; L123-L136 HydrophobicContact CD1-CD1 4.29Å
124F91.4Very high86.1Confident85 Ų8551.9 Ų51.937%0.37326%0.264SS..Hα-helixtrans-61-39.8171.2-82.2-80.5000111.9R120 R121 V122 Y126 G127 T129 L136R120-F124 WeakPolarHBondContact O-CD2 3.26Å; R120-F124 PolarHBondContact O-N 3.09Å; R120-F124 VanDerWaalsContact O-N 3.08Å; R121-F124 PolarHBondContact O-N 3.12Å; V122-F124 PolarHBondContact O-N 3.1Å; F124-Y126 VanDerWaalsContact C-N 3.33Å; F124-Y126 PolarHBondContact O-N 3.43Å; F124-G127 PolarHBondContact O-N 2.81Å; F124-G127 VanDerWaalsContact O-N 3.09Å; F124-T129 HydrophobicContact CD1-CG2 4.2Å; F124-L136 HydrophobicContact CD2-CD1 3.99Å; F124-L136 HydrophobicContact CE1-CD2 4.33Å; F124-L136 HydrophobicContact CE2-CD1 3.71Å; F124-L136 HydrophobicContact CE2-CD2 3.88Å; F124-L136 HydrophobicContact CE2-CG 4.48Å; F124-L136 HydrophobicContact CZ-CD1 4.21Å; F124-L136 HydrophobicContact CZ-CD2 3.59Å
125L93Very high86.1Confident57 Ų5749.5 Ų49.530%0.29825%0.252SS..Hα-helixtrans-66.8-30175-70.6169000113.3H50 R121 V122 L123 G127 V153H50-L125 VanDerWaalsContact O-CD1 3.3Å; H50-L125 WeakPolarHBondContact O-CD1 3.17Å; R121-L125 WeakPolarHBondContact O-CG 3.38Å; R121-L125 PolarHBondContact O-N 3.28Å; R121-L125 VanDerWaalsContact O-N 3.09Å; V122-L125 WeakPolarHBondContact O-CB 3.27Å; V122-L125 PolarHBondContact O-N 2.97Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 3.03Å; L125-G127 PolarHBondContact O-N 2.86Å; L125-V153 HydrophobicContact CB-CG1 3.91Å; L125-V153 HydrophobicContact CB-CG2 3.98Å; L125-V153 HydrophobicContact CD1-CG1 4.4Å
126Y93.9Very high86.2Confident3 Ų346.8 Ų46.81%0.01223%0.229CC..THydrogen-bonded Turntrans-76.4-2.8170.6-67.1-29.6000114.2L83 L90 V122 L123 F124 F138 V150 V153 T154L83-Y126 VanDerWaalsContact O-CE2 3.28Å; L83-Y126 WeakPolarHBondContact O-CE2 3.45Å; L83-Y126 PolarHBondContact O-OH 3.2Å; L90-Y126 HydrophobicContact CD1-CG 4.46Å; V122-Y126 HydrophobicContact CG1-CD2 4.39Å; V122-Y126 HydrophobicContact CG1-CE1 4.45Å; V122-Y126 HydrophobicContact CG1-CE2 3.94Å; V122-Y126 PolarHBondContact O-N 3.05Å; L123-Y126 HydrophobicContact CD2-CD2 4.13Å; L123-Y126 PolarHBondContact O-N 3.3Å; F124-Y126 VanDerWaalsContact C-N 3.33Å; F124-Y126 PolarHBondContact O-N 3.43Å; Y126-F138 WeakPolarHBondContact O-CZ 3.44Å; Y126-V150 HydrophobicContact CD1-CB 4.46Å; Y126-V150 HydrophobicContact CD1-CG1 3.92Å; Y126-V150 HydrophobicContact CD1-CG2 4.4Å; Y126-V150 HydrophobicContact CE1-CG1 4.19Å; Y126-V153 HydrophobicContact CD1-CB 3.93Å; Y126-V153 HydrophobicContact CD1-CG1 3.72Å; Y126-V153 HydrophobicContact CE1-CB 3.73Å; Y126-V153 HydrophobicContact CE1-CG1 3.44Å; Y126-V153 VanDerWaalsContact CE1-CG1 3.44Å; Y126-T154 WeakPolarHBondContact CE1-OG1 3.16Å; Y126-T154 PolarHBondContact OH-OG1 2.75Å
127G89.9Confident86.3Confident22 Ų2246.5 Ų46.523%0.22723%0.228CC..THydrogen-bonded Turntrans97.33.7177.800000116L123 F124 L125 T129 F138L123-G127 PolarHBondContact O-N 3.08Å; F124-G127 PolarHBondContact O-N 2.81Å; F124-G127 VanDerWaalsContact O-N 3.09Å; L125-G127 PolarHBondContact O-N 2.86Å; G127-T129 PolarHBondContact O-N 3Å; G127-F138 WeakPolarHBondContact O-CD1 3.48Å
128Y92.4Very high86.5Confident8 Ų840.9 Ų40.93%0.03120%0.204CC..  trans-76.172.7170.9-59.8-89.5000110.4L90 W99 V102 L123 S137 F138L90-Y128 HydrophobicContact CD1-CE2 3.78Å; W99-Y128 VanDerWaalsContact O-CE1 3.28Å; W99-Y128 WeakPolarHBondContact O-CE1 3.36Å; W99-Y128 PolarHBondContact O-OH 3.27Å; W99-Y128 VanDerWaalsContact O-OH 3.09Å; V102-Y128 HydrophobicContact CG2-CD1 4.22Å; V102-Y128 HydrophobicContact CG2-CE1 3.72Å; V102-Y128 HydrophobicContact CG2-CE2 4.19Å; L123-Y128 HydrophobicContact CB-CD2 4.09Å; L123-Y128 HydrophobicContact CD2-CD2 4.1Å; L123-Y128 HydrophobicContact CD2-CE2 4.13Å; L123-Y128 WeakPolarHBondContact O-CB 3.4Å; L123-Y128 WeakPolarHBondContact O-CD2 3.4Å; L123-Y128 PolarHBondContact O-N 3.29Å; Y128-S137 CarbonylContact C-O 3.56Å; Y128-S137 VanDerWaalsContact C-O 3.31Å; Y128-S137 WeakPolarHBondContact CA-O 3.4Å; Y128-F138 AromaticContact CD1-CD2 3.7Å; Y128-F138 HydrophobicContact CD1-CD2 3.7Å; Y128-F138 AromaticContact CD1-CE2 3.74Å; Y128-F138 HydrophobicContact CD1-CE2 3.74Å; Y128-F138 HydrophobicContact CD2-CE2 4.13Å; Y128-F138 AromaticContact CE1-CD2 3.77Å; Y128-F138 HydrophobicContact CE1-CD2 3.77Å; Y128-F138 AromaticContact CE1-CE2 3.56Å; Y128-F138 HydrophobicContact CE1-CE2 3.56Å; Y128-F138 AromaticContact CE2-CE2 3.98Å; Y128-F138 HydrophobicContact CE2-CE2 3.98Å; Y128-F138 HydrophobicContact CG-CD2 4.26Å; Y128-F138 HydrophobicContact CG-CE2 4.02Å; Y128-F138 AromaticContact CZ-CE2 3.7Å
129T90.8Very high86.6Confident73 Ų7341.3 Ų41.345%0.44820%0.203SC..  trans-98.7-17.2-171.658.10000114.7F124 G127 S137 P139F124-T129 HydrophobicContact CD1-CG2 4.2Å; G127-T129 PolarHBondContact O-N 3Å; T129-S137 PolarHBondContact N-O 3.04Å; T129-S137 VanDerWaalsContact N-O 3.14Å; T129-P139 WeakPolarHBondContact OG1-CD 3.39Å; T129-P139 VanDerWaalsContact OG1-CG 3.24Å; T129-P139 WeakPolarHBondContact OG1-CG 3.27Å
130N87.3Confident86.3Confident58 Ų5847.5 Ų47.531%0.3124%0.236SC..EExtended strand (participates in β ladder)trans-85.6117.6178.8-175.49.8000110.1Q132 L136 S137N130-Q132 PolarHBondContact O-N 3.39Å; N130-L136 WeakPolarHBondContact O-CA 3.35Å; N130-S137 WeakPolarHBondContact CB-O 3.41Å; N130-S137 PolarHBondContact N-O 2.83Å; N130-S137 PolarHBondContact O-N 3.46Å
131Q83.4Confident86.1Confident137 Ų13750.9 Ų50.964%0.6426%0.256SS*.EExtended strand (participates in β ladder)trans-88.9113.2-174.3-171.1167.1-2.500111.5L136Q131-L136 HydrophobicContact CB-CD2 4.24Å; Q131-L136 HydrophobicContact CG-CD2 4.16Å
132Q74Confident85.8Confident84 Ų8448.8 Ų48.839%0.39325%0.254SS..EExtended strand (participates in β ladder)trans-96.1167-177.3-62.7-159.6-9.100112.9N130 D134 G135 S137N130-Q132 PolarHBondContact O-N 3.39Å; Q132-D134 PolarHBondContact O-N 3.06Å; Q132-G135 PolarHBondContact N-O 2.8Å; Q132-G135 PolarHBondContact O-N 2.9Å; Q132-S137 PolarHBondContact NE2-OG 3.28Å
133I58.4Low85.2Confident89 Ų8954.4 Ų54.446%0.45629%0.288SS..THydrogen-bonded Turntrans-44.4-36.4174.8-52.3-167.6000112.5F737 L741I133-F737 HydrophobicContact CB-CE2 4Å; I133-F737 HydrophobicContact CB-CZ 4.32Å; I133-F737 HydrophobicContact CD1-CD2 4.25Å; I133-F737 HydrophobicContact CD1-CE2 4.22Å; I133-F737 HydrophobicContact CG1-CD2 4.22Å; I133-F737 HydrophobicContact CG1-CE2 3.72Å; I133-F737 HydrophobicContact CG2-CD2 4.43Å; I133-F737 HydrophobicContact CG2-CE1 4.46Å; I133-F737 HydrophobicContact CG2-CE2 3.76Å; I133-F737 HydrophobicContact CG2-CZ 3.77Å; I133-L741 HydrophobicContact CG2-CD1 3.86Å
134D70.6Confident84.9Confident24 Ų2460 Ų6013%0.12832%0.315CS..THydrogen-bonded Turntrans-142.347.8177.9-175.7-126.3000111.7K103 H104 N105 Q132 R755K103-D134 CarbonylContact C-O 3.57Å; K103-D134 WeakPolarHBondContact CA-O 3.48Å; H104-D134 PolarHBondContact N-O 2.81Å; N105-D134 VanDerWaalsContact CB-OD1 3.27Å; N105-D134 WeakPolarHBondContact CB-OD1 3.47Å; N105-D134 PolarHBondContact N-OD1 3.36Å; N105-D134 PolarHBondContact N-OD2 3.03Å; N105-D134 VanDerWaalsContact N-OD2 3.12Å; N105-D134 PolarHBondContact OD1-OD1 3.32Å; N105-D134 VanDerWaalsContact OD1-OD1 3.12Å; Q132-D134 PolarHBondContact O-N 3.06Å; D134-R755 VanDerWaalsContact CB-NH1 3.33Å; D134-R755 VanDerWaalsContact CB-NH2 3.25Å; D134-R755 IonicContact OD1-CZ 3.84Å; D134-R755 IonicContact OD1-NH1 3.8Å; D134-R755 PolarHBondContact OD1-NH1 3.39Å; D134-R755 IonicContact OD1-NH2 3.03Å; D134-R755 PolarHBondContact OD1-NH2 2.9Å; D134-R755 IonicContact OD2-CZ 3.47Å; D134-R755 IonicContact OD2-NH1 3.9Å; D134-R755 PolarHBondContact OD2-NH1 3.02Å; D134-R755 IonicContact OD2-NH2 3.34Å
135G84.9Confident84.8Confident1 Ų156.3 Ų56.31%0.0130%0.299CS..EExtended strand (participates in β ladder)trans167.3-167.1178.600000116.3V102 H104 Q132V102-G135 WeakPolarHBondContact O-CA 3.38Å; H104-G135 VanDerWaalsContact CE1-CA 3.46Å; H104-G135 WeakPolarHBondContact CE1-CA 3.41Å; H104-G135 PolarHBondContact ND1-N 3.07Å; Q132-G135 PolarHBondContact N-O 2.8Å; Q132-G135 PolarHBondContact O-N 2.9Å
136L85.8Confident84.7Confident2 Ų258.1 Ų58.11%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-121.6133.5165.7-57.8174.6000107.7V102 L123 F124 N130 Q131V102-L136 PolarHBondContact N-O 3.18Å; V102-L136 PolarHBondContact O-N 2.82Å; V102-L136 VanDerWaalsContact O-N 3.07Å; L123-L136 HydrophobicContact CB-CD1 3.95Å; L123-L136 HydrophobicContact CD1-CD1 4.29Å; F124-L136 HydrophobicContact CD2-CD1 3.99Å; F124-L136 HydrophobicContact CE1-CD2 4.33Å; F124-L136 HydrophobicContact CE2-CD1 3.71Å; F124-L136 HydrophobicContact CE2-CD2 3.88Å; F124-L136 HydrophobicContact CE2-CG 4.48Å; F124-L136 HydrophobicContact CZ-CD1 4.21Å; F124-L136 HydrophobicContact CZ-CD2 3.59Å; N130-L136 WeakPolarHBondContact O-CA 3.35Å; Q131-L136 HydrophobicContact CB-CD2 4.24Å; Q131-L136 HydrophobicContact CG-CD2 4.16Å
137S90.3Very high84.6Confident4 Ų459.2 Ų59.23%0.02832%0.317CS..EExtended strand (participates in β ladder)trans-120.2164.517074.80000111R100 Y128 T129 N130 Q132R100-S137 CarbonylContact O-C 3.6Å; R100-S137 WeakPolarHBondContact O-CA 3.36Å; R100-S137 VanDerWaalsContact O-CB 3.24Å; R100-S137 WeakPolarHBondContact O-CB 3.26Å; Y128-S137 CarbonylContact C-O 3.56Å; Y128-S137 VanDerWaalsContact C-O 3.31Å; Y128-S137 WeakPolarHBondContact CA-O 3.4Å; T129-S137 PolarHBondContact N-O 3.04Å; T129-S137 VanDerWaalsContact N-O 3.14Å; N130-S137 WeakPolarHBondContact CB-O 3.41Å; N130-S137 PolarHBondContact N-O 2.83Å; N130-S137 PolarHBondContact O-N 3.46Å; Q132-S137 PolarHBondContact NE2-OG 3.28Å
138F90.7Very high84.6Confident6 Ų662.5 Ų62.53%0.02633%0.329CS..  trans-60.7151.1157.6-77.4-96.9000109.8L90 W99 R100 Y126 G127 Y128 V142 P145L90-F138 HydrophobicContact CD1-CE2 4.29Å; L90-F138 HydrophobicContact CD1-CZ 4.08Å; L90-F138 HydrophobicContact CD2-CE2 3.83Å; L90-F138 HydrophobicContact CD2-CZ 3.98Å; W99-F138 AromaticContact CE3-CD2 3.88Å; W99-F138 HydrophobicContact CE3-CD2 3.88Å; W99-F138 AromaticContact CE3-CE2 3.8Å; W99-F138 HydrophobicContact CE3-CE2 3.8Å; W99-F138 HydrophobicContact CE3-CZ 4.41Å; W99-F138 HydrophobicContact CZ3-CD1 4.13Å; W99-F138 AromaticContact CZ3-CD2 3.56Å; W99-F138 HydrophobicContact CZ3-CD2 3.56Å; W99-F138 HydrophobicContact CZ3-CE1 4.23Å; W99-F138 AromaticContact CZ3-CE2 3.67Å; W99-F138 HydrophobicContact CZ3-CE2 3.67Å; W99-F138 AromaticContact CZ3-CG 3.8Å; W99-F138 HydrophobicContact CZ3-CG 3.8Å; W99-F138 HydrophobicContact CZ3-CZ 4.01Å; R100-F138 PolarHBondContact O-N 3.35Å; Y126-F138 WeakPolarHBondContact O-CZ 3.44Å; G127-F138 WeakPolarHBondContact O-CD1 3.48Å; Y128-F138 AromaticContact CD1-CD2 3.7Å; Y128-F138 HydrophobicContact CD1-CD2 3.7Å; Y128-F138 AromaticContact CD1-CE2 3.74Å; Y128-F138 HydrophobicContact CD1-CE2 3.74Å; Y128-F138 HydrophobicContact CD2-CE2 4.13Å; Y128-F138 AromaticContact CE1-CD2 3.77Å; Y128-F138 HydrophobicContact CE1-CD2 3.77Å; Y128-F138 AromaticContact CE1-CE2 3.56Å; Y128-F138 HydrophobicContact CE1-CE2 3.56Å; Y128-F138 AromaticContact CE2-CE2 3.98Å; Y128-F138 HydrophobicContact CE2-CE2 3.98Å; Y128-F138 HydrophobicContact CG-CD2 4.26Å; Y128-F138 HydrophobicContact CG-CE2 4.02Å; Y128-F138 AromaticContact CZ-CE2 3.7Å; F138-V142 HydrophobicContact CD1-CB 4.48Å; F138-V142 HydrophobicContact CD1-CG1 3.88Å; F138-P145 HydrophobicContact CE1-CB 3.92Å; F138-P145 HydrophobicContact CZ-CB 3.85Å
139P88.3Confident84.7Confident25 Ų2565.2 Ų65.216%0.16235%0.347CS..  trans-59.9153165.9-20.733.1000111.6R100 T129 E141 V142R100-P139 PolarHBondContact NH2-O 3.48Å; T129-P139 WeakPolarHBondContact OG1-CD 3.39Å; T129-P139 VanDerWaalsContact OG1-CG 3.24Å; T129-P139 WeakPolarHBondContact OG1-CG 3.27Å; P139-E141 WeakPolarHBondContact CB-OE2 3.49Å; P139-E141 PolarHBondContact O-N 2.86Å; P139-V142 HydrophobicContact CB-CG2 4.14Å; P139-V142 HydrophobicContact CG-CG2 4.15Å; P139-V142 PolarHBondContact O-N 2.96Å
140D82.6Confident84.9Confident130 Ų13061.8 Ų61.870%0.69533%0.326SS*.THydrogen-bonded Turntrans-71.3-20.7-175-67.4-39000112.6
141E83.9Confident85.2Confident162 Ų16259 Ų5976%0.75731%0.311SS*.THydrogen-bonded Turntrans-75.4-23.2175.4-50.981.9177.300113P139 T143P139-E141 WeakPolarHBondContact CB-OE2 3.49Å; P139-E141 PolarHBondContact O-N 2.86Å; E141-T143 PolarHBondContact O-N 2.91Å
142V85.6Confident85.7Confident53 Ų5352.8 Ų52.832%0.32128%0.283SS..  trans-87.7100.2-176.1178.70000108.9R100 F138 P139 E144R100-V142 VanDerWaalsContact CZ-O 3.26Å; R100-V142 PolarHBondContact NH1-O 3.37Å; R100-V142 PolarHBondContact NH2-O 3.08Å; F138-V142 HydrophobicContact CD1-CB 4.48Å; F138-V142 HydrophobicContact CD1-CG1 3.88Å; P139-V142 HydrophobicContact CB-CG2 4.14Å; P139-V142 HydrophobicContact CG-CG2 4.15Å; P139-V142 PolarHBondContact O-N 2.96Å; V142-E144 WeakPolarHBondContact CG1-O 3.36Å
143T80.8Confident86.8Confident118 Ų11848.8 Ų48.872%0.72426%0.264SS*.  trans-73.4-36.3-177.348.40000113.6W99 R100 E141W99-T143 WeakPolarHBondContact CH2-O 3.36Å; W99-T143 VanDerWaalsContact CZ2-O 3.31Å; W99-T143 WeakPolarHBondContact CZ2-O 3.46Å; R100-T143 PolarHBondContact NH1-O 3.42Å; E141-T143 PolarHBondContact O-N 2.91Å
144E85.4Confident88.6Confident119 Ų11944.5 Ų44.556%0.55624%0.242SC*.SBendtrans-133.4152.8178.4-65.6-157.7105.700110.7R95 V142R95-E144 IonicContact CZ-OE1 3.92Å; R95-E144 IonicContact NH1-OE1 2.66Å; R95-E144 PolarHBondContact NH1-OE1 2.87Å; R95-E144 IonicContact NH2-OE1 2.98Å; V142-E144 WeakPolarHBondContact CG1-O 3.36Å
145P89.1Confident89.8Confident8 Ų843.5 Ų43.55%0.05224%0.237CC..  trans-73.7150.5176.532.8-34.8000111.5L90 W99 F138 C147L90-P145 HydrophobicContact CB-CB 4.47Å; L90-P145 HydrophobicContact CB-CG 4.31Å; L90-P145 HydrophobicContact CD2-CB 4.18Å; L90-P145 HydrophobicContact CD2-CG 4.16Å; L90-P145 WeakPolarHBondContact O-CG 3.24Å; W99-P145 HydrophobicContact CZ3-CB 4.32Å; W99-P145 HydrophobicContact CZ3-CG 4.31Å; F138-P145 HydrophobicContact CE1-CB 3.92Å; F138-P145 HydrophobicContact CZ-CB 3.85Å; P145-C147 PolarHBondContact O-N 2.91Å
146D91.8Very high90.3Very high94 Ų9443.8 Ų43.850%0.50324%0.238SC..  trans-70.396.8169.2-174-37.9000109.3D148 V149 V150D146-D148 VanDerWaalsContact C-N 3.28Å; D146-D148 PolarHBondContact O-N 3.38Å; D146-D148 PolarHBondContact OD1-N 3.36Å; D146-V149 HydrophobicContact CB-CB 4.11Å; D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 VanDerWaalsContact CG-CG2 3.47Å; D146-V149 PolarHBondContact O-N 3.45Å; D146-V149 WeakPolarHBondContact OD1-CB 3.38Å; D146-V149 WeakPolarHBondContact OD1-CG2 3.47Å; D146-V149 PolarHBondContact OD1-N 2.97Å; D146-V149 WeakPolarHBondContact OD2-CG2 3.43Å; D146-V150 WeakPolarHBondContact O-CB 3.33Å; D146-V150 WeakPolarHBondContact O-CG2 3.11Å; D146-V150 PolarHBondContact O-N 3.42Å
147C90.9Very high90.9Very high27 Ų2743.7 Ų43.718%0.18224%0.237CC..Hα-helixtrans-66-28-173.8-67.70000113.4S22 T91 R95 P145 A151S22-C147 WeakPolarHBondContact CB-O 3.5Å; T91-C147 HydrophobicContact CG2-CB 4.27Å; T91-C147 WeakPolarHBondContact CG2-O 3.35Å; R95-C147 PolarHBondContact NH2-SG 2.98Å; P145-C147 PolarHBondContact O-N 2.91Å; C147-A151 WeakPolarHBondContact O-CB 3.48Å; C147-A151 PolarHBondContact O-N 3.02Å
148D90.8Very high91.1Very high90 Ų9043.7 Ų43.748%0.48124%0.237SC..Hα-helixtrans-79.3-39.3-179.5-71.5-38.4000111.4Q18 S22 D146 A152Q18-D148 PolarHBondContact NE2-O 3.34Å; S22-D148 VanDerWaalsContact CB-OD1 3.22Å; S22-D148 WeakPolarHBondContact CB-OD1 3.39Å; S22-D148 PolarHBondContact OG-OD1 2.73Å; D146-D148 VanDerWaalsContact C-N 3.28Å; D146-D148 PolarHBondContact O-N 3.38Å; D146-D148 PolarHBondContact OD1-N 3.36Å; D148-A152 PolarHBondContact O-N 3.09Å
149V92.8Very high91.4Very high65 Ų6543.7 Ų43.739%0.39424%0.238SC..Hα-helixtrans-65.9-45.3171.2172.10000110.7D146 A151 A152 V153D146-V149 HydrophobicContact CB-CB 4.11Å; D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 VanDerWaalsContact CG-CG2 3.47Å; D146-V149 PolarHBondContact O-N 3.45Å; D146-V149 WeakPolarHBondContact OD1-CB 3.38Å; D146-V149 WeakPolarHBondContact OD1-CG2 3.47Å; D146-V149 PolarHBondContact OD1-N 2.97Å; D146-V149 WeakPolarHBondContact OD2-CG2 3.43Å; V149-A151 PolarHBondContact O-N 2.94Å; V149-A152 PolarHBondContact O-N 3.33Å; V149-V153 WeakPolarHBondContact O-CG2 3.37Å; V149-V153 PolarHBondContact O-N 2.83Å; V149-V153 VanDerWaalsContact O-N 3.07Å
150V95.1Very high91.7Very high2 Ų242.5 Ų42.51%0.01223%0.23CC..Hα-helixtrans-62.5-43176.9174.80000110.6L90 T91 Y126 D146 A152 V153 T154L90-V150 HydrophobicContact CB-CG1 3.92Å; L90-V150 HydrophobicContact CD1-CG1 4.25Å; L90-V150 HydrophobicContact CD1-CG2 4.33Å; T91-V150 HydrophobicContact CG2-CB 3.99Å; T91-V150 HydrophobicContact CG2-CG1 3.76Å; Y126-V150 HydrophobicContact CD1-CB 4.46Å; Y126-V150 HydrophobicContact CD1-CG1 3.92Å; Y126-V150 HydrophobicContact CD1-CG2 4.4Å; Y126-V150 HydrophobicContact CE1-CG1 4.19Å; D146-V150 WeakPolarHBondContact O-CB 3.33Å; D146-V150 WeakPolarHBondContact O-CG2 3.11Å; D146-V150 PolarHBondContact O-N 3.42Å; V150-A152 PolarHBondContact O-N 2.89Å; V150-V153 PolarHBondContact O-N 3.43Å; V150-T154 VanDerWaalsContact O-CB 3.3Å; V150-T154 WeakPolarHBondContact O-CB 3.33Å; V150-T154 PolarHBondContact O-N 3.03Å; V150-T154 PolarHBondContact O-OG1 3.36Å
151A94.1Very high92.3Very high0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-60.5-42.717600000112.6Q18 L21 T91 C147 V149 T154 L155Q18-A151 HydrophobicContact CG-CB 3.95Å; L21-A151 HydrophobicContact CB-CB 4.2Å; L21-A151 HydrophobicContact CG-CB 4.38Å; T91-A151 HydrophobicContact CG2-CB 4.22Å; C147-A151 WeakPolarHBondContact O-CB 3.48Å; C147-A151 PolarHBondContact O-N 3.02Å; V149-A151 PolarHBondContact O-N 2.94Å; A151-T154 PolarHBondContact O-N 2.91Å; A151-L155 VanDerWaalsContact O-CB 3.28Å; A151-L155 WeakPolarHBondContact O-CB 3.35Å; A151-L155 PolarHBondContact O-N 3.2Å
152A94.8Very high92.8Very high5 Ų531.2 Ų31.24%0.04117%0.172CC..Hα-helixtrans-60-47.9176.700000112.3Q18 D148 V149 V150 E156Q18-A152 HydrophobicContact CG-CB 4.44Å; D148-A152 PolarHBondContact O-N 3.09Å; V149-A152 PolarHBondContact O-N 3.33Å; V150-A152 PolarHBondContact O-N 2.89Å; A152-E156 PolarHBondContact O-N 3.12Å
153V96.3Very high93.2Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-66.3-39.8178.5178.80000111H50 V122 L125 Y126 V149 V150 E156 V157H50-V153 HydrophobicContact CB-CG2 3.94Å; V122-V153 HydrophobicContact CG1-CG1 4.16Å; L125-V153 HydrophobicContact CB-CG1 3.91Å; L125-V153 HydrophobicContact CB-CG2 3.98Å; L125-V153 HydrophobicContact CD1-CG1 4.4Å; Y126-V153 HydrophobicContact CD1-CB 3.93Å; Y126-V153 HydrophobicContact CD1-CG1 3.72Å; Y126-V153 HydrophobicContact CE1-CB 3.73Å; Y126-V153 HydrophobicContact CE1-CG1 3.44Å; Y126-V153 VanDerWaalsContact CE1-CG1 3.44Å; V149-V153 WeakPolarHBondContact O-CG2 3.37Å; V149-V153 PolarHBondContact O-N 2.83Å; V149-V153 VanDerWaalsContact O-N 3.07Å; V150-V153 PolarHBondContact O-N 3.43Å; V153-E156 PolarHBondContact O-N 2.99Å; V153-V157 WeakPolarHBondContact O-CG2 3.48Å; V153-V157 PolarHBondContact O-N 2.86Å
154T96Very high93.8Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-66.1-43.5179.9-51.70000110.9L21 G87 Y126 V150 A151 E156 V157 M158L21-T154 HydrophobicContact CD2-CG2 3.88Å; G87-T154 WeakPolarHBondContact CA-OG1 3.48Å; Y126-T154 WeakPolarHBondContact CE1-OG1 3.16Å; Y126-T154 PolarHBondContact OH-OG1 2.75Å; V150-T154 VanDerWaalsContact O-CB 3.3Å; V150-T154 WeakPolarHBondContact O-CB 3.33Å; V150-T154 PolarHBondContact O-N 3.03Å; V150-T154 PolarHBondContact O-OG1 3.36Å; A151-T154 PolarHBondContact O-N 2.91Å; T154-E156 VanDerWaalsContact C-N 3.29Å; T154-E156 PolarHBondContact O-N 2.8Å; T154-V157 WeakPolarHBondContact O-CB 3.42Å; T154-V157 PolarHBondContact O-N 3.12Å; T154-V157 VanDerWaalsContact O-N 3.13Å; T154-M158 HydrophobicContact CG2-CG 4.38Å; T154-M158 HydrophobicContact CG2-SD 4.2Å; T154-M158 WeakPolarHBondContact O-CB 3.39Å; T154-M158 VanDerWaalsContact O-CG 3.24Å; T154-M158 WeakPolarHBondContact O-CG 3.46Å; T154-M158 PolarHBondContact O-N 3.17Å
155L96.1Very high94.2Very high3 Ų319.5 Ų19.52%0.01611%0.106CC..Hα-helixtrans-58.9-39.9176-179.963.4000112R14 A17 Q18 L21 V34 L37 A151 T159R14-L155 HydrophobicContact CG-CD2 3.94Å; A17-L155 HydrophobicContact CB-CD1 3.63Å; A17-L155 HydrophobicContact CB-CD2 3.72Å; A17-L155 HydrophobicContact CB-CG 4.34Å; Q18-L155 HydrophobicContact CB-CD2 4.47Å; L21-L155 HydrophobicContact CD2-CB 4.4Å; V34-L155 HydrophobicContact CG2-CD1 3.73Å; L37-L155 HydrophobicContact CD1-CD1 4.02Å; L37-L155 HydrophobicContact CD1-CD2 4.24Å; L37-L155 HydrophobicContact CD1-CG 4.18Å; A151-L155 VanDerWaalsContact O-CB 3.28Å; A151-L155 WeakPolarHBondContact O-CB 3.35Å; A151-L155 PolarHBondContact O-N 3.2Å; L155-T159 WeakPolarHBondContact O-CB 2.96Å; L155-T159 PolarHBondContact O-N 2.71Å; L155-T159 PolarHBondContact O-OG1 3.34Å
156E96Very high94.3Very high7 Ų720 Ų203%0.03311%0.108CC..Hα-helixtrans-67.1-43.1173.1-77.8-171.7-175.200112.2Y48 R49 H50 L51 A152 V153 T154 M158 T159 L160Y48-E156 HydrophobicContact CD1-CB 3.83Å; Y48-E156 HydrophobicContact CD1-CG 3.88Å; Y48-E156 HydrophobicContact CE1-CB 4.15Å; Y48-E156 HydrophobicContact CE1-CG 4.4Å; Y48-E156 WeakPolarHBondContact CE1-O 3.17Å; R49-E156 PolarHBondContact N-OE1 2.78Å; R49-E156 PolarHBondContact N-OE2 2.9Å; H50-E156 WeakPolarHBondContact CA-OE2 3.42Å; H50-E156 IonicContact CD2-OE1 2.7Å; H50-E156 PolarHBondContact N-OE2 3.24Å; L51-E156 HydrophobicContact CB-CB 4.19Å; L51-E156 WeakPolarHBondContact CB-OE2 3.46Å; L51-E156 PolarHBondContact N-OE2 3.5Å; A152-E156 PolarHBondContact O-N 3.12Å; V153-E156 PolarHBondContact O-N 2.99Å; T154-E156 VanDerWaalsContact C-N 3.29Å; T154-E156 PolarHBondContact O-N 2.8Å; E156-M158 VanDerWaalsContact C-N 3.34Å; E156-M158 PolarHBondContact O-N 3.25Å; E156-T159 PolarHBondContact O-N 2.98Å; E156-L160 PolarHBondContact O-N 3.3Å
157V96.7Very high94.2Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-59.3-42.9174168.80000111.9L51 L80 L83 E84 V122 V153 T154 L160 R161L51-V157 HydrophobicContact CD1-CG2 4.31Å; L80-V157 HydrophobicContact CB-CG1 4.31Å; L80-V157 HydrophobicContact CD2-CG1 4.05Å; L80-V157 WeakPolarHBondContact O-CG1 3.48Å; L83-V157 HydrophobicContact CB-CG1 3.93Å; E84-V157 HydrophobicContact CB-CG1 4.24Å; V122-V157 HydrophobicContact CG1-CG2 3.74Å; V153-V157 WeakPolarHBondContact O-CG2 3.48Å; V153-V157 PolarHBondContact O-N 2.86Å; T154-V157 WeakPolarHBondContact O-CB 3.42Å; T154-V157 PolarHBondContact O-N 3.12Å; T154-V157 VanDerWaalsContact O-N 3.13Å; V157-L160 PolarHBondContact O-N 2.84Å; V157-R161 WeakPolarHBondContact O-CB 3.47Å; V157-R161 PolarHBondContact O-N 2.68Å
158M96.1Very high94Very high3 Ų317.2 Ų17.22%0.0159%0.092CC..Hα-helixtrans-64.6-40176.6-69.9177.680.900112.4L21 A27 V30 V34 E84 T154 E156 T162L21-M158 HydrophobicContact CD2-SD 4.07Å; A27-M158 HydrophobicContact CB-CE 3.62Å; V30-M158 HydrophobicContact CG2-CE 3.75Å; V30-M158 HydrophobicContact CG2-SD 4.01Å; V34-M158 HydrophobicContact CG1-CB 4.12Å; V34-M158 HydrophobicContact CG2-CB 3.85Å; V34-M158 HydrophobicContact CG2-CE 4.18Å; V34-M158 HydrophobicContact CG2-SD 4.41Å; E84-M158 HydrophobicContact CB-CG 4.29Å; E84-M158 HydrophobicContact CG-CE 4.49Å; E84-M158 HydrophobicContact CG-CG 3.62Å; E84-M158 HydrophobicContact CG-SD 4.31Å; T154-M158 HydrophobicContact CG2-CG 4.38Å; T154-M158 HydrophobicContact CG2-SD 4.2Å; T154-M158 WeakPolarHBondContact O-CB 3.39Å; T154-M158 VanDerWaalsContact O-CG 3.24Å; T154-M158 WeakPolarHBondContact O-CG 3.46Å; T154-M158 PolarHBondContact O-N 3.17Å; E156-M158 VanDerWaalsContact C-N 3.34Å; E156-M158 PolarHBondContact O-N 3.25Å; M158-T162 WeakPolarHBondContact O-CB 3.32Å; M158-T162 PolarHBondContact O-N 2.78Å; M158-T162 VanDerWaalsContact O-N 3.15Å; M158-T162 PolarHBondContact O-OG1 3.1Å
159T95.3Very high93.9Very high7 Ų718.7 Ų18.74%0.0439%0.094CC..Hα-helixtrans-65.5-49.3177-53.80000110L37 A38 Y48 L155 E156 R161 T162 E163L37-T159 HydrophobicContact CB-CG2 3.94Å; A38-T159 HydrophobicContact CB-CG2 4.19Å; Y48-T159 WeakPolarHBondContact OH-CG2 3.24Å; L155-T159 WeakPolarHBondContact O-CB 2.96Å; L155-T159 PolarHBondContact O-N 2.71Å; L155-T159 PolarHBondContact O-OG1 3.34Å; E156-T159 PolarHBondContact O-N 2.98Å; T159-R161 PolarHBondContact O-N 3.04Å; T159-T162 PolarHBondContact O-N 2.63Å; T159-E163 PolarHBondContact O-N 3.05Å
160L95Very high93.5Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-64.6-40.7-179.4-174.964000112Y48 L51 A53 M56 L57 L80 E156 V157 T162 E163 V164Y48-L160 HydrophobicContact CE1-CB 3.94Å; Y48-L160 HydrophobicContact CE2-CD1 4.34Å; Y48-L160 WeakPolarHBondContact OH-CA 3.45Å; Y48-L160 PolarHBondContact OH-N 3.08Å; L51-L160 HydrophobicContact CD2-CB 4.08Å; L51-L160 HydrophobicContact CD2-CD2 3.55Å; L51-L160 HydrophobicContact CD2-CG 4.45Å; A53-L160 HydrophobicContact CB-CD1 4.23Å; A53-L160 HydrophobicContact CB-CD2 4.09Å; M56-L160 HydrophobicContact SD-CD2 4.02Å; L57-L160 HydrophobicContact CD1-CD1 4.14Å; L57-L160 HydrophobicContact CD2-CD1 4.36Å; L57-L160 HydrophobicContact CG-CD1 4.37Å; L80-L160 HydrophobicContact CD1-CB 4.32Å; L80-L160 HydrophobicContact CD1-CD2 4.01Å; L80-L160 HydrophobicContact CD1-CG 3.94Å; L80-L160 HydrophobicContact CD2-CD2 4.43Å; E156-L160 PolarHBondContact O-N 3.3Å; V157-L160 PolarHBondContact O-N 2.84Å; L160-T162 PolarHBondContact O-N 3.32Å; L160-E163 PolarHBondContact O-N 2.84Å; L160-V164 HydrophobicContact CD1-CG2 4.09Å; L160-V164 HydrophobicContact CG-CG2 4.34Å; L160-V164 WeakPolarHBondContact O-CG2 3.27Å; L160-V164 PolarHBondContact O-N 2.69Å
161R96.3Very high93.3Very high43 Ų4323.1 Ų23.116%0.16213%0.126CC..Hα-helixtrans-57.4-39.1173.8-171-165.750.542.810111.1V77 L80 E84 V157 T159 D165V77-R161 HydrophobicContact CG1-CG 3.92Å; L80-R161 HydrophobicContact CB-CB 3.86Å; L80-R161 HydrophobicContact CB-CG 4.08Å; L80-R161 HydrophobicContact CD1-CB 4.3Å; E84-R161 IonicContact OE1-NH2 3.42Å; E84-R161 IonicContact OE2-CZ 3.54Å; E84-R161 IonicContact OE2-NE 3.48Å; E84-R161 PolarHBondContact OE2-NE 3.07Å; E84-R161 IonicContact OE2-NH2 2.7Å; E84-R161 PolarHBondContact OE2-NH2 3.18Å; E84-R161 VanDerWaalsContact OE2-NH2 3.15Å; V157-R161 WeakPolarHBondContact O-CB 3.47Å; V157-R161 PolarHBondContact O-N 2.68Å; T159-R161 PolarHBondContact O-N 3.04Å; R161-D165 VanDerWaalsContact O-CB 3.22Å; R161-D165 WeakPolarHBondContact O-CB 3.49Å; R161-D165 PolarHBondContact O-N 2.97Å; R161-D165 VanDerWaalsContact O-N 3.08Å
162T94.8Very high93.1Very high11 Ų1123.8 Ų23.87%0.06713%0.129CC..Hα-helixtrans-77.3-40.2-176.3-55.80000111.7V34 L35 A38 M158 T159 L160 D165 M166V34-T162 HydrophobicContact CG1-CG2 4.44Å; V34-T162 WeakPolarHBondContact CG1-OG1 3.28Å; L35-T162 HydrophobicContact CD2-CG2 3.88Å; A38-T162 HydrophobicContact CB-CG2 4.08Å; M158-T162 WeakPolarHBondContact O-CB 3.32Å; M158-T162 PolarHBondContact O-N 2.78Å; M158-T162 VanDerWaalsContact O-N 3.15Å; M158-T162 PolarHBondContact O-OG1 3.1Å; T159-T162 PolarHBondContact O-N 2.63Å; L160-T162 PolarHBondContact O-N 3.32Å; T162-D165 PolarHBondContact O-N 3.46Å; T162-M166 HydrophobicContact CG2-CE 4.43Å; T162-M166 WeakPolarHBondContact O-CG 3.26Å; T162-M166 PolarHBondContact O-N 3.01Å
163E93.8Very high92.7Very high1 Ų126.7 Ų26.71%0.00515%0.147CC..Hα-helixtrans-60.3-49.3171.2-70.3-168.6107.400111.8A38 K47 Y48 T159 L160 D165 M166 L167 H172 F178A38-E163 HydrophobicContact CB-CG 3.71Å; K47-E163 WeakPolarHBondContact CE-OE1 3.21Å; K47-E163 IonicContact NZ-OE1 3.1Å; K47-E163 PolarHBondContact NZ-OE1 3.05Å; Y48-E163 WeakPolarHBondContact CE2-OE2 3.44Å; Y48-E163 PolarHBondContact OH-OE2 3.45Å; T159-E163 PolarHBondContact O-N 3.05Å; L160-E163 PolarHBondContact O-N 2.84Å; E163-D165 VanDerWaalsContact C-N 3.35Å; E163-D165 PolarHBondContact O-N 2.83Å; E163-M166 PolarHBondContact O-N 3.47Å; E163-L167 VanDerWaalsContact O-CG 3.31Å; E163-L167 WeakPolarHBondContact O-CG 3.36Å; E163-L167 PolarHBondContact O-N 3.36Å; E163-H172 PolarHBondContact O-CD2 3.44Å; E163-H172 IonicContact OE1-CE1 3.65Å; E163-H172 IonicContact OE1-NE2 2.65Å; E163-H172 PolarHBondContact OE1-NE2 2.83Å; E163-F178 HydrophobicContact CB-CZ 4.2Å; E163-F178 HydrophobicContact CG-CZ 4.49Å; E163-F178 WeakPolarHBondContact OE1-CZ 3.4Å
164V92.4Very high92.3Very high0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-65.3-37-179179.50000112.2L57 L73 V77 L160 L167 L168L57-V164 HydrophobicContact CD2-CG2 3.71Å; L73-V164 HydrophobicContact CB-CG1 3.93Å; L73-V164 HydrophobicContact CD2-CG1 3.82Å; L73-V164 HydrophobicContact CG-CG1 4.33Å; V77-V164 HydrophobicContact CG2-CB 3.86Å; V77-V164 HydrophobicContact CG2-CG1 3.55Å; L160-V164 HydrophobicContact CD1-CG2 4.09Å; L160-V164 HydrophobicContact CG-CG2 4.34Å; L160-V164 WeakPolarHBondContact O-CG2 3.27Å; L160-V164 PolarHBondContact O-N 2.69Å; V164-L167 PolarHBondContact O-N 2.73Å; V164-L168 HydrophobicContact CG1-CD1 4.29Å; V164-L168 WeakPolarHBondContact O-CB 3.19Å; V164-L168 WeakPolarHBondContact O-CG 3.3Å; V164-L168 PolarHBondContact O-N 2.82Å
165D93.3Very high91.7Very high43 Ų4331.1 Ų31.123%0.2317%0.171CC..Hα-helixtrans-65.2-38.1173.6179.766000112.3V77 R161 T162 E163 K169V77-D165 HydrophobicContact CG1-CB 4.44Å; V77-D165 HydrophobicContact CG2-CB 4.38Å; R161-D165 VanDerWaalsContact O-CB 3.22Å; R161-D165 WeakPolarHBondContact O-CB 3.49Å; R161-D165 PolarHBondContact O-N 2.97Å; R161-D165 VanDerWaalsContact O-N 3.08Å; T162-D165 PolarHBondContact O-N 3.46Å; E163-D165 VanDerWaalsContact C-N 3.35Å; E163-D165 PolarHBondContact O-N 2.83Å; D165-K169 WeakPolarHBondContact O-CB 3.5Å; D165-K169 WeakPolarHBondContact O-CD 3.46Å; D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.3Å; D165-K169 PolarHBondContact O-N 2.99Å; D165-K169 WeakPolarHBondContact OD1-CE 3.39Å; D165-K169 IonicContact OD1-NZ 2.72Å; D165-K169 PolarHBondContact OD1-NZ 2.94Å; D165-K169 IonicContact OD2-NZ 3.19Å; D165-K169 PolarHBondContact OD2-NZ 3.41Å
166M91.6Very high91.1Very high18 Ų1835.1 Ų35.19%0.08919%0.19CC..Hα-helixtrans-69.8-36.7173.2-72.1-170.3-57.700112.9A38 T162 E163 K169 G170 I171 H172A38-M166 HydrophobicContact CB-CE 3.64Å; T162-M166 HydrophobicContact CG2-CE 4.43Å; T162-M166 WeakPolarHBondContact O-CG 3.26Å; T162-M166 PolarHBondContact O-N 3.01Å; E163-M166 PolarHBondContact O-N 3.47Å; M166-K169 PolarHBondContact O-N 3.47Å; M166-G170 PolarHBondContact O-N 3.36Å; M166-G170 VanDerWaalsContact O-N 3.12Å; M166-I171 HydrophobicContact CB-CG1 3.97Å; M166-I171 HydrophobicContact CG-CD1 4.25Å; M166-I171 HydrophobicContact CG-CG1 4.04Å; M166-I171 PolarHBondContact O-N 3.36Å; M166-H172 HydrophobicContact CB-CB 4.09Å; M166-H172 PolarHBondContact O-N 2.87Å
167L89.3Confident90.5Very high12 Ų1236.2 Ų36.26%0.06320%0.198CC..Hα-helixtrans-65.6-44.5174.6-69.2165.3000111.2E163 V164 K169 G170 H172 P175 F178 I182 L185E163-L167 VanDerWaalsContact O-CG 3.31Å; E163-L167 WeakPolarHBondContact O-CG 3.36Å; E163-L167 PolarHBondContact O-N 3.36Å; V164-L167 PolarHBondContact O-N 2.73Å; L167-K169 PolarHBondContact O-N 2.85Å; L167-G170 PolarHBondContact O-N 2.8Å; L167-G170 VanDerWaalsContact O-N 3.12Å; L167-H172 HydrophobicContact CD2-CB 3.56Å; L167-H172 HydrophobicContact CG-CB 3.98Å; L167-P175 HydrophobicContact CD2-CB 4.1Å; L167-F178 HydrophobicContact CD1-CB 4.27Å; L167-F178 HydrophobicContact CD1-CD1 3.75Å; L167-F178 HydrophobicContact CD1-CD2 3.78Å; L167-F178 HydrophobicContact CD1-CE1 4Å; L167-F178 HydrophobicContact CD1-CE2 4.03Å; L167-F178 HydrophobicContact CD1-CG 3.64Å; L167-F178 HydrophobicContact CD1-CZ 4.14Å; L167-F178 HydrophobicContact CD2-CD2 3.99Å; L167-F178 HydrophobicContact CD2-CG 4.34Å; L167-F178 HydrophobicContact CG-CD2 4.46Å; L167-I182 HydrophobicContact CD1-CD1 4.34Å; L167-L185 HydrophobicContact CD2-CD1 4.23Å; L167-L185 HydrophobicContact CD2-CD2 4.22Å
168L88.4Confident90.1Very high52 Ų5236.2 Ų36.227%0.27220%0.198SC..Hα-helixtrans-58.9-32.6174.3-84169.4000113.2L73 V77 V164L73-L168 HydrophobicContact CB-CD1 4.08Å; L73-L168 HydrophobicContact CB-CD2 3.84Å; L73-L168 HydrophobicContact CB-CG 4.01Å; L73-L168 HydrophobicContact CD1-CD2 4.42Å; V77-L168 HydrophobicContact CG2-CD1 3.96Å; V164-L168 HydrophobicContact CG1-CD1 4.29Å; V164-L168 WeakPolarHBondContact O-CB 3.19Å; V164-L168 WeakPolarHBondContact O-CG 3.3Å; V164-L168 PolarHBondContact O-N 2.82Å
169K88.2Confident89.3Confident121 Ų12141.8 Ų41.853%0.52622%0.222SC..THydrogen-bonded Turntrans-88.7-5.1179-71.6167.8-174.21680113.7D165 M166 L167 I171D165-K169 WeakPolarHBondContact O-CB 3.5Å; D165-K169 WeakPolarHBondContact O-CD 3.46Å; D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.3Å; D165-K169 PolarHBondContact O-N 2.99Å; D165-K169 WeakPolarHBondContact OD1-CE 3.39Å; D165-K169 IonicContact OD1-NZ 2.72Å; D165-K169 PolarHBondContact OD1-NZ 2.94Å; D165-K169 IonicContact OD2-NZ 3.19Å; D165-K169 PolarHBondContact OD2-NZ 3.41Å; M166-K169 PolarHBondContact O-N 3.47Å; L167-K169 PolarHBondContact O-N 2.85Å; K169-I171 HydrophobicContact CB-CD1 4.07Å; K169-I171 HydrophobicContact CB-CG1 3.89Å; K169-I171 HydrophobicContact CB-CG2 4.45Å; K169-I171 HydrophobicContact CD-CD1 4.23Å; K169-I171 PolarHBondContact O-N 3.41Å
170G84.6Confident88.3Confident49 Ų4948.7 Ų48.751%0.50526%0.258SS..THydrogen-bonded Turntrans68.716.5-17600000114.8M166 L167M166-G170 PolarHBondContact O-N 3.36Å; M166-G170 VanDerWaalsContact O-N 3.12Å; L167-G170 PolarHBondContact O-N 2.8Å; L167-G170 VanDerWaalsContact O-N 3.12Å
171I89.9Confident87.8Confident111 Ų11149.3 Ų49.357%0.56926%0.262SS*.  trans-108.26.1-175.765177.7000113.5M166 K169M166-I171 HydrophobicContact CB-CG1 3.97Å; M166-I171 HydrophobicContact CG-CD1 4.25Å; M166-I171 HydrophobicContact CG-CG1 4.04Å; M166-I171 PolarHBondContact O-N 3.36Å; K169-I171 HydrophobicContact CB-CD1 4.07Å; K169-I171 HydrophobicContact CB-CG1 3.89Å; K169-I171 HydrophobicContact CB-CG2 4.45Å; K169-I171 HydrophobicContact CD-CD1 4.23Å; K169-I171 PolarHBondContact O-N 3.41Å
172H89.9Confident87.1Confident14 Ų1447.4 Ų47.47%0.06526%0.255CS..  trans-64.9129.6178.8-162.1-84.4000110.4E163 M166 L167 H174 P175 F178E163-H172 PolarHBondContact O-CD2 3.44Å; E163-H172 IonicContact OE1-CE1 3.65Å; E163-H172 IonicContact OE1-NE2 2.65Å; E163-H172 PolarHBondContact OE1-NE2 2.83Å; M166-H172 HydrophobicContact CB-CB 4.09Å; M166-H172 PolarHBondContact O-N 2.87Å; L167-H172 HydrophobicContact CD2-CB 3.56Å; L167-H172 HydrophobicContact CG-CB 3.98Å; H172-H174 VanDerWaalsContact C-N 3.31Å; H172-H174 VanDerWaalsContact ND1-C 3.25Å; H172-H174 PolarHBondContact ND1-N 2.86Å; H172-H174 VanDerWaalsContact ND1-N 3.16Å; H172-H174 PolarHBondContact ND1-O 2.91Å; H172-H174 PolarHBondContact O-N 3.36Å; H172-P175 WeakPolarHBondContact O-CD 3.46Å; H172-F178 AromaticContact CE1-CE2 3.63Å; H172-F178 AromaticContact NE2-CE2 3.79Å
173P86.8Confident85.9Confident66 Ų6650.2 Ų50.243%0.42927%0.273SS..SBendtrans-63.6-35.1-179.1-25.135.3000113.9P175P173-P175 WeakPolarHBondContact O-CD 3.48Å
174H87.1Confident84.5Confident52 Ų5251.8 Ų51.824%0.24129%0.29CS..  trans-126.765.6-173.7-66.1-64.9000113.1S39 H172 E176 C177S39-H174 PolarHBondContact O-CD2 3.39Å; H172-H174 VanDerWaalsContact C-N 3.31Å; H172-H174 VanDerWaalsContact ND1-C 3.25Å; H172-H174 PolarHBondContact ND1-N 2.86Å; H172-H174 VanDerWaalsContact ND1-N 3.16Å; H172-H174 PolarHBondContact ND1-O 2.91Å; H172-H174 PolarHBondContact O-N 3.36Å; H174-E176 VanDerWaalsContact CA-OE1 3.31Å; H174-E176 WeakPolarHBondContact CA-OE1 3.4Å; H174-E176 WeakPolarHBondContact CB-OE1 3.26Å; H174-E176 IonicContact CG-OE1 2.72Å; H174-E176 IonicContact ND1-OE1 3.8Å; H174-E176 PolarHBondContact ND1-OE1 2.87Å; H174-E176 PolarHBondContact O-N 3.21Å; H174-C177 PolarHBondContact O-N 3.39Å
175P84.4Confident83.2Confident40 Ų4053.3 Ų53.326%0.2630%0.298SS..G310 helixtrans-68-19.8-17830.1-35.5000112.7L167 H172 P173 C177 F178 L185L167-P175 HydrophobicContact CD2-CB 4.1Å; H172-P175 WeakPolarHBondContact O-CD 3.46Å; P173-P175 WeakPolarHBondContact O-CD 3.48Å; P175-C177 PolarHBondContact O-N 3.5Å; P175-F178 PolarHBondContact O-N 3.36Å; P175-F178 VanDerWaalsContact O-N 3.13Å; P175-L185 HydrophobicContact CB-CD2 4.13Å
176E82.3Confident81.1Confident88 Ų8857.1 Ų57.141%0.41132%0.323SS..G310 helixtrans-56.7-33173.557.6-77174.300114.2H174 F178 K179H174-E176 VanDerWaalsContact CA-OE1 3.31Å; H174-E176 WeakPolarHBondContact CA-OE1 3.4Å; H174-E176 WeakPolarHBondContact CB-OE1 3.26Å; H174-E176 IonicContact CG-OE1 2.72Å; H174-E176 IonicContact ND1-OE1 3.8Å; H174-E176 PolarHBondContact ND1-OE1 2.87Å; H174-E176 PolarHBondContact O-N 3.21Å; E176-F178 PolarHBondContact O-N 3.21Å; E176-K179 HydrophobicContact CB-CD 4.2Å; E176-K179 PolarHBondContact O-N 2.95Å
177C84.8Confident78.9Confident30 Ų3061.3 Ų61.320%0.20335%0.345CS..G310 helixtrans-61.7-12177-60.50000113.8H174 P175 I181H174-C177 PolarHBondContact O-N 3.39Å; P175-C177 PolarHBondContact O-N 3.5Å; C177-I181 WeakPolarHBondContact O-CD1 3.32Å
178F86.9Confident76.6Confident0 Ų069.6 Ų69.60%038%0.383CS..G310 helixtrans-115.7-6.6-175.8-64.1-88.4000114.5V44 L57 E163 L167 H172 P175 E176 D180 I181 I182 L185V44-F178 HydrophobicContact CG2-CD1 3.92Å; V44-F178 HydrophobicContact CG2-CE1 3.44Å; V44-F178 VanDerWaalsContact CG2-CE1 3.44Å; V44-F178 HydrophobicContact CG2-CZ 3.78Å; L57-F178 HydrophobicContact CD1-CD1 3.89Å; L57-F178 HydrophobicContact CD1-CE1 3.79Å; E163-F178 HydrophobicContact CB-CZ 4.2Å; E163-F178 HydrophobicContact CG-CZ 4.49Å; E163-F178 WeakPolarHBondContact OE1-CZ 3.4Å; L167-F178 HydrophobicContact CD1-CB 4.27Å; L167-F178 HydrophobicContact CD1-CD1 3.75Å; L167-F178 HydrophobicContact CD1-CD2 3.78Å; L167-F178 HydrophobicContact CD1-CE1 4Å; L167-F178 HydrophobicContact CD1-CE2 4.03Å; L167-F178 HydrophobicContact CD1-CG 3.64Å; L167-F178 HydrophobicContact CD1-CZ 4.14Å; L167-F178 HydrophobicContact CD2-CD2 3.99Å; L167-F178 HydrophobicContact CD2-CG 4.34Å; L167-F178 HydrophobicContact CG-CD2 4.46Å; H172-F178 AromaticContact CE1-CE2 3.63Å; H172-F178 AromaticContact NE2-CE2 3.79Å; P175-F178 PolarHBondContact O-N 3.36Å; P175-F178 VanDerWaalsContact O-N 3.13Å; E176-F178 PolarHBondContact O-N 3.21Å; F178-D180 VanDerWaalsContact C-N 3.33Å; F178-D180 PolarHBondContact O-N 2.9Å; F178-I181 WeakPolarHBondContact O-CB 3.49Å; F178-I181 PolarHBondContact O-N 2.85Å; F178-I182 HydrophobicContact CB-CD1 4.28Å; F178-I182 HydrophobicContact CD1-CD1 4.18Å; F178-I182 PolarHBondContact O-N 2.76Å; F178-L185 HydrophobicContact CB-CD1 3.93Å
179K79.2Confident73.9Confident119 Ų11973.5 Ų73.552%0.51741%0.41SS..THydrogen-bonded Turntrans-62.6-35.1-172.6-72.8173.5-173.2160.20113.7E176 I181E176-K179 HydrophobicContact CB-CD 4.2Å; E176-K179 PolarHBondContact O-N 2.95Å; K179-I181 VanDerWaalsContact C-N 3.3Å
180D75.9Confident71.1Confident152 Ų15276.6 Ų76.681%0.81343%0.426SS*.THydrogen-bonded Turntrans-87.83.9176.8-60.5-42.3000113.4F178F178-D180 VanDerWaalsContact C-N 3.33Å; F178-D180 PolarHBondContact O-N 2.9Å
181I82.8Confident68.6Low14 Ų1482.8 Ų82.87%0.07244%0.442CS..THydrogen-bonded Turntrans-113.6-42-174.7-55.3177.3000111V44 E54 L57 K58 C177 F178 K179V44-I181 HydrophobicContact CB-CD1 3.77Å; V44-I181 HydrophobicContact CG1-CD1 4.42Å; V44-I181 HydrophobicContact CG2-CD1 3.49Å; V44-I181 VanDerWaalsContact CG2-CD1 3.49Å; E54-I181 HydrophobicContact CG-CD1 4.02Å; E54-I181 HydrophobicContact CG-CG1 4.12Å; E54-I181 HydrophobicContact CG-CG2 4.2Å; L57-I181 HydrophobicContact CB-CG2 3.58Å; L57-I181 HydrophobicContact CD1-CG2 3.94Å; L57-I181 HydrophobicContact CG-CG2 4.43Å; K58-I181 HydrophobicContact CG-CG2 4.01Å; K58-I181 WeakPolarHBondContact CG-O 3.38Å; C177-I181 WeakPolarHBondContact O-CD1 3.32Å; F178-I181 WeakPolarHBondContact O-CB 3.49Å; F178-I181 PolarHBondContact O-N 2.85Å; K179-I181 VanDerWaalsContact C-N 3.3Å
182I82.7Confident65.5Low2 Ų284.7 Ų84.71%0.0146%0.459CS..SBendtrans-116.8110.7-174.7-58.7173.5000109.1L57 T61 V69 L73 L167 F178 G184 L185L57-I182 HydrophobicContact CB-CG1 4.44Å; L57-I182 HydrophobicContact CD2-CD1 4.17Å; T61-I182 HydrophobicContact CG2-CG1 4.37Å; T61-I182 HydrophobicContact CG2-CG2 4.09Å; V69-I182 HydrophobicContact CG1-CG2 3.73Å; L73-I182 HydrophobicContact CD1-CD1 4.46Å; L73-I182 HydrophobicContact CD1-CG2 4.25Å; L73-I182 HydrophobicContact CD2-CD1 4.23Å; L167-I182 HydrophobicContact CD1-CD1 4.34Å; F178-I182 HydrophobicContact CB-CD1 4.28Å; F178-I182 HydrophobicContact CD1-CD1 4.18Å; F178-I182 PolarHBondContact O-N 2.76Å; I182-G184 PolarHBondContact O-N 3.03Å; I182-L185 HydrophobicContact CB-CD1 3.84Å; I182-L185 HydrophobicContact CD1-CD1 3.83Å; I182-L185 HydrophobicContact CG1-CD1 4.38Å; I182-L185 HydrophobicContact CG2-CD1 4Å
183P68.6Low62.7Low70 Ų7091 Ų9146%0.45549%0.493SS..THydrogen-bonded Turntrans-59.7133.6178.3-23.934.5000112.5
184G65.1Low60Low35 Ų3595.1 Ų95.136%0.36151%0.511SS..THydrogen-bonded Turntrans84.413.7171.100000116.4N66 I182 T186N66-G184 PolarHBondContact ND2-O 3.07Å; N66-G184 VanDerWaalsContact ND2-O 3.08Å; I182-G184 PolarHBondContact O-N 3.03Å; G184-T186 PolarHBondContact O-N 2.84Å
185L64.8Low57.1Low31 Ų3197.7 Ų97.716%0.16254%0.535CS..  trans-72.543.5179.3-145.1157.1000113.7L167 P175 F178 I182L167-L185 HydrophobicContact CD2-CD1 4.23Å; L167-L185 HydrophobicContact CD2-CD2 4.22Å; P175-L185 HydrophobicContact CB-CD2 4.13Å; F178-L185 HydrophobicContact CB-CD1 3.93Å; I182-L185 HydrophobicContact CB-CD1 3.84Å; I182-L185 HydrophobicContact CD1-CD1 3.83Å; I182-L185 HydrophobicContact CG1-CD1 4.38Å; I182-L185 HydrophobicContact CG2-CD1 4Å
186T49.9Very low54.4Low123 Ų123103.2 Ų103.276%0.75556%0.563SS**  trans-101.671.6177.4-45.70000109.5G184 Q188G184-T186 PolarHBondContact O-N 2.84Å; T186-Q188 PolarHBondContact O-N 3.38Å
187L44.8Very low52.8Low107 Ų107104.3 Ų104.356%0.5658%0.577SS**  trans-77.9112.2167.7-99.678.7000110
188Q40.3Very low51.1Low185 Ų185108.8 Ų108.886%0.86461%0.606SS**  trans30.997.1144.6-64.7174.7-6.200116.4T186T186-Q188 PolarHBondContact O-N 3.38Å
189T32.2Very low48.1Very low134 Ų134112.3 Ų112.382%0.82264%0.643SS**  trans-122.161.2161.4-41.70000109.7
190E29.9Very low45.7Very low187 Ų187114.1 Ų114.187%0.87466%0.658SS**  trans-111.2122.4159.3-70.3-167.5145.100107.5T192E190-T192 PolarHBondContact O-N 2.85Å
191Q33Very low43.3Very low179 Ų179114.5 Ų114.584%0.83666%0.66SS**  trans-84.2112.8-174.5-64.4171.2-74.800109.1D193Q191-D193 PolarHBondContact O-N 2.82Å
192T24.9Very low40.7Very low150 Ų150117.5 Ų117.592%0.9269%0.694SS**  trans-7876.6162.255.10000109.1E190E190-T192 PolarHBondContact O-N 2.85Å
193D30.5Very low38.1Very low146 Ų146127.2 Ų127.278%0.78174%0.739SS**  trans-103104.3166.5-170.423.3000108.1Q191Q191-D193 PolarHBondContact O-N 2.82Å
194D28.9Very low35.9Very low153 Ų153127.5 Ų127.582%0.81876%0.755SS**  trans-164.3164.4141.3-141.5-22.4000112.5
195S27.7Very low34.1Very low106 Ų106133.5 Ų133.574%0.74178%0.779SS**  trans-108.3139.4170-65.10000111.6
196N26.7Very low32.3Very low157 Ų157140.6 Ų140.684%0.8481%0.808SS**  trans-54.3164.8173.1-78.9-36.7000114.2
197P49.4Very low31.5Very low110 Ų110140.6 Ų140.671%0.71481%0.81SS**  cis-138.6-141-36.342.8-23.6000108.4
198P48.9Very low30.6Very low124 Ų124144.9 Ų144.981%0.80583%0.827SS**  cis-125.6173.3-28.439.8-24.9000114
199G24.8Very low30Very low75 Ų75140.5 Ų140.577%0.77382%0.823SS**  trans179.995.6169.700000117.4
200D26.9Very low30.3Very low157 Ų157140 Ų14084%0.8482%0.822SS**  trans30.6149.8144.1-135.75.2000125.5
201D27.1Very low30.4Very low160 Ų160136.8 Ų136.886%0.85682%0.817SS**  trans23.4143.2159.7-103.2-13.7000124.4
202G27Very low30.3Very low76 Ų76134 Ų13478%0.78482%0.815SS**  trans157.2107.315900000118.4
203Q27.7Very low30.6Very low207 Ų207135 Ų13597%0.96781%0.813SS**  trans-80.7156171.5-62.1164-22.300112.6
204G24.1Very low30.5Very low76 Ų76134.5 Ų134.578%0.78482%0.815SS**  trans168.769.3163.500000123.3
205D27.1Very low30.6Very low161 Ų161136.7 Ų136.786%0.86182%0.818SS**  trans62.6-172.2140.2-130.5-37.6000122.8
206K27.2Very low30.6Very low180 Ų180137.6 Ų137.678%0.78382%0.821SS**  trans-95.2164.3-152.2-86.9173.2175.9169.80117.8
207P32.1Very low30.6Very low122 Ų122136.5 Ų136.579%0.79282%0.82SS**  trans-77.5156.5178.533.2-37.7000114.5
208Q25.3Very low29.7Very low197 Ų197136.5 Ų136.592%0.92182%0.82SS**  trans-129.8160.2166.1-73.7-165.6-10.100112.5
209A28.5Very low28.8Very low94 Ų94137.6 Ų137.678%0.77782%0.818SS**PPolyproline II helixtrans-93.2167.6-171.900000112.8
210P39.3Very low29Very low122 Ų122140.1 Ų140.179%0.79282%0.821SS**PPolyproline II helixtrans-92152.8-159.235.2-36.3000115.7
211P30.8Very low29Very low120 Ų120143.5 Ų143.578%0.77982%0.822SS**PPolyproline II helixtrans-88.9166.3160.935.3-31.2000112.7
212P32.3Very low29.1Very low120 Ų120144.9 Ų144.978%0.77982%0.823SS**  trans-102.6174.9-154.639.4-37.8000117.1
213L30.3Very low29Very low171 Ų171147.6 Ų147.690%0.89583%0.825SS**  trans-55.1140.1178.3-79.370.2000114.3
214V27.8Very low29Very low136 Ų136147 Ų14782%0.82482%0.822SS**  trans-122136.4159.4176.80000108.9
215K32.4Very low29.1Very low200 Ų200151 Ų15187%0.8783%0.825SS**  trans-83.4145.4177.1-63.1177.2179.3177.30111.6
216P26.8Very low29.2Very low124 Ų124149.4 Ų149.481%0.80582%0.823SS**  trans-105.1159.2148.6-10.930.2000114
217T27Very low29.2Very low135 Ų135150.3 Ų150.383%0.82883%0.827SS**  trans-95.3153.3-179.4-510000110
218P30.3Very low29.1Very low109 Ų109149.9 Ų149.971%0.70883%0.825SS**  trans-93.3-178.4-165.637.4-39000115.8
219L30.5Very low29.4Very low147 Ų147146.6 Ų146.677%0.7782%0.82SS**  trans81.8145.9171.6-68.7162.4000114.6R221L219-R221 HydrophobicContact CD2-CB 4.2Å
220P28.3Very low29.7Very low128 Ų128146.8 Ų146.883%0.83182%0.822SS**  cis-112.5167.842.440.3-34.4000118.1
221R27.8Very low29.4Very low228 Ų228145.3 Ų145.386%0.8682%0.82SS**  trans-97.2129.6179.8-179.5-170.5-165.3-176.65.8109.3L219L219-R221 HydrophobicContact CD2-CB 4.2Å
222Q28.8Very low29.7Very low189 Ų189145.2 Ų145.288%0.88382%0.819SS**  trans-104.2154.3169.1-76.3-165.9-600112.3
223T24Very low30.1Very low134 Ų134142.9 Ų142.982%0.82280%0.804SS**PPolyproline II helixtrans-89.2138-169.942.90000113.1
224Q28Very low30.7Very low193 Ų193137.9 Ų137.990%0.90279%0.787SS**PPolyproline II helixtrans-86.9143.1165.2-69.5177.6-23.100110.8
225L25.8Very low31.9Very low161 Ų161139 Ų13984%0.84379%0.794SS**PPolyproline II helixtrans-99.5155.3159-11375.5000109.4
226P30Very low33.2Very low127 Ų127130.7 Ų130.783%0.82577%0.766SS**PPolyproline II helixtrans-80.4150.5-171.932.2-34.9000113.6
227K26.6Very low35.4Very low200 Ų200129.2 Ų129.287%0.8775%0.748SS**  trans-105.2142.9169-167.6175-178.7-179.90108.5
228P29.5Very low37.7Very low113 Ų113123 Ų12373%0.73471%0.71SS**PPolyproline II helixtrans-66.9155.1-171.625.3-35.8000114.1
229P32.9Very low39.8Very low128 Ų128121.3 Ų121.383%0.83170%0.695SS**PPolyproline II helixtrans-72.3150.5-179.830.9-35.9000112.7
230A33.4Very low41.8Very low97 Ų97118.4 Ų118.480%0.80268%0.68SS**PPolyproline II helixtrans-82.7163.6169.800000111.7
231A34.1Very low43.9Very low91 Ų91115.6 Ų115.675%0.75266%0.663SS**PPolyproline II helixtrans-72.3151177.900000112.3
232P36.3Very low45.9Very low119 Ų119106.6 Ų106.677%0.77364%0.641SS**PPolyproline II helixtrans-70.5150.6179.929.4-35.7000112.8
233P40.5Very low47.8Very low70 Ų7099.1 Ų99.146%0.45561%0.614SS.*PPolyproline II helixtrans-73.2161.7179.531.9-37.2000113.1
234A44.8Very low49.9Very low66 Ų6695.9 Ų95.955%0.54560%0.601SS.*PPolyproline II helixtrans-74.8149.9177.300000112.7G236A234-G236 PolarHBondContact O-N 2.99Å
235V51.2Low52.1Low159 Ų15986.8 Ų86.896%0.96456%0.558SS**THydrogen-bonded Turntrans-60.6124.3-175.1-176.30000111.6
236G60.5Low54.6Low27 Ų2781.3 Ų81.328%0.27853%0.532SS..THydrogen-bonded Turntrans976.7173.100000116.5A234 S245A234-G236 PolarHBondContact O-N 2.99Å; G236-S245 PolarHBondContact O-N 2.95Å; G236-S245 VanDerWaalsContact O-N 3.11Å; G236-S245 PolarHBondContact O-OG 2.82Å; G236-S245 VanDerWaalsContact O-OG 3.06Å
237Q72.8Confident57Low93 Ų9375.9 Ų75.944%0.43550%0.496SS..BIsolated β-bridgetrans-97.5164.9167.5-69.1179.1-21.100111.1G242 G243 S245 P256Q237-G242 WeakPolarHBondContact CB-O 3.31Å; Q237-G242 WeakPolarHBondContact CG-O 3.37Å; Q237-G243 CarbonylContact C-O 3.57Å; Q237-G243 WeakPolarHBondContact CA-O 3.41Å; Q237-S245 VanDerWaalsContact C-OG 3.26Å; Q237-S245 PolarHBondContact N-OG 3.24Å; Q237-S245 WeakPolarHBondContact O-CB 3.45Å; Q237-S245 PolarHBondContact O-OG 3.12Å; Q237-P256 VanDerWaalsContact O-CB 3.25Å; Q237-P256 WeakPolarHBondContact O-CB 3.39Å; Q237-P256 WeakPolarHBondContact O-CG 3.38Å
238C76.3Confident59.9Low4 Ų467.9 Ų67.93%0.02746%0.464CS..  trans-92.5130.3175.9169.60000110.7L240 C241 G242 G243 P256 C258C238-L240 PolarHBondContact O-N 3.26Å; C238-C241 PolarHBondContact O-N 3.39Å; C238-C241 VanDerWaalsContact SG-SG 3.67Å; C238-G242 WeakPolarHBondContact O-CA 3.36Å; C238-G242 PolarHBondContact O-N 3.02Å; C238-G243 WeakPolarHBondContact CB-O 3.37Å; C238-G243 PolarHBondContact N-O 2.84Å; C238-P256 CarbonylContact C-O 3.53Å; C238-P256 WeakPolarHBondContact CA-O 3.36Å; C238-C258 HydrophobicContact CB-CB 4.33Å
239N74.2Confident62.4Low73 Ų7362.5 Ų62.539%0.3943%0.429SS..THydrogen-bonded Turntrans-73.37.3-175.4-160.333.8000115N255 P256N239-N255 HydrophobicContact CB-CB 4.39Å; N239-N255 PolarHBondContact ND2-OD1 2.91Å; N239-P256 PolarHBondContact N-O 2.87Å
240L71.3Confident64.3Low86 Ų8659.1 Ų59.145%0.4541%0.407SS..THydrogen-bonded Turntrans-116.8-28.7175-64.3-179.2000114C238 F257 C261 Y265C238-L240 PolarHBondContact O-N 3.26Å; L240-F257 HydrophobicContact CD1-CD1 3.9Å; L240-F257 HydrophobicContact CD1-CE1 3.66Å; L240-F257 HydrophobicContact CG-CD1 4.27Å; L240-F257 HydrophobicContact CG-CE1 3.95Å; L240-C261 HydrophobicContact CB-CB 4.25Å; L240-C261 HydrophobicContact CD1-CB 4.14Å; L240-Y265 HydrophobicContact CD1-CD2 3.48Å; L240-Y265 VanDerWaalsContact CD1-CD2 3.48Å; L240-Y265 HydrophobicContact CD1-CE2 4.21Å; L240-Y265 HydrophobicContact CD1-CG 3.77Å; L240-Y265 HydrophobicContact CD2-CD2 4Å; L240-Y265 HydrophobicContact CD2-CE2 3.89Å; L240-Y265 HydrophobicContact CG-CD2 4.38Å
241C73.1Confident66.3Low70 Ų7057.8 Ų57.847%0.47339%0.391SS..THydrogen-bonded Turntrans-133.5-0.8-174.168.30000114.6C238 G243 C258C238-C241 PolarHBondContact O-N 3.39Å; C238-C241 VanDerWaalsContact SG-SG 3.67Å; C241-G243 PolarHBondContact O-N 2.87Å; C241-C258 VanDerWaalsContact SG-SG 3.69Å
242G68.9Low68.5Low39 Ų3954.2 Ų54.240%0.40236%0.361SS..SBendtrans69-15.9-176.300000115.5Q237 C238Q237-G242 WeakPolarHBondContact CB-O 3.31Å; Q237-G242 WeakPolarHBondContact CG-O 3.37Å; C238-G242 WeakPolarHBondContact O-CA 3.36Å; C238-G242 PolarHBondContact O-N 3.02Å
243G68.9Low70.3Confident31 Ų3157 Ų5732%0.3236%0.363SS..SBendtrans-62.7167.6177.300000113.5Q237 C238 C241 S245Q237-G243 CarbonylContact C-O 3.57Å; Q237-G243 WeakPolarHBondContact CA-O 3.41Å; C238-G243 WeakPolarHBondContact CB-O 3.37Å; C238-G243 PolarHBondContact N-O 2.84Å; C241-G243 PolarHBondContact O-N 2.87Å; G243-S245 PolarHBondContact O-N 2.82Å
244A69.7Low71.8Confident67 Ų6758.6 Ų58.655%0.55437%0.368SS*.BIsolated β-bridgetrans-61.7123.7-175.900000111.8C258A244-C258 WeakPolarHBondContact O-CB 3.32Å
245S73.9Confident73.3Confident1 Ų156.9 Ų56.91%0.00735%0.35CS..PPolyproline II helixtrans-81.4153.6176.546.70000112.8G236 Q237 G243 F257 I279 K281G236-S245 PolarHBondContact O-N 2.95Å; G236-S245 VanDerWaalsContact O-N 3.11Å; G236-S245 PolarHBondContact O-OG 2.82Å; G236-S245 VanDerWaalsContact O-OG 3.06Å; Q237-S245 VanDerWaalsContact C-OG 3.26Å; Q237-S245 PolarHBondContact N-OG 3.24Å; Q237-S245 WeakPolarHBondContact O-CB 3.45Å; Q237-S245 PolarHBondContact O-OG 3.12Å; G243-S245 PolarHBondContact O-N 2.82Å; S245-F257 WeakPolarHBondContact CA-O 3.42Å; S245-F257 VanDerWaalsContact CB-O 3.26Å; S245-F257 WeakPolarHBondContact CB-O 3.44Å; S245-I279 WeakPolarHBondContact OG-CD1 3.4Å; S245-K281 PolarHBondContact O-NZ 2.82Å; S245-K281 VanDerWaalsContact O-NZ 3.12Å
246T77.6Confident74.6Confident46 Ų4650.4 Ų50.428%0.28231%0.312SS..  trans-134.1-19-176.148.60000112F257 D259 K278 I279T246-F257 PolarHBondContact N-O 3.44Å; T246-D259 WeakPolarHBondContact CB-OD2 3.46Å; T246-D259 PolarHBondContact OG1-N 3.48Å; T246-D259 PolarHBondContact OG1-OD2 3.22Å; T246-K278 WeakPolarHBondContact O-CA 2.83Å; T246-I279 PolarHBondContact O-N 3.4Å
247L81.3Confident75.5Confident13 Ų1349.3 Ų49.37%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-128.7152.8-179.5-67.5163.5000110.1P256 F257 D262 R276 D277 K278L247-P256 CarbonylContact O-C 3.52Å; L247-P256 WeakPolarHBondContact O-CA 3.5Å; L247-F257 HydrophobicContact CB-CB 4.48Å; L247-F257 PolarHBondContact N-O 3.14Å; L247-F257 PolarHBondContact O-N 3.32Å; L247-D262 HydrophobicContact CD1-CB 3.77Å; L247-R276 HydrophobicContact CD2-CB 4.44Å; L247-D277 CarbonylContact C-O 3.49Å; L247-D277 WeakPolarHBondContact CA-O 3.49Å; L247-K278 HydrophobicContact CD2-CG 3.53Å
248V86.3Confident76Confident33 Ų3346 Ų4620%0.229%0.286CS..EExtended strand (participates in β ladder)trans-124.7141.7163.5152.40000108.1P250 D254 N255 P256 R276 D277 I279V248-P250 HydrophobicContact CG1-CG 4.36Å; V248-D254 HydrophobicContact CG1-CB 4.4Å; V248-D254 WeakPolarHBondContact CG1-O 3.29Å; V248-N255 WeakPolarHBondContact CA-O 3.44Å; V248-P256 HydrophobicContact CG2-CB 4Å; V248-R276 CarbonylContact O-C 3.56Å; V248-R276 WeakPolarHBondContact O-CA 3.33Å; V248-D277 PolarHBondContact N-O 3.46Å; V248-D277 PolarHBondContact O-N 2.89Å; V248-I279 HydrophobicContact CG2-CD1 3.99Å; V248-I279 HydrophobicContact CG2-CG1 4.03Å
249C82.4Confident76.1Confident0 Ų049.1 Ų49.10%030%0.302CS..EExtended strand (participates in β ladder)trans-116100.1174.41730000110.3S251 C252 D254 N255 F257 H266 R276C249-S251 PolarHBondContact O-N 3.46Å; C249-C252 HydrophobicContact CB-CB 4.3Å; C249-C252 CarbonylContact O-C 3.54Å; C249-C252 WeakPolarHBondContact O-CA 3.35Å; C249-C252 PolarHBondContact O-N 2.97Å; C249-D254 PolarHBondContact O-N 2.94Å; C249-N255 PolarHBondContact N-O 2.81Å; C249-F257 HydrophobicContact CB-CD2 4.07Å; C249-F257 HydrophobicContact CB-CE2 3.78Å; C249-H266 PolarHBondContact SG-NE2 3.33Å; C249-H266 VanDerWaalsContact SG-NE2 3.41Å; C249-R276 HydrophobicContact CB-CG 4.49Å
250P73.1Confident76.2Confident57 Ų5749 Ų4937%0.3731%0.311SS..G310 helixtrans-59.3-29.4177.8-26.436.6000113.6V248 C252 E253 D254 K275V248-P250 HydrophobicContact CG1-CG 4.36Å; P250-C252 PolarHBondContact O-N 3.24Å; P250-E253 PolarHBondContact O-N 3.1Å; P250-D254 VanDerWaalsContact CA-OD1 3.29Å; P250-D254 WeakPolarHBondContact CA-OD1 3.41Å; P250-D254 WeakPolarHBondContact CB-OD1 3.46Å; P250-K275 WeakPolarHBondContact CD-O 3.35Å
251S76.3Confident76.5Confident68 Ų6845.9 Ų45.948%0.47630%0.297SS..G310 helixtrans-69.8-3.6173.5-51.60000114.2C249C249-S251 PolarHBondContact O-N 3.46Å
252C78.8Confident77Confident17 Ų1742.8 Ų42.812%0.11528%0.275CS..G310 helixtrans-12756.1173-73.20000110.1C249 P250 D254 N255 F257 H274C249-C252 HydrophobicContact CB-CB 4.3Å; C249-C252 CarbonylContact O-C 3.54Å; C249-C252 WeakPolarHBondContact O-CA 3.35Å; C249-C252 PolarHBondContact O-N 2.97Å; P250-C252 PolarHBondContact O-N 3.24Å; C252-D254 VanDerWaalsContact C-N 3.31Å; C252-D254 PolarHBondContact O-N 3.32Å; C252-N255 WeakPolarHBondContact O-CB 3.38Å; C252-N255 VanDerWaalsContact O-CG 3.29Å; C252-N255 PolarHBondContact O-N 3.12Å; C252-N255 PolarHBondContact O-ND2 2.97Å; C252-F257 HydrophobicContact CB-CE2 4.42Å; C252-F257 HydrophobicContact CB-CZ 4.41Å; C252-H274 PolarHBondContact SG-CE1 3.2Å; C252-H274 PolarHBondContact SG-ND1 2.99Å
253E74.6Confident77.3Confident176 Ų17646 Ų4682%0.82228%0.283SS*.THydrogen-bonded Turntrans58.639.7174.3-51.5174.6162.300113P250 N255P250-E253 PolarHBondContact O-N 3.1Å; E253-N255 PolarHBondContact O-N 3.22Å
254D70.9Confident77.7Confident104 Ų10450.3 Ų50.356%0.55630%0.298SS*.THydrogen-bonded Turntrans52.222.5-173.2-71.7-54.7000114.7V248 C249 P250 C252V248-D254 HydrophobicContact CG1-CB 4.4Å; V248-D254 WeakPolarHBondContact CG1-O 3.29Å; C249-D254 PolarHBondContact O-N 2.94Å; P250-D254 VanDerWaalsContact CA-OD1 3.29Å; P250-D254 WeakPolarHBondContact CA-OD1 3.41Å; P250-D254 WeakPolarHBondContact CB-OD1 3.46Å; C252-D254 VanDerWaalsContact C-N 3.31Å; C252-D254 PolarHBondContact O-N 3.32Å
255N77.4Confident77.9Confident30 Ų3050.8 Ų50.816%0.1629%0.286CS..EExtended strand (participates in β ladder)trans-64.2137.7-173.8-84.5-63.4000112.3N239 V248 C249 C252 E253 F257N239-N255 HydrophobicContact CB-CB 4.39Å; N239-N255 PolarHBondContact ND2-OD1 2.91Å; V248-N255 WeakPolarHBondContact CA-O 3.44Å; C249-N255 PolarHBondContact N-O 2.81Å; C252-N255 WeakPolarHBondContact O-CB 3.38Å; C252-N255 VanDerWaalsContact O-CG 3.29Å; C252-N255 PolarHBondContact O-N 3.12Å; C252-N255 PolarHBondContact O-ND2 2.97Å; E253-N255 PolarHBondContact O-N 3.22Å; N255-F257 HydrophobicContact CB-CE2 3.7Å; N255-F257 HydrophobicContact CB-CZ 3.92Å; N255-F257 WeakPolarHBondContact O-CD2 3.48Å; N255-F257 WeakPolarHBondContact O-CE2 3.49Å
256P78.4Confident78.2Confident24 Ų2451 Ų5116%0.15629%0.287CS..EExtended strand (participates in β ladder)trans-83.8139.6175.832.2-35.7000112.7Q237 C238 N239 L247 V248 I279Q237-P256 VanDerWaalsContact O-CB 3.25Å; Q237-P256 WeakPolarHBondContact O-CB 3.39Å; Q237-P256 WeakPolarHBondContact O-CG 3.38Å; C238-P256 CarbonylContact C-O 3.53Å; C238-P256 WeakPolarHBondContact CA-O 3.36Å; N239-P256 PolarHBondContact N-O 2.87Å; L247-P256 CarbonylContact O-C 3.52Å; L247-P256 WeakPolarHBondContact O-CA 3.5Å; V248-P256 HydrophobicContact CG2-CB 4Å; P256-I279 HydrophobicContact CB-CD1 4.29Å
257F78.8Confident78Confident4 Ų458.5 Ų58.52%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-129150.7179.9-60.6-90.5000111.2L240 S245 T246 L247 C249 C252 N255 D262 Y265L240-F257 HydrophobicContact CD1-CD1 3.9Å; L240-F257 HydrophobicContact CD1-CE1 3.66Å; L240-F257 HydrophobicContact CG-CD1 4.27Å; L240-F257 HydrophobicContact CG-CE1 3.95Å; S245-F257 WeakPolarHBondContact CA-O 3.42Å; S245-F257 VanDerWaalsContact CB-O 3.26Å; S245-F257 WeakPolarHBondContact CB-O 3.44Å; T246-F257 PolarHBondContact N-O 3.44Å; L247-F257 HydrophobicContact CB-CB 4.48Å; L247-F257 PolarHBondContact N-O 3.14Å; L247-F257 PolarHBondContact O-N 3.32Å; C249-F257 HydrophobicContact CB-CD2 4.07Å; C249-F257 HydrophobicContact CB-CE2 3.78Å; C252-F257 HydrophobicContact CB-CE2 4.42Å; C252-F257 HydrophobicContact CB-CZ 4.41Å; N255-F257 HydrophobicContact CB-CE2 3.7Å; N255-F257 HydrophobicContact CB-CZ 3.92Å; N255-F257 WeakPolarHBondContact O-CD2 3.48Å; N255-F257 WeakPolarHBondContact O-CE2 3.49Å; F257-D262 HydrophobicContact CB-CB 3.9Å; F257-Y265 AromaticContact CE1-CD1 3.91Å; F257-Y265 HydrophobicContact CE1-CD1 3.91Å; F257-Y265 HydrophobicContact CE1-CE1 4.45Å; F257-Y265 HydrophobicContact CE1-CG 4.07Å; F257-Y265 HydrophobicContact CZ-CD1 4.04Å; F257-Y265 HydrophobicContact CZ-CE1 4.3Å
258C83.6Confident77.1Confident23 Ų2363.1 Ų63.116%0.15533%0.331CS..  trans-92.3154.7157.8690000108.8C238 C241 A244 A260 C261 D262C238-C258 HydrophobicContact CB-CB 4.33Å; C241-C258 VanDerWaalsContact SG-SG 3.69Å; A244-C258 WeakPolarHBondContact O-CB 3.32Å; C258-A260 VanDerWaalsContact C-N 3.25Å; C258-A260 PolarHBondContact O-N 3.37Å; C258-A260 VanDerWaalsContact O-N 3.1Å; C258-C261 PolarHBondContact O-N 3.12Å; C258-C261 VanDerWaalsContact SG-SG 3.65Å; C258-D262 WeakPolarHBondContact O-CB 3.34Å; C258-D262 PolarHBondContact O-N 3.47Å
259D78.9Confident75.9Confident70 Ų7066.7 Ų66.737%0.37436%0.355SS..Hα-helixtrans-55.3-37.2-168.8-51.5-103.7000113T246 D262 D263T246-D259 WeakPolarHBondContact CB-OD2 3.46Å; T246-D259 PolarHBondContact OG1-N 3.48Å; T246-D259 PolarHBondContact OG1-OD2 3.22Å; D259-D262 WeakPolarHBondContact O-CB 3.48Å; D259-D262 PolarHBondContact O-N 3.34Å; D259-D263 PolarHBondContact O-N 2.88Å
260A75.9Confident74.9Confident69 Ų6970.6 Ų70.657%0.5738%0.382SS*.Hα-helixtrans-70.1-38.4177.700000113.9C258 L264C258-A260 VanDerWaalsContact C-N 3.25Å; C258-A260 PolarHBondContact O-N 3.37Å; C258-A260 VanDerWaalsContact O-N 3.1Å; A260-L264 WeakPolarHBondContact O-CG 3.44Å; A260-L264 PolarHBondContact O-N 3.4Å
261C78.4Confident74.9Confident22 Ų2272 Ų7215%0.14938%0.38CS..Hα-helixtrans-77-27.5175.5-70.70000111.9L240 C258 Y265L240-C261 HydrophobicContact CB-CB 4.25Å; L240-C261 HydrophobicContact CD1-CB 4.14Å; C258-C261 PolarHBondContact O-N 3.12Å; C258-C261 VanDerWaalsContact SG-SG 3.65Å; C261-Y265 VanDerWaalsContact O-CB 3.32Å; C261-Y265 WeakPolarHBondContact O-CB 3.49Å; C261-Y265 PolarHBondContact O-N 3.28Å
262D83.1Confident74.6Confident5 Ų570.8 Ų70.83%0.02738%0.375CS..Hα-helixtrans-62.6-54.3172.2-172.659.6000111.6L247 F257 C258 D259 L264 Y265 H266 R276L247-D262 HydrophobicContact CD1-CB 3.77Å; F257-D262 HydrophobicContact CB-CB 3.9Å; C258-D262 WeakPolarHBondContact O-CB 3.34Å; C258-D262 PolarHBondContact O-N 3.47Å; D259-D262 WeakPolarHBondContact O-CB 3.48Å; D259-D262 PolarHBondContact O-N 3.34Å; D262-L264 PolarHBondContact O-N 3.08Å; D262-Y265 PolarHBondContact O-N 3.03Å; D262-H266 WeakPolarHBondContact O-CB 3.46Å; D262-H266 PolarHBondContact O-N 3.25Å; D262-H266 PolarHBondContact O-ND1 3Å; D262-H266 IonicContact OD1-CE1 2.72Å; D262-H266 PolarHBondContact OD1-CE1 3.42Å; D262-H266 IonicContact OD1-CG 3.59Å; D262-H266 IonicContact OD1-ND1 3.93Å; D262-H266 PolarHBondContact OD1-ND1 2.86Å; D262-R276 VanDerWaalsContact CG-CD 3.48Å; D262-R276 WeakPolarHBondContact OD1-CD 3.32Å; D262-R276 IonicContact OD1-NE 2.64Å; D262-R276 WeakPolarHBondContact OD2-CD 3.41Å; D262-R276 IonicContact OD2-CZ 3.28Å; D262-R276 IonicContact OD2-NE 2.73Å; D262-R276 PolarHBondContact OD2-NE 3.4Å; D262-R276 IonicContact OD2-NH2 2.71Å
263D75.3Confident74.2Confident106 Ų10676.5 Ų76.557%0.56740%0.404SS*.Hα-helixtrans-58.4-35.9178.3-87.2-24.5000112.2D259 R267D259-D263 PolarHBondContact O-N 2.88Å; D263-R267 WeakPolarHBondContact O-CB 3.22Å; D263-R267 PolarHBondContact O-N 2.81Å; D263-R267 VanDerWaalsContact O-N 3.11Å
264L76.1Confident74.6Confident121 Ų12170.1 Ų70.163%0.63437%0.374SS*.Hα-helixtrans-72.5-44.7176.6-72.5171.7000112.8A260 D262 R267A260-L264 WeakPolarHBondContact O-CG 3.44Å; A260-L264 PolarHBondContact O-N 3.4Å; D262-L264 PolarHBondContact O-N 3.08Å; L264-R267 WeakPolarHBondContact O-CB 3.34Å; L264-R267 PolarHBondContact O-N 3.18Å
265Y74.9Confident74.7Confident78 Ų7871.4 Ų71.431%0.30638%0.375SS..Hα-helixtrans-76.2-33.9-175.8-159.6-103.6000112.9L240 F257 C261 D262 R271L240-Y265 HydrophobicContact CD1-CD2 3.48Å; L240-Y265 VanDerWaalsContact CD1-CD2 3.48Å; L240-Y265 HydrophobicContact CD1-CE2 4.21Å; L240-Y265 HydrophobicContact CD1-CG 3.77Å; L240-Y265 HydrophobicContact CD2-CD2 4Å; L240-Y265 HydrophobicContact CD2-CE2 3.89Å; L240-Y265 HydrophobicContact CG-CD2 4.38Å; F257-Y265 AromaticContact CE1-CD1 3.91Å; F257-Y265 HydrophobicContact CE1-CD1 3.91Å; F257-Y265 HydrophobicContact CE1-CE1 4.45Å; F257-Y265 HydrophobicContact CE1-CG 4.07Å; F257-Y265 HydrophobicContact CZ-CD1 4.04Å; F257-Y265 HydrophobicContact CZ-CE1 4.3Å; C261-Y265 VanDerWaalsContact O-CB 3.32Å; C261-Y265 WeakPolarHBondContact O-CB 3.49Å; C261-Y265 PolarHBondContact O-N 3.28Å; D262-Y265 PolarHBondContact O-N 3.03Å; Y265-R271 VanDerWaalsContact CE1-NH1 3.33Å; Y265-R271 VanDerWaalsContact CE2-NH1 3.35Å; Y265-R271 WeakPolarHBondContact O-CD 3.36Å; Y265-R271 PolarHBondContact OH-NH1 2.99Å
266H79.6Confident75Confident4 Ų474.2 Ų74.22%0.01938%0.383CS..THydrogen-bonded Turntrans-89.2-2175.3-61.9104.8000113C249 D262 H268 R271 A272 H274C249-H266 PolarHBondContact SG-NE2 3.33Å; C249-H266 VanDerWaalsContact SG-NE2 3.41Å; D262-H266 WeakPolarHBondContact O-CB 3.46Å; D262-H266 PolarHBondContact O-N 3.25Å; D262-H266 PolarHBondContact O-ND1 3Å; D262-H266 IonicContact OD1-CE1 2.72Å; D262-H266 PolarHBondContact OD1-CE1 3.42Å; D262-H266 IonicContact OD1-CG 3.59Å; D262-H266 IonicContact OD1-ND1 3.93Å; D262-H266 PolarHBondContact OD1-ND1 2.86Å; H266-H268 PolarHBondContact O-N 3.37Å; H266-H268 VanDerWaalsContact O-N 3.17Å; H266-R271 PolarHBondContact CD2-O 2.72Å; H266-A272 WeakPolarHBondContact O-CA 2.87Å; H266-A272 WeakPolarHBondContact O-CB 3.21Å; H266-A272 PolarHBondContact O-N 3.15Å; H266-A272 VanDerWaalsContact O-N 3.17Å; H266-H274 AromaticContact CD2-CG 3.87Å; H266-H274 AromaticContact CD2-ND1 3.59Å; H266-H274 AromaticContact NE2-ND1 3.47Å; H266-H274 PolarHBondContact NE2-ND1 2.79Å
267R73.2Confident74.7Confident205 Ų20576 Ų7677%0.77439%0.392SS*.THydrogen-bonded Turntrans-60.4-23.6171.8-136.7176178.51800.3114.1D263 L264D263-R267 WeakPolarHBondContact O-CB 3.22Å; D263-R267 PolarHBondContact O-N 2.81Å; D263-R267 VanDerWaalsContact O-N 3.11Å; L264-R267 WeakPolarHBondContact O-CB 3.34Å; L264-R267 PolarHBondContact O-N 3.18Å
268H63.1Low74.6Confident110 Ų11083.3 Ų83.351%0.50942%0.423SS..SBendtrans-72.9136.1-178.2-166.7-99000111.3H266 S270 R271 A272H266-H268 PolarHBondContact O-N 3.37Å; H266-H268 VanDerWaalsContact O-N 3.17Å; H268-S270 PolarHBondContact CE1-OG 3.33Å; H268-S270 PolarHBondContact ND1-OG 3.41Å; H268-S270 PolarHBondContact O-N 3.23Å; H268-S270 VanDerWaalsContact O-N 3.07Å; H268-R271 PolarHBondContact O-N 2.84Å; H268-A272 PolarHBondContact O-N 2.9Å
269P60.3Low73.9Confident107 Ų10784.9 Ų84.970%0.69543%0.43SS*.THydrogen-bonded Turntrans-55.9-31.6-174.2-29.636.2000115.5R271P269-R271 PolarHBondContact O-N 3.49Å
270S61.9Low72.3Confident83 Ų8390.5 Ų90.558%0.5845%0.453SS*.THydrogen-bonded Turntrans-76.8-3.4176.265.10000114.9H268H268-S270 PolarHBondContact CE1-OG 3.33Å; H268-S270 PolarHBondContact ND1-OG 3.41Å; H268-S270 PolarHBondContact O-N 3.23Å; H268-S270 VanDerWaalsContact O-N 3.07Å
271R73.9Confident70.6Confident85 Ų8593.1 Ų93.132%0.32145%0.452SS..THydrogen-bonded Turntrans-127.3-21.4-176.2-65.9-174.7178.8160.1-3.1113.8Y265 H266 H268 P269 N273 H274Y265-R271 VanDerWaalsContact CE1-NH1 3.33Å; Y265-R271 VanDerWaalsContact CE2-NH1 3.35Å; Y265-R271 WeakPolarHBondContact O-CD 3.36Å; Y265-R271 PolarHBondContact OH-NH1 2.99Å; H266-R271 PolarHBondContact CD2-O 2.72Å; H268-R271 PolarHBondContact O-N 2.84Å; P269-R271 PolarHBondContact O-N 3.49Å; R271-N273 PolarHBondContact O-N 3.44Å; R271-H274 VanDerWaalsContact O-CB 3.25Å; R271-H274 WeakPolarHBondContact O-CB 3.34Å; R271-H274 PolarHBondContact O-CD2 2.87Å; R271-H274 PolarHBondContact O-N 3.47Å
272A68.9Low68.5Low44 Ų4498.8 Ų98.836%0.36449%0.486SS..THydrogen-bonded Turntrans-51.1-34.8-177.800000115H266 H268 H274 R276H266-A272 WeakPolarHBondContact O-CA 2.87Å; H266-A272 WeakPolarHBondContact O-CB 3.21Å; H266-A272 PolarHBondContact O-N 3.15Å; H266-A272 VanDerWaalsContact O-N 3.17Å; H268-A272 PolarHBondContact O-N 2.9Å; A272-H274 VanDerWaalsContact C-N 3.31Å; A272-H274 PolarHBondContact O-N 3.03Å; A272-R276 PolarHBondContact O-NH1 3.21Å
273N71.5Confident66.4Low136 Ų136107.3 Ų107.373%0.72753%0.526SS*.THydrogen-bonded Turntrans-84.14.4-178.7-62.8-32.7000114.3R271R271-N273 PolarHBondContact O-N 3.44Å
274H81.9Confident64.8Low43 Ų43108.2 Ų108.220%0.19954%0.535CS..  trans-66.1140.2176.6-71.6-171.3000111.8C252 H266 R271 A272 R276C252-H274 PolarHBondContact SG-CE1 3.2Å; C252-H274 PolarHBondContact SG-ND1 2.99Å; H266-H274 AromaticContact CD2-CG 3.87Å; H266-H274 AromaticContact CD2-ND1 3.59Å; H266-H274 AromaticContact NE2-ND1 3.47Å; H266-H274 PolarHBondContact NE2-ND1 2.79Å; R271-H274 VanDerWaalsContact O-CB 3.25Å; R271-H274 WeakPolarHBondContact O-CB 3.34Å; R271-H274 PolarHBondContact O-CD2 2.87Å; R271-H274 PolarHBondContact O-N 3.47Å; A272-H274 VanDerWaalsContact C-N 3.31Å; A272-H274 PolarHBondContact O-N 3.03Å; H274-R276 WeakPolarHBondContact O-CG 3.3Å; H274-R276 PolarHBondContact O-NH1 3.04Å
275K72.7Confident64Low131 Ų131107.6 Ų107.657%0.5753%0.529SS*.  trans-78.5137.2177179.7170.9178.3-77.70110.5P250 D277P250-K275 WeakPolarHBondContact CD-O 3.35Å; K275-D277 IonicContact NZ-OD1 3.78Å; K275-D277 PolarHBondContact NZ-OD1 3.48Å; K275-D277 IonicContact NZ-OD2 3.92Å; K275-D277 PolarHBondContact NZ-OD2 3.21Å
276R83.9Confident64.1Low88 Ų88107.8 Ų107.833%0.33254%0.536SS..  trans-134.2121.6-170.7-46.3-163.1-76.8-83.420.2109.9L247 V248 C249 D262 A272 H274L247-R276 HydrophobicContact CD2-CB 4.44Å; V248-R276 CarbonylContact O-C 3.56Å; V248-R276 WeakPolarHBondContact O-CA 3.33Å; C249-R276 HydrophobicContact CB-CG 4.49Å; D262-R276 VanDerWaalsContact CG-CD 3.48Å; D262-R276 WeakPolarHBondContact OD1-CD 3.32Å; D262-R276 IonicContact OD1-NE 2.64Å; D262-R276 WeakPolarHBondContact OD2-CD 3.41Å; D262-R276 IonicContact OD2-CZ 3.28Å; D262-R276 IonicContact OD2-NE 2.73Å; D262-R276 PolarHBondContact OD2-NE 3.4Å; D262-R276 IonicContact OD2-NH2 2.71Å; A272-R276 PolarHBondContact O-NH1 3.21Å; H274-R276 WeakPolarHBondContact O-CG 3.3Å; H274-R276 PolarHBondContact O-NH1 3.04Å
277D73.9Confident63.9Low63 Ų63107.7 Ų107.734%0.33754%0.535SS..EExtended strand (participates in β ladder)trans-114.1136.9-172.1-68.3-68.3000110.5L247 V248 K275L247-D277 CarbonylContact C-O 3.49Å; L247-D277 WeakPolarHBondContact CA-O 3.49Å; V248-D277 PolarHBondContact N-O 3.46Å; V248-D277 PolarHBondContact O-N 2.89Å; K275-D277 IonicContact NZ-OD1 3.78Å; K275-D277 PolarHBondContact NZ-OD1 3.48Å; K275-D277 IonicContact NZ-OD2 3.92Å; K275-D277 PolarHBondContact NZ-OD2 3.21Å
278K76Confident63.7Low157 Ų157101.6 Ų101.668%0.68352%0.524SS*.EExtended strand (participates in β ladder)trans-80.5129.4-175.2-79.4-170.1171.6-165.50112.8T246 L247 Q280T246-K278 WeakPolarHBondContact O-CA 2.83Å; L247-K278 HydrophobicContact CD2-CG 3.53Å; K278-Q280 PolarHBondContact O-N 3.11Å
279I68.9Low64.1Low56 Ų56100.5 Ų100.529%0.28752%0.521SS..  trans-72.9110.8173.9-52.3175.9000108.4S245 T246 V248 P256 K281S245-I279 WeakPolarHBondContact OG-CD1 3.4Å; T246-I279 PolarHBondContact O-N 3.4Å; V248-I279 HydrophobicContact CG2-CD1 3.99Å; V248-I279 HydrophobicContact CG2-CG1 4.03Å; P256-I279 HydrophobicContact CB-CD1 4.29Å; I279-K281 PolarHBondContact O-N 3.12Å
280Q45.4Very low64.3Low187 Ų18797.4 Ų97.487%0.87450%0.502SS*.PPolyproline II helixtrans-76.2116.9177.1-63.2-172.910.700110.8K278K278-Q280 PolarHBondContact O-N 3.11Å
281K39.3Very low64Low124 Ų12495.7 Ų95.754%0.53950%0.496SS..PPolyproline II helixtrans-99.5117.2168.6-74.6176.2176161.80109.5S245 I279 Q283S245-K281 PolarHBondContact O-NZ 2.82Å; S245-K281 VanDerWaalsContact O-NZ 3.12Å; I279-K281 PolarHBondContact O-N 3.12Å; K281-Q283 PolarHBondContact O-N 3.08Å
282T35.3Very low63.4Low141 Ų14198.8 Ų98.887%0.86552%0.518SS*.PPolyproline II helixtrans-70.1120168.835.20000109.8
283Q38.5Very low63.4Low185 Ų18599.2 Ų99.286%0.86452%0.518SS*.PPolyproline II helixtrans-80.1128.4174.5-70.4-179.2-19.700110.4K281K281-Q283 PolarHBondContact O-N 3.08Å
284T41.3Very low63.3Low124 Ų12496.3 Ų96.376%0.76151%0.508SS*.PPolyproline II helixtrans-90.1131.5166.948.60000110
285E59.2Low62.7Low109 Ų10995.4 Ų95.451%0.50951%0.506SS..PPolyproline II helixtrans-90.7133.7-174.9-58.6176.7109.700112V295 R305E285-V295 HydrophobicContact CB-CG2 4.26Å; E285-V295 PolarHBondContact O-N 2.8Å; E285-R305 IonicContact OE1-CZ 2.94Å; E285-R305 IonicContact OE1-NH1 3.22Å; E285-R305 PolarHBondContact OE1-NH1 2.87Å; E285-R305 IonicContact OE1-NH2 2.67Å; E285-R305 IonicContact OE2-CZ 2.78Å; E285-R305 VanDerWaalsContact OE2-CZ 3.29Å; E285-R305 IonicContact OE2-NH1 3.78Å; E285-R305 PolarHBondContact OE2-NH1 3.34Å; E285-R305 IonicContact OE2-NH2 3.96Å; E285-R305 PolarHBondContact OE2-NH2 3.18Å
286N76.6Confident62.8Low82 Ų8290.2 Ų90.244%0.43949%0.486SS..BIsolated β-bridgetrans-100.2154.5-177-704.4000112.9S288 G291 V295N286-S288 PolarHBondContact O-N 3.09Å; N286-G291 VanDerWaalsContact CB-O 3.31Å; N286-G291 WeakPolarHBondContact CB-O 3.43Å; N286-G291 PolarHBondContact ND2-O 3.48Å; N286-V295 WeakPolarHBondContact O-CG2 3.1Å
287C76.2Confident62.5Low2 Ų286.9 Ų86.91%0.01448%0.475CS..PPolyproline II helixtrans-62.6124.5-176.61690000112.7I289 C290 G291 S293 R305 L306 C307C287-I289 PolarHBondContact O-N 2.99Å; C287-C290 PolarHBondContact O-N 3.43Å; C287-C290 VanDerWaalsContact SG-SG 3.61Å; C287-G291 PolarHBondContact O-N 3.14Å; C287-S293 WeakPolarHBondContact CB-O 3.4Å; C287-S293 PolarHBondContact N-O 3.29Å; C287-R305 WeakPolarHBondContact CA-O 3.3Å; C287-L306 VanDerWaalsContact SG-CA 3.6Å; C287-C307 HydrophobicContact CB-CB 3.99Å; C287-C307 PolarHBondContact SG-N 2.84Å
288S70Confident63Low76 Ų7686.9 Ų86.953%0.53147%0.473SS..THydrogen-bonded Turntrans-62.2-12.5-174.8-47.80000116N286 R305N286-S288 PolarHBondContact O-N 3.09Å; S288-R305 PolarHBondContact N-O 3.5Å; S288-R305 PolarHBondContact OG-O 3.23Å; S288-R305 VanDerWaalsContact OG-O 3.11Å
289I69.8Low63.2Low87 Ų8779.5 Ų79.545%0.44644%0.441SS..THydrogen-bonded Turntrans-101.9-36177.9-72.6174.5000113.3C287 L306 C310 F314C287-I289 PolarHBondContact O-N 2.99Å; I289-L306 HydrophobicContact CB-CD2 4Å; I289-L306 HydrophobicContact CD1-CD1 3.91Å; I289-L306 HydrophobicContact CD1-CD2 3.54Å; I289-L306 HydrophobicContact CD1-CG 4.4Å; I289-L306 HydrophobicContact CG1-CD2 3.56Å; I289-C310 HydrophobicContact CB-CB 4.23Å; I289-C310 HydrophobicContact CG2-CB 4.37Å; I289-F314 HydrophobicContact CD1-CB 4.12Å; I289-F314 HydrophobicContact CD1-CD2 3.51Å; I289-F314 HydrophobicContact CD1-CE2 4.03Å; I289-F314 HydrophobicContact CD1-CG 3.95Å
290C65.9Low63.4Low43 Ų4380.2 Ų80.229%0.29145%0.451SS..THydrogen-bonded Turntrans-112.4-10.9-174.271.20000114.5C287 I292C287-C290 PolarHBondContact O-N 3.43Å; C287-C290 VanDerWaalsContact SG-SG 3.61Å; C290-I292 WeakPolarHBondContact O-CG1 3.34Å; C290-I292 PolarHBondContact O-N 2.81Å
291G55.8Low64.8Low46 Ų4675.3 Ų75.347%0.47443%0.434SS..SBendtrans66.1-21.3179.100000116.6N286 C287N286-G291 VanDerWaalsContact CB-O 3.31Å; N286-G291 WeakPolarHBondContact CB-O 3.43Å; N286-G291 PolarHBondContact ND2-O 3.48Å; C287-G291 PolarHBondContact O-N 3.14Å
292I61.2Low66.6Low151 Ų15170.8 Ų70.877%0.77442%0.418SS*.SBendtrans-103.5-38-165.1-62.3156.4000112.5C290C290-I292 WeakPolarHBondContact O-CG1 3.34Å; C290-I292 PolarHBondContact O-N 2.81Å
293S67.3Low68.5Low52 Ų5270.5 Ų70.536%0.36441%0.409SS..SBendtrans-88.1145.4179-49.80000111.2C287C287-S293 WeakPolarHBondContact CB-O 3.4Å; C287-S293 PolarHBondContact N-O 3.29Å
294S70.8Confident70.3Confident75 Ų7564.7 Ų64.752%0.52438%0.382SS..BIsolated β-bridgetrans-63.7151.1173.452.10000112.7S296 C307S294-S296 PolarHBondContact O-N 3.32Å; S294-C307 VanDerWaalsContact O-CB 3.3Å; S294-C307 WeakPolarHBondContact O-CB 3.49Å
295V68.6Low72.2Confident25 Ų2561.8 Ų61.815%0.15236%0.357CS..PPolyproline II helixtrans-63.8131.7174.4177.60000110E285 N286 R305 L328E285-V295 HydrophobicContact CB-CG2 4.26Å; E285-V295 PolarHBondContact O-N 2.8Å; N286-V295 WeakPolarHBondContact O-CG2 3.1Å; V295-R305 HydrophobicContact CG1-CB 3.85Å; V295-R305 HydrophobicContact CG2-CB 4.02Å; V295-L328 HydrophobicContact CG1-CD1 3.51Å
296S75.3Confident73.2Confident22 Ų2256.7 Ų56.715%0.15433%0.333CS..  trans-120.6-33.1176.6-35.50000112.8S294 L306 L308 N327 L328S294-S296 PolarHBondContact O-N 3.32Å; S296-L306 PolarHBondContact N-O 3.08Å; S296-L308 PolarHBondContact OG-N 3.2Å; S296-N327 PolarHBondContact O-OD1 2.99Å; S296-L328 PolarHBondContact O-N 3.33Å
297I77.5Confident73.5Confident18 Ų1853.2 Ų53.29%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-130.6139-175.9-66175.1000109.2L306 L308 D311 R325 T326I297-L306 PolarHBondContact N-O 3.39Å; I297-L306 PolarHBondContact O-N 2.8Å; I297-L308 HydrophobicContact CD1-CD2 3.75Å; I297-L308 HydrophobicContact CD1-CG 4.35Å; I297-L308 HydrophobicContact CG1-CD2 4.43Å; I297-D311 HydrophobicContact CB-CB 4.22Å; I297-D311 HydrophobicContact CD1-CB 3.95Å; I297-D311 HydrophobicContact CG2-CB 4.34Å; I297-R325 HydrophobicContact CG2-CB 4Å; I297-R325 HydrophobicContact CG2-CG 4.3Å; I297-T326 WeakPolarHBondContact CA-O 3.32Å
298Q84.4Confident73.5Confident63 Ų6357.2 Ų57.229%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-116.1126.6169.3179161.8-1.900110.3Q304 R305 R325 T326 L328Q298-Q304 WeakPolarHBondContact CA-O 3.46Å; Q298-R305 HydrophobicContact CB-CG 4.28Å; Q298-R305 HydrophobicContact CG-CG 3.89Å; Q298-R305 VanDerWaalsContact OE1-NE 3.12Å; Q298-R325 WeakPolarHBondContact O-CA 3.28Å; Q298-T326 PolarHBondContact N-O 2.85Å; Q298-T326 PolarHBondContact O-N 3.28Å; Q298-L328 HydrophobicContact CB-CD1 3.89Å; Q298-L328 HydrophobicContact CB-CG 4.29Å
299C79.9Confident73.8Confident1 Ų159.2 Ų59.21%0.00734%0.341CS..EExtended strand (participates in β ladder)trans-86.7112172.4173.40000108.6C302 I303 Q304 H315 R325C299-C302 HydrophobicContact CB-CB 4.4Å; C299-C302 WeakPolarHBondContact CB-SG 3.33Å; C299-C302 VanDerWaalsContact SG-CA 3.59Å; C299-C302 WeakPolarHBondContact SG-CB 3.38Å; C299-C302 PolarHBondContact SG-N 2.7Å; C299-C302 CovalentContact SG-SG 2.05Å; C299-C302 PolarHBondContact SG-SG 2.84Å; C299-I303 WeakPolarHBondContact O-CA 3.36Å; C299-I303 PolarHBondContact O-N 2.8Å; C299-Q304 PolarHBondContact N-O 3.27Å; C299-H315 PolarHBondContact SG-NE2 3.49Å; C299-R325 HydrophobicContact CB-CG 4.38Å
300S72.7Confident74.2Confident72 Ų7255.9 Ų55.950%0.50333%0.325SS..THydrogen-bonded Turntrans-74.4-32.3177.657.40000111.9C302 S324S300-C302 VanDerWaalsContact C-N 3.29Å; S300-C302 PolarHBondContact O-N 3Å; S300-S324 PolarHBondContact N-O 3.49Å; S300-S324 WeakPolarHBondContact OG-CB 3.17Å; S300-S324 PolarHBondContact OG-O 2.78Å
301T75Confident75Confident83 Ų8354 Ų5451%0.50931%0.312SS..THydrogen-bonded Turntrans-67.4-25.6177.9-45.80000113.7S324T301-S324 PolarHBondContact OG1-N 2.99Å
302C76.5Confident76.1Confident30 Ų3061 Ų6120%0.20333%0.325CS..THydrogen-bonded Turntrans-131.14.4-172.969.20000114.5C299 S300 Q304 H315C299-C302 HydrophobicContact CB-CB 4.4Å; C299-C302 WeakPolarHBondContact CB-SG 3.33Å; C299-C302 VanDerWaalsContact SG-CA 3.59Å; C299-C302 WeakPolarHBondContact SG-CB 3.38Å; C299-C302 PolarHBondContact SG-N 2.7Å; C299-C302 CovalentContact SG-SG 2.05Å; C299-C302 PolarHBondContact SG-SG 2.84Å; S300-C302 VanDerWaalsContact C-N 3.29Å; S300-C302 PolarHBondContact O-N 3Å; C302-Q304 PolarHBondContact O-N 3.42Å; C302-H315 PolarHBondContact SG-NE2 2.71Å
303I75.6Confident76.8Confident135 Ų13560 Ų6069%0.69232%0.32SS*.  trans61.90.5174-41.5-178.9000114.3C299C299-I303 WeakPolarHBondContact O-CA 3.36Å; C299-I303 PolarHBondContact O-N 2.8Å
304Q76.7Confident77.2Confident63 Ų6360.4 Ų60.429%0.29432%0.315SS..  trans-72.4140.3179.7-64.3-54.1-47.200113.1Q298 C299 C302 L306 F314Q298-Q304 WeakPolarHBondContact CA-O 3.46Å; C299-Q304 PolarHBondContact N-O 3.27Å; C302-Q304 PolarHBondContact O-N 3.42Å; Q304-L306 HydrophobicContact CB-CD1 4.13Å; Q304-L306 HydrophobicContact CB-CD2 4.24Å; Q304-L306 HydrophobicContact CB-CG 4.01Å; Q304-F314 HydrophobicContact CG-CE1 3.86Å; Q304-F314 HydrophobicContact CG-CZ 3.99Å
305R81.9Confident77.5Confident63 Ų6357.1 Ų57.124%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-121.5101.6-178.5-63.8-17477.8-145.6-4.8109.2E285 C287 S288 V295 Q298E285-R305 IonicContact OE1-CZ 2.94Å; E285-R305 IonicContact OE1-NH1 3.22Å; E285-R305 PolarHBondContact OE1-NH1 2.87Å; E285-R305 IonicContact OE1-NH2 2.67Å; E285-R305 IonicContact OE2-CZ 2.78Å; E285-R305 VanDerWaalsContact OE2-CZ 3.29Å; E285-R305 IonicContact OE2-NH1 3.78Å; E285-R305 PolarHBondContact OE2-NH1 3.34Å; E285-R305 IonicContact OE2-NH2 3.96Å; E285-R305 PolarHBondContact OE2-NH2 3.18Å; C287-R305 WeakPolarHBondContact CA-O 3.3Å; S288-R305 PolarHBondContact N-O 3.5Å; S288-R305 PolarHBondContact OG-O 3.23Å; S288-R305 VanDerWaalsContact OG-O 3.11Å; V295-R305 HydrophobicContact CG1-CB 3.85Å; V295-R305 HydrophobicContact CG2-CB 4.02Å; Q298-R305 HydrophobicContact CB-CG 4.28Å; Q298-R305 HydrophobicContact CG-CG 3.89Å; Q298-R305 VanDerWaalsContact OE1-NE 3.12Å
306L79.6Confident77.6Confident1 Ų159.7 Ų59.71%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-123.8153.7-160.9-56.7-179.3000112C287 I289 S296 I297 Q304 C310 D311 F314C287-L306 VanDerWaalsContact SG-CA 3.6Å; I289-L306 HydrophobicContact CB-CD2 4Å; I289-L306 HydrophobicContact CD1-CD1 3.91Å; I289-L306 HydrophobicContact CD1-CD2 3.54Å; I289-L306 HydrophobicContact CD1-CG 4.4Å; I289-L306 HydrophobicContact CG1-CD2 3.56Å; S296-L306 PolarHBondContact N-O 3.08Å; I297-L306 PolarHBondContact N-O 3.39Å; I297-L306 PolarHBondContact O-N 2.8Å; Q304-L306 HydrophobicContact CB-CD1 4.13Å; Q304-L306 HydrophobicContact CB-CD2 4.24Å; Q304-L306 HydrophobicContact CB-CG 4.01Å; L306-C310 HydrophobicContact CB-CB 4.15Å; L306-C310 HydrophobicContact CD2-CB 4.4Å; L306-D311 HydrophobicContact CB-CB 4.18Å; L306-D311 HydrophobicContact CD1-CB 4.44Å; L306-F314 HydrophobicContact CD1-CB 3.98Å; L306-F314 HydrophobicContact CD1-CD1 4.23Å; L306-F314 HydrophobicContact CD1-CG 4.22Å
307C82.2Confident77.1Confident9 Ų963.4 Ų63.46%0.06133%0.325CS..  trans-73.5159.3162.7740000110.3C287 S294 N309 C310 D311C287-C307 HydrophobicContact CB-CB 3.99Å; C287-C307 PolarHBondContact SG-N 2.84Å; S294-C307 VanDerWaalsContact O-CB 3.3Å; S294-C307 WeakPolarHBondContact O-CB 3.49Å; C307-N309 PolarHBondContact O-N 2.92Å; C307-C310 PolarHBondContact O-N 3.22Å; C307-C310 VanDerWaalsContact O-N 3.1Å; C307-C310 VanDerWaalsContact SG-SG 3.61Å; C307-D311 PolarHBondContact O-N 3.09Å
308L77.6Confident76.5Confident86 Ų8667 Ų6745%0.4535%0.35SS..Hα-helixtrans-48.9-36.5-177.7-83.3148.9000114.8S296 I297 R312S296-L308 PolarHBondContact OG-N 3.2Å; I297-L308 HydrophobicContact CD1-CD2 3.75Å; I297-L308 HydrophobicContact CD1-CG 4.35Å; I297-L308 HydrophobicContact CG1-CD2 4.43Å; L308-R312 WeakPolarHBondContact O-CG 3.44Å; L308-R312 PolarHBondContact O-N 3.19Å
309N74.8Confident75.5Confident118 Ų11870 Ų7063%0.63137%0.368SS*.Hα-helixtrans-76.3-44.4-179.7-68.1-11.3000112.1C307 D311 R312 L313C307-N309 PolarHBondContact O-N 2.92Å; N309-D311 VanDerWaalsContact C-N 3.33Å; N309-D311 PolarHBondContact O-N 2.85Å; N309-R312 PolarHBondContact O-N 2.92Å; N309-L313 WeakPolarHBondContact O-CG 3.27Å; N309-L313 PolarHBondContact O-N 3.37Å
310C78.6Confident75.1Confident17 Ų1774.7 Ų74.712%0.11539%0.385CS..Hα-helixtrans-65.8-36.7176.5-68.30000111.6I289 L306 C307 L313 F314I289-C310 HydrophobicContact CB-CB 4.23Å; I289-C310 HydrophobicContact CG2-CB 4.37Å; L306-C310 HydrophobicContact CB-CB 4.15Å; L306-C310 HydrophobicContact CD2-CB 4.4Å; C307-C310 PolarHBondContact O-N 3.22Å; C307-C310 VanDerWaalsContact O-N 3.1Å; C307-C310 VanDerWaalsContact SG-SG 3.61Å; C310-L313 PolarHBondContact O-N 2.98Å; C310-F314 VanDerWaalsContact O-CB 3.24Å; C310-F314 WeakPolarHBondContact O-CB 3.38Å; C310-F314 PolarHBondContact O-N 3.21Å
311D83.1Confident74.8Confident4 Ų480 Ų802%0.02139%0.394CS..Hα-helixtrans-61.2-48174.3-178.171.5000112.3I297 L306 C307 N309 L313 F314 H315 R325I297-D311 HydrophobicContact CB-CB 4.22Å; I297-D311 HydrophobicContact CD1-CB 3.95Å; I297-D311 HydrophobicContact CG2-CB 4.34Å; L306-D311 HydrophobicContact CB-CB 4.18Å; L306-D311 HydrophobicContact CD1-CB 4.44Å; C307-D311 PolarHBondContact O-N 3.09Å; N309-D311 VanDerWaalsContact C-N 3.33Å; N309-D311 PolarHBondContact O-N 2.85Å; D311-L313 VanDerWaalsContact C-N 3.29Å; D311-L313 PolarHBondContact O-N 2.91Å; D311-F314 PolarHBondContact O-N 3.01Å; D311-H315 WeakPolarHBondContact O-CB 3.43Å; D311-H315 PolarHBondContact O-N 2.91Å; D311-H315 PolarHBondContact O-ND1 3.27Å; D311-H315 IonicContact OD1-CE1 2.67Å; D311-H315 PolarHBondContact OD1-CE1 3.37Å; D311-H315 VanDerWaalsContact OD1-CE1 3.31Å; D311-H315 IonicContact OD1-CG 2.76Å; D311-H315 IonicContact OD1-ND1 3.45Å; D311-H315 PolarHBondContact OD1-ND1 2.74Å; D311-R325 WeakPolarHBondContact OD1-CD 3.34Å; D311-R325 WeakPolarHBondContact OD2-CD 3.22Å; D311-R325 IonicContact OD2-CZ 2.71Å; D311-R325 IonicContact OD2-NH1 2.73Å; D311-R325 PolarHBondContact OD2-NH1 2.7Å
312R78.8Confident74.5Confident194 Ų19479.7 Ų79.773%0.73241%0.408SS*.Hα-helixtrans-58.2-40.2178-83.2-175.9170.5-159.8-0.9112.6L308 N309 S316L308-R312 WeakPolarHBondContact O-CG 3.44Å; L308-R312 PolarHBondContact O-N 3.19Å; N309-R312 PolarHBondContact O-N 2.92Å; R312-S316 PolarHBondContact O-N 2.91Å
313L76.6Confident74.8Confident128 Ų12880 Ų8067%0.6741%0.406SS*.Hα-helixtrans-72.4-49178.5-66.8171000111.3N309 C310 D311 H315 S316N309-L313 WeakPolarHBondContact O-CG 3.27Å; N309-L313 PolarHBondContact O-N 3.37Å; C310-L313 PolarHBondContact O-N 2.98Å; D311-L313 VanDerWaalsContact C-N 3.29Å; D311-L313 PolarHBondContact O-N 2.91Å; L313-H315 VanDerWaalsContact C-N 3.35Å; L313-H315 PolarHBondContact O-N 3.29Å; L313-S316 WeakPolarHBondContact O-CB 3.47Å; L313-S316 PolarHBondContact O-N 3.4Å; L313-S316 PolarHBondContact O-OG 2.99Å
314F75.2Confident74.6Confident61 Ų6176.9 Ų76.927%0.26840%0.397SS..Hα-helixtrans-67.2-32.1-176.9-165.9-100.8000113.5I289 Q304 L306 C310 D311I289-F314 HydrophobicContact CD1-CB 4.12Å; I289-F314 HydrophobicContact CD1-CD2 3.51Å; I289-F314 HydrophobicContact CD1-CE2 4.03Å; I289-F314 HydrophobicContact CD1-CG 3.95Å; Q304-F314 HydrophobicContact CG-CE1 3.86Å; Q304-F314 HydrophobicContact CG-CZ 3.99Å; L306-F314 HydrophobicContact CD1-CB 3.98Å; L306-F314 HydrophobicContact CD1-CD1 4.23Å; L306-F314 HydrophobicContact CD1-CG 4.22Å; C310-F314 VanDerWaalsContact O-CB 3.24Å; C310-F314 WeakPolarHBondContact O-CB 3.38Å; C310-F314 PolarHBondContact O-N 3.21Å; D311-F314 PolarHBondContact O-N 3.01Å
315H77.6Confident75Confident6 Ų678.7 Ų78.73%0.02840%0.401CS..THydrogen-bonded Turntrans-99.217.6176.8-63.1105000113.9C299 C302 D311 L313 R320 H323C299-H315 PolarHBondContact SG-NE2 3.49Å; C302-H315 PolarHBondContact SG-NE2 2.71Å; D311-H315 WeakPolarHBondContact O-CB 3.43Å; D311-H315 PolarHBondContact O-N 2.91Å; D311-H315 PolarHBondContact O-ND1 3.27Å; D311-H315 IonicContact OD1-CE1 2.67Å; D311-H315 PolarHBondContact OD1-CE1 3.37Å; D311-H315 VanDerWaalsContact OD1-CE1 3.31Å; D311-H315 IonicContact OD1-CG 2.76Å; D311-H315 IonicContact OD1-ND1 3.45Å; D311-H315 PolarHBondContact OD1-ND1 2.74Å; L313-H315 VanDerWaalsContact C-N 3.35Å; L313-H315 PolarHBondContact O-N 3.29Å; H315-R320 PolarHBondContact CD2-O 2.75Å; H315-H323 AromaticContact CD2-CG 3.83Å; H315-H323 AromaticContact CD2-ND1 3.32Å; H315-H323 PolarHBondContact CD2-ND1 2.91Å; H315-H323 VanDerWaalsContact CD2-ND1 3.32Å; H315-H323 AromaticContact NE2-CG 3.88Å; H315-H323 AromaticContact NE2-ND1 3.11Å; H315-H323 PolarHBondContact NE2-ND1 3.01Å; H315-H323 VanDerWaalsContact NE2-ND1 3.11Å
316S70.3Confident74.5Confident79 Ų7979.1 Ų79.155%0.55241%0.41SS*.  trans-75-27.9168.967.30000112.9R312 L313R312-S316 PolarHBondContact O-N 2.91Å; L313-S316 WeakPolarHBondContact O-CB 3.47Å; L313-S316 PolarHBondContact O-N 3.4Å; L313-S316 PolarHBondContact O-OG 2.99Å
317H64.4Low74.1Confident100 Ų10082 Ų8246%0.46343%0.426SS..SBendtrans-64.4136.8-178.2-157.8-96.6000111.6D319 R320 R321H317-D319 IonicContact CE1-OD2 3.45Å; H317-D319 PolarHBondContact CE1-OD2 2.88Å; H317-D319 IonicContact ND1-OD2 2.75Å; H317-D319 PolarHBondContact ND1-OD2 3.24Å; H317-D319 PolarHBondContact O-N 2.79Å; H317-R320 HydrophobicContact CB-CB 4.39Å; H317-R320 HydrophobicContact CB-CG 4.36Å; H317-R320 CarbonylContact O-C 3.59Å; H317-R320 PolarHBondContact O-N 2.93Å; H317-R321 PolarHBondContact O-N 3.11Å
318P64.4Low73.2Confident93 Ų9383.9 Ų83.960%0.60444%0.435SS*.Hα-helixtrans-48.2-53.9-175.6-30.836.3000114.2R320 R321P318-R320 PolarHBondContact O-N 3.4Å; P318-R320 VanDerWaalsContact O-N 3.12Å; P318-R321 VanDerWaalsContact O-CB 3.3Å; P318-R321 WeakPolarHBondContact O-CB 3.35Å; P318-R321 PolarHBondContact O-N 2.89Å; P318-R321 VanDerWaalsContact O-N 3.13Å
319D65.3Low72Confident126 Ų12683.7 Ų83.767%0.67445%0.446SS*.Hα-helixtrans-63-22.4-176.8-28.6-46.2000113.4H317H317-D319 IonicContact CE1-OD2 3.45Å; H317-D319 PolarHBondContact CE1-OD2 2.88Å; H317-D319 IonicContact ND1-OD2 2.75Å; H317-D319 PolarHBondContact ND1-OD2 3.24Å; H317-D319 PolarHBondContact O-N 2.79Å
320R70.7Confident70.5Confident101 Ų10183 Ų8338%0.38145%0.446SS..Hα-helixtrans-101.1-12.3-177.4-55-171.8-177-148.1-4.6112.5H315 H317 P318 G322 H323H315-R320 PolarHBondContact CD2-O 2.75Å; H317-R320 HydrophobicContact CB-CB 4.39Å; H317-R320 HydrophobicContact CB-CG 4.36Å; H317-R320 CarbonylContact O-C 3.59Å; H317-R320 PolarHBondContact O-N 2.93Å; P318-R320 PolarHBondContact O-N 3.4Å; P318-R320 VanDerWaalsContact O-N 3.12Å; R320-G322 PolarHBondContact O-N 2.97Å; R320-H323 VanDerWaalsContact O-CB 3.28Å; R320-H323 WeakPolarHBondContact O-CB 3.42Å; R320-H323 VanDerWaalsContact O-CG 3.23Å; R320-H323 PolarHBondContact O-N 3.39Å
321R67.3Low68.7Low183 Ų18383.9 Ų83.969%0.69145%0.454SS*.Hα-helixtrans-63.9-28-175.3-158.2172.8-174.7176.12.1112.8H317 P318H317-R321 PolarHBondContact O-N 3.11Å; P318-R321 VanDerWaalsContact O-CB 3.3Å; P318-R321 WeakPolarHBondContact O-CB 3.35Å; P318-R321 PolarHBondContact O-N 2.89Å; P318-R321 VanDerWaalsContact O-N 3.13Å
322G67.7Low66.5Low77 Ų7787.5 Ų87.579%0.79448%0.484SS*.THydrogen-bonded Turntrans-88.34.8174.500000115.7R320R320-G322 PolarHBondContact O-N 2.97Å
323H83.1Confident64.5Low35 Ų3582.7 Ų82.716%0.16249%0.486CS..  trans-61.4139.3176.9-74.6-177.6000112.1H315 R320 R325H315-H323 AromaticContact CD2-CG 3.83Å; H315-H323 AromaticContact CD2-ND1 3.32Å; H315-H323 PolarHBondContact CD2-ND1 2.91Å; H315-H323 VanDerWaalsContact CD2-ND1 3.32Å; H315-H323 AromaticContact NE2-CG 3.88Å; H315-H323 AromaticContact NE2-ND1 3.11Å; H315-H323 PolarHBondContact NE2-ND1 3.01Å; H315-H323 VanDerWaalsContact NE2-ND1 3.11Å; R320-H323 VanDerWaalsContact O-CB 3.28Å; R320-H323 WeakPolarHBondContact O-CB 3.42Å; R320-H323 VanDerWaalsContact O-CG 3.23Å; R320-H323 PolarHBondContact O-N 3.39Å; H323-R325 PolarHBondContact O-N 3.39Å
324S71.9Confident62.6Low71 Ų7180.7 Ų80.750%0.49749%0.488SS..  trans-73.3119174.4-170.70000109.7S300 T301S300-S324 PolarHBondContact N-O 3.49Å; S300-S324 WeakPolarHBondContact OG-CB 3.17Å; S300-S324 PolarHBondContact OG-O 2.78Å; T301-S324 PolarHBondContact OG1-N 2.99Å
325R83.7Confident60.5Low101 Ų10181.4 Ų81.438%0.38151%0.505SS..EExtended strand (participates in β ladder)trans-127.4125.6-172.2-74.2178.9-74.2162.9-6.9110.4I297 Q298 C299 D311 H323I297-R325 HydrophobicContact CG2-CB 4Å; I297-R325 HydrophobicContact CG2-CG 4.3Å; Q298-R325 WeakPolarHBondContact O-CA 3.28Å; C299-R325 HydrophobicContact CB-CG 4.38Å; D311-R325 WeakPolarHBondContact OD1-CD 3.34Å; D311-R325 WeakPolarHBondContact OD2-CD 3.22Å; D311-R325 IonicContact OD2-CZ 2.71Å; D311-R325 IonicContact OD2-NH1 2.73Å; D311-R325 PolarHBondContact OD2-NH1 2.7Å; H323-R325 PolarHBondContact O-N 3.39Å
326T71.4Confident58.4Low71 Ų7186.8 Ų86.844%0.43654%0.543SS..EExtended strand (participates in β ladder)trans-108.6125.6-179.2-52.20000109.5I297 Q298 L328 A331I297-T326 WeakPolarHBondContact CA-O 3.32Å; Q298-T326 PolarHBondContact N-O 2.85Å; Q298-T326 PolarHBondContact O-N 3.28Å; T326-L328 PolarHBondContact O-N 2.92Å; T326-A331 HydrophobicContact CG2-CB 4.5Å
327N70.8Confident56.5Low62 Ų6287.2 Ų87.233%0.33255%0.546SS..EExtended strand (participates in β ladder)trans-81.7113.8174-173.8-26.6000109.5S296 A329 V330 A331S296-N327 PolarHBondContact O-OD1 2.99Å; N327-A329 VanDerWaalsContact C-N 3.31Å; N327-A329 PolarHBondContact O-N 2.99Å; N327-A329 WeakPolarHBondContact OD1-CB 3.32Å; N327-A329 PolarHBondContact OD1-N 2.94Å; N327-A329 VanDerWaalsContact OD1-N 3.08Å; N327-V330 HydrophobicContact CB-CG2 4.37Å; N327-V330 PolarHBondContact O-N 3.27Å; N327-A331 PolarHBondContact O-N 3.17Å
328L65.3Low54.9Low49 Ų4990.8 Ų90.826%0.25757%0.568SS.*Hα-helixtrans-71.1-26.7-173.3-74.1163.5000112.5V295 S296 Q298 T326 V330 A331 A332V295-L328 HydrophobicContact CG1-CD1 3.51Å; S296-L328 PolarHBondContact O-N 3.33Å; Q298-L328 HydrophobicContact CB-CD1 3.89Å; Q298-L328 HydrophobicContact CB-CG 4.29Å; T326-L328 PolarHBondContact O-N 2.92Å; L328-V330 PolarHBondContact O-N 2.92Å; L328-A331 PolarHBondContact O-N 2.91Å; L328-A332 PolarHBondContact O-N 3.47Å; L328-A332 VanDerWaalsContact O-N 3.12Å
329A50.7Low53.4Low81 Ų8191.6 Ų91.667%0.66958%0.576SS**Hα-helixtrans-67.3-20.6175.400000113.2N327N327-A329 VanDerWaalsContact C-N 3.31Å; N327-A329 PolarHBondContact O-N 2.99Å; N327-A329 WeakPolarHBondContact OD1-CB 3.32Å; N327-A329 PolarHBondContact OD1-N 2.94Å; N327-A329 VanDerWaalsContact OD1-N 3.08Å
330V44.7Very low51.9Low105 Ų10590.9 Ų90.964%0.63657%0.571SS**Hα-helixtrans-94.4-36.9175-174.80000111.1N327 L328 A332 A333N327-V330 HydrophobicContact CB-CG2 4.37Å; N327-V330 PolarHBondContact O-N 3.27Å; L328-V330 PolarHBondContact O-N 2.92Å; V330-A332 VanDerWaalsContact C-N 3.29Å; V330-A332 PolarHBondContact O-N 3.26Å; V330-A333 PolarHBondContact O-N 3.06Å
331A40.6Very low50.9Low34 Ų3490.2 Ų90.228%0.28158%0.582SS.*Hα-helixtrans-63.8-32.2177.700000113.2T326 N327 L328 A333 A334 A335T326-A331 HydrophobicContact CG2-CB 4.5Å; N327-A331 PolarHBondContact O-N 3.17Å; L328-A331 PolarHBondContact O-N 2.91Å; A331-A333 PolarHBondContact O-N 2.91Å; A331-A333 VanDerWaalsContact O-N 3.1Å; A331-A334 PolarHBondContact O-N 3.24Å; A331-A335 PolarHBondContact O-N 3.1Å
332A37.1Very low50.7Low80 Ų8085.1 Ų85.166%0.66157%0.571SS**THydrogen-bonded Turntrans-59.2-20.3178.800000114.5L328 V330L328-A332 PolarHBondContact O-N 3.47Å; L328-A332 VanDerWaalsContact O-N 3.12Å; V330-A332 VanDerWaalsContact C-N 3.29Å; V330-A332 PolarHBondContact O-N 3.26Å
333A35.3Very low50.6Low94 Ų9482.5 Ų82.578%0.77754%0.538SS*.THydrogen-bonded Turntrans-87.3-6.9177.500000114.3V330 A331V330-A333 PolarHBondContact O-N 3.06Å; A331-A333 PolarHBondContact O-N 2.91Å; A331-A333 VanDerWaalsContact O-N 3.1Å
334A36.8Very low49.9Very low85 Ų8586.4 Ų86.470%0.70256%0.556SS**THydrogen-bonded Turntrans-131.7-7.1-168.900000115.4A331A331-A334 PolarHBondContact O-N 3.24Å
335A31.9Very low49.6Very low76 Ų7683.4 Ų83.463%0.62854%0.535SS*.  trans-104.819.5-169.900000115.4A331 S337A331-A335 PolarHBondContact O-N 3.1Å; A335-S337 PolarHBondContact O-N 3.28Å
336S34Very low48.6Very low119 Ų11982.2 Ų82.283%0.83255%0.547SS*.  trans-76.943.6178.7-610000113.8
337S29.8Very low48.1Very low88 Ų8881.7 Ų81.762%0.61554%0.539SS*.  trans-163.6108.4-179.739.10000114A335A335-S337 PolarHBondContact O-N 3.28Å
338L30.1Very low48.1Very low176 Ų17681 Ų8192%0.92154%0.539SS*.  trans68.5144.1158.2-56.9160.4000116.2
339S33.1Very low48.4Very low110 Ų11083.5 Ų83.577%0.76956%0.556SS**  cis-143.6155.25.457.90000112.2
340L34.4Very low49.4Very low110 Ų11081 Ų8158%0.57653%0.533SS*.  trans-117.5146.6158-87.8167.5000107.6
341S50.1Low50.7Low87 Ų8780.1 Ų80.161%0.60853%0.527SS*.  trans-65.4140.4-177.1-46.30000112.1M354S341-M354 WeakPolarHBondContact O-CB 3.43Å; S341-M354 PolarHBondContact O-N 2.61Å
342T61.9Low51.8Low76 Ų7678.7 Ų78.747%0.46652%0.515SS..EExtended strand (participates in β ladder)trans-130.2166.9-174.8520000113V351 N352T342-V351 VanDerWaalsContact CB-CG1 3.42Å; T342-V351 HydrophobicContact CG2-CG1 3.74Å; T342-V351 WeakPolarHBondContact OG1-CG1 3.43Å; T342-N352 CarbonylContact C-O 3.59Å; T342-N352 WeakPolarHBondContact CA-O 3.42Å; T342-N352 WeakPolarHBondContact CB-O 3.47Å; T342-N352 WeakPolarHBondContact CG2-O 3.44Å
343W65.6Low52.9Low22 Ų2278.2 Ų78.28%0.08350%0.499CS..EExtended strand (participates in β ladder)trans-137.5140.8170.366.9-81.8000110C345 N352 E353 V356 C359 R366W343-C345 HydrophobicContact CZ3-CB 4.1Å; W343-N352 HydrophobicContact CD2-CB 4.08Å; W343-N352 HydrophobicContact CG-CB 4.38Å; W343-N352 HydrophobicContact CZ2-CB 3.84Å; W343-N352 PolarHBondContact N-O 2.72Å; W343-N352 PolarHBondContact O-N 3.33Å; W343-E353 VanDerWaalsContact CD1-O 3.28Å; W343-E353 PolarHBondContact NE1-O 2.88Å; W343-E353 VanDerWaalsContact NE1-O 3.14Å; W343-V356 WeakPolarHBondContact CZ2-O 3.42Å; W343-V356 PolarHBondContact NE1-O 3.15Å; W343-C359 HydrophobicContact CH2-CB 3.93Å; W343-R366 HydrophobicContact CD2-CB 4.35Å; W343-R366 HydrophobicContact CD2-CG 3.75Å; W343-R366 HydrophobicContact CE3-CB 4.23Å; W343-R366 HydrophobicContact CE3-CG 3.7Å; W343-R366 HydrophobicContact CG-CG 4.39Å; W343-R366 HydrophobicContact CH2-CB 3.7Å; W343-R366 HydrophobicContact CH2-CG 4.12Å; W343-R366 HydrophobicContact CZ2-CB 3.81Å; W343-R366 HydrophobicContact CZ2-CG 4.16Å; W343-R366 HydrophobicContact CZ3-CB 3.91Å; W343-R366 HydrophobicContact CZ3-CG 3.88Å
344E69.1Low54Low118 Ų11878.7 Ų78.755%0.55149%0.487SS*.EExtended strand (participates in β ladder)trans-91.6136-178.6-160.8-178.2137.400111.7A346 T349 T350 V351E344-A346 PolarHBondContact O-N 3.02Å; E344-T349 WeakPolarHBondContact CG-O 3.49Å; E344-T349 VanDerWaalsContact OE1-CB 3.3Å; E344-T349 WeakPolarHBondContact OE1-CB 3.3Å; E344-T349 WeakPolarHBondContact OE1-CG2 3.42Å; E344-T350 CarbonylContact C-O 3.36Å; E344-T350 WeakPolarHBondContact CA-O 3.37Å; E344-V351 HydrophobicContact CG-CG2 4.11Å
345C65.5Low54.6Low8 Ų882.4 Ų82.45%0.05448%0.482CS..  trans-77.4111.4175.9-177.50000111W343 H347 C348 T349 T350 C359W343-C345 HydrophobicContact CZ3-CB 4.1Å; C345-H347 PolarHBondContact O-N 2.67Å; C345-C348 PolarHBondContact O-N 2.96Å; C345-T349 WeakPolarHBondContact O-CA 3.28Å; C345-T349 PolarHBondContact O-N 3.41Å; C345-T350 PolarHBondContact N-O 3.23Å; C345-C359 HydrophobicContact CB-CB 3.8Å; C345-C359 WeakPolarHBondContact CB-SG 3.41Å
346A62.2Low55.4Low76 Ų7680.9 Ų80.963%0.62847%0.465SS*.THydrogen-bonded Turntrans-60.13.6179.200000116.1E344E344-A346 PolarHBondContact O-N 3.02Å
347H60.9Low56.1Low60 Ų6080.2 Ų80.228%0.27846%0.456SS..THydrogen-bonded Turntrans-121.8-16.9-177.9-143.5-49.4000114.9C345 R364C345-H347 PolarHBondContact O-N 2.67Å; H347-R364 PolarHBondContact CD2-NH1 3.34Å; H347-R364 PolarHBondContact NE2-NH1 2.71Å
348C71.9Confident57.1Low47 Ų4779.6 Ų79.632%0.31845%0.445SS..THydrogen-bonded Turntrans-146.311.3176.369.10000113.8C345 T350C345-C348 PolarHBondContact O-N 2.96Å; C348-T350 PolarHBondContact O-N 2.98Å; C348-T350 PolarHBondContact SG-OG1 2.83Å
349T70.5Confident58.9Low101 Ų10171.2 Ų71.262%0.6240%0.401SS*.  trans54.513.5178.4560000115.9E344 C345 V351E344-T349 WeakPolarHBondContact CG-O 3.49Å; E344-T349 VanDerWaalsContact OE1-CB 3.3Å; E344-T349 WeakPolarHBondContact OE1-CB 3.3Å; E344-T349 WeakPolarHBondContact OE1-CG2 3.42Å; C345-T349 WeakPolarHBondContact O-CA 3.28Å; C345-T349 PolarHBondContact O-N 3.41Å; T349-V351 PolarHBondContact O-N 3.28Å
350T71.6Confident60.7Low29 Ų2970.4 Ų70.418%0.17839%0.392CS..  trans-65.4125.6173.6-560000110E344 C345 C348 N352 T361E344-T350 CarbonylContact C-O 3.36Å; E344-T350 WeakPolarHBondContact CA-O 3.37Å; C345-T350 PolarHBondContact N-O 3.23Å; C348-T350 PolarHBondContact O-N 2.98Å; C348-T350 PolarHBondContact SG-OG1 2.83Å; T350-N352 PolarHBondContact O-N 3.43Å; T350-N352 PolarHBondContact O-ND2 3.21Å; T350-T361 WeakPolarHBondContact CG2-OG1 3.33Å; T350-T361 VanDerWaalsContact OG1-CB 3.29Å; T350-T361 WeakPolarHBondContact OG1-CB 3.2Å; T350-T361 PolarHBondContact OG1-OG1 2.82Å
351V71.8Confident62.3Low87 Ų8769.9 Ų69.953%0.52739%0.393SS..EExtended strand (participates in β ladder)trans-81103.9170.9179.10000108.8T342 E344 T349T342-V351 VanDerWaalsContact CB-CG1 3.42Å; T342-V351 HydrophobicContact CG2-CG1 3.74Å; T342-V351 WeakPolarHBondContact OG1-CG1 3.43Å; E344-V351 HydrophobicContact CG-CG2 4.11Å; T349-V351 PolarHBondContact O-N 3.28Å
352N63.2Low63.2Low3 Ų368 Ų682%0.01638%0.38CS..EExtended strand (participates in β ladder)trans-96.4155.8-178.5-65-81.4000111.2T342 W343 T350 C359 T360T342-N352 CarbonylContact C-O 3.59Å; T342-N352 WeakPolarHBondContact CA-O 3.42Å; T342-N352 WeakPolarHBondContact CB-O 3.47Å; T342-N352 WeakPolarHBondContact CG2-O 3.44Å; W343-N352 HydrophobicContact CD2-CB 4.08Å; W343-N352 HydrophobicContact CG-CB 4.38Å; W343-N352 HydrophobicContact CZ2-CB 3.84Å; W343-N352 PolarHBondContact N-O 2.72Å; W343-N352 PolarHBondContact O-N 3.33Å; T350-N352 PolarHBondContact O-N 3.43Å; T350-N352 PolarHBondContact O-ND2 3.21Å; N352-C359 PolarHBondContact ND2-SG 3.1Å; N352-C359 VanDerWaalsContact OD1-CA 3.31Å; N352-C359 WeakPolarHBondContact OD1-CA 3.39Å; N352-T360 PolarHBondContact OD1-N 3.43Å; N352-T360 PolarHBondContact OD1-OG1 3.14Å
353E61.7Low62.8Low71 Ų7169.9 Ų69.933%0.33239%0.387SS..EExtended strand (participates in β ladder)trans-73.4147.6175.2-49.1-178.412300111.7W343 R355 V356W343-E353 VanDerWaalsContact CD1-O 3.28Å; W343-E353 PolarHBondContact NE1-O 2.88Å; W343-E353 VanDerWaalsContact NE1-O 3.14Å; E353-R355 HydrophobicContact CB-CG 3.97Å; E353-R355 PolarHBondContact O-N 3.06Å; E353-R355 IonicContact OE1-CZ 3.5Å; E353-R355 IonicContact OE1-NE 3.96Å; E353-R355 IonicContact OE1-NH2 2.88Å; E353-R355 PolarHBondContact OE1-NH2 2.96Å; E353-R355 IonicContact OE2-CZ 2.63Å; E353-R355 IonicContact OE2-NE 3.54Å; E353-R355 PolarHBondContact OE2-NE 2.74Å; E353-R355 IonicContact OE2-NH2 3.93Å; E353-R355 PolarHBondContact OE2-NH2 3.42Å; E353-V356 HydrophobicContact CB-CG2 4.06Å; E353-V356 PolarHBondContact O-N 3.15Å
354M58.3Low62.5Low104 Ų10474.1 Ų74.151%0.51240%0.403SS..THydrogen-bonded Turntrans-53.8-25.6-175.7-160.268.9161.900114.3S341 R366S341-M354 WeakPolarHBondContact O-CB 3.43Å; S341-M354 PolarHBondContact O-N 2.61Å; M354-R366 PolarHBondContact O-NH1 3.33Å; M354-R366 PolarHBondContact SD-NH1 2.84Å; M354-R366 PolarHBondContact SD-NH2 3.39Å
355R49.3Very low62Low163 Ų16371.8 Ų71.862%0.61540%0.398SS*.THydrogen-bonded Turntrans-80.8-19.6179.357.1-177.5165.7-141.10.5115.1E353E353-R355 HydrophobicContact CB-CG 3.97Å; E353-R355 PolarHBondContact O-N 3.06Å; E353-R355 IonicContact OE1-CZ 3.5Å; E353-R355 IonicContact OE1-NE 3.96Å; E353-R355 IonicContact OE1-NH2 2.88Å; E353-R355 PolarHBondContact OE1-NH2 2.96Å; E353-R355 IonicContact OE2-CZ 2.63Å; E353-R355 IonicContact OE2-NE 3.54Å; E353-R355 PolarHBondContact OE2-NE 2.74Å; E353-R355 IonicContact OE2-NH2 3.93Å; E353-R355 PolarHBondContact OE2-NH2 3.42Å
356V48.5Very low61.6Low43 Ų4376.2 Ų76.226%0.26141%0.414SS..  trans-87.9121.6-179.6-151.10000109W343 E353 L358 T360W343-V356 WeakPolarHBondContact CZ2-O 3.42Å; W343-V356 PolarHBondContact NE1-O 3.15Å; E353-V356 HydrophobicContact CB-CG2 4.06Å; E353-V356 PolarHBondContact O-N 3.15Å; V356-L358 WeakPolarHBondContact CG1-O 3.3Å; V356-T360 HydrophobicContact CG1-CG2 4.08Å; V356-T360 HydrophobicContact CG2-CG2 4.38Å
357V49.2Very low61Low106 Ų10680.5 Ų80.564%0.64243%0.425SS*.SBendtrans-83.5-24.1-177.7-171.20000111.8P365 R366V357-P365 CarbonylContact O-C 3.59Å; V357-P365 WeakPolarHBondContact O-CA 3.43Å; V357-R366 PolarHBondContact O-N 2.94Å
358L51.1Low60.2Low75 Ų7579.5 Ų79.539%0.39343%0.427SS..BIsolated β-bridgetrans-105.1152.2171.6-51.2-175.1000109.9V356 D363 R364 P365V356-L358 WeakPolarHBondContact CG1-O 3.3Å; L358-D363 HydrophobicContact CD1-CB 4.48Å; L358-R364 CarbonylContact C-O 3.39Å; L358-R364 WeakPolarHBondContact CA-O 3.35Å; L358-P365 HydrophobicContact CD2-CB 3.75Å
359C67.9Low58.6Low0 Ų083.1 Ų83.10%045%0.448CS..  trans-78.3120.1174.7169.40000111.2W343 C345 N352 T361 C362 D363 R364W343-C359 HydrophobicContact CH2-CB 3.93Å; C345-C359 HydrophobicContact CB-CB 3.8Å; C345-C359 WeakPolarHBondContact CB-SG 3.41Å; N352-C359 PolarHBondContact ND2-SG 3.1Å; N352-C359 VanDerWaalsContact OD1-CA 3.31Å; N352-C359 WeakPolarHBondContact OD1-CA 3.39Å; C359-T361 PolarHBondContact O-N 2.77Å; C359-C362 PolarHBondContact O-N 3.16Å; C359-C362 VanDerWaalsContact SG-SG 3.61Å; C359-D363 WeakPolarHBondContact O-CA 3.35Å; C359-D363 PolarHBondContact O-N 3.46Å; C359-R364 PolarHBondContact N-O 2.86Å
360T69.8Low57Low92 Ų9281.9 Ų81.956%0.56444%0.441SS*.THydrogen-bonded Turntrans-61.1-14.8-171.860.30000115.5N352 V356N352-T360 PolarHBondContact OD1-N 3.43Å; N352-T360 PolarHBondContact OD1-OG1 3.14Å; V356-T360 HydrophobicContact CG1-CG2 4.08Å; V356-T360 HydrophobicContact CG2-CG2 4.38Å
361T68.9Low55Low99 Ų9983.9 Ų83.961%0.60746%0.461SS*.THydrogen-bonded Turntrans-99.4-13.1176.9-40.30000114.3T350 C359T350-T361 WeakPolarHBondContact CG2-OG1 3.33Å; T350-T361 VanDerWaalsContact OG1-CB 3.29Å; T350-T361 WeakPolarHBondContact OG1-CB 3.2Å; T350-T361 PolarHBondContact OG1-OG1 2.82Å; C359-T361 PolarHBondContact O-N 2.77Å
362C68.2Low53.1Low48 Ų4888.5 Ų88.532%0.32448%0.481SS..THydrogen-bonded Turntrans-1485.6-175.471.70000115.7C359 R364C359-C362 PolarHBondContact O-N 3.16Å; C359-C362 VanDerWaalsContact SG-SG 3.61Å; C362-R364 PolarHBondContact O-N 3.35Å
363D54.4Low51.5Low116 Ų11692.9 Ų92.962%0.6252%0.517SS*.  trans5013.7-178.7-65.4-40.1000116.8L358 C359L358-D363 HydrophobicContact CD1-CB 4.48Å; C359-D363 WeakPolarHBondContact O-CA 3.35Å; C359-D363 PolarHBondContact O-N 3.46Å
364R59Low49.8Very low110 Ų11092.4 Ų92.442%0.41553%0.532SS..  trans-74.9136.8175.1-68.9-166.5176.8-153.19.7111.5H347 L358 C359 C362 A368H347-R364 PolarHBondContact CD2-NH1 3.34Å; H347-R364 PolarHBondContact NE2-NH1 2.71Å; L358-R364 CarbonylContact C-O 3.39Å; L358-R364 WeakPolarHBondContact CA-O 3.35Å; C359-R364 PolarHBondContact N-O 2.86Å; C362-R364 PolarHBondContact O-N 3.35Å; R364-A368 HydrophobicContact CB-CB 4.49Å
365P58.3Low48.5Very low70 Ų7096.2 Ų96.246%0.45555%0.549SS..BIsolated β-bridgetrans-67.6149.6178.326.9-33.2000112.1V357 L358 L367 A368V357-P365 CarbonylContact O-C 3.59Å; V357-P365 WeakPolarHBondContact O-CA 3.43Å; L358-P365 HydrophobicContact CD2-CB 3.75Å; P365-L367 PolarHBondContact O-N 2.75Å; P365-A368 HydrophobicContact CG-CB 4.23Å; P365-A368 WeakPolarHBondContact O-CB 3.22Å; P365-A368 PolarHBondContact O-N 2.72Å
366R56.8Low47.4Very low101 Ų10195.9 Ų95.938%0.38156%0.559SS.*THydrogen-bonded Turntrans-52.5-17.7-176.1-179.4168.9179.1171.83.4116.4W343 M354 V357W343-R366 HydrophobicContact CD2-CB 4.35Å; W343-R366 HydrophobicContact CD2-CG 3.75Å; W343-R366 HydrophobicContact CE3-CB 4.23Å; W343-R366 HydrophobicContact CE3-CG 3.7Å; W343-R366 HydrophobicContact CG-CG 4.39Å; W343-R366 HydrophobicContact CH2-CB 3.7Å; W343-R366 HydrophobicContact CH2-CG 4.12Å; W343-R366 HydrophobicContact CZ2-CB 3.81Å; W343-R366 HydrophobicContact CZ2-CG 4.16Å; W343-R366 HydrophobicContact CZ3-CB 3.91Å; W343-R366 HydrophobicContact CZ3-CG 3.88Å; M354-R366 PolarHBondContact O-NH1 3.33Å; M354-R366 PolarHBondContact SD-NH1 2.84Å; M354-R366 PolarHBondContact SD-NH2 3.39Å; V357-R366 PolarHBondContact O-N 2.94Å
367L49.4Very low46.4Very low165 Ų16597.5 Ų97.586%0.86458%0.584SS**THydrogen-bonded Turntrans-10910.5-179.1-62.7172.6000113.6P365 T369P365-L367 PolarHBondContact O-N 2.75Å; L367-T369 PolarHBondContact O-N 3.23Å
368A44.6Very low45.4Very low39 Ų3998.9 Ų98.932%0.32260%0.598SS.*  trans-77.6104177.900000112R364 P365R364-A368 HydrophobicContact CB-CB 4.49Å; P365-A368 HydrophobicContact CG-CB 4.23Å; P365-A368 WeakPolarHBondContact O-CB 3.22Å; P365-A368 PolarHBondContact O-N 2.72Å
369T37.9Very low44.1Very low124 Ų12498.6 Ų98.676%0.76161%0.613SS**  trans-57.7138.9174.4-30.90000111.5L367L367-T369 PolarHBondContact O-N 3.23Å
370P36.5Very low43.7Very low74 Ų74104.3 Ų104.348%0.48165%0.651SS.*  trans-72.6140.8-17828-35.1000113.2
371A30.9Very low41.6Very low71 Ų71106.6 Ų106.659%0.58767%0.665SS**  trans-111.1137.5162.600000108.3
372I31.6Very low39.8Very low184 Ų184106.7 Ų106.794%0.94467%0.669SS**  trans-72.7152.9-164.8-65.4172.6000111.9
373A28.9Very low38.8Very low95 Ų95113.2 Ų113.279%0.78570%0.695SS**  trans-110.9173.4-154.100000116.2
374G26.3Very low38.1Very low62 Ų62113.8 Ų113.864%0.63970%0.698SS**  trans170.898.2167.100000107.5
375Q31.2Very low37.7Very low184 Ų184114.5 Ų114.586%0.8672%0.715SS**  62130.984-76.6-178.1-31.900112.9
376D27.2Very low37.7Very low156 Ų156115.7 Ų115.783%0.83472%0.715SS**  cis-123.6-177.29.3-78.2-53.1000113.3
377G26.7Very low38.2Very low76 Ų76112 Ų11278%0.78470%0.701SS**  trans-159.9178.2179.900000115.7
378S28Very low39Very low135 Ų135109.7 Ų109.794%0.94469%0.685SS**  trans-162166.6171.461.80000111.3
379G24.8Very low39.8Very low69 Ų69108.1 Ų108.171%0.71167%0.672SS**  trans-176.5-160.1174.400000108.8
380P57.5Low40.5Very low120 Ų120110.7 Ų110.778%0.77967%0.673SS**  cis-123.3169.9-20.539.7-27.5000111.9
381T26.5Very low41.1Very low141 Ų141110.9 Ų110.987%0.86568%0.676SS**  trans-160.8144.6155.8-8.30000115.6
382S30.4Very low42.2Very low100 Ų100109.7 Ų109.770%0.69966%0.662SS**  trans-3141.8164.9-53.50000123.4
383Q47.6Very low43.5Very low186 Ų186105.8 Ų105.887%0.86965%0.647SS**  trans24.1130.1136.9-62.6178.3-11.800119.5
384N40.4Very low45.2Very low127 Ų127103.8 Ų103.868%0.67962%0.622SS**  trans-144.1114.5155.6-125.6-67.1000112.1E386N384-E386 PolarHBondContact O-N 3.45Å; N384-E386 PolarHBondContact OD1-O 3.13Å
385T49.8Very low47.6Very low126 Ų126104 Ų10477%0.77361%0.611SS**SBendtrans-78.2-0.5177.933.20000113.6G398T385-G398 VanDerWaalsContact O-CA 3.24Å; T385-G398 WeakPolarHBondContact O-CA 3.24Å; T385-G398 PolarHBondContact O-N 2.81Å
386E58.2Low49Very low95 Ų9595.3 Ų95.344%0.44457%0.571SS.*EExtended strand (participates in β ladder)trans-138.5167.4173.8-61.6-168.2156.100110.8N384 V395 N396N384-E386 PolarHBondContact O-N 3.45Å; N384-E386 PolarHBondContact OD1-O 3.13Å; E386-V395 HydrophobicContact CB-CG1 4.15Å; E386-V395 WeakPolarHBondContact OE2-CG1 3.47Å; E386-N396 CarbonylContact C-O 3.58Å; E386-N396 WeakPolarHBondContact CA-O 3.41Å
387W68.3Low50.7Low23 Ų2394.1 Ų94.19%0.08756%0.56CS.*EExtended strand (participates in β ladder)trans-149.8130.117167.4-80000112.7C389 N396 Q397 S400 C403 R410W387-C389 HydrophobicContact CE3-CB 4.48Å; W387-C389 HydrophobicContact CZ3-CB 3.89Å; W387-N396 HydrophobicContact CD2-CB 4.27Å; W387-N396 HydrophobicContact CZ2-CB 4.16Å; W387-N396 PolarHBondContact N-O 3.02Å; W387-N396 PolarHBondContact O-N 3.46Å; W387-N396 PolarHBondContact O-ND2 2.66Å; W387-Q397 VanDerWaalsContact CD1-O 3.28Å; W387-Q397 PolarHBondContact NE1-O 3.02Å; W387-S400 PolarHBondContact NE1-O 2.66Å; W387-C403 HydrophobicContact CH2-CB 3.89Å; W387-C403 HydrophobicContact CZ3-CB 4.49Å; W387-R410 HydrophobicContact CB-CG 4.44Å; W387-R410 HydrophobicContact CD2-CB 4.05Å; W387-R410 HydrophobicContact CD2-CG 3.56Å; W387-R410 HydrophobicContact CE3-CB 4.12Å; W387-R410 HydrophobicContact CE3-CG 3.81Å; W387-R410 HydrophobicContact CG-CG 3.86Å; W387-R410 VanDerWaalsContact CG-NE 3.35Å; W387-R410 HydrophobicContact CH2-CB 3.93Å; W387-R410 HydrophobicContact CH2-CG 4.5Å; W387-R410 HydrophobicContact CZ2-CB 3.84Å; W387-R410 HydrophobicContact CZ2-CG 4.3Å; W387-R410 HydrophobicContact CZ3-CB 4.07Å; W387-R410 HydrophobicContact CZ3-CG 4.27Å
388Q65.1Low52Low117 Ų11791.5 Ų91.555%0.54753%0.533SS..EExtended strand (participates in β ladder)trans-82.8130.5174.9-159.2167.226.500110.9K390 T393 M394 V395Q388-K390 PolarHBondContact O-N 2.68Å; Q388-T393 WeakPolarHBondContact CG-O 3.06Å; Q388-T393 PolarHBondContact NE2-O 2.56Å; Q388-M394 CarbonylContact C-O 3.6Å; Q388-M394 WeakPolarHBondContact CA-O 3.3Å; Q388-V395 HydrophobicContact CB-CG2 4.24Å; Q388-V395 HydrophobicContact CG-CG2 3.82Å
389C63.1Low53.3Low5 Ų588.9 Ų88.93%0.03451%0.514CS..  trans-70.3119.6-178-179.50000111W387 S391 C392 T393 M394 C403W387-C389 HydrophobicContact CE3-CB 4.48Å; W387-C389 HydrophobicContact CZ3-CB 3.89Å; C389-S391 PolarHBondContact O-N 3.35Å; C389-C392 PolarHBondContact O-N 3.44Å; C389-T393 VanDerWaalsContact O-CA 3.3Å; C389-T393 WeakPolarHBondContact O-CA 3.48Å; C389-T393 PolarHBondContact O-N 2.86Å; C389-M394 PolarHBondContact N-O 2.82Å; C389-C403 HydrophobicContact CB-CB 3.86Å
390K52.1Low54.4Low179 Ų17988 Ų8878%0.77850%0.497SS*.THydrogen-bonded Turntrans-69.46.3-178.2-60.8-178.3-179.6177.60114.5Q388Q388-K390 PolarHBondContact O-N 2.68Å
391S49.6Very low54.1Low78 Ų7888.4 Ų88.455%0.54549%0.491SS..THydrogen-bonded Turntrans-117-37.5176.3-58.10000114C389C389-S391 PolarHBondContact O-N 3.35Å
392C53.7Low55.1Low46 Ų4685.6 Ų85.631%0.31147%0.471SS..THydrogen-bonded Turntrans-123.11.6-179.368.80000114.9C389 M394C389-C392 PolarHBondContact O-N 3.44Å; C392-M394 PolarHBondContact O-N 3.11Å; C392-M394 VanDerWaalsContact O-N 3.11Å
393T57.5Low56.6Low102 Ų10280.8 Ų80.863%0.62644%0.437SS*.  trans62.37-179.965.90000117.3Q388 C389Q388-T393 WeakPolarHBondContact CG-O 3.06Å; Q388-T393 PolarHBondContact NE2-O 2.56Å; C389-T393 VanDerWaalsContact O-CA 3.3Å; C389-T393 WeakPolarHBondContact O-CA 3.48Å; C389-T393 PolarHBondContact O-N 2.86Å
394M65.6Low56.9Low52 Ų5279.1 Ų79.126%0.25643%0.43SS..  trans-68138.7171.7-138.4-58.5-69.300111.4Q388 C389 C392 N396 E404 V405Q388-M394 CarbonylContact C-O 3.6Å; Q388-M394 WeakPolarHBondContact CA-O 3.3Å; C389-M394 PolarHBondContact N-O 2.82Å; C392-M394 PolarHBondContact O-N 3.11Å; C392-M394 VanDerWaalsContact O-N 3.11Å; M394-N396 WeakPolarHBondContact CE-OD1 3.48Å; M394-N396 PolarHBondContact O-ND2 3.29Å; M394-E404 HydrophobicContact CE-CG 3.43Å; M394-E404 VanDerWaalsContact CE-CG 3.43Å; M394-E404 WeakPolarHBondContact CE-OE1 3.31Å; M394-V405 HydrophobicContact CG-CB 4.31Å; M394-V405 HydrophobicContact CG-CG2 3.84Å
395V75.7Confident57.4Low67 Ų6777.9 Ų77.941%0.40643%0.426SS..EExtended strand (participates in β ladder)trans-93.3115.9-179.5-177.60000110.2E386 Q388E386-V395 HydrophobicContact CB-CG1 4.15Å; E386-V395 WeakPolarHBondContact OE2-CG1 3.47Å; Q388-V395 HydrophobicContact CB-CG2 4.24Å; Q388-V395 HydrophobicContact CG-CG2 3.82Å
396N61Low57.1Low2 Ų274 Ų741%0.01140%0.404CS..EExtended strand (participates in β ladder)trans-109.9153.3-174.9-40.7-96000109.4E386 W387 M394 C403 E404E386-N396 CarbonylContact C-O 3.58Å; E386-N396 WeakPolarHBondContact CA-O 3.41Å; W387-N396 HydrophobicContact CD2-CB 4.27Å; W387-N396 HydrophobicContact CZ2-CB 4.16Å; W387-N396 PolarHBondContact N-O 3.02Å; W387-N396 PolarHBondContact O-N 3.46Å; W387-N396 PolarHBondContact O-ND2 2.66Å; M394-N396 WeakPolarHBondContact CE-OD1 3.48Å; M394-N396 PolarHBondContact O-ND2 3.29Å; N396-C403 VanDerWaalsContact OD1-CA 3.24Å; N396-C403 WeakPolarHBondContact OD1-CA 3.3Å; N396-C403 PolarHBondContact OD1-SG 3.13Å; N396-E404 PolarHBondContact OD1-N 3.48Å
397Q63.8Low56.4Low131 Ų13176.7 Ų76.761%0.61242%0.416SS*.EExtended strand (participates in β ladder)trans-66.3148.3174.7-72.3-177-11.400112.5W387 S399 S400W387-Q397 VanDerWaalsContact CD1-O 3.28Å; W387-Q397 PolarHBondContact NE1-O 3.02Å; Q397-S399 PolarHBondContact O-N 3.14Å; Q397-S399 VanDerWaalsContact O-N 3.14Å; Q397-S400 WeakPolarHBondContact O-CB 3.44Å; Q397-S400 PolarHBondContact O-N 3.3Å
398G54.2Low55.6Low20 Ų2082.5 Ų82.521%0.20644%0.438CS..THydrogen-bonded Turntrans-67.1-12.2-172.900000114.9T385 R410T385-G398 VanDerWaalsContact O-CA 3.24Å; T385-G398 WeakPolarHBondContact O-CA 3.24Å; T385-G398 PolarHBondContact O-N 2.81Å; G398-R410 PolarHBondContact O-NH1 2.85Å
399S54.3Low54.9Low80 Ų8080.6 Ų80.656%0.55944%0.436SS*.THydrogen-bonded Turntrans-85.4-21.8169.747.50000113.3Q397Q397-S399 PolarHBondContact O-N 3.14Å; Q397-S399 VanDerWaalsContact O-N 3.14Å
400S49Very low54.4Low50 Ų5084.5 Ų84.535%0.3545%0.45SS..  trans-77138.6178.9-169.10000111.7W387 Q397 L402W387-S400 PolarHBondContact NE1-O 2.66Å; Q397-S400 WeakPolarHBondContact O-CB 3.44Å; Q397-S400 PolarHBondContact O-N 3.3Å; S400-L402 PolarHBondContact OG-O 3.26Å
401I51.2Low54.1Low129 Ų12983.3 Ų83.366%0.66245%0.451SS*.SBendtrans-94.4-28.8-178.2-28.2178.8000111.6P409 R410I401-P409 WeakPolarHBondContact O-CA 3.39Å; I401-R410 PolarHBondContact O-N 2.8Å
402L46.4Very low53.6Low82 Ų8281.9 Ų81.943%0.42944%0.444SS..BIsolated β-bridgetrans-116.9154.9179.9-52.3-176.1000110.1S400 R408 P409S400-L402 PolarHBondContact OG-O 3.26Å; L402-R408 WeakPolarHBondContact CA-O 3.19Å; L402-P409 HydrophobicContact CD2-CB 4.04Å; L402-P409 HydrophobicContact CD2-CG 3.74Å
403C62.7Low52.8Low0 Ų086.1 Ų86.10%047%0.469CS..  trans-80.4127.6174.7176.60000111.4W387 C389 N396 V405 C406 E407 R408W387-C403 HydrophobicContact CH2-CB 3.89Å; W387-C403 HydrophobicContact CZ3-CB 4.49Å; C389-C403 HydrophobicContact CB-CB 3.86Å; N396-C403 VanDerWaalsContact OD1-CA 3.24Å; N396-C403 WeakPolarHBondContact OD1-CA 3.3Å; N396-C403 PolarHBondContact OD1-SG 3.13Å; C403-V405 PolarHBondContact O-N 3.24Å; C403-V405 VanDerWaalsContact O-N 3.09Å; C403-C406 PolarHBondContact O-N 3.38Å; C403-E407 WeakPolarHBondContact O-CA 3.47Å; C403-E407 PolarHBondContact O-N 3.12Å; C403-R408 PolarHBondContact N-O 2.98Å
404E53.7Low51.8Low151 Ų15192.6 Ų92.671%0.70648%0.482SS*.THydrogen-bonded Turntrans-64.5-15.7-175.456.9174.6-138.600115.1M394 N396M394-E404 HydrophobicContact CE-CG 3.43Å; M394-E404 VanDerWaalsContact CE-CG 3.43Å; M394-E404 WeakPolarHBondContact CE-OE1 3.31Å; N396-E404 PolarHBondContact OD1-N 3.48Å
405V50.8Low50.2Low100 Ų10095.8 Ų95.861%0.60651%0.507SS*.THydrogen-bonded Turntrans-103.3-17.2178.6172.30000113.6M394 C403M394-V405 HydrophobicContact CG-CB 4.31Å; M394-V405 HydrophobicContact CG-CG2 3.84Å; C403-V405 PolarHBondContact O-N 3.24Å; C403-V405 VanDerWaalsContact O-N 3.09Å
406C42.8Very low48.1Very low45 Ų4598.4 Ų98.430%0.30453%0.525SS..THydrogen-bonded Turntrans-142.38.2-178.371.10000115.7C403 R408C403-C406 PolarHBondContact O-N 3.38Å; C406-R408 PolarHBondContact O-N 2.95Å
407E43Very low46.4Very low152 Ų152105 Ų10571%0.7157%0.565SS**  trans5310.7174.8-59.2-175.5177.700116.4C403C403-E407 WeakPolarHBondContact O-CA 3.47Å; C403-E407 PolarHBondContact O-N 3.12Å
408R52.3Low44.8Very low145 Ų145104.2 Ų104.255%0.54757%0.571SS.*  trans-80141.3-179.8-78.3-169.9167-133.3-5.3112.9L402 C403 C406L402-R408 WeakPolarHBondContact CA-O 3.19Å; C403-R408 PolarHBondContact N-O 2.98Å; C406-R408 PolarHBondContact O-N 2.95Å
409P50Low44.1Very low76 Ų76108.8 Ų108.849%0.49460%0.597SS.*BIsolated β-bridgetrans-66.2147178.7-20.931.8000114.7I401 L402 L411 A412I401-P409 WeakPolarHBondContact O-CA 3.39Å; L402-P409 HydrophobicContact CD2-CB 4.04Å; L402-P409 HydrophobicContact CD2-CG 3.74Å; P409-L411 PolarHBondContact O-N 2.91Å; P409-A412 PolarHBondContact O-N 3.48Å
410R53Low42.8Very low88 Ų88109.8 Ų109.833%0.33261%0.61SS.*THydrogen-bonded Turntrans-51-22.1-179.6-174.1170.8-172.3-177.98116.6W387 G398 I401W387-R410 HydrophobicContact CB-CG 4.44Å; W387-R410 HydrophobicContact CD2-CB 4.05Å; W387-R410 HydrophobicContact CD2-CG 3.56Å; W387-R410 HydrophobicContact CE3-CB 4.12Å; W387-R410 HydrophobicContact CE3-CG 3.81Å; W387-R410 HydrophobicContact CG-CG 3.86Å; W387-R410 VanDerWaalsContact CG-NE 3.35Å; W387-R410 HydrophobicContact CH2-CB 3.93Å; W387-R410 HydrophobicContact CH2-CG 4.5Å; W387-R410 HydrophobicContact CZ2-CB 3.84Å; W387-R410 HydrophobicContact CZ2-CG 4.3Å; W387-R410 HydrophobicContact CZ3-CB 4.07Å; W387-R410 HydrophobicContact CZ3-CG 4.27Å; G398-R410 PolarHBondContact O-NH1 2.85Å; I401-R410 PolarHBondContact O-N 2.8Å
411L45.7Very low41.7Very low153 Ų153111.5 Ų111.580%0.80163%0.628SS**THydrogen-bonded Turntrans-112.95.7-168.8-62.9178.1000115.6P409 T413P409-L411 PolarHBondContact O-N 2.91Å; L411-T413 PolarHBondContact O-N 2.93Å
412A39.4Very low40.8Very low49 Ų49114.5 Ų114.541%0.40564%0.639SS.*  trans-67.1127.1176.100000111.9P409P409-A412 PolarHBondContact O-N 3.48Å
413T36.3Very low40.4Very low135 Ų135116.4 Ų116.483%0.82866%0.659SS**  trans-102.5163.8-175.949.70000113.3L411L411-T413 PolarHBondContact O-N 2.93Å
414R38.1Very low39.3Very low238 Ų238118.7 Ų118.790%0.89868%0.683SS**  trans-113.1138.3175.1-172.1-177.7-175.2-173.42.8109.7
415P30.9Very low39.3Very low119 Ų119116.8 Ų116.877%0.77369%0.686SS**  trans-64.7159.5176.4-2435.4000114.5
416P31.1Very low39.6Very low122 Ų122118.6 Ų118.679%0.79269%0.686SS**  trans-105.9159.7-15939.7-36000116.5
417V26.2Very low40.9Very low140 Ų140118.8 Ų118.885%0.84868%0.68SS**  trans-145.1142.1158.9-178.10000107.3
418P29.5Very low41.9Very low114 Ų114115.4 Ų115.474%0.7467%0.67SS**  trans-96.7-168.5-170.941.3-38.8000113.2
419P38.9Very low42.5Very low117 Ų117108.5 Ų108.576%0.7664%0.644SS**  -129.5-172.3-69.841-25.9000113.1
420A27Very low42.6Very low101 Ų101112.4 Ų112.484%0.83566%0.656SS**  trans69.8151.216600000117.9
421A27.8Very low42.5Very low86 Ų86114.5 Ų114.571%0.71167%0.668SS**  cis-158.2157.5-1500000112.8
422E31.5Very low43.1Very low192 Ų192109.6 Ų109.690%0.89765%0.645SS**  trans60.6159.9144.9-73.1-179-179.300125
423S38.3Very low43.7Very low121 Ų121112.6 Ų112.685%0.84666%0.659SS**  trans-65.6153.5-162.649.80000118.7
424G38.8Very low44.8Very low49 Ų49109.1 Ų109.151%0.50563%0.632SS.*  trans-177.3132.3160.700000111.3K426G424-K426 PolarHBondContact O-N 3.37Å
425S54Low46.1Very low111 Ų111100.7 Ų100.778%0.77661%0.607SS**  trans-60.8131.5-170.7-55.30000113.2
426K56.4Low47.8Very low137 Ų13795 Ų9560%0.59657%0.57SS**  trans-127.9142.5-170.4-83.7166.1-171-169.50112G424 V435 N436 S437G424-K426 PolarHBondContact O-N 3.37Å; K426-V435 HydrophobicContact CB-CG1 3.69Å; K426-V435 HydrophobicContact CD-CG1 4.02Å; K426-V435 HydrophobicContact CG-CG1 3.99Å; K426-N436 VanDerWaalsContact CA-O 3.27Å; K426-N436 WeakPolarHBondContact CA-O 3.45Å; K426-N436 WeakPolarHBondContact CG-O 3.48Å; K426-S437 VanDerWaalsContact CE-OG 3.31Å; K426-S437 WeakPolarHBondContact CE-OG 3.21Å
427W70.3Confident49.2Very low49 Ų4992.2 Ų92.219%0.18655%0.553CS.*EExtended strand (participates in β ladder)trans-130.3138.2174.576.1-92.3000112.6C429 N436 S440 C443 C450W427-C429 HydrophobicContact CH2-CB 4.33Å; W427-C429 HydrophobicContact CZ3-CB 3.95Å; W427-N436 HydrophobicContact CD2-CB 4.32Å; W427-N436 HydrophobicContact CG-CB 4.28Å; W427-N436 HydrophobicContact CZ2-CB 4.49Å; W427-N436 WeakPolarHBondContact CZ2-ND2 3.4Å; W427-N436 PolarHBondContact N-O 3.36Å; W427-N436 PolarHBondContact O-N 2.95Å; W427-N436 PolarHBondContact O-ND2 3.15Å; W427-S440 WeakPolarHBondContact CZ2-O 3.34Å; W427-S440 PolarHBondContact NE1-O 3.3Å; W427-C443 HydrophobicContact CH2-CB 4.14Å; W427-C450 HydrophobicContact CE3-CB 4.17Å; W427-C450 HydrophobicContact CH2-CB 3.7Å; W427-C450 HydrophobicContact CZ2-CB 4.09Å; W427-C450 HydrophobicContact CZ3-CB 3.73Å
428T65Low50.7Low81 Ų8192.2 Ų92.250%0.49754%0.542SS..EExtended strand (participates in β ladder)trans-93.6122.3-175.5-50.70000110.8Q430 T433 F434 V435T428-Q430 PolarHBondContact O-N 3.38Å; T428-T433 WeakPolarHBondContact CG2-O 3.42Å; T428-F434 WeakPolarHBondContact CA-O 3.44Å; T428-V435 HydrophobicContact CG2-CG2 4.25Å
429C64.3Low52Low1 Ų193.2 Ų93.21%0.00755%0.549CS..  trans-73.4115.4177.7-179.20000111.3W427 F431 C432 T433 F434 C443W427-C429 HydrophobicContact CH2-CB 4.33Å; W427-C429 HydrophobicContact CZ3-CB 3.95Å; C429-F431 PolarHBondContact O-N 3.05Å; C429-F431 VanDerWaalsContact O-N 3.08Å; C429-C432 PolarHBondContact O-N 3.25Å; C429-C432 VanDerWaalsContact SG-SG 3.67Å; C429-T433 VanDerWaalsContact O-CA 3.23Å; C429-T433 WeakPolarHBondContact O-CA 3.47Å; C429-T433 PolarHBondContact O-N 3.32Å; C429-F434 PolarHBondContact N-O 2.97Å; C429-C443 HydrophobicContact CB-CB 3.79Å; C429-C443 VanDerWaalsContact CB-SG 3.5Å
430Q51.1Low52.9Low157 Ų15789.7 Ų89.773%0.73453%0.527SS*.THydrogen-bonded Turntrans-61.5-19.2-177.7-64.4175.82.300114.2T428T428-Q430 PolarHBondContact O-N 3.38Å
431F51.4Low54.6Low133 Ų13388.7 Ų88.758%0.58352%0.518SS*.THydrogen-bonded Turntrans-87.9-22.3-179.2-59.7-73000114.9C429 L448C429-F431 PolarHBondContact O-N 3.05Å; C429-F431 VanDerWaalsContact O-N 3.08Å; F431-L448 HydrophobicContact CB-CD1 4Å; F431-L448 HydrophobicContact CD2-CB 4.12Å; F431-L448 HydrophobicContact CD2-CD1 4.02Å; F431-L448 HydrophobicContact CG-CD1 3.94Å
432C58.9Low56.5Low49 Ų4987.4 Ų87.433%0.33150%0.502SS..THydrogen-bonded Turntrans-143.58.2-174.866.50000114.3C429 F434 C443 C446C429-C432 PolarHBondContact O-N 3.25Å; C429-C432 VanDerWaalsContact SG-SG 3.67Å; C432-F434 PolarHBondContact O-N 3.16Å; C432-C443 VanDerWaalsContact SG-SG 3.61Å; C432-C446 HydrophobicContact CB-CB 4.45Å; C432-C446 PolarHBondContact SG-SG 2.61Å
433T52.5Low58.6Low113 Ų11378.3 Ų78.369%0.69346%0.459SS*.  trans53.57-176.764.80000116.9T428 C429T428-T433 WeakPolarHBondContact CG2-O 3.42Å; C429-T433 VanDerWaalsContact O-CA 3.23Å; C429-T433 WeakPolarHBondContact O-CA 3.47Å; C429-T433 PolarHBondContact O-N 3.32Å
434F58.4Low59.9Low61 Ų6177.6 Ų77.627%0.26844%0.442SS..  trans-67.8139.2177.6-174.8-100.9000112.8T428 C429 C432 N436 E444 M445T428-F434 WeakPolarHBondContact CA-O 3.44Å; C429-F434 PolarHBondContact N-O 2.97Å; C432-F434 PolarHBondContact O-N 3.16Å; F434-N436 WeakPolarHBondContact CD1-OD1 3.21Å; F434-E444 HydrophobicContact CE1-CB 4.03Å; F434-M445 HydrophobicContact CB-CB 3.79Å; F434-M445 HydrophobicContact CB-CG 4.37Å; F434-M445 HydrophobicContact CD1-CB 3.82Å; F434-M445 HydrophobicContact CD2-CB 4.03Å; F434-M445 HydrophobicContact CD2-CE 3.82Å; F434-M445 HydrophobicContact CD2-CG 4.08Å; F434-M445 HydrophobicContact CD2-SD 4.3Å; F434-M445 HydrophobicContact CE1-CB 4.43Å; F434-M445 HydrophobicContact CE2-CE 3.77Å; F434-M445 HydrophobicContact CE2-SD 4.26Å; F434-M445 HydrophobicContact CG-CB 3.59Å; F434-M445 HydrophobicContact CG-CG 4.13Å
435V65.6Low61.1Low62 Ų6281.6 Ų81.638%0.37645%0.45SS..EExtended strand (participates in β ladder)trans-10297.4-175.4-176.80000110.1K426 T428 S437K426-V435 HydrophobicContact CB-CG1 3.69Å; K426-V435 HydrophobicContact CD-CG1 4.02Å; K426-V435 HydrophobicContact CG-CG1 3.99Å; T428-V435 HydrophobicContact CG2-CG2 4.25Å; V435-S437 PolarHBondContact O-N 3.33Å
436N67.6Low61.6Low0 Ų078.4 Ų78.40%043%0.427CS..EExtended strand (participates in β ladder)trans-68.9128.8-177.1-61.5-76.5000110.5K426 W427 F434 C443 E444K426-N436 VanDerWaalsContact CA-O 3.27Å; K426-N436 WeakPolarHBondContact CA-O 3.45Å; K426-N436 WeakPolarHBondContact CG-O 3.48Å; W427-N436 HydrophobicContact CD2-CB 4.32Å; W427-N436 HydrophobicContact CG-CB 4.28Å; W427-N436 HydrophobicContact CZ2-CB 4.49Å; W427-N436 WeakPolarHBondContact CZ2-ND2 3.4Å; W427-N436 PolarHBondContact N-O 3.36Å; W427-N436 PolarHBondContact O-N 2.95Å; W427-N436 PolarHBondContact O-ND2 3.15Å; F434-N436 WeakPolarHBondContact CD1-OD1 3.21Å; N436-C443 VanDerWaalsContact OD1-CA 3.29Å; N436-C443 WeakPolarHBondContact OD1-CA 3.5Å; N436-E444 PolarHBondContact OD1-N 2.9Å
437S59.6Low62Low62 Ų6276.4 Ų76.443%0.43443%0.43SS..SBendtrans-97.213.3-170.8-63.30000114.7K426 V435K426-S437 VanDerWaalsContact CE-OG 3.31Å; K426-S437 WeakPolarHBondContact CE-OG 3.21Å; V435-S437 PolarHBondContact O-N 3.33Å
438K56.8Low62Low141 Ų14177.8 Ų77.861%0.61344%0.441SS*.SBendtrans-145.6156177.5-66.1176.7-174.4165.50109.2S440K438-S440 PolarHBondContact O-N 2.79Å
439P57.6Low62.2Low135 Ų13577.8 Ų77.888%0.87744%0.442SS*.  trans-72.872173.431.6-35.9000111.4
440S58.3Low62.1Low43 Ų4380.9 Ų80.930%0.30146%0.463SS..  trans-95.2137.8167.61750000109.8W427 K438 V442W427-S440 WeakPolarHBondContact CZ2-O 3.34Å; W427-S440 PolarHBondContact NE1-O 3.3Å; K438-S440 PolarHBondContact O-N 2.79Å; S440-V442 WeakPolarHBondContact CB-O 3.28Å; S440-V442 PolarHBondContact O-N 2.91Å; S440-V442 PolarHBondContact OG-N 3.02Å; S440-V442 PolarHBondContact OG-O 3.23Å
441A63.4Low62.3Low79 Ų7980.9 Ų80.965%0.65346%0.461SS*.SBendtrans-71-13.8174.400000113.5P449 C450A441-P449 CarbonylContact O-C 3.47Å; A441-P449 VanDerWaalsContact O-CA 3.27Å; A441-P449 WeakPolarHBondContact O-CA 3.43Å; A441-C450 PolarHBondContact O-N 3.42Å
442V67.5Low61.9Low60 Ų6082.2 Ų82.236%0.36447%0.474SS..BIsolated β-bridgetrans-126.1150177.1-61.40000111.6S440 L448 P449S440-V442 WeakPolarHBondContact CB-O 3.28Å; S440-V442 PolarHBondContact O-N 2.91Å; S440-V442 PolarHBondContact OG-N 3.02Å; S440-V442 PolarHBondContact OG-O 3.23Å; V442-L448 CarbonylContact C-O 3.55Å; V442-L448 WeakPolarHBondContact CA-O 3.44Å; V442-P449 HydrophobicContact CG1-CB 4.32Å; V442-P449 HydrophobicContact CG1-CG 4.2Å
443C75.6Confident60.8Low1 Ų184.6 Ų84.61%0.00750%0.497CS..  trans-71.6130.8-178.6-179.10000112.6W427 C429 C432 N436 M445 C446 S447 L448W427-C443 HydrophobicContact CH2-CB 4.14Å; C429-C443 HydrophobicContact CB-CB 3.79Å; C429-C443 VanDerWaalsContact CB-SG 3.5Å; C432-C443 VanDerWaalsContact SG-SG 3.61Å; N436-C443 VanDerWaalsContact OD1-CA 3.29Å; N436-C443 WeakPolarHBondContact OD1-CA 3.5Å; C443-M445 PolarHBondContact O-N 3.42Å; C443-M445 VanDerWaalsContact O-N 3.17Å; C443-C446 PolarHBondContact O-N 3.31Å; C443-S447 VanDerWaalsContact O-CA 3.24Å; C443-S447 WeakPolarHBondContact O-CA 3.37Å; C443-S447 PolarHBondContact O-N 3.34Å; C443-L448 PolarHBondContact N-O 2.69Å
444E65.7Low60Low105 Ų10585.5 Ų85.549%0.49151%0.508SS..THydrogen-bonded Turntrans-61.8-23.5179.3-63.7177.7132.400113F434 N436F434-E444 HydrophobicContact CE1-CB 4.03Å; N436-E444 PolarHBondContact OD1-N 2.9Å
445M62.3Low58.6Low134 Ų13486 Ų8666%0.6653%0.531SS*.THydrogen-bonded Turntrans-99-17.9-173.3-150.269.6129.500114.7F434 C443F434-M445 HydrophobicContact CB-CB 3.79Å; F434-M445 HydrophobicContact CB-CG 4.37Å; F434-M445 HydrophobicContact CD1-CB 3.82Å; F434-M445 HydrophobicContact CD2-CB 4.03Å; F434-M445 HydrophobicContact CD2-CE 3.82Å; F434-M445 HydrophobicContact CD2-CG 4.08Å; F434-M445 HydrophobicContact CD2-SD 4.3Å; F434-M445 HydrophobicContact CE1-CB 4.43Å; F434-M445 HydrophobicContact CE2-CE 3.77Å; F434-M445 HydrophobicContact CE2-SD 4.26Å; F434-M445 HydrophobicContact CG-CB 3.59Å; F434-M445 HydrophobicContact CG-CG 4.13Å; C443-M445 PolarHBondContact O-N 3.42Å; C443-M445 VanDerWaalsContact O-N 3.17Å
446C64.9Low57Low44 Ų4489.8 Ų89.830%0.29755%0.553SS.*THydrogen-bonded Turntrans-141.6-0-179.271.30000115.1C432 C443 L448C432-C446 HydrophobicContact CB-CB 4.45Å; C432-C446 PolarHBondContact SG-SG 2.61Å; C443-C446 PolarHBondContact O-N 3.31Å; C446-L448 PolarHBondContact O-N 3.4Å; C446-L448 VanDerWaalsContact O-N 3.11Å
447S66.2Low55.1Low94 Ų9495.4 Ų95.466%0.65759%0.593SS**  trans60.113.4178.7-53.20000116.4C443C443-S447 VanDerWaalsContact O-CA 3.24Å; C443-S447 WeakPolarHBondContact O-CA 3.37Å; C443-S447 PolarHBondContact O-N 3.34Å
448L68.6Low53.5Low79 Ų7997 Ų9741%0.41461%0.61SS.*PPolyproline II helixtrans-89146.7179.2-66.3175.7000112.9F431 V442 C443 C446F431-L448 HydrophobicContact CB-CD1 4Å; F431-L448 HydrophobicContact CD2-CB 4.12Å; F431-L448 HydrophobicContact CD2-CD1 4.02Å; F431-L448 HydrophobicContact CG-CD1 3.94Å; V442-L448 CarbonylContact C-O 3.55Å; V442-L448 WeakPolarHBondContact CA-O 3.44Å; C443-L448 PolarHBondContact N-O 2.69Å; C446-L448 PolarHBondContact O-N 3.4Å; C446-L448 VanDerWaalsContact O-N 3.11Å
449P69.2Low52.7Low80 Ų8096.4 Ų96.452%0.51962%0.62SS.*BIsolated β-bridgetrans-73.4158.3-175.9-17.132.1000115.6A441 V442A441-P449 CarbonylContact O-C 3.47Å; A441-P449 VanDerWaalsContact O-CA 3.27Å; A441-P449 WeakPolarHBondContact O-CA 3.43Å; V442-P449 HydrophobicContact CG1-CB 4.32Å; V442-P449 HydrophobicContact CG1-CG 4.2Å
450C62.5Low51.1Low67 Ų6798.6 Ų98.645%0.45362%0.619SS.*PPolyproline II helixtrans-80.3137.7168.3-166.20000111.5W427 A441W427-C450 HydrophobicContact CE3-CB 4.17Å; W427-C450 HydrophobicContact CH2-CB 3.7Å; W427-C450 HydrophobicContact CZ2-CB 4.09Å; W427-C450 HydrophobicContact CZ3-CB 3.73Å; A441-C450 PolarHBondContact O-N 3.42Å
451K54.8Low50.3Low157 Ų157101.6 Ų101.668%0.68364%0.637SS**  trans-93.7112.1164.9-82.9-176.3171.1-176.50109.1
452D44.3Very low48.5Very low160 Ų160104.8 Ų104.886%0.85664%0.643SS**  177.7104.2129.8-90.1-18.8000110.5
453A36.1Very low46.5Very low100 Ų100108.8 Ų108.883%0.82666%0.657SS**SBendtrans-154.789.8168.900000108.6
454S34.3Very low44.2Very low131 Ų131115.6 Ų115.692%0.91669%0.689SS**  trans17.3118164.9-51.70000119.5
455G30.5Very low42.2Very low73 Ų73116.8 Ų116.875%0.75370%0.698SS**  trans-104.1-172.4169.900000114.1
456V30.3Very low40.5Very low140 Ų140116.7 Ų116.785%0.84870%0.7SS**  trans167.4120.7149.6149.30000109.2
457S28.9Very low38.7Very low119 Ų119121.7 Ų121.783%0.83272%0.719SS**  trans147.3147151.1-69.50000112.5
458A26.8Very low36.8Very low96 Ų96125.7 Ų125.779%0.79373%0.727SS**  trans-108.7176.317600000109.5
459P38Very low35.4Very low127 Ų127126.9 Ų126.983%0.82574%0.739SS**  cis-136.6-166.538.139.7-18.5000116.3
460Q26Very low33.3Very low182 Ų182130.6 Ų130.685%0.8575%0.754SS**  trans-75.5-174.7178.9-46.2172.6-47.400112.3
461P41.5Very low31.5Very low105 Ų105136.6 Ų136.668%0.68278%0.775SS**  cis-138.7-178.8-2.828-2.9000117.2
462L24.1Very low30.2Very low147 Ų147137.8 Ų137.877%0.7778%0.784SS**  trans76.9137.7147.2-80.8159.9000123.9
463Q26Very low30.1Very low143 Ų143135.5 Ų135.567%0.66878%0.777SS**  trans69.6116.2145.3-83.8172.3-57.100124.8
464Q26.9Very low30.3Very low144 Ų144135.5 Ų135.567%0.67377%0.769SS**  70123.9126.8-75.4176.4-76.500123.7
465L24.5Very low29.9Very low131 Ų131134.1 Ų134.169%0.68676%0.759SS**  trans67.4111.7131.8-62.6169.3000121.5
466L25.3Very low29.7Very low132 Ų132139.4 Ų139.469%0.69176%0.762SS**  70.4123.3128.7-60.6179.2000122.2
467Q28.8Very low29.6Very low149 Ų149138 Ų13870%0.69675%0.754SS**  trans72.4101.3131.1-65170.7300121.7
468Q25.2Very low29.7Very low177 Ų177140.3 Ų140.383%0.82775%0.749SS**  trans65.4177.2135.9-58.2-166.527.300118.1
469P39.8Very low29.7Very low105 Ų105142.9 Ų142.968%0.68274%0.744SS**  cis-124.5171.4-20.514.210.4000115.2
470L24.5Very low29.4Very low158 Ų158144.6 Ų144.683%0.82774%0.741SS**  trans3.2131.2145.9-56.8161.6000119.8
471Q25.6Very low30.2Very low192 Ų192141.9 Ų141.990%0.89774%0.74SS**  -177-176.1107.8-96.1175.229.800112.9
472Q26.3Very low29.8Very low183 Ų183143.2 Ų143.286%0.85574%0.741SS**  trans-109-145-165.2-62.9177.6-20.300113.4
473P43.6Very low30.2Very low111 Ų111144 Ų14472%0.72175%0.745SS**  -104.1-148.4-110.536.7-15.7000111.4
474P39Very low30.3Very low100 Ų100141 Ų14165%0.64975%0.752SS**  cis-147150.70.539.7-17000120.9
475S25.6Very low30.6Very low102 Ų102138.7 Ų138.771%0.71376%0.758SS**  trans71.5165.8136.1-62.50000123.5
476F26.8Very low31.2Very low185 Ų185142 Ų14281%0.81177%0.767SS**  trans81.8140170.8-55-74.7000116.7
477T29.1Very low32Very low111 Ų111141.6 Ų141.668%0.68177%0.772SS**  cis-152.3144.99.8-180000112.4
478K29.3Very low32.5Very low166 Ų166143.3 Ų143.372%0.72278%0.78SS**  trans57.2159.1149-87.1173.2165.7-128.40119
479E28.4Very low33.2Very low150 Ų150140.6 Ų140.670%0.70178%0.778SS**  cis-145.2172.1-3.7-149.1133.2-155.900110.1
480Q31.2Very low33.4Very low163 Ų163147.4 Ų147.476%0.76279%0.79SS**  trans-145152.5-175.2-156.6-165.4-14.600111.4
481P43Very low34.7Very low126 Ų126145.4 Ų145.482%0.81879%0.787SS**  trans-114.4163.3148-0.622.1000113.2
482D32.1Very low35.9Very low132 Ų132147.4 Ų147.471%0.70679%0.786SS**  trans-121.2171.1-159.5-176.130.4000113.2
483L32.3Very low37.2Very low165 Ų165142.3 Ų142.386%0.86478%0.775SS**  trans145.9115.6137.9-76.1172.2000113.1
484G29.4Very low37.8Very low78 Ų78143.4 Ų143.480%0.80478%0.775SS**  trans160106.6169.100000113.4
485A32.9Very low38.5Very low97 Ų97145.3 Ų145.380%0.80278%0.779SS**  trans-99.1138.8-163.900000116
486K37.5Very low39.9Very low200 Ų200144.7 Ų144.787%0.8777%0.767SS**  trans27.1156.4133.5-75.6176.9179.11700121.2
487P42.4Very low41.6Very low124 Ų124141.5 Ų141.581%0.80576%0.758SS**  cis-136.5-178.517.137.3-17.1000116.9
488Q37.6Very low43Very low184 Ų184143.4 Ų143.486%0.8676%0.757SS**  trans-130.8149.9167.2-105-165.6300111.7
489P41.6Very low44.8Very low121 Ų121143.3 Ų143.379%0.78675%0.752SS**PPolyproline II helixtrans-92.4173.4161.336.1-31.8000113.3
490R42.4Very low46.4Very low247 Ų247142.1 Ų142.193%0.93275%0.747SS**PPolyproline II helixtrans-98.7167.8-166-86.8-177.1176-175.7-1115.4
491P52.5Low48Very low117 Ų117140.5 Ų140.576%0.7674%0.737SS**PPolyproline II helixtrans-99.2169.6-150.638.4-38.3000117.7
492R49.6Very low49.2Very low234 Ų234137.5 Ų137.588%0.88372%0.716SS**  trans-105.47.8179.7-87.6-175.9171.6176.3-1.8116.3N494R492-N494 VanDerWaalsContact C-N 3.25Å; R492-N494 PolarHBondContact O-N 3.11Å
493A54.6Low50.7Low75 Ų75136.5 Ų136.562%0.6271%0.709SS**THydrogen-bonded Turntrans-61.96.4-152.700000120.3
494N55.4Low52.3Low135 Ų135137.6 Ų137.672%0.72270%0.701SS**Hα-helixtrans-89.3-35.7-174.8-149.6-73.7000113.9R492 K498R492-N494 VanDerWaalsContact C-N 3.25Å; R492-N494 PolarHBondContact O-N 3.11Å; N494-K498 PolarHBondContact O-N 2.8Å
495L54.5Low54.2Low140 Ų140138.5 Ų138.573%0.73369%0.685SS**Hα-helixtrans-71.5-43.6-177.3-72.8172.4000112.8L497 K498 R499L495-L497 VanDerWaalsContact C-N 3.29Å; L495-L497 PolarHBondContact O-N 3.34Å; L495-K498 PolarHBondContact O-N 3.38Å; L495-R499 PolarHBondContact O-N 3.03Å
496D55Low56.1Low88 Ų88138.5 Ų138.547%0.47167%0.671SS.*Hα-helixtrans-64.1-35.3179.3-66-64.7000112.1R499 Q500D496-R499 PolarHBondContact O-N 3.29Å; D496-Q500 WeakPolarHBondContact O-CB 3.22Å; D496-Q500 VanDerWaalsContact O-CG 3.28Å; D496-Q500 WeakPolarHBondContact O-CG 3.34Å; D496-Q500 PolarHBondContact O-N 3.43Å
497L62.5Low57.6Low119 Ų119130.3 Ų130.362%0.62364%0.643SS**Hα-helixtrans-65.4-39.6176.1-158.275.8000111.6L495 K501L495-L497 VanDerWaalsContact C-N 3.29Å; L495-L497 PolarHBondContact O-N 3.34Å; L497-K501 WeakPolarHBondContact O-CB 3.33Å; L497-K501 PolarHBondContact O-N 3.29Å
498K59.1Low59Low150 Ų150129.4 Ų129.465%0.65263%0.631SS**Hα-helixtrans-66.7-43.3174.4-166.8174.5-176.9179.80111.3N494 L495 K501 T502N494-K498 PolarHBondContact O-N 2.8Å; L495-K498 PolarHBondContact O-N 3.38Å; K498-K501 PolarHBondContact O-N 3.44Å; K498-T502 PolarHBondContact O-N 3.46Å; K498-T502 PolarHBondContact O-OG1 2.77Å
499R65.6Low60.7Low164 Ų164123.1 Ų123.162%0.61961%0.611SS**Hα-helixtrans-61.9-45.5175.7-177.8-178.9173.4-139.4-3.2112.2L495 D496 K501 T502 M503L495-R499 PolarHBondContact O-N 3.03Å; D496-R499 PolarHBondContact O-N 3.29Å; R499-K501 VanDerWaalsContact C-N 3.31Å; R499-K501 PolarHBondContact O-N 3.39Å; R499-T502 PolarHBondContact O-N 3.32Å; R499-M503 HydrophobicContact CG-CG 4.48Å; R499-M503 HydrophobicContact CG-SD 4.02Å; R499-M503 WeakPolarHBondContact O-CB 3.47Å; R499-M503 WeakPolarHBondContact O-CG 3.4Å; R499-M503 PolarHBondContact O-N 2.77Å
500Q62.4Low62.3Low126 Ų126120.2 Ų120.259%0.58959%0.589SS**Hα-helixtrans-62.5-38.1175.9-76.6176.9-0.100111.9D496 R504D496-Q500 WeakPolarHBondContact O-CB 3.22Å; D496-Q500 VanDerWaalsContact O-CG 3.28Å; D496-Q500 WeakPolarHBondContact O-CG 3.34Å; D496-Q500 PolarHBondContact O-N 3.43Å; Q500-R504 WeakPolarHBondContact O-CB 3.37Å; Q500-R504 PolarHBondContact O-N 3.32Å
501K66.4Low63.9Low129 Ų129112.2 Ų112.256%0.56156%0.563SS**Hα-helixtrans-62.7-51.9174.7-178.3172.7171.9177.10111.3L497 K498 R499 M503 R504 E505L497-K501 WeakPolarHBondContact O-CB 3.33Å; L497-K501 PolarHBondContact O-N 3.29Å; K498-K501 PolarHBondContact O-N 3.44Å; R499-K501 VanDerWaalsContact C-N 3.31Å; R499-K501 PolarHBondContact O-N 3.39Å; K501-M503 PolarHBondContact O-N 2.97Å; K501-R504 WeakPolarHBondContact O-CB 3.34Å; K501-R504 PolarHBondContact O-N 3.2Å; K501-R504 VanDerWaalsContact O-N 3.1Å; K501-E505 VanDerWaalsContact CE-CD 3.47Å; K501-E505 WeakPolarHBondContact CE-OE1 3.41Å; K501-E505 HydrophobicContact CG-CG 4.5Å; K501-E505 IonicContact NZ-OE1 3.86Å; K501-E505 WeakPolarHBondContact O-CG 3.36Å; K501-E505 PolarHBondContact O-N 3.16Å
502T67.1Low65Low63 Ų63112.3 Ų112.339%0.38755%0.553SS.*Hα-helixtrans-59.6-47.4177.5-56.60000111.8K498 R499 R504 E505 D506K498-T502 PolarHBondContact O-N 3.46Å; K498-T502 PolarHBondContact O-OG1 2.77Å; R499-T502 PolarHBondContact O-N 3.32Å; T502-R504 PolarHBondContact O-N 3.03Å; T502-R504 VanDerWaalsContact O-N 3.16Å; T502-E505 PolarHBondContact O-N 3.35Å; T502-D506 WeakPolarHBondContact O-CB 3.15Å; T502-D506 PolarHBondContact O-N 3.15Å
503M63.2Low66.2Low110 Ų110104.6 Ų104.654%0.54253%0.528SS..Hα-helixtrans-59.6-29.4176.1-7217864.200113.7R499 K501 G507R499-M503 HydrophobicContact CG-CG 4.48Å; R499-M503 HydrophobicContact CG-SD 4.02Å; R499-M503 WeakPolarHBondContact O-CB 3.47Å; R499-M503 WeakPolarHBondContact O-CG 3.4Å; R499-M503 PolarHBondContact O-N 2.77Å; K501-M503 PolarHBondContact O-N 2.97Å; M503-G507 PolarHBondContact O-N 3.32Å
504R66.5Low67.3Low188 Ų188102.8 Ų102.871%0.70951%0.507SS*.Hα-helixtrans-77.1-36.9174.8-175.6176.4-177.6164.31.8112.1Q500 K501 T502 L508Q500-R504 WeakPolarHBondContact O-CB 3.37Å; Q500-R504 PolarHBondContact O-N 3.32Å; K501-R504 WeakPolarHBondContact O-CB 3.34Å; K501-R504 PolarHBondContact O-N 3.2Å; K501-R504 VanDerWaalsContact O-N 3.1Å; T502-R504 PolarHBondContact O-N 3.03Å; T502-R504 VanDerWaalsContact O-N 3.16Å; R504-L508 HydrophobicContact CG-CD1 4.28Å; R504-L508 WeakPolarHBondContact O-CB 3.49Å; R504-L508 WeakPolarHBondContact O-CD1 3.49Å; R504-L508 VanDerWaalsContact O-CG 3.23Å; R504-L508 WeakPolarHBondContact O-CG 3.37Å; R504-L508 PolarHBondContact O-N 2.88Å
505E70.1Confident68.3Low97 Ų97104 Ų10445%0.45350%0.501SS..Hα-helixtrans-69.2-47.7176.5-70.8168.7154.300110.5K501 T502 G507 L508 A509K501-E505 VanDerWaalsContact CE-CD 3.47Å; K501-E505 WeakPolarHBondContact CE-OE1 3.41Å; K501-E505 HydrophobicContact CG-CG 4.5Å; K501-E505 IonicContact NZ-OE1 3.86Å; K501-E505 WeakPolarHBondContact O-CG 3.36Å; K501-E505 PolarHBondContact O-N 3.16Å; T502-E505 PolarHBondContact O-N 3.35Å; E505-G507 PolarHBondContact O-N 3.15Å; E505-L508 PolarHBondContact O-N 2.92Å; E505-A509 PolarHBondContact O-N 3.37Å
506D71.6Confident69.5Low97 Ų97100.6 Ų100.652%0.51948%0.482SS..Hα-helixtrans-58.8-45173.2-60.4-23.8000111.6T502 L508 A509 L510T502-D506 WeakPolarHBondContact O-CB 3.15Å; T502-D506 PolarHBondContact O-N 3.15Å; D506-L508 PolarHBondContact O-N 2.99Å; D506-A509 PolarHBondContact O-N 2.68Å; D506-L510 PolarHBondContact O-N 3.19Å
507G68.9Low70.7Confident28 Ų2896.4 Ų96.429%0.28946%0.46SS..Hα-helixtrans-64.2-37.5178.500000113.3M503 E505 I511M503-G507 PolarHBondContact O-N 3.32Å; E505-G507 PolarHBondContact O-N 3.15Å; G507-I511 WeakPolarHBondContact O-CD1 3.38Å; G507-I511 VanDerWaalsContact O-CG1 3.24Å; G507-I511 WeakPolarHBondContact O-CG1 3.49Å; G507-I511 PolarHBondContact O-N 3.3Å
508L72.7Confident71.5Confident105 Ų10596 Ų9655%0.5545%0.454SS..Hα-helixtrans-70.3-37.6174.2-74.7168.8000112R504 E505 D506 I511 H512R504-L508 HydrophobicContact CG-CD1 4.28Å; R504-L508 WeakPolarHBondContact O-CB 3.49Å; R504-L508 WeakPolarHBondContact O-CD1 3.49Å; R504-L508 VanDerWaalsContact O-CG 3.23Å; R504-L508 WeakPolarHBondContact O-CG 3.37Å; R504-L508 PolarHBondContact O-N 2.88Å; E505-L508 PolarHBondContact O-N 2.92Å; D506-L508 PolarHBondContact O-N 2.99Å; L508-I511 PolarHBondContact O-N 3.18Å; L508-H512 PolarHBondContact O-N 3.36Å
509A73.9Confident72.5Confident53 Ų5396 Ų9644%0.43846%0.455SS..Hα-helixtrans-63.1-43.517400000111.7E505 D506 H512 Q513E505-A509 PolarHBondContact O-N 3.37Å; D506-A509 PolarHBondContact O-N 2.68Å; A509-H512 WeakPolarHBondContact O-CB 3.44Å; A509-H512 PolarHBondContact O-N 2.84Å; A509-Q513 WeakPolarHBondContact O-CG 3.33Å; A509-Q513 PolarHBondContact O-N 3.08Å
510L75.3Confident73.3Confident59 Ų5993.8 Ų93.831%0.30945%0.446SS..Hα-helixtrans-63-43.9175.1179.460000112.1D506 H512 Q513 I514 L531D506-L510 PolarHBondContact O-N 3.19Å; L510-H512 VanDerWaalsContact C-N 3.28Å; L510-H512 PolarHBondContact O-N 2.92Å; L510-Q513 PolarHBondContact O-N 3.36Å; L510-I514 HydrophobicContact CD1-CD1 4Å; L510-I514 HydrophobicContact CD1-CG1 4.24Å; L510-I514 HydrophobicContact CG-CD1 3.93Å; L510-I514 WeakPolarHBondContact O-CG1 3.48Å; L510-I514 PolarHBondContact O-N 2.97Å; L510-L531 HydrophobicContact CD1-CD1 3.48Å; L510-L531 VanDerWaalsContact CD1-CD1 3.48Å
511I74.9Confident74Confident79 Ų7991 Ų9141%0.40545%0.452SS..Hα-helixtrans-61.6-37175.6-71.4164.5000111.3G507 L508 R515G507-I511 WeakPolarHBondContact O-CD1 3.38Å; G507-I511 VanDerWaalsContact O-CG1 3.24Å; G507-I511 WeakPolarHBondContact O-CG1 3.49Å; G507-I511 PolarHBondContact O-N 3.3Å; L508-I511 PolarHBondContact O-N 3.18Å; I511-R515 WeakPolarHBondContact O-CB 3.5Å; I511-R515 VanDerWaalsContact O-CG 3.3Å; I511-R515 WeakPolarHBondContact O-CG 3.45Å; I511-R515 PolarHBondContact O-N 3.12Å; I511-R515 VanDerWaalsContact O-N 3.11Å
512H75.2Confident74.8Confident119 Ų11986 Ų8655%0.55143%0.432SS*.Hα-helixtrans-65.9-44.4174-170.4-55000111.7L508 A509 L510 R515 E516L508-H512 PolarHBondContact O-N 3.36Å; A509-H512 WeakPolarHBondContact O-CB 3.44Å; A509-H512 PolarHBondContact O-N 2.84Å; L510-H512 VanDerWaalsContact C-N 3.28Å; L510-H512 PolarHBondContact O-N 2.92Å; H512-R515 PolarHBondContact O-N 3.12Å; H512-E516 PolarHBondContact O-N 3.3Å; H512-E516 VanDerWaalsContact O-N 3.08Å
513Q74.9Confident75.5Confident73 Ų7384.5 Ų84.534%0.34142%0.424SS..Hα-helixtrans-63.2-43178.4-73.3172.7-14.400112.2A509 L510 E516 A517 V527A509-Q513 WeakPolarHBondContact O-CG 3.33Å; A509-Q513 PolarHBondContact O-N 3.08Å; L510-Q513 PolarHBondContact O-N 3.36Å; Q513-E516 PolarHBondContact O-N 3.36Å; Q513-A517 WeakPolarHBondContact O-CB 3.4Å; Q513-A517 PolarHBondContact O-N 2.9Å; Q513-V527 HydrophobicContact CB-CG1 4.47Å
514I78.1Confident76.3Confident37 Ų3781.5 Ų81.519%0.1941%0.413CS..Hα-helixtrans-61.9-44.6176.2-67.7166.9000110.7L510 E516 A517 E518 P524 V527L510-I514 HydrophobicContact CD1-CD1 4Å; L510-I514 HydrophobicContact CD1-CG1 4.24Å; L510-I514 HydrophobicContact CG-CD1 3.93Å; L510-I514 WeakPolarHBondContact O-CG1 3.48Å; L510-I514 PolarHBondContact O-N 2.97Å; I514-E516 VanDerWaalsContact C-N 3.35Å; I514-E516 PolarHBondContact O-N 3.14Å; I514-A517 WeakPolarHBondContact O-CB 3.46Å; I514-A517 PolarHBondContact O-N 3.12Å; I514-A517 VanDerWaalsContact O-N 3.09Å; I514-E518 HydrophobicContact CG2-CG 4.22Å; I514-E518 WeakPolarHBondContact O-CG 3.11Å; I514-E518 PolarHBondContact O-N 2.93Å; I514-P524 HydrophobicContact CD1-CB 4.43Å; I514-P524 HydrophobicContact CG2-CB 4.09Å; I514-P524 HydrophobicContact CG2-CG 3.93Å; I514-V527 HydrophobicContact CG1-CG1 4.32Å
515R75.9Confident77.1Confident159 Ų15977.9 Ų77.960%0.640%0.404SS*.Hα-helixtrans-64.8-33.2178.5-74.2172.4176.1-176.5-1.2114.1I511 H512 K519I511-R515 WeakPolarHBondContact O-CB 3.5Å; I511-R515 VanDerWaalsContact O-CG 3.3Å; I511-R515 WeakPolarHBondContact O-CG 3.45Å; I511-R515 PolarHBondContact O-N 3.12Å; I511-R515 VanDerWaalsContact O-N 3.11Å; H512-R515 PolarHBondContact O-N 3.12Å; R515-K519 WeakPolarHBondContact O-CG 3.22Å; R515-K519 PolarHBondContact O-N 2.85Å
516E80Confident77.7Confident70 Ų7074.6 Ų74.633%0.32739%0.388SS..Hα-helixtrans-75-28.2172.4-64.8-49.5122.800112.6H512 Q513 I514 K519 R520H512-E516 PolarHBondContact O-N 3.3Å; H512-E516 VanDerWaalsContact O-N 3.08Å; Q513-E516 PolarHBondContact O-N 3.36Å; I514-E516 VanDerWaalsContact C-N 3.35Å; I514-E516 PolarHBondContact O-N 3.14Å; E516-K519 VanDerWaalsContact CD-NZ 3.27Å; E516-K519 IonicContact OE1-NZ 3.01Å; E516-K519 PolarHBondContact OE1-NZ 2.97Å; E516-K519 IonicContact OE2-NZ 2.84Å; E516-K519 PolarHBondContact OE2-NZ 3.12Å; E516-K519 VanDerWaalsContact OE2-NZ 3.1Å; E516-R520 WeakPolarHBondContact O-CG 3.29Å
517A79.9Confident78.2Confident0 Ų070 Ų700%036%0.364CS..Hα-helixtrans-73.1-41.817400000112.5Q513 I514 K519 R520 G521 V522 V527Q513-A517 WeakPolarHBondContact O-CB 3.4Å; Q513-A517 PolarHBondContact O-N 2.9Å; I514-A517 WeakPolarHBondContact O-CB 3.46Å; I514-A517 PolarHBondContact O-N 3.12Å; I514-A517 VanDerWaalsContact O-N 3.09Å; A517-K519 VanDerWaalsContact C-N 3.31Å; A517-K519 PolarHBondContact O-N 3.16Å; A517-R520 CarbonylContact O-C 3.58Å; A517-R520 VanDerWaalsContact O-CA 3.32Å; A517-R520 WeakPolarHBondContact O-CA 3.44Å; A517-R520 WeakPolarHBondContact O-CB 3.37Å; A517-R520 PolarHBondContact O-N 3.37Å; A517-G521 PolarHBondContact O-N 3.2Å; A517-G521 VanDerWaalsContact O-N 3.1Å; A517-V522 CarbonylContact C-O 3.48Å; A517-V522 HydrophobicContact CB-CB 4.01Å; A517-V522 HydrophobicContact CB-CG1 4.16Å; A517-V522 PolarHBondContact O-N 3.44Å; A517-V527 HydrophobicContact CB-CG2 3.2Å
518E79.6Confident78.8Confident109 Ų10975.9 Ų75.951%0.50938%0.378SS..Hα-helixtrans-58-42.4175.3-74.3170.7156.100111.2I514 R520 G521I514-E518 HydrophobicContact CG2-CG 4.22Å; I514-E518 WeakPolarHBondContact O-CG 3.11Å; I514-E518 PolarHBondContact O-N 2.93Å; E518-R520 PolarHBondContact O-N 3.27Å; E518-G521 PolarHBondContact O-N 2.88Å
519K80.8Confident79.4Confident152 Ų15270.9 Ų70.966%0.66135%0.353SS*.THydrogen-bonded Turntrans-59.4-24.3171.8-71.1172.4-174.7173.80113.9R515 E516 A517R515-K519 WeakPolarHBondContact O-CG 3.22Å; R515-K519 PolarHBondContact O-N 2.85Å; E516-K519 VanDerWaalsContact CD-NZ 3.27Å; E516-K519 IonicContact OE1-NZ 3.01Å; E516-K519 PolarHBondContact OE1-NZ 2.97Å; E516-K519 IonicContact OE2-NZ 2.84Å; E516-K519 PolarHBondContact OE2-NZ 3.12Å; E516-K519 VanDerWaalsContact OE2-NZ 3.1Å; A517-K519 VanDerWaalsContact C-N 3.31Å; A517-K519 PolarHBondContact O-N 3.16Å
520R81.1Confident79.8Confident116 Ų11668.4 Ų68.444%0.43833%0.332SS..THydrogen-bonded Turntrans-98.34.2178.1-67.6175.261.4159-3.9112.9E516 A517 E518 V522 C542 D543E516-R520 WeakPolarHBondContact O-CG 3.29Å; A517-R520 CarbonylContact O-C 3.58Å; A517-R520 VanDerWaalsContact O-CA 3.32Å; A517-R520 WeakPolarHBondContact O-CA 3.44Å; A517-R520 WeakPolarHBondContact O-CB 3.37Å; A517-R520 PolarHBondContact O-N 3.37Å; E518-R520 PolarHBondContact O-N 3.27Å; R520-V522 VanDerWaalsContact C-N 3.33Å; R520-V522 HydrophobicContact CB-CG2 4.42Å; R520-C542 VanDerWaalsContact CZ-CB 3.43Å; R520-C542 PolarHBondContact NH2-O 3.02Å; R520-D543 IonicContact CZ-OD1 2.69Å; R520-D543 IonicContact NH1-OD1 3.18Å; R520-D543 PolarHBondContact NH1-OD1 3.05Å; R520-D543 IonicContact NH1-OD2 3.65Å; R520-D543 IonicContact NH2-OD1 3.84Å; R520-D543 PolarHBondContact NH2-OD1 3.27Å
521G77.7Confident80Confident69 Ų6968.3 Ų68.371%0.71133%0.331SS*.THydrogen-bonded Turntrans74.218.5-178.700000114.8A517 E518A517-G521 PolarHBondContact O-N 3.2Å; A517-G521 VanDerWaalsContact O-N 3.1Å; E518-G521 PolarHBondContact O-N 2.88Å
522V82.6Confident79.7Confident22 Ų2267.5 Ų67.513%0.13333%0.333CS..  trans-99.1135.4-179.5173.90000109.7A517 R520 E526 V527 L545A517-V522 CarbonylContact C-O 3.48Å; A517-V522 HydrophobicContact CB-CB 4.01Å; A517-V522 HydrophobicContact CB-CG1 4.16Å; A517-V522 PolarHBondContact O-N 3.44Å; R520-V522 VanDerWaalsContact C-N 3.33Å; R520-V522 HydrophobicContact CB-CG2 4.42Å; V522-E526 HydrophobicContact CG1-CB 3.84Å; V522-V527 HydrophobicContact CG1-CG2 3.97Å; V522-L545 HydrophobicContact CG1-CD1 3.52Å
523S82.8Confident79.5Confident33 Ų3365.3 Ų65.323%0.23132%0.323CS..  trans-78.9154-174.2106.80000113.3E525 E526 V527S523-E525 WeakPolarHBondContact CB-OE2 3.39Å; S523-E525 PolarHBondContact O-N 3.47Å; S523-E525 PolarHBondContact OG-N 3.16Å; S523-E525 PolarHBondContact OG-OE2 3.05Å; S523-E526 PolarHBondContact N-OE2 2.91Å; S523-E526 WeakPolarHBondContact O-CB 3.24Å; S523-E526 PolarHBondContact O-N 3.41Å; S523-E526 VanDerWaalsContact O-N 3.08Å; S523-E526 PolarHBondContact OG-N 2.8Å; S523-V527 WeakPolarHBondContact O-CG2 3.45Å; S523-V527 PolarHBondContact O-N 3.32Å
524P79.1Confident79.4Confident46 Ų4662.4 Ų62.430%0.29931%0.311SS..Hα-helixtrans-56.6-34.5174.7-24.434.1000113.5I514 Y528I514-P524 HydrophobicContact CD1-CB 4.43Å; I514-P524 HydrophobicContact CG2-CB 4.09Å; I514-P524 HydrophobicContact CG2-CG 3.93Å; P524-Y528 VanDerWaalsContact O-CB 3.28Å; P524-Y528 WeakPolarHBondContact O-CB 3.4Å; P524-Y528 PolarHBondContact O-N 3.23Å
525E83.4Confident78.4Confident113 Ų11362.7 Ų62.753%0.52832%0.323SS..Hα-helixtrans-68.8-38.2176.4-57.773.1-160.500111.9S523 Y528 A529 L606S523-E525 WeakPolarHBondContact CB-OE2 3.39Å; S523-E525 PolarHBondContact O-N 3.47Å; S523-E525 PolarHBondContact OG-N 3.16Å; S523-E525 PolarHBondContact OG-OE2 3.05Å; E525-Y528 PolarHBondContact O-N 3.48Å; E525-A529 VanDerWaalsContact O-CB 3.26Å; E525-A529 WeakPolarHBondContact O-CB 3.39Å; E525-A529 PolarHBondContact O-N 2.9Å; E525-L606 HydrophobicContact CB-CD2 4.32Å
526E83.8Confident77.4Confident27 Ų2762 Ų6213%0.12634%0.343CS..Hα-helixtrans-65.3-45.8174.6-64.7179.2121.100111.1V522 S523 Y528 A529 A530 L545 K602 L606V522-E526 HydrophobicContact CG1-CB 3.84Å; S523-E526 PolarHBondContact N-OE2 2.91Å; S523-E526 WeakPolarHBondContact O-CB 3.24Å; S523-E526 PolarHBondContact O-N 3.41Å; S523-E526 VanDerWaalsContact O-N 3.08Å; S523-E526 PolarHBondContact OG-N 2.8Å; E526-Y528 PolarHBondContact O-N 2.95Å; E526-A529 PolarHBondContact O-N 2.66Å; E526-A530 VanDerWaalsContact O-CB 3.26Å; E526-A530 WeakPolarHBondContact O-CB 3.41Å; E526-A530 PolarHBondContact O-N 3.25Å; E526-L545 HydrophobicContact CB-CD1 3.93Å; E526-L545 HydrophobicContact CB-CD2 4.15Å; E526-K602 WeakPolarHBondContact OE1-CE 3.4Å; E526-K602 IonicContact OE1-NZ 3.47Å; E526-K602 PolarHBondContact OE1-NZ 3.18Å; E526-L606 HydrophobicContact CB-CD2 4.37Å; E526-L606 HydrophobicContact CG-CD1 4.27Å; E526-L606 HydrophobicContact CG-CD2 3.89Å
527V82Confident76.3Confident1 Ų162 Ų621%0.00635%0.35CS..Hα-helixtrans-58.8-47.6174.3179.10000110.7Q513 I514 A517 V522 S523 A530 L531 P541Q513-V527 HydrophobicContact CB-CG1 4.47Å; I514-V527 HydrophobicContact CG1-CG1 4.32Å; A517-V527 HydrophobicContact CB-CG2 3.2Å; V522-V527 HydrophobicContact CG1-CG2 3.97Å; S523-V527 WeakPolarHBondContact O-CG2 3.45Å; S523-V527 PolarHBondContact O-N 3.32Å; V527-A530 PolarHBondContact O-N 2.7Å; V527-L531 HydrophobicContact CG1-CD1 3.92Å; V527-L531 HydrophobicContact CG1-CG 4.36Å; V527-L531 WeakPolarHBondContact O-CB 3.45Å; V527-L531 VanDerWaalsContact O-CG 3.3Å; V527-L531 WeakPolarHBondContact O-CG 3.29Å; V527-L531 PolarHBondContact O-N 3.47Å; V527-P541 HydrophobicContact CG1-CB 4.46Å
528Y81.8Confident75.4Confident151 Ų15168.5 Ų68.559%0.59240%0.396SS*.Hα-helixtrans-63.6-42.6-179.2-175.6-97.9000112.4P524 E525 E526P524-Y528 VanDerWaalsContact O-CB 3.28Å; P524-Y528 WeakPolarHBondContact O-CB 3.4Å; P524-Y528 PolarHBondContact O-N 3.23Å; E525-Y528 PolarHBondContact O-N 3.48Å; E526-Y528 PolarHBondContact O-N 2.95Å
529A84.2Confident75Confident1 Ų167.6 Ų67.61%0.00839%0.394CS..Hα-helixtrans-65.9-41.7175.400000111.9E525 E526 S532 W605 L606E525-A529 VanDerWaalsContact O-CB 3.26Å; E525-A529 WeakPolarHBondContact O-CB 3.39Å; E525-A529 PolarHBondContact O-N 2.9Å; E526-A529 PolarHBondContact O-N 2.66Å; A529-S532 PolarHBondContact O-N 3.24Å; A529-S532 PolarHBondContact O-OG 2.94Å; A529-W605 HydrophobicContact CB-CD2 4.45Å; A529-W605 HydrophobicContact CB-CE3 4.13Å; A529-W605 HydrophobicContact CB-CH2 3.39Å; A529-W605 HydrophobicContact CB-CZ2 3.75Å; A529-W605 HydrophobicContact CB-CZ3 3.61Å; A529-L606 HydrophobicContact CB-CD2 3.99Å
530A83.3Confident74.9Confident0 Ų063.6 Ų63.60%038%0.38CS..Hα-helixtrans-66.7-37.3176.700000113.3E526 V527 S532 M533 C534 P541 W544 L545 W605E526-A530 VanDerWaalsContact O-CB 3.26Å; E526-A530 WeakPolarHBondContact O-CB 3.41Å; E526-A530 PolarHBondContact O-N 3.25Å; V527-A530 PolarHBondContact O-N 2.7Å; A530-S532 PolarHBondContact O-N 2.75Å; A530-M533 CarbonylContact O-C 3.47Å; A530-M533 WeakPolarHBondContact O-CA 3.45Å; A530-M533 PolarHBondContact O-N 3.27Å; A530-C534 PolarHBondContact O-N 3.07Å; A530-C534 PolarHBondContact O-SG 3.04Å; A530-P541 HydrophobicContact CB-CB 4.03Å; A530-W544 HydrophobicContact CB-CE3 3.61Å; A530-W544 HydrophobicContact CB-CZ3 3.83Å; A530-L545 HydrophobicContact CB-CD1 3.85Å; A530-L545 HydrophobicContact CB-CD2 3.85Å; A530-L545 HydrophobicContact CB-CG 3.63Å; A530-W605 HydrophobicContact CB-CH2 4.47Å
531L78Confident74.8Confident57 Ų5758.4 Ų58.430%0.29836%0.361SS..Hα-helixtrans-58.4-30.6175.8-82.3167.4000112.9L510 V527 M533 P541L510-L531 HydrophobicContact CD1-CD1 3.48Å; L510-L531 VanDerWaalsContact CD1-CD1 3.48Å; V527-L531 HydrophobicContact CG1-CD1 3.92Å; V527-L531 HydrophobicContact CG1-CG 4.36Å; V527-L531 WeakPolarHBondContact O-CB 3.45Å; V527-L531 VanDerWaalsContact O-CG 3.3Å; V527-L531 WeakPolarHBondContact O-CG 3.29Å; V527-L531 PolarHBondContact O-N 3.47Å; L531-M533 VanDerWaalsContact C-N 3.25Å; L531-M533 PolarHBondContact O-N 2.9Å; L531-P541 HydrophobicContact CD2-CG 3.6Å; L531-P541 HydrophobicContact CG-CG 3.9Å
532S70.2Confident74.8Confident62 Ų6255.2 Ų55.243%0.43433%0.327SS..THydrogen-bonded Turntrans-68.5-24.2173.578.90000113.5A529 A530A529-S532 PolarHBondContact O-N 3.24Å; A529-S532 PolarHBondContact O-OG 2.94Å; A530-S532 PolarHBondContact O-N 2.75Å
533M71.1Confident74.8Confident73 Ų7357.5 Ų57.536%0.3634%0.339SS..THydrogen-bonded Turntrans-99-27-177.5-60.2-69.598.800113A530 L531 G535 W544 W605 G610A530-M533 CarbonylContact O-C 3.47Å; A530-M533 WeakPolarHBondContact O-CA 3.45Å; A530-M533 PolarHBondContact O-N 3.27Å; L531-M533 VanDerWaalsContact C-N 3.25Å; L531-M533 PolarHBondContact O-N 2.9Å; M533-G535 PolarHBondContact O-N 3.12Å; M533-W544 HydrophobicContact CB-CH2 3.72Å; M533-W544 HydrophobicContact CB-CZ2 3.48Å; M533-W544 VanDerWaalsContact CB-CZ2 3.48Å; M533-W544 HydrophobicContact CB-CZ3 4.41Å; M533-W544 HydrophobicContact CG-CH2 3.75Å; M533-W544 HydrophobicContact CG-CZ2 3.91Å; M533-W605 HydrophobicContact CG-CZ2 4.37Å; M533-G610 WeakPolarHBondContact CE-O 3.37Å
534C72.6Confident75Confident13 Ų1357.3 Ų57.39%0.08833%0.333CS..SBendtrans-7419.3179.2-620000114.3A530 S536 S537A530-C534 PolarHBondContact O-N 3.07Å; A530-C534 PolarHBondContact O-SG 3.04Å; C534-S536 PolarHBondContact O-N 2.75Å; C534-S537 PolarHBondContact O-N 3.12Å
535G57.5Low75.2Confident43 Ų4356 Ų5644%0.44332%0.323SS..THydrogen-bonded Turntrans-51.3121.2-167.700000113.9M533 S537M533-G535 PolarHBondContact O-N 3.12Å; G535-S537 PolarHBondContact O-N 3.46Å; G535-S537 PolarHBondContact O-OG 3.29Å
536S53.9Low75.2Confident143 Ų14355.1 Ų55.1100%133%0.326SS*.THydrogen-bonded Turntrans55.78.5178.6510000116.9C534C534-S536 PolarHBondContact O-N 2.75Å
537S58Low75.2Confident70 Ų7056.7 Ų56.749%0.4934%0.34SS..  trans-98.9139.2-179.7-62.20000110.6C534 G535 I539C534-S537 PolarHBondContact O-N 3.12Å; G535-S537 PolarHBondContact O-N 3.46Å; G535-S537 PolarHBondContact O-OG 3.29Å; S537-I539 PolarHBondContact O-N 2.83Å
538S59.3Low75.3Confident137 Ų13760.9 Ų60.996%0.95836%0.36SS*.SBendtrans-77.638.1-178.4-170.90000113.5
539I72.5Confident75.7Confident90 Ų9054 Ų5446%0.46233%0.333SS..  trans-106.4132.9-177.2-56.5176.2000108.2S537 W544S537-I539 PolarHBondContact O-N 2.83Å; I539-W544 HydrophobicContact CG2-CB 4.08Å
540N78Confident75.9Confident69 Ų6956 Ų5637%0.36935%0.346SS..  trans-70131.5175.7-177.2-31.5000109.8C542 D543 W544N540-C542 PolarHBondContact O-N 3.23Å; N540-C542 VanDerWaalsContact O-N 3.07Å; N540-C542 WeakPolarHBondContact OD1-CB 3.37Å; N540-C542 PolarHBondContact OD1-N 2.83Å; N540-C542 PolarHBondContact OD1-SG 3.45Å; N540-C542 VanDerWaalsContact OD1-SG 3.41Å; N540-D543 HydrophobicContact CB-CB 4.46Å; N540-D543 WeakPolarHBondContact CB-OD2 3.13Å; N540-D543 PolarHBondContact O-N 2.89Å; N540-W544 PolarHBondContact O-N 3.34Å; N540-W544 VanDerWaalsContact O-N 3.11Å
541P78.4Confident76.1Confident6 Ų662.2 Ų62.24%0.03938%0.375CS..Hα-helixtrans-50.6-34.6177.4-29.435.4000114.2V527 A530 L531 D543 L545V527-P541 HydrophobicContact CG1-CB 4.46Å; A530-P541 HydrophobicContact CB-CB 4.03Å; L531-P541 HydrophobicContact CD2-CG 3.6Å; L531-P541 HydrophobicContact CG-CG 3.9Å; P541-D543 VanDerWaalsContact C-N 3.33Å; P541-D543 PolarHBondContact O-N 3.33Å; P541-L545 VanDerWaalsContact O-CB 3.3Å; P541-L545 WeakPolarHBondContact O-CB 3.42Å; P541-L545 WeakPolarHBondContact O-CD1 3.37Å; P541-L545 WeakPolarHBondContact O-CG 3.32Å; P541-L545 PolarHBondContact O-N 3.29Å
542C79.4Confident76.7Confident2 Ų260.4 Ų60.41%0.01437%0.365CS..Hα-helixtrans-68.7-31.2179.4-52.80000113R520 N540 T546R520-C542 VanDerWaalsContact CZ-CB 3.43Å; R520-C542 PolarHBondContact NH2-O 3.02Å; N540-C542 PolarHBondContact O-N 3.23Å; N540-C542 VanDerWaalsContact O-N 3.07Å; N540-C542 WeakPolarHBondContact OD1-CB 3.37Å; N540-C542 PolarHBondContact OD1-N 2.83Å; N540-C542 PolarHBondContact OD1-SG 3.45Å; N540-C542 VanDerWaalsContact OD1-SG 3.41Å; C542-T546 PolarHBondContact O-N 3.01Å; C542-T546 PolarHBondContact O-OG1 3.03Å
543D82.2Confident77.6Confident71 Ų7157.9 Ų57.938%0.3835%0.347SS..Hα-helixtrans-80.2-41.8178.5-60.9-34.6000110R520 N540 P541 L545 T546 S547R520-D543 IonicContact CZ-OD1 2.69Å; R520-D543 IonicContact NH1-OD1 3.18Å; R520-D543 PolarHBondContact NH1-OD1 3.05Å; R520-D543 IonicContact NH1-OD2 3.65Å; R520-D543 IonicContact NH2-OD1 3.84Å; R520-D543 PolarHBondContact NH2-OD1 3.27Å; N540-D543 HydrophobicContact CB-CB 4.46Å; N540-D543 WeakPolarHBondContact CB-OD2 3.13Å; N540-D543 PolarHBondContact O-N 2.89Å; P541-D543 VanDerWaalsContact C-N 3.33Å; P541-D543 PolarHBondContact O-N 3.33Å; D543-L545 VanDerWaalsContact C-N 3.32Å; D543-L545 PolarHBondContact O-N 3.34Å; D543-T546 WeakPolarHBondContact O-CA 3.26Å; D543-T546 WeakPolarHBondContact O-CB 3.34Å; D543-T546 PolarHBondContact O-N 3.22Å; D543-S547 PolarHBondContact O-N 3.14Å; D543-S547 PolarHBondContact O-OG 3.27Å
544W85.8Confident78.5Confident29 Ų2957.3 Ų57.311%0.1135%0.346CS..Hα-helixtrans-59.2-39.4171.4-176.292.7000112.7A530 M533 I539 N540 T546 S547 E548 L549 L552 W605A530-W544 HydrophobicContact CB-CE3 3.61Å; A530-W544 HydrophobicContact CB-CZ3 3.83Å; M533-W544 HydrophobicContact CB-CH2 3.72Å; M533-W544 HydrophobicContact CB-CZ2 3.48Å; M533-W544 VanDerWaalsContact CB-CZ2 3.48Å; M533-W544 HydrophobicContact CB-CZ3 4.41Å; M533-W544 HydrophobicContact CG-CH2 3.75Å; M533-W544 HydrophobicContact CG-CZ2 3.91Å; I539-W544 HydrophobicContact CG2-CB 4.08Å; N540-W544 PolarHBondContact O-N 3.34Å; N540-W544 VanDerWaalsContact O-N 3.11Å; W544-T546 PolarHBondContact O-N 2.87Å; W544-S547 PolarHBondContact O-N 3.44Å; W544-E548 VanDerWaalsContact CD1-CG 3.44Å; W544-E548 HydrophobicContact CD2-CB 4.12Å; W544-E548 HydrophobicContact CG-CB 4.16Å; W544-E548 HydrophobicContact CG-CG 4.08Å; W544-E548 HydrophobicContact CZ2-CB 4.22Å; W544-E548 PolarHBondContact O-N 3.01Å; W544-L549 HydrophobicContact CZ3-CB 4.38Å; W544-L549 HydrophobicContact CZ3-CD1 4.49Å; W544-L549 PolarHBondContact O-N 2.82Å; W544-L552 HydrophobicContact CH2-CD2 3.65Å; W544-L552 HydrophobicContact CZ2-CD2 4.11Å; W544-W605 HydrophobicContact CH2-CH2 4.35Å; W544-W605 AromaticContact CH2-CZ2 3.82Å; W544-W605 HydrophobicContact CH2-CZ2 3.82Å; W544-W605 AromaticContact CZ3-CH2 3.85Å; W544-W605 HydrophobicContact CZ3-CH2 3.85Å; W544-W605 AromaticContact CZ3-CZ2 3.79Å; W544-W605 HydrophobicContact CZ3-CZ2 3.79Å
545L84.4Confident79.3Confident17 Ų1760.7 Ų60.79%0.08936%0.36CS..Hα-helixtrans-64.8-20.5172.6-77.6165.3000113.5V522 E526 A530 P541 D543 L549 W605V522-L545 HydrophobicContact CG1-CD1 3.52Å; E526-L545 HydrophobicContact CB-CD1 3.93Å; E526-L545 HydrophobicContact CB-CD2 4.15Å; A530-L545 HydrophobicContact CB-CD1 3.85Å; A530-L545 HydrophobicContact CB-CD2 3.85Å; A530-L545 HydrophobicContact CB-CG 3.63Å; P541-L545 VanDerWaalsContact O-CB 3.3Å; P541-L545 WeakPolarHBondContact O-CB 3.42Å; P541-L545 WeakPolarHBondContact O-CD1 3.37Å; P541-L545 WeakPolarHBondContact O-CG 3.32Å; P541-L545 PolarHBondContact O-N 3.29Å; D543-L545 VanDerWaalsContact C-N 3.32Å; D543-L545 PolarHBondContact O-N 3.34Å; L545-L549 HydrophobicContact CD2-CB 4.42Å; L545-L549 HydrophobicContact CD2-CD2 3.75Å; L545-L549 HydrophobicContact CD2-CG 4.5Å; L545-W605 HydrophobicContact CD2-CH2 3.95Å; L545-W605 HydrophobicContact CD2-CZ3 4.16Å
546T82.7Confident80.8Confident96 Ų9658.6 Ų58.659%0.58934%0.339SS*.Hα-helixtrans-90.2-40.8178.9-53.10000111.5C542 D543 W544C542-T546 PolarHBondContact O-N 3.01Å; C542-T546 PolarHBondContact O-OG1 3.03Å; D543-T546 WeakPolarHBondContact O-CA 3.26Å; D543-T546 WeakPolarHBondContact O-CB 3.34Å; D543-T546 PolarHBondContact O-N 3.22Å; W544-T546 PolarHBondContact O-N 2.87Å
547S83.5Confident82.4Confident59 Ų5952.6 Ų52.641%0.41330%0.297SS..Hα-helixtrans-94.1-50.1-177.366.30000114.5D543 W544 H551D543-S547 PolarHBondContact O-N 3.14Å; D543-S547 PolarHBondContact O-OG 3.27Å; W544-S547 PolarHBondContact O-N 3.44Å; S547-H551 PolarHBondContact O-CD2 3.48Å
548E85.5Confident83.8Confident89 Ų8952.1 Ų52.142%0.41630%0.296SS..THydrogen-bonded Turntrans-91.7-33-167.5-52.8-4412000113.3W544 H551 L552W544-E548 VanDerWaalsContact CD1-CG 3.44Å; W544-E548 HydrophobicContact CD2-CB 4.12Å; W544-E548 HydrophobicContact CG-CB 4.16Å; W544-E548 HydrophobicContact CG-CG 4.08Å; W544-E548 HydrophobicContact CZ2-CB 4.22Å; W544-E548 PolarHBondContact O-N 3.01Å; E548-H551 PolarHBondContact O-N 3.27Å; E548-H551 VanDerWaalsContact O-N 3.11Å; E548-L552 PolarHBondContact O-N 3.1Å
549L88.3Confident85.1Confident6 Ų647.7 Ų47.73%0.03126%0.261CS..Hα-helixtrans-54.3-45.6-177.9179.366.8000112.9W544 L545 H551 L552 L553 W605W544-L549 HydrophobicContact CZ3-CB 4.38Å; W544-L549 HydrophobicContact CZ3-CD1 4.49Å; W544-L549 PolarHBondContact O-N 2.82Å; L545-L549 HydrophobicContact CD2-CB 4.42Å; L545-L549 HydrophobicContact CD2-CD2 3.75Å; L545-L549 HydrophobicContact CD2-CG 4.5Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 3.35Å; L549-L552 PolarHBondContact O-N 3.37Å; L549-L552 VanDerWaalsContact O-N 3.16Å; L549-L553 HydrophobicContact CD1-CD1 4.11Å; L549-L553 HydrophobicContact CD1-CD2 3.99Å; L549-L553 HydrophobicContact CD1-CG 3.81Å; L549-L553 HydrophobicContact CD2-CD1 4.3Å; L549-L553 HydrophobicContact CG-CD1 3.85Å; L549-L553 HydrophobicContact CG-CG 4.02Å; L549-L553 VanDerWaalsContact O-CG 3.25Å; L549-L553 WeakPolarHBondContact O-CG 3.14Å; L549-L553 PolarHBondContact O-N 2.62Å; L549-W605 HydrophobicContact CD1-CD2 4.01Å; L549-W605 HydrophobicContact CD1-CE3 3.73Å; L549-W605 HydrophobicContact CD1-CH2 3.86Å; L549-W605 HydrophobicContact CD1-CZ2 4.12Å; L549-W605 HydrophobicContact CD1-CZ3 3.65Å; L549-W605 HydrophobicContact CD2-CZ3 4.3Å
550P89.5Confident85.7Confident45 Ų4543.4 Ų43.429%0.29224%0.239SC..Hα-helixtrans-55.6-39.5178.6-26.135.7000113.5L553 D554P550-L553 PolarHBondContact O-N 2.93Å; P550-D554 PolarHBondContact O-N 2.92Å; P550-D554 VanDerWaalsContact O-N 3.12Å
551H88.4Confident86Confident129 Ų12941.2 Ų41.260%0.59723%0.231SC*.Hα-helixtrans-71.4-41.1177.8-64.8-61.1000112.1S547 E548 L549 L553 D554 E555S547-H551 PolarHBondContact O-CD2 3.48Å; E548-H551 PolarHBondContact O-N 3.27Å; E548-H551 VanDerWaalsContact O-N 3.11Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 3.35Å; H551-L553 VanDerWaalsContact C-N 3.3Å; H551-L553 PolarHBondContact O-N 3.31Å; H551-D554 PolarHBondContact O-N 2.99Å; H551-E555 PolarHBondContact O-N 3.16Å
552L88.6Confident86Confident19 Ų1944.1 Ų44.110%0.09925%0.251CS..Hα-helixtrans-61.8-37.1173.8179.161.6000112.2W544 E548 L549 E555 I556 W605 K612W544-L552 HydrophobicContact CH2-CD2 3.65Å; W544-L552 HydrophobicContact CZ2-CD2 4.11Å; E548-L552 PolarHBondContact O-N 3.1Å; L549-L552 PolarHBondContact O-N 3.37Å; L549-L552 VanDerWaalsContact O-N 3.16Å; L552-E555 PolarHBondContact O-N 3.38Å; L552-I556 HydrophobicContact CD1-CD1 4.29Å; L552-I556 HydrophobicContact CG-CD1 4.05Å; L552-I556 VanDerWaalsContact O-CG1 3.28Å; L552-I556 WeakPolarHBondContact O-CG1 3.48Å; L552-I556 PolarHBondContact O-N 2.82Å; L552-W605 HydrophobicContact CD2-CZ2 4.32Å; L552-K612 HydrophobicContact CD1-CD 3.46Å; L552-K612 VanDerWaalsContact CD1-CD 3.46Å; L552-K612 HydrophobicContact CD1-CG 3.98Å
553L91.1Very high86Confident9 Ų947 Ų475%0.04727%0.268CS..Hα-helixtrans-69.8-39.1177.6-65.8178.6000112.4L549 P550 H551 E555 I556 C557 R598 A601 K602 W605L549-L553 HydrophobicContact CD1-CD1 4.11Å; L549-L553 HydrophobicContact CD1-CD2 3.99Å; L549-L553 HydrophobicContact CD1-CG 3.81Å; L549-L553 HydrophobicContact CD2-CD1 4.3Å; L549-L553 HydrophobicContact CG-CD1 3.85Å; L549-L553 HydrophobicContact CG-CG 4.02Å; L549-L553 VanDerWaalsContact O-CG 3.25Å; L549-L553 WeakPolarHBondContact O-CG 3.14Å; L549-L553 PolarHBondContact O-N 2.62Å; P550-L553 PolarHBondContact O-N 2.93Å; H551-L553 VanDerWaalsContact C-N 3.3Å; H551-L553 PolarHBondContact O-N 3.31Å; L553-E555 VanDerWaalsContact C-N 3.34Å; L553-I556 PolarHBondContact O-N 3.15Å; L553-C557 PolarHBondContact O-N 2.88Å; L553-R598 HydrophobicContact CB-CG 4.44Å; L553-A601 HydrophobicContact CB-CB 4.37Å; L553-A601 HydrophobicContact CD2-CB 4.07Å; L553-K602 HydrophobicContact CD1-CB 3.79Å; L553-K602 HydrophobicContact CD1-CD 4.25Å; L553-K602 HydrophobicContact CD1-CG 4.09Å; L553-K602 HydrophobicContact CD2-CB 3.99Å; L553-W605 HydrophobicContact CD2-CB 4.24Å
554D89.4Confident85.4Confident62 Ų6245.6 Ų45.633%0.33226%0.26SS..Hα-helixtrans-63.4-40.6171.4-75.5-21.6000111.6P550 H551 C557 A558 R598P550-D554 PolarHBondContact O-N 2.92Å; P550-D554 VanDerWaalsContact O-N 3.12Å; H551-D554 PolarHBondContact O-N 2.99Å; D554-C557 WeakPolarHBondContact O-CB 3.39Å; D554-C557 PolarHBondContact O-N 2.7Å; D554-A558 WeakPolarHBondContact O-CB 3.47Å; D554-A558 PolarHBondContact O-N 2.99Å; D554-R598 WeakPolarHBondContact OD1-CG 3.29Å; D554-R598 IonicContact OD1-CZ 2.89Å; D554-R598 IonicContact OD1-NE 2.75Å; D554-R598 PolarHBondContact OD1-NE 3.15Å; D554-R598 IonicContact OD1-NH2 3.31Å; D554-R598 PolarHBondContact OD1-NH2 3.11Å; D554-R598 IonicContact OD2-CZ 2.68Å; D554-R598 IonicContact OD2-NE 3.37Å; D554-R598 PolarHBondContact OD2-NE 3.04Å; D554-R598 IonicContact OD2-NH2 2.84Å; D554-R598 PolarHBondContact OD2-NH2 3.37Å
555E88.4Confident84.4Confident83 Ų8348.2 Ų48.239%0.38828%0.276SS..Hα-helixtrans-62-44.3175.2-151.7-155.7165.400111.2H551 L552 L553 C557 A558 M559 K612H551-E555 PolarHBondContact O-N 3.16Å; L552-E555 PolarHBondContact O-N 3.38Å; L553-E555 VanDerWaalsContact C-N 3.34Å; E555-C557 VanDerWaalsContact C-N 3.35Å; E555-C557 PolarHBondContact O-N 3.41Å; E555-A558 PolarHBondContact O-N 3.03Å; E555-M559 VanDerWaalsContact C-CE 3.48Å; E555-M559 HydrophobicContact CB-CE 4.11Å; E555-M559 HydrophobicContact CG-CE 3.81Å; E555-M559 WeakPolarHBondContact O-CB 3.41Å; E555-M559 VanDerWaalsContact O-CE 3.23Å; E555-M559 WeakPolarHBondContact O-CE 3.27Å; E555-M559 WeakPolarHBondContact O-CG 3.47Å; E555-M559 PolarHBondContact O-N 3.3Å; E555-K612 IonicContact OE1-NZ 3.16Å; E555-K612 PolarHBondContact OE1-NZ 2.89Å; E555-K612 WeakPolarHBondContact OE2-CD 3.26Å; E555-K612 WeakPolarHBondContact OE2-CE 3.49Å; E555-K612 IonicContact OE2-NZ 3.78Å; E555-K612 PolarHBondContact OE2-NZ 3.35Å
556I89.6Confident83.2Confident0 Ų051.9 Ų51.90%030%0.299CS..Hα-helixtrans-60.7-41.9175.7-72.5165.5000111.3L552 L553 M559 A560 A601 W605 K612 A615 V616 L619L552-I556 HydrophobicContact CD1-CD1 4.29Å; L552-I556 HydrophobicContact CG-CD1 4.05Å; L552-I556 VanDerWaalsContact O-CG1 3.28Å; L552-I556 WeakPolarHBondContact O-CG1 3.48Å; L552-I556 PolarHBondContact O-N 2.82Å; L553-I556 PolarHBondContact O-N 3.15Å; I556-M559 HydrophobicContact CG1-CE 4.23Å; I556-A560 VanDerWaalsContact O-CB 3.27Å; I556-A560 WeakPolarHBondContact O-CB 3.17Å; I556-A560 PolarHBondContact O-N 2.74Å; I556-A601 HydrophobicContact CB-CB 4.28Å; I556-A601 HydrophobicContact CG2-CB 3.81Å; I556-W605 HydrophobicContact CD1-CB 4.13Å; I556-W605 HydrophobicContact CD1-CG 4.16Å; I556-K612 HydrophobicContact CD1-CG 4.32Å; I556-K612 HydrophobicContact CG1-CG 3.87Å; I556-A615 HydrophobicContact CD1-CB 3.98Å; I556-A615 HydrophobicContact CG2-CB 4.3Å; I556-V616 HydrophobicContact CB-CG2 4.43Å; I556-V616 HydrophobicContact CG1-CG2 4.42Å; I556-V616 HydrophobicContact CG2-CG2 4.08Å; I556-L619 HydrophobicContact CG2-CD2 3.9Å
557C88.4Confident82.1Confident17 Ų1751 Ų5112%0.11530%0.296CS..Hα-helixtrans-61.2-45.9172.2-78.40000112.2L553 D554 E555 A560 A561 L596L553-C557 PolarHBondContact O-N 2.88Å; D554-C557 WeakPolarHBondContact O-CB 3.39Å; D554-C557 PolarHBondContact O-N 2.7Å; E555-C557 VanDerWaalsContact C-N 3.35Å; E555-C557 PolarHBondContact O-N 3.41Å; C557-A560 PolarHBondContact O-N 3.5Å; C557-A561 WeakPolarHBondContact O-CB 3.26Å; C557-A561 PolarHBondContact O-N 3.08Å; C557-L596 HydrophobicContact CB-CB 4.45Å
558A86.6Confident80.9Confident59 Ų5954.6 Ų54.649%0.48830%0.301SS..Hα-helixtrans-65.6-42.4-179.400000112.7D554 E555 A561 S562D554-A558 WeakPolarHBondContact O-CB 3.47Å; D554-A558 PolarHBondContact O-N 2.99Å; E555-A558 PolarHBondContact O-N 3.03Å; A558-A561 PolarHBondContact O-N 3.15Å; A558-S562 PolarHBondContact O-N 3.19Å; A558-S562 PolarHBondContact O-OG 2.87Å
559M86.8Confident79.3Confident45 Ų4556.9 Ų56.922%0.22232%0.315CS..Hα-helixtrans-66.6-37.9174.6-74.3179.9-70.800112.4E555 I556 S562 V563 K612 V616E555-M559 VanDerWaalsContact C-CE 3.48Å; E555-M559 HydrophobicContact CB-CE 4.11Å; E555-M559 HydrophobicContact CG-CE 3.81Å; E555-M559 WeakPolarHBondContact O-CB 3.41Å; E555-M559 VanDerWaalsContact O-CE 3.23Å; E555-M559 WeakPolarHBondContact O-CE 3.27Å; E555-M559 WeakPolarHBondContact O-CG 3.47Å; E555-M559 PolarHBondContact O-N 3.3Å; I556-M559 HydrophobicContact CG1-CE 4.23Å; M559-S562 PolarHBondContact O-OG 3.17Å; M559-S562 VanDerWaalsContact O-OG 3.12Å; M559-V563 WeakPolarHBondContact O-CB 3.48Å; M559-V563 VanDerWaalsContact O-CG2 3.22Å; M559-V563 WeakPolarHBondContact O-CG2 3.48Å; M559-V563 PolarHBondContact O-N 3.01Å; M559-K612 HydrophobicContact CE-CD 3.63Å; M559-K612 HydrophobicContact CE-CG 3.65Å; M559-V616 HydrophobicContact CB-CG1 4.37Å; M559-V616 HydrophobicContact CB-CG2 3.8Å; M559-V616 HydrophobicContact CE-CG2 4.11Å
560A85.4Confident77.3Confident0 Ų059.8 Ų59.80%035%0.347CS..Hα-helixtrans-65.1-44.1174.400000111.5I556 C557 S562 Q564 L596 V616 L619 L620I556-A560 VanDerWaalsContact O-CB 3.27Å; I556-A560 WeakPolarHBondContact O-CB 3.17Å; I556-A560 PolarHBondContact O-N 2.74Å; C557-A560 PolarHBondContact O-N 3.5Å; A560-S562 PolarHBondContact O-N 3.35Å; A560-Q564 WeakPolarHBondContact O-CB 3.29Å; A560-Q564 PolarHBondContact O-N 3.49Å; A560-L596 HydrophobicContact CB-CD1 3.4Å; A560-V616 HydrophobicContact CB-CG1 4.15Å; A560-L619 HydrophobicContact CB-CD2 3.81Å; A560-L619 HydrophobicContact CB-CG 4.34Å; A560-L620 HydrophobicContact CB-CD1 4.42Å; A560-L620 HydrophobicContact CB-CD2 3.96Å; A560-L620 HydrophobicContact CB-CG 4.01Å
561A83.6Confident75Confident23 Ų2364.9 Ų64.919%0.1937%0.371CS..Hα-helixtrans-62.6-40.8176.100000112.8C557 A558 Q564 L565C557-A561 WeakPolarHBondContact O-CB 3.26Å; C557-A561 PolarHBondContact O-N 3.08Å; A558-A561 PolarHBondContact O-N 3.15Å; A561-Q564 PolarHBondContact O-N 3.35Å; A561-L565 PolarHBondContact O-N 3.44Å
562S79.4Confident72.8Confident66 Ų6661.8 Ų61.846%0.46238%0.375SS..Hα-helixtrans-72-40.4179.567.40000113A558 M559 A560 Q564 L565 T566A558-S562 PolarHBondContact O-N 3.19Å; A558-S562 PolarHBondContact O-OG 2.87Å; M559-S562 PolarHBondContact O-OG 3.17Å; M559-S562 VanDerWaalsContact O-OG 3.12Å; A560-S562 PolarHBondContact O-N 3.35Å; S562-Q564 VanDerWaalsContact C-N 3.27Å; S562-Q564 PolarHBondContact O-N 3.38Å; S562-L565 PolarHBondContact O-N 2.79Å; S562-T566 PolarHBondContact O-N 3.27Å; S562-T566 PolarHBondContact O-OG1 3.23Å
563V79.1Confident70.6Confident62 Ų6266.1 Ų66.138%0.37641%0.406SS..Hα-helixtrans-60.5-37.4171.31680000111.2M559 T566 S567 L620M559-V563 WeakPolarHBondContact O-CB 3.48Å; M559-V563 VanDerWaalsContact O-CG2 3.22Å; M559-V563 WeakPolarHBondContact O-CG2 3.48Å; M559-V563 PolarHBondContact O-N 3.01Å; V563-T566 PolarHBondContact O-OG1 2.74Å; V563-T566 VanDerWaalsContact O-OG1 3.06Å; V563-S567 WeakPolarHBondContact O-CB 3.45Å; V563-S567 PolarHBondContact O-N 3.13Å; V563-S567 PolarHBondContact O-OG 3.1Å; V563-L620 HydrophobicContact CB-CD1 4.2Å; V563-L620 HydrophobicContact CG1-CD1 3.79Å
564Q69.2Low68.1Low43 Ų4372.5 Ų72.520%0.20145%0.446CS..Hα-helixtrans-74.8-29.3178.2-158.816717.300112.8A560 A561 S562 R568 V594 L620A560-Q564 WeakPolarHBondContact O-CB 3.29Å; A560-Q564 PolarHBondContact O-N 3.49Å; A561-Q564 PolarHBondContact O-N 3.35Å; S562-Q564 VanDerWaalsContact C-N 3.27Å; S562-Q564 PolarHBondContact O-N 3.38Å; Q564-R568 WeakPolarHBondContact O-CG 3.46Å; Q564-R568 PolarHBondContact O-N 2.79Å; Q564-R568 VanDerWaalsContact O-N 3.13Å; Q564-V594 HydrophobicContact CG-CG2 4.5Å; Q564-V594 VanDerWaalsContact OE1-CG2 3.26Å; Q564-L620 HydrophobicContact CB-CD2 4.11Å; Q564-L620 HydrophobicContact CG-CD2 4.38Å
565L64.3Low65.4Low84 Ų8474.3 Ų74.344%0.4447%0.469SS..Hα-helixtrans-66-50.1170.6-113.284.8000112A561 S562 S567 R568 L569A561-L565 PolarHBondContact O-N 3.44Å; S562-L565 PolarHBondContact O-N 2.79Å; L565-S567 VanDerWaalsContact C-N 3.29Å; L565-S567 PolarHBondContact O-N 3.1Å; L565-R568 PolarHBondContact O-N 3.37Å; L565-R568 VanDerWaalsContact O-N 3.09Å; L565-L569 PolarHBondContact O-N 2.8Å
566T60.2Low62.8Low94 Ų9478.2 Ų78.258%0.57749%0.492SS*.Hα-helixtrans-63.1-36.7178.250.10000111.8S562 V563 R568 L569 G570S562-T566 PolarHBondContact O-N 3.27Å; S562-T566 PolarHBondContact O-OG1 3.23Å; V563-T566 PolarHBondContact O-OG1 2.74Å; V563-T566 VanDerWaalsContact O-OG1 3.06Å; T566-R568 VanDerWaalsContact C-N 3.33Å; T566-R568 PolarHBondContact O-N 3.46Å; T566-L569 PolarHBondContact O-N 3.16Å; T566-G570 PolarHBondContact O-N 3.01Å
567S58.6Low60.2Low76 Ų7683.5 Ų83.553%0.53153%0.529SS..Hα-helixtrans-63.9-32.4172.9-55.10000113.6V563 L565V563-S567 WeakPolarHBondContact O-CB 3.45Å; V563-S567 PolarHBondContact O-N 3.13Å; V563-S567 PolarHBondContact O-OG 3.1Å; L565-S567 VanDerWaalsContact C-N 3.29Å; L565-S567 PolarHBondContact O-N 3.1Å
568R58Low57.6Low135 Ų13589.6 Ų89.651%0.50957%0.565SS.*Hα-helixtrans-75.6-36.4175.6-76.5-179.5-179.3-179.93.6111.9Q564 L565 T566 E642Q564-R568 WeakPolarHBondContact O-CG 3.46Å; Q564-R568 PolarHBondContact O-N 2.79Å; Q564-R568 VanDerWaalsContact O-N 3.13Å; L565-R568 PolarHBondContact O-N 3.37Å; L565-R568 VanDerWaalsContact O-N 3.09Å; T566-R568 VanDerWaalsContact C-N 3.33Å; T566-R568 PolarHBondContact O-N 3.46Å; R568-E642 IonicContact NH2-OE1 3.04Å
569L51.8Low55.1Low138 Ų13895.7 Ų95.772%0.72358%0.584SS**Hα-helixtrans-69.8-36.2176.6-75.9161.8000112.9L565 T566 N571 G572L565-L569 PolarHBondContact O-N 2.8Å; T566-L569 PolarHBondContact O-N 3.16Å; L569-N571 PolarHBondContact O-N 2.72Å; L569-G572 PolarHBondContact O-N 2.71Å
570G46.2Very low52.6Low67 Ų67105 Ų10569%0.69162%0.616SS**THydrogen-bonded Turntrans-66.6-14.5-177.700000116.1T566T566-G570 PolarHBondContact O-N 3.01Å
571N42.8Very low50.2Low151 Ų151113.1 Ų113.181%0.80766%0.66SS**THydrogen-bonded Turntrans-95.24.9179.9-108.131.7000113.8L569 S573L569-N571 PolarHBondContact O-N 2.72Å; N571-S573 PolarHBondContact O-N 2.95Å; N571-S573 VanDerWaalsContact O-N 3.11Å
572G42.3Very low47.9Very low65 Ų65114.8 Ų114.867%0.6768%0.68SS**  trans-82.769.6-177.900000114.2L569L569-G572 PolarHBondContact O-N 2.71Å
573S40.6Very low46Very low109 Ų109117.6 Ų117.676%0.76270%0.696SS**  trans-153.5137.3168.6-78.20000112.3N571N571-S573 PolarHBondContact O-N 2.95Å; N571-S573 VanDerWaalsContact O-N 3.11Å
574T40.4Very low43.8Very low143 Ų143120.3 Ų120.388%0.87772%0.715SS**  trans70.268.2-178-36.20000115.3
575A31.4Very low42.1Very low100 Ų100124 Ų12483%0.82674%0.743SS**  trans-123.6119.7153.700000108.4
576L33.7Very low40.8Very low165 Ų165128.7 Ų128.786%0.86476%0.763SS**  trans-80.5144.6178.5-82.5162.8000110.9
577S34.6Very low39.5Very low112 Ų112133.1 Ų133.178%0.78378%0.777SS**  trans-67.8128.7179.249.90000112.7
578V34.2Very low38.4Very low144 Ų144138 Ų13887%0.87380%0.797SS**  trans-133.9125.1156.3-179.20000107
579E35.1Very low37.1Very low187 Ų187136 Ų13687%0.87481%0.81SS**  trans-84.4152.8-174-59.5-170.8136.900112.9
580R33.3Very low36.2Very low240 Ų240133.7 Ų133.791%0.90681%0.81SS**  trans-154.6121.6157.3-178.5163.7-68.3-136-3.1110
581D36.3Very low35.8Very low171 Ų171136.7 Ų136.791%0.91482%0.818SS**  trans-59.9143.5175-81.2-61.8000113.4
582G35.4Very low35.8Very low59 Ų59132.2 Ų132.261%0.60881%0.807SS**  trans173.1125.7171.900000109.9
583P37.8Very low36.4Very low125 Ų125130.5 Ų130.581%0.81279%0.789SS**PPolyproline II helixtrans-69.8138.5-176.128.2-34.3000111.2
584P33.4Very low37.5Very low119 Ų119125.6 Ų125.677%0.77375%0.754SS**PPolyproline II helixtrans-72.9131.6176.829.7-33.5000110.7
585P34.4Very low39.1Very low121 Ų121125.7 Ų125.779%0.78674%0.743SS**PPolyproline II helixtrans-72.8131.9167.229.8-32.1000110Q587P585-Q587 PolarHBondContact O-N 2.93Å
586E36.3Very low41.7Very low182 Ų182121.9 Ų121.985%0.8571%0.708SS**PPolyproline II helixtrans-66.5123.4172.9-62.3-176.4132.800110.9
587Q32.4Very low44.3Very low186 Ų186114.8 Ų114.887%0.86967%0.673SS**  trans-160.9143.4149-115.514110500113.3P585 A589P585-Q587 PolarHBondContact O-N 2.93Å; Q587-A589 PolarHBondContact O-N 3.14Å
588N36Very low47Very low179 Ų179115.8 Ų115.896%0.95766%0.659SS**  trans-75.9104.2-172.6-69.2-69.6000112.1
589A30.8Very low49.6Very low94 Ų94111.1 Ų111.178%0.77764%0.635SS**  trans-128.1104.7163.400000109.8Q587Q587-A589 PolarHBondContact O-N 3.14Å
590A32.1Very low52.3Low89 Ų89102.5 Ų102.574%0.73660%0.595SS**  trans-58.3149.2166.700000109.9G592A590-G592 PolarHBondContact O-N 3.39Å
591P37.8Very low55Low130 Ų13091.1 Ų91.184%0.84455%0.552SS**  trans-60101-174.623.4-34.1000111.3G593P591-G593 PolarHBondContact O-N 3.39Å
592G43.1Very low57.6Low57 Ų5786.2 Ų86.259%0.58852%0.523SS*.  trans-69.699.2-171.800000112.2A590A590-G592 PolarHBondContact O-N 3.39Å
593G55.5Low60.2Low28 Ų2888.5 Ų88.529%0.28952%0.521SS..  trans-58.2139.8160.600000110.1P591 K595P591-G593 PolarHBondContact O-N 3.39Å; G593-K595 PolarHBondContact O-N 3.37Å
594V62.9Low62.8Low6 Ų682.6 Ų82.64%0.03648%0.482CS..  trans-59.2112.8-174.1179.80000109.7Q564 L596Q564-V594 HydrophobicContact CG-CG2 4.5Å; Q564-V594 VanDerWaalsContact OE1-CG2 3.26Å; V594-L596 HydrophobicContact CG1-CD2 4.06Å; V594-L596 HydrophobicContact CG1-CG 4.15Å; V594-L596 PolarHBondContact O-N 3.46Å
595K74.3Confident65.6Low146 Ų14676.9 Ų76.964%0.63545%0.445SS*.  trans-78.689.3-177-67.1-178.8-177.4173.20109.8G593 R646G593-K595 PolarHBondContact O-N 3.37Å; K595-R646 VanDerWaalsContact CB-CD 3.48Å; K595-R646 WeakPolarHBondContact O-CD 3.46Å; K595-R646 WeakPolarHBondContact O-CG 3.36Å
596L86.5Confident68.2Low19 Ų1973.2 Ų73.210%0.09942%0.419CS..  trans-79.4146176.8-63161.7000110.7C557 A560 V594 L619 L620 R623C557-L596 HydrophobicContact CB-CB 4.45Å; A560-L596 HydrophobicContact CB-CD1 3.4Å; V594-L596 HydrophobicContact CG1-CD2 4.06Å; V594-L596 HydrophobicContact CG1-CG 4.15Å; V594-L596 PolarHBondContact O-N 3.46Å; L596-L619 HydrophobicContact CD1-CD2 3.92Å; L596-L619 HydrophobicContact CD1-CG 4.08Å; L596-L619 HydrophobicContact CD2-CD1 4.17Å; L596-L619 HydrophobicContact CD2-CG 4.38Å; L596-L620 HydrophobicContact CD1-CD2 4.3Å; L596-R623 HydrophobicContact CD2-CB 4.39Å; L596-R623 HydrophobicContact CD2-CG 3.95Å
597S89.1Confident70.6Confident17 Ų1768.1 Ų68.112%0.11941%0.408CS..  trans-90.2149.6179.268.20000112.7A599 E600 A601S597-A599 PolarHBondContact O-N 3.13Å; S597-A599 VanDerWaalsContact O-N 3.16Å; S597-E600 WeakPolarHBondContact CB-OE2 3.45Å; S597-E600 PolarHBondContact N-OE2 2.92Å; S597-E600 PolarHBondContact O-N 3.49Å; S597-E600 VanDerWaalsContact O-N 3.11Å; S597-E600 VanDerWaalsContact OG-CG 3.26Å; S597-E600 WeakPolarHBondContact OG-CG 3.14Å; S597-E600 PolarHBondContact OG-N 3.32Å; S597-E600 PolarHBondContact OG-OE2 3.41Å; S597-A601 PolarHBondContact O-N 3.06Å; S597-A601 VanDerWaalsContact O-N 3.07Å
598R90.2Very high73.4Confident133 Ų13360 Ų6050%0.50237%0.373SS..Hα-helixtrans-54.6-31.5171.4-71.6-179.1-179.6164.6-3.1112.4L553 D554 K602L553-R598 HydrophobicContact CB-CG 4.44Å; D554-R598 WeakPolarHBondContact OD1-CG 3.29Å; D554-R598 IonicContact OD1-CZ 2.89Å; D554-R598 IonicContact OD1-NE 2.75Å; D554-R598 PolarHBondContact OD1-NE 3.15Å; D554-R598 IonicContact OD1-NH2 3.31Å; D554-R598 PolarHBondContact OD1-NH2 3.11Å; D554-R598 IonicContact OD2-CZ 2.68Å; D554-R598 IonicContact OD2-NE 3.37Å; D554-R598 PolarHBondContact OD2-NE 3.04Å; D554-R598 IonicContact OD2-NH2 2.84Å; D554-R598 PolarHBondContact OD2-NH2 3.37Å; R598-K602 VanDerWaalsContact O-CB 3.3Å; R598-K602 WeakPolarHBondContact O-CB 3.35Å; R598-K602 PolarHBondContact O-N 3.26Å
599A89.6Confident75.6Confident45 Ų4553 Ų5337%0.37234%0.343SS..Hα-helixtrans-65.3-46.2176.800000112S597 K602 L603S597-A599 PolarHBondContact O-N 3.13Å; S597-A599 VanDerWaalsContact O-N 3.16Å; A599-K602 PolarHBondContact O-N 3.48Å; A599-L603 WeakPolarHBondContact O-CG 3.41Å; A599-L603 PolarHBondContact O-N 3.38Å
600E91.3Very high78.1Confident7 Ų748.6 Ų48.63%0.03331%0.306CS..Hα-helixtrans-63-44174.8-69.3164.4106.700111.7S597 K602 L603 A604 L619 R623 G649S597-E600 WeakPolarHBondContact CB-OE2 3.45Å; S597-E600 PolarHBondContact N-OE2 2.92Å; S597-E600 PolarHBondContact O-N 3.49Å; S597-E600 VanDerWaalsContact O-N 3.11Å; S597-E600 VanDerWaalsContact OG-CG 3.26Å; S597-E600 WeakPolarHBondContact OG-CG 3.14Å; S597-E600 PolarHBondContact OG-N 3.32Å; S597-E600 PolarHBondContact OG-OE2 3.41Å; E600-K602 VanDerWaalsContact C-N 3.3Å; E600-K602 PolarHBondContact O-N 3.18Å; E600-L603 PolarHBondContact O-N 3.2Å; E600-A604 WeakPolarHBondContact O-CB 3.21Å; E600-A604 PolarHBondContact O-N 3.47Å; E600-L619 HydrophobicContact CB-CD1 3.48Å; E600-L619 VanDerWaalsContact CB-CD1 3.48Å; E600-R623 VanDerWaalsContact CD-NH1 3.31Å; E600-R623 VanDerWaalsContact OE1-CD 3.3Å; E600-R623 WeakPolarHBondContact OE1-CD 3.29Å; E600-R623 IonicContact OE1-CZ 3.52Å; E600-R623 IonicContact OE1-NE 3.24Å; E600-R623 IonicContact OE1-NH1 3.55Å; E600-R623 PolarHBondContact OE1-NH1 3.09Å; E600-R623 IonicContact OE2-NH1 3.46Å; E600-R623 PolarHBondContact OE2-NH1 3.25Å; E600-G649 WeakPolarHBondContact CG-O 3.45Å
601A90.9Very high80.7Confident0 Ų047 Ų470%029%0.285CS..Hα-helixtrans-60.4-39174.700000112.1L553 I556 S597 A604 W605 L619L553-A601 HydrophobicContact CB-CB 4.37Å; L553-A601 HydrophobicContact CD2-CB 4.07Å; I556-A601 HydrophobicContact CB-CB 4.28Å; I556-A601 HydrophobicContact CG2-CB 3.81Å; S597-A601 PolarHBondContact O-N 3.06Å; S597-A601 VanDerWaalsContact O-N 3.07Å; A601-A604 PolarHBondContact O-N 2.88Å; A601-W605 WeakPolarHBondContact O-CB 3.44Å; A601-W605 PolarHBondContact O-N 3.11Å; A601-L619 HydrophobicContact CB-CD2 4.13Å
602K90.7Very high83Confident69 Ų6943.6 Ų43.630%0.326%0.257SS..Hα-helixtrans-65.9-46.3178.5-168.5174178.9179.70111.7E526 L553 R598 A599 E600 A604 W605 L606E526-K602 WeakPolarHBondContact OE1-CE 3.4Å; E526-K602 IonicContact OE1-NZ 3.47Å; E526-K602 PolarHBondContact OE1-NZ 3.18Å; L553-K602 HydrophobicContact CD1-CB 3.79Å; L553-K602 HydrophobicContact CD1-CD 4.25Å; L553-K602 HydrophobicContact CD1-CG 4.09Å; L553-K602 HydrophobicContact CD2-CB 3.99Å; R598-K602 VanDerWaalsContact O-CB 3.3Å; R598-K602 WeakPolarHBondContact O-CB 3.35Å; R598-K602 PolarHBondContact O-N 3.26Å; A599-K602 PolarHBondContact O-N 3.48Å; E600-K602 VanDerWaalsContact C-N 3.3Å; E600-K602 PolarHBondContact O-N 3.18Å; K602-A604 VanDerWaalsContact C-N 3.34Å; K602-A604 PolarHBondContact O-N 3.39Å; K602-W605 PolarHBondContact O-N 3.44Å; K602-L606 HydrophobicContact CG-CD1 4.28Å; K602-L606 VanDerWaalsContact O-CG 3.32Å; K602-L606 WeakPolarHBondContact O-CG 3.3Å; K602-L606 PolarHBondContact O-N 2.87Å
603L90.1Very high85.1Confident106 Ų10645.1 Ų45.156%0.55525%0.252SS*.Hα-helixtrans-60.7-43.7175.2-69172.5000111.5A599 E600 A607A599-L603 WeakPolarHBondContact O-CG 3.41Å; A599-L603 PolarHBondContact O-N 3.38Å; E600-L603 PolarHBondContact O-N 3.2Å; L603-A607 VanDerWaalsContact O-CB 3.3Å; L603-A607 WeakPolarHBondContact O-CB 3.32Å; L603-A607 PolarHBondContact O-N 2.9Å
604A91.6Very high86.7Confident1 Ų149.6 Ų49.61%0.00826%0.263CS..Hα-helixtrans-66.7-34.7176.800000113.1E600 A601 K602 A608 Q618 L619E600-A604 WeakPolarHBondContact O-CB 3.21Å; E600-A604 PolarHBondContact O-N 3.47Å; A601-A604 PolarHBondContact O-N 2.88Å; K602-A604 VanDerWaalsContact C-N 3.34Å; K602-A604 PolarHBondContact O-N 3.39Å; A604-A608 WeakPolarHBondContact O-CB 3.28Å; A604-A608 PolarHBondContact O-N 2.95Å; A604-Q618 HydrophobicContact CB-CB 4.25Å; A604-Q618 HydrophobicContact CB-CG 4.41Å; A604-L619 HydrophobicContact CB-CB 3.74Å
605W91.9Very high88Confident0 Ų049.3 Ų49.30%026%0.262CS..Hα-helixtrans-70.5-41.9176.9178.375.8000112.8A529 A530 M533 W544 L545 L549 L552 L553 I556 A601 K602 A608 G609 G610 A615A529-W605 HydrophobicContact CB-CD2 4.45Å; A529-W605 HydrophobicContact CB-CE3 4.13Å; A529-W605 HydrophobicContact CB-CH2 3.39Å; A529-W605 HydrophobicContact CB-CZ2 3.75Å; A529-W605 HydrophobicContact CB-CZ3 3.61Å; A530-W605 HydrophobicContact CB-CH2 4.47Å; M533-W605 HydrophobicContact CG-CZ2 4.37Å; W544-W605 HydrophobicContact CH2-CH2 4.35Å; W544-W605 AromaticContact CH2-CZ2 3.82Å; W544-W605 HydrophobicContact CH2-CZ2 3.82Å; W544-W605 AromaticContact CZ3-CH2 3.85Å; W544-W605 HydrophobicContact CZ3-CH2 3.85Å; W544-W605 AromaticContact CZ3-CZ2 3.79Å; W544-W605 HydrophobicContact CZ3-CZ2 3.79Å; L545-W605 HydrophobicContact CD2-CH2 3.95Å; L545-W605 HydrophobicContact CD2-CZ3 4.16Å; L549-W605 HydrophobicContact CD1-CD2 4.01Å; L549-W605 HydrophobicContact CD1-CE3 3.73Å; L549-W605 HydrophobicContact CD1-CH2 3.86Å; L549-W605 HydrophobicContact CD1-CZ2 4.12Å; L549-W605 HydrophobicContact CD1-CZ3 3.65Å; L549-W605 HydrophobicContact CD2-CZ3 4.3Å; L552-W605 HydrophobicContact CD2-CZ2 4.32Å; L553-W605 HydrophobicContact CD2-CB 4.24Å; I556-W605 HydrophobicContact CD1-CB 4.13Å; I556-W605 HydrophobicContact CD1-CG 4.16Å; A601-W605 WeakPolarHBondContact O-CB 3.44Å; A601-W605 PolarHBondContact O-N 3.11Å; K602-W605 PolarHBondContact O-N 3.44Å; W605-A608 PolarHBondContact O-N 3.44Å; W605-G609 PolarHBondContact O-N 3.1Å; W605-G610 PolarHBondContact NE1-O 3.15Å; W605-G610 PolarHBondContact O-N 3.03Å; W605-A615 HydrophobicContact CB-CB 4.1Å
606L89.3Confident88.7Confident44 Ų4442.9 Ų42.923%0.2324%0.235CC..Hα-helixtrans-64.9-46.4172.8-67.1172.1000111.2E525 E526 A529 K602 A608 G609E525-L606 HydrophobicContact CB-CD2 4.32Å; E526-L606 HydrophobicContact CB-CD2 4.37Å; E526-L606 HydrophobicContact CG-CD1 4.27Å; E526-L606 HydrophobicContact CG-CD2 3.89Å; A529-L606 HydrophobicContact CB-CD2 3.99Å; K602-L606 HydrophobicContact CG-CD1 4.28Å; K602-L606 VanDerWaalsContact O-CG 3.32Å; K602-L606 WeakPolarHBondContact O-CG 3.3Å; K602-L606 PolarHBondContact O-N 2.87Å; L606-A608 PolarHBondContact O-N 2.83Å; L606-G609 PolarHBondContact O-N 3.29Å
607A87.6Confident88.8Confident75 Ų7548.5 Ų48.562%0.6226%0.255SS*.Hα-helixtrans-62.4-25.5174.800000113.3L603 G609 Q618L603-A607 VanDerWaalsContact O-CB 3.3Å; L603-A607 WeakPolarHBondContact O-CB 3.32Å; L603-A607 PolarHBondContact O-N 2.9Å; A607-G609 VanDerWaalsContact C-N 3.33Å; A607-Q618 HydrophobicContact CB-CG 4.42Å
608A89.3Confident88.8Confident16 Ų1650 Ų5013%0.13226%0.259CS..THydrogen-bonded Turntrans-83.6-2.917400000114.4A604 W605 L606 N611 K614 A615A604-A608 WeakPolarHBondContact O-CB 3.28Å; A604-A608 PolarHBondContact O-N 2.95Å; W605-A608 PolarHBondContact O-N 3.44Å; L606-A608 PolarHBondContact O-N 2.83Å; A608-N611 WeakPolarHBondContact CB-O 3.49Å; A608-N611 PolarHBondContact O-N 3.49Å; A608-K614 HydrophobicContact CB-CB 3.68Å; A608-A615 HydrophobicContact CB-CB 3.97Å
609G83Confident88.9Confident32 Ų3243.8 Ų43.833%0.3324%0.237SC..THydrogen-bonded Turntrans64.339.6-17700000112.9W605 L606 A607 N611W605-G609 PolarHBondContact O-N 3.1Å; L606-G609 PolarHBondContact O-N 3.29Å; A607-G609 VanDerWaalsContact C-N 3.33Å; G609-N611 VanDerWaalsContact C-N 3.3Å; G609-N611 PolarHBondContact O-N 3.47Å
610G82.4Confident88.9Confident0 Ų043 Ų430%023%0.226CC..THydrogen-bonded Turntrans85.6-13.7-179.100000115.3M533 W605 K612M533-G610 WeakPolarHBondContact CE-O 3.37Å; W605-G610 PolarHBondContact NE1-O 3.15Å; W605-G610 PolarHBondContact O-N 3.03Å; G610-K612 PolarHBondContact O-N 2.95Å
611N87.2Confident88.8Confident56 Ų5648.8 Ų48.830%0.29925%0.248SC..  trans-78.1115-175.1179.9-99.9000113.3A608 G609 D613 K614 A615A608-N611 WeakPolarHBondContact CB-O 3.49Å; A608-N611 PolarHBondContact O-N 3.49Å; G609-N611 VanDerWaalsContact C-N 3.3Å; G609-N611 PolarHBondContact O-N 3.47Å; N611-D613 PolarHBondContact O-N 3.44Å; N611-K614 HydrophobicContact CB-CB 4.24Å; N611-K614 HydrophobicContact CB-CD 4.07Å; N611-K614 HydrophobicContact CB-CG 4.45Å; N611-K614 PolarHBondContact O-N 3.04Å; N611-K614 VanDerWaalsContact OD1-CB 3.3Å; N611-K614 WeakPolarHBondContact OD1-CB 3.35Å; N611-K614 WeakPolarHBondContact OD1-CG 3.34Å; N611-K614 PolarHBondContact OD1-N 3.07Å; N611-A615 PolarHBondContact O-N 2.87Å
612K87.1Confident88.8Confident59 Ų5951.4 Ų51.426%0.25726%0.261SS..Hα-helixtrans-52.4-51.8-176.6-161.9167.389170.20114.5L552 E555 I556 M559 G610 K614 A615 V616L552-K612 HydrophobicContact CD1-CD 3.46Å; L552-K612 VanDerWaalsContact CD1-CD 3.46Å; L552-K612 HydrophobicContact CD1-CG 3.98Å; E555-K612 IonicContact OE1-NZ 3.16Å; E555-K612 PolarHBondContact OE1-NZ 2.89Å; E555-K612 WeakPolarHBondContact OE2-CD 3.26Å; E555-K612 WeakPolarHBondContact OE2-CE 3.49Å; E555-K612 IonicContact OE2-NZ 3.78Å; E555-K612 PolarHBondContact OE2-NZ 3.35Å; I556-K612 HydrophobicContact CD1-CG 4.32Å; I556-K612 HydrophobicContact CG1-CG 3.87Å; M559-K612 HydrophobicContact CE-CD 3.63Å; M559-K612 HydrophobicContact CE-CG 3.65Å; G610-K612 PolarHBondContact O-N 2.95Å; K612-K614 PolarHBondContact O-N 3.4Å; K612-A615 VanDerWaalsContact O-CB 3.31Å; K612-A615 WeakPolarHBondContact O-CB 3.31Å; K612-A615 PolarHBondContact O-N 3.05Å; K612-A615 VanDerWaalsContact O-N 3.16Å; K612-V616 PolarHBondContact O-N 3.33Å
613D86.7Confident88.8Confident88 Ų8848.4 Ų48.447%0.47125%0.248SC..Hα-helixtrans-67.2-37.6-177-56.6-93.7000113.4N611 R617N611-D613 PolarHBondContact O-N 3.44Å; D613-R617 PolarHBondContact O-N 3.27Å; D613-R617 PolarHBondContact O-NH1 3.14Å; D613-R617 PolarHBondContact O-NH2 3.44Å
614K88.4Confident88.7Confident122 Ų12249.1 Ų49.153%0.5325%0.249SC..Hα-helixtrans-66.5-39.5172.2-75.2174-169.3175.70110.7A608 N611 K612 R617 Q618A608-K614 HydrophobicContact CB-CB 3.68Å; N611-K614 HydrophobicContact CB-CB 4.24Å; N611-K614 HydrophobicContact CB-CD 4.07Å; N611-K614 HydrophobicContact CB-CG 4.45Å; N611-K614 PolarHBondContact O-N 3.04Å; N611-K614 VanDerWaalsContact OD1-CB 3.3Å; N611-K614 WeakPolarHBondContact OD1-CB 3.35Å; N611-K614 WeakPolarHBondContact OD1-CG 3.34Å; N611-K614 PolarHBondContact OD1-N 3.07Å; K612-K614 PolarHBondContact O-N 3.4Å; K614-R617 CarbonylContact O-C 3.48Å; K614-R617 PolarHBondContact O-N 2.99Å; K614-Q618 VanDerWaalsContact O-CB 3.29Å; K614-Q618 WeakPolarHBondContact O-CB 3.33Å; K614-Q618 PolarHBondContact O-N 3.2Å
615A90.3Very high88.8Confident0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-59.4-49.8177.400000111.7I556 W605 A608 N611 K612 R617 Q618 L619I556-A615 HydrophobicContact CD1-CB 3.98Å; I556-A615 HydrophobicContact CG2-CB 4.3Å; W605-A615 HydrophobicContact CB-CB 4.1Å; A608-A615 HydrophobicContact CB-CB 3.97Å; N611-A615 PolarHBondContact O-N 2.87Å; K612-A615 VanDerWaalsContact O-CB 3.31Å; K612-A615 WeakPolarHBondContact O-CB 3.31Å; K612-A615 PolarHBondContact O-N 3.05Å; K612-A615 VanDerWaalsContact O-N 3.16Å; A615-R617 VanDerWaalsContact C-N 3.34Å; A615-R617 PolarHBondContact O-N 3Å; A615-Q618 PolarHBondContact O-N 3.16Å; A615-L619 VanDerWaalsContact O-CB 3.3Å; A615-L619 WeakPolarHBondContact O-CB 3.17Å; A615-L619 PolarHBondContact O-N 3.35Å
616V90.3Very high88.8Confident12 Ų1254.4 Ų54.47%0.07328%0.277CS..Hα-helixtrans-55.7-46.4176172.10000111.6I556 M559 A560 K612 Q618 L620I556-V616 HydrophobicContact CB-CG2 4.43Å; I556-V616 HydrophobicContact CG1-CG2 4.42Å; I556-V616 HydrophobicContact CG2-CG2 4.08Å; M559-V616 HydrophobicContact CB-CG1 4.37Å; M559-V616 HydrophobicContact CB-CG2 3.8Å; M559-V616 HydrophobicContact CE-CG2 4.11Å; A560-V616 HydrophobicContact CB-CG1 4.15Å; K612-V616 PolarHBondContact O-N 3.33Å; V616-Q618 VanDerWaalsContact C-N 3.31Å; V616-Q618 PolarHBondContact O-N 3.37Å; V616-L620 PolarHBondContact O-N 3.2Å
617R88.1Confident88.8Confident137 Ų13753 Ų5352%0.51727%0.269SS..Hα-helixtrans-72.2-18.5177.5-72-172.9-64.8-82.3-3.4114.2D613 K614 A615 R621D613-R617 PolarHBondContact O-N 3.27Å; D613-R617 PolarHBondContact O-NH1 3.14Å; D613-R617 PolarHBondContact O-NH2 3.44Å; K614-R617 CarbonylContact O-C 3.48Å; K614-R617 PolarHBondContact O-N 2.99Å; A615-R617 VanDerWaalsContact C-N 3.34Å; A615-R617 PolarHBondContact O-N 3Å; R617-R621 PolarHBondContact O-NE 2.97Å; R617-R621 PolarHBondContact O-NH2 2.67Å; R617-R621 VanDerWaalsContact O-NH2 3.08Å
618Q89.8Confident88.9Confident47 Ų4756.6 Ų56.622%0.2227%0.267CS..Hα-helixtrans-83.9-50.1175.9-172.258.346.500109.9A604 A607 K614 A615 V616 L620 R621 D622A604-Q618 HydrophobicContact CB-CB 4.25Å; A604-Q618 HydrophobicContact CB-CG 4.41Å; A607-Q618 HydrophobicContact CB-CG 4.42Å; K614-Q618 VanDerWaalsContact O-CB 3.29Å; K614-Q618 WeakPolarHBondContact O-CB 3.33Å; K614-Q618 PolarHBondContact O-N 3.2Å; A615-Q618 PolarHBondContact O-N 3.16Å; V616-Q618 VanDerWaalsContact C-N 3.31Å; V616-Q618 PolarHBondContact O-N 3.37Å; Q618-L620 PolarHBondContact O-N 3.23Å; Q618-R621 PolarHBondContact O-N 3.39Å; Q618-D622 WeakPolarHBondContact CG-OD2 3.45Å; Q618-D622 PolarHBondContact NE2-OD1 3.45Å; Q618-D622 PolarHBondContact NE2-OD2 2.78Å; Q618-D622 PolarHBondContact O-N 2.68Å
619L92Very high89.1Confident4 Ų460 Ų602%0.02128%0.28CS..Hα-helixtrans-47.2-51.9175.4178.553.1000112.9I556 A560 L596 E600 A601 A604 A615 R621 D622 R623I556-L619 HydrophobicContact CG2-CD2 3.9Å; A560-L619 HydrophobicContact CB-CD2 3.81Å; A560-L619 HydrophobicContact CB-CG 4.34Å; L596-L619 HydrophobicContact CD1-CD2 3.92Å; L596-L619 HydrophobicContact CD1-CG 4.08Å; L596-L619 HydrophobicContact CD2-CD1 4.17Å; L596-L619 HydrophobicContact CD2-CG 4.38Å; E600-L619 HydrophobicContact CB-CD1 3.48Å; E600-L619 VanDerWaalsContact CB-CD1 3.48Å; A601-L619 HydrophobicContact CB-CD2 4.13Å; A604-L619 HydrophobicContact CB-CB 3.74Å; A615-L619 VanDerWaalsContact O-CB 3.3Å; A615-L619 WeakPolarHBondContact O-CB 3.17Å; A615-L619 PolarHBondContact O-N 3.35Å; L619-R621 PolarHBondContact O-N 3.27Å; L619-D622 PolarHBondContact O-N 3.07Å; L619-R623 VanDerWaalsContact O-CB 3.29Å; L619-R623 WeakPolarHBondContact O-CB 3.48Å; L619-R623 PolarHBondContact O-N 2.91Å
620L89.4Confident89.4Confident29 Ų2958.4 Ų58.415%0.15226%0.264CS..Hα-helixtrans-65.5-36.6-179.7-69.5176.9000113.5A560 V563 Q564 L596 V616 Q618 Q624A560-L620 HydrophobicContact CB-CD1 4.42Å; A560-L620 HydrophobicContact CB-CD2 3.96Å; A560-L620 HydrophobicContact CB-CG 4.01Å; V563-L620 HydrophobicContact CB-CD1 4.2Å; V563-L620 HydrophobicContact CG1-CD1 3.79Å; Q564-L620 HydrophobicContact CB-CD2 4.11Å; Q564-L620 HydrophobicContact CG-CD2 4.38Å; L596-L620 HydrophobicContact CD1-CD2 4.3Å; V616-L620 PolarHBondContact O-N 3.2Å; Q618-L620 PolarHBondContact O-N 3.23Å; L620-Q624 WeakPolarHBondContact O-CB 3.32Å; L620-Q624 PolarHBondContact O-N 3.31Å; L620-Q624 VanDerWaalsContact O-N 3.1Å
621R89.6Confident89.7Confident128 Ų12861.2 Ų61.248%0.48328%0.277SS..Hα-helixtrans-71.1-44.4177.4-79.7-178.7-69.6126.68.3111.4R617 Q618 L619 R623 Q624 V625R617-R621 PolarHBondContact O-NE 2.97Å; R617-R621 PolarHBondContact O-NH2 2.67Å; R617-R621 VanDerWaalsContact O-NH2 3.08Å; Q618-R621 PolarHBondContact O-N 3.39Å; L619-R621 PolarHBondContact O-N 3.27Å; R621-R623 VanDerWaalsContact C-N 3.32Å; R621-R623 PolarHBondContact O-N 3.01Å; R621-Q624 PolarHBondContact O-N 3.35Å; R621-Q624 VanDerWaalsContact O-N 3.15Å; R621-V625 WeakPolarHBondContact O-CG2 3.48Å; R621-V625 PolarHBondContact O-N 3.29Å
622D90.3Very high89.8Confident54 Ų5463 Ų6329%0.28929%0.294SS..Hα-helixtrans-63.9-40.6178.9-65.5-26.1000111Q618 L619 Q624 V625 K626Q618-D622 WeakPolarHBondContact CG-OD2 3.45Å; Q618-D622 PolarHBondContact NE2-OD1 3.45Å; Q618-D622 PolarHBondContact NE2-OD2 2.78Å; Q618-D622 PolarHBondContact O-N 2.68Å; L619-D622 PolarHBondContact O-N 3.07Å; D622-Q624 PolarHBondContact O-N 3.38Å; D622-V625 PolarHBondContact O-N 3.19Å; D622-K626 WeakPolarHBondContact O-CD 3.46Å; D622-K626 WeakPolarHBondContact O-CG 3.39Å; D622-K626 PolarHBondContact O-N 3Å
623R89.8Confident89.7Confident7 Ų764.6 Ų64.63%0.02631%0.305CS..Hα-helixtrans-58.5-44.6171.7-169.172.9173.4-163.7-3111.9L596 E600 L619 R621 V625 K626 M627 E642L596-R623 HydrophobicContact CD2-CB 4.39Å; L596-R623 HydrophobicContact CD2-CG 3.95Å; E600-R623 VanDerWaalsContact CD-NH1 3.31Å; E600-R623 VanDerWaalsContact OE1-CD 3.3Å; E600-R623 WeakPolarHBondContact OE1-CD 3.29Å; E600-R623 IonicContact OE1-CZ 3.52Å; E600-R623 IonicContact OE1-NE 3.24Å; E600-R623 IonicContact OE1-NH1 3.55Å; E600-R623 PolarHBondContact OE1-NH1 3.09Å; E600-R623 IonicContact OE2-NH1 3.46Å; E600-R623 PolarHBondContact OE2-NH1 3.25Å; L619-R623 VanDerWaalsContact O-CB 3.29Å; L619-R623 WeakPolarHBondContact O-CB 3.48Å; L619-R623 PolarHBondContact O-N 2.91Å; R621-R623 VanDerWaalsContact C-N 3.32Å; R621-R623 PolarHBondContact O-N 3.01Å; R623-V625 PolarHBondContact O-N 2.78Å; R623-K626 PolarHBondContact O-N 2.94Å; R623-M627 WeakPolarHBondContact O-CB 3.49Å; R623-M627 WeakPolarHBondContact O-CG 3.11Å; R623-M627 PolarHBondContact O-N 2.67Å; R623-E642 PolarHBondContact NH2-O 3.43Å
624Q88.9Confident89.7Confident121 Ų12162.9 Ų62.957%0.56531%0.308SS*.Hα-helixtrans-70.7-25.8178.4-164.2-173.321.400113.6L620 R621 D622 R628L620-Q624 WeakPolarHBondContact O-CB 3.32Å; L620-Q624 PolarHBondContact O-N 3.31Å; L620-Q624 VanDerWaalsContact O-N 3.1Å; R621-Q624 PolarHBondContact O-N 3.35Å; R621-Q624 VanDerWaalsContact O-N 3.15Å; D622-Q624 PolarHBondContact O-N 3.38Å; Q624-R628 WeakPolarHBondContact O-CG 3.5Å; Q624-R628 PolarHBondContact O-NE 3.25Å
625V92.6Very high89.8Confident70 Ų7058.7 Ų58.742%0.42429%0.29SS..Hα-helixtrans-69.6-53.8169.2172.10000109.7R621 D622 R623 M627 R628 E629R621-V625 WeakPolarHBondContact O-CG2 3.48Å; R621-V625 PolarHBondContact O-N 3.29Å; D622-V625 PolarHBondContact O-N 3.19Å; R623-V625 PolarHBondContact O-N 2.78Å; V625-M627 VanDerWaalsContact C-N 3.34Å; V625-M627 PolarHBondContact O-N 3.11Å; V625-R628 PolarHBondContact O-N 3.39Å; V625-E629 PolarHBondContact O-N 2.84Å
626K92.6Very high89.5Confident41 Ų4166.1 Ų66.118%0.17832%0.324CS..Hα-helixtrans-58-41.4-178-67.2166.6-178.9-169.60113D622 R623 E629 L630 L645 G650 I652D622-K626 WeakPolarHBondContact O-CD 3.46Å; D622-K626 WeakPolarHBondContact O-CG 3.39Å; D622-K626 PolarHBondContact O-N 3Å; R623-K626 PolarHBondContact O-N 2.94Å; K626-E629 PolarHBondContact O-N 3.48Å; K626-L630 PolarHBondContact O-N 3.29Å; K626-L645 HydrophobicContact CB-CD1 3.82Å; K626-L645 HydrophobicContact CB-CD2 4.06Å; K626-L645 HydrophobicContact CD-CD2 4.47Å; K626-G650 WeakPolarHBondContact CD-O 3.04Å; K626-G650 VanDerWaalsContact CE-O 3.25Å; K626-G650 WeakPolarHBondContact CE-O 3.44Å; K626-G650 PolarHBondContact NZ-O 3.04Å; K626-I652 HydrophobicContact CB-CD1 4.34Å; K626-I652 HydrophobicContact CB-CG1 4.3Å; K626-I652 HydrophobicContact CG-CD1 3.89Å; K626-I652 HydrophobicContact CG-CG1 3.92Å
627M89.6Confident89.4Confident14 Ų1469 Ų697%0.06934%0.339CS..Hα-helixtrans-60.7-44.1174.4-75.3-63.4-6300112.6R623 V625 E629 L630 H631 M638 C641 E642 L645R623-M627 WeakPolarHBondContact O-CB 3.49Å; R623-M627 WeakPolarHBondContact O-CG 3.11Å; R623-M627 PolarHBondContact O-N 2.67Å; V625-M627 VanDerWaalsContact C-N 3.34Å; V625-M627 PolarHBondContact O-N 3.11Å; M627-E629 VanDerWaalsContact C-N 3.31Å; M627-E629 PolarHBondContact O-N 3.04Å; M627-L630 PolarHBondContact O-N 3.47Å; M627-H631 PolarHBondContact O-CD2 2.98Å; M627-H631 PolarHBondContact O-N 2.9Å; M627-M638 HydrophobicContact CE-CB 4.44Å; M627-M638 HydrophobicContact CE-CE 3.74Å; M627-M638 HydrophobicContact CE-SD 3.58Å; M627-M638 VanDerWaalsContact CE-SD 3.58Å; M627-C641 HydrophobicContact CE-CB 3.63Å; M627-C641 HydrophobicContact SD-CB 3.71Å; M627-E642 HydrophobicContact CE-CG 3.88Å; M627-E642 HydrophobicContact SD-CB 4.49Å; M627-E642 HydrophobicContact SD-CG 3.73Å; M627-L645 HydrophobicContact CG-CD1 4.11Å; M627-L645 HydrophobicContact SD-CD1 3.72Å
628R90.4Very high89.2Confident152 Ų15266.8 Ų66.857%0.57434%0.336SS*.Hα-helixtrans-66.9-33.1177.4-74.1179.9-68156-0.4112.4Q624 V625 H631 S632Q624-R628 WeakPolarHBondContact O-CG 3.5Å; Q624-R628 PolarHBondContact O-NE 3.25Å; V625-R628 PolarHBondContact O-N 3.39Å; R628-H631 PolarHBondContact O-N 3.49Å; R628-S632 WeakPolarHBondContact O-CB 3.17Å; R628-S632 PolarHBondContact O-N 3.24Å
629E92.4Very high89.1Confident86 Ų8668.8 Ų68.840%0.40236%0.355SS..Hα-helixtrans-65.2-48.7175.4-162.2171.6141.200111.2V625 K626 M627 H631 S632 L633 I652V625-E629 PolarHBondContact O-N 2.84Å; K626-E629 PolarHBondContact O-N 3.48Å; M627-E629 VanDerWaalsContact C-N 3.31Å; M627-E629 PolarHBondContact O-N 3.04Å; E629-H631 VanDerWaalsContact C-N 3.34Å; E629-H631 PolarHBondContact O-N 2.63Å; E629-S632 PolarHBondContact O-N 3.43Å; E629-S632 VanDerWaalsContact O-N 3.12Å; E629-S632 PolarHBondContact O-OG 2.6Å; E629-L633 WeakPolarHBondContact O-CG 3.25Å; E629-L633 PolarHBondContact O-N 2.96Å; E629-I652 HydrophobicContact CB-CD1 4.33Å; E629-I652 HydrophobicContact CG-CD1 4.28Å; E629-I652 WeakPolarHBondContact OE1-CD1 3.38Å; E629-I652 VanDerWaalsContact OE2-CD1 3.23Å; E629-I652 WeakPolarHBondContact OE2-CD1 3.47Å
630L89.3Confident88.9Confident0 Ų073.8 Ų73.80%038%0.378CS..Hα-helixtrans-59.1-42174.5-68.4179.2000112.6K626 M627 S632 L633 G634 F635 C641 L645 I652 A655 L656 L659K626-L630 PolarHBondContact O-N 3.29Å; M627-L630 PolarHBondContact O-N 3.47Å; L630-S632 VanDerWaalsContact C-N 3.34Å; L630-S632 PolarHBondContact O-N 3.38Å; L630-L633 PolarHBondContact O-N 2.94Å; L630-L633 VanDerWaalsContact O-N 3.13Å; L630-G634 PolarHBondContact O-N 2.74Å; L630-F635 PolarHBondContact O-N 3.07Å; L630-F635 VanDerWaalsContact O-N 3.16Å; L630-C641 HydrophobicContact CD1-CB 3.9Å; L630-L645 HydrophobicContact CD1-CD1 3.8Å; L630-L645 HydrophobicContact CD1-CD2 4.12Å; L630-L645 HydrophobicContact CD1-CG 3.72Å; L630-I652 HydrophobicContact CD2-CG2 3.87Å; L630-I652 HydrophobicContact CG-CG2 4.47Å; L630-A655 HydrophobicContact CD1-CB 4.13Å; L630-A655 HydrophobicContact CD2-CB 4.45Å; L630-L656 HydrophobicContact CD2-CD2 3.59Å; L630-L656 HydrophobicContact CD2-CG 3.67Å; L630-L659 HydrophobicContact CD1-CD1 4.16Å; L630-L659 HydrophobicContact CD2-CD1 4.25Å
631H89.7Confident88.9Confident58 Ų5872.4 Ų72.427%0.26937%0.371SS..Hα-helixtrans-63.9-37.3175.5-79.3-128000112.4M627 R628 E629 L633 G634 F635 Q636 M638M627-H631 PolarHBondContact O-CD2 2.98Å; M627-H631 PolarHBondContact O-N 2.9Å; R628-H631 PolarHBondContact O-N 3.49Å; E629-H631 VanDerWaalsContact C-N 3.34Å; E629-H631 PolarHBondContact O-N 2.63Å; H631-L633 PolarHBondContact O-N 3.2Å; H631-G634 PolarHBondContact O-N 3.47Å; H631-G634 VanDerWaalsContact O-N 3.1Å; H631-F635 WeakPolarHBondContact CA-O 3.46Å; H631-F635 PolarHBondContact CD2-O 3.33Å; H631-Q636 PolarHBondContact CE1-O 3.3Å; H631-M638 PolarHBondContact CE1-SD 2.86Å; H631-M638 PolarHBondContact NE2-SD 3.49Å
632S88.3Confident88.8Confident94 Ų9468 Ų6866%0.65736%0.356SS*.Hα-helixtrans-66.6-22.1175.377.40000113.5R628 E629 L630 G634R628-S632 WeakPolarHBondContact O-CB 3.17Å; R628-S632 PolarHBondContact O-N 3.24Å; E629-S632 PolarHBondContact O-N 3.43Å; E629-S632 VanDerWaalsContact O-N 3.12Å; E629-S632 PolarHBondContact O-OG 2.6Å; L630-S632 VanDerWaalsContact C-N 3.34Å; L630-S632 PolarHBondContact O-N 3.38Å; S632-G634 VanDerWaalsContact C-N 3.31Å
633L86.1Confident88.8Confident93 Ų9368.3 Ų68.349%0.48736%0.356SS..THydrogen-bonded Turntrans-90.18.1174.8-63.2171.2000112.9E629 L630 H631 F635 L656E629-L633 WeakPolarHBondContact O-CG 3.25Å; E629-L633 PolarHBondContact O-N 2.96Å; L630-L633 PolarHBondContact O-N 2.94Å; L630-L633 VanDerWaalsContact O-N 3.13Å; H631-L633 PolarHBondContact O-N 3.2Å; L633-F635 HydrophobicContact CB-CD2 4.16Å; L633-F635 HydrophobicContact CB-CE2 4.33Å; L633-L656 HydrophobicContact CB-CD2 4.45Å; L633-L656 HydrophobicContact CD1-CD1 3.77Å; L633-L656 HydrophobicContact CD1-CD2 3.81Å; L633-L656 HydrophobicContact CD1-CG 4.36Å
634G86.1Confident88.7Confident51 Ų5168.2 Ų68.253%0.52636%0.357SS..THydrogen-bonded Turntrans96.8-4.3174.200000115.6L630 H631 S632 Q636L630-G634 PolarHBondContact O-N 2.74Å; H631-G634 PolarHBondContact O-N 3.47Å; H631-G634 VanDerWaalsContact O-N 3.1Å; S632-G634 VanDerWaalsContact C-N 3.31Å; G634-Q636 PolarHBondContact O-N 3.31Å
635F89.8Confident88.8Confident34 Ų3462.5 Ų62.515%0.14933%0.33CS..  trans-85.993.1179.5-59.3-83.1000110.2L630 H631 L633 C641 L656 L659 Q660 L663L630-F635 PolarHBondContact O-N 3.07Å; L630-F635 VanDerWaalsContact O-N 3.16Å; H631-F635 WeakPolarHBondContact CA-O 3.46Å; H631-F635 PolarHBondContact CD2-O 3.33Å; L633-F635 HydrophobicContact CB-CD2 4.16Å; L633-F635 HydrophobicContact CB-CE2 4.33Å; F635-C641 PolarHBondContact O-SG 2.87Å; F635-L656 HydrophobicContact CD2-CD2 3.82Å; F635-L656 HydrophobicContact CE2-CD2 3.45Å; F635-L656 VanDerWaalsContact CE2-CD2 3.45Å; F635-L656 HydrophobicContact CZ-CD2 4.3Å; F635-L659 HydrophobicContact CB-CD1 4.17Å; F635-L659 HydrophobicContact CD1-CB 3.67Å; F635-L659 HydrophobicContact CD1-CD1 4.06Å; F635-L659 HydrophobicContact CD1-CD2 4.5Å; F635-L659 HydrophobicContact CD1-CG 4.29Å; F635-L659 HydrophobicContact CE1-CB 3.6Å; F635-L659 HydrophobicContact CG-CB 4.38Å; F635-L659 HydrophobicContact CG-CD1 3.98Å; F635-L659 HydrophobicContact CZ-CB 4.27Å; F635-Q660 HydrophobicContact CE1-CG 4.44Å; F635-Q660 HydrophobicContact CZ-CG 3.73Å; F635-L663 HydrophobicContact CE1-CD1 4Å
636Q84.5Confident88.6Confident156 Ų15663.5 Ų63.573%0.72933%0.326SS*.  trans-91.2-12.1-171.7-61.5-178.16.400114.6H631 G634 M638H631-Q636 PolarHBondContact CE1-O 3.3Å; G634-Q636 PolarHBondContact O-N 3.31Å; Q636-M638 PolarHBondContact O-N 2.76Å
637D88.6Confident88.4Confident72 Ų7266.8 Ų66.839%0.38534%0.342SS..  trans-75.1105176.2-174.2-35.7000110.2S639 Q640 C641D637-S639 VanDerWaalsContact C-N 3.27Å; D637-S639 PolarHBondContact O-N 2.96Å; D637-S639 WeakPolarHBondContact OD1-CA 3.44Å; D637-S639 WeakPolarHBondContact OD1-CB 3.4Å; D637-S639 PolarHBondContact OD1-N 3.13Å; D637-Q640 HydrophobicContact CB-CB 4.04Å; D637-Q640 HydrophobicContact CB-CG 4.16Å; D637-Q640 PolarHBondContact O-N 3.37Å; D637-Q640 PolarHBondContact OD1-N 2.66Å; D637-Q640 WeakPolarHBondContact OD2-CG 3.49Å; D637-Q640 PolarHBondContact OD2-NE2 2.84Å; D637-C641 WeakPolarHBondContact O-CB 3.4Å; D637-C641 PolarHBondContact O-N 3.31Å; D637-C641 PolarHBondContact O-SG 3.42Å
638M84.3Confident88.4Confident92 Ų9267.4 Ų67.445%0.45335%0.348SS..Hα-helixtrans-55.8-38.1177.5-74.1-73.7-58.900113.2M627 H631 Q636 E642M627-M638 HydrophobicContact CE-CB 4.44Å; M627-M638 HydrophobicContact CE-CE 3.74Å; M627-M638 HydrophobicContact CE-SD 3.58Å; M627-M638 VanDerWaalsContact CE-SD 3.58Å; H631-M638 PolarHBondContact CE1-SD 2.86Å; H631-M638 PolarHBondContact NE2-SD 3.49Å; Q636-M638 PolarHBondContact O-N 2.76Å; M638-E642 WeakPolarHBondContact O-CB 3.48Å; M638-E642 WeakPolarHBondContact O-CG 3.34Å; M638-E642 PolarHBondContact O-N 2.97Å
639S86.6Confident88.3Confident88 Ų8861.1 Ų61.162%0.61533%0.33SS*.Hα-helixtrans-74.5-45.2-175.7-169.40000110.8D637 E642 E643D637-S639 VanDerWaalsContact C-N 3.27Å; D637-S639 PolarHBondContact O-N 2.96Å; D637-S639 WeakPolarHBondContact OD1-CA 3.44Å; D637-S639 WeakPolarHBondContact OD1-CB 3.4Å; D637-S639 PolarHBondContact OD1-N 3.13Å; S639-E642 PolarHBondContact O-N 2.92Å; S639-E643 WeakPolarHBondContact O-CB 3.14Å; S639-E643 PolarHBondContact O-N 3.25Å
640Q87.6Confident87.9Confident110 Ų11057.1 Ų57.151%0.51431%0.312SS..Hα-helixtrans-64.5-40.1174.4-67-178.354.200111.5D637 E643 A644 L659D637-Q640 HydrophobicContact CB-CB 4.04Å; D637-Q640 HydrophobicContact CB-CG 4.16Å; D637-Q640 PolarHBondContact O-N 3.37Å; D637-Q640 PolarHBondContact OD1-N 2.66Å; D637-Q640 WeakPolarHBondContact OD2-CG 3.49Å; D637-Q640 PolarHBondContact OD2-NE2 2.84Å; Q640-E643 PolarHBondContact O-N 3.05Å; Q640-A644 WeakPolarHBondContact O-CB 3.17Å; Q640-A644 PolarHBondContact O-N 2.9Å; Q640-L659 HydrophobicContact CB-CD2 3.82Å
641C89.1Confident87.9Confident0 Ų060.9 Ų60.90%033%0.332CS..Hα-helixtrans-67.7-41.1176.6-68.30000112.7M627 L630 F635 D637 L645M627-C641 HydrophobicContact CE-CB 3.63Å; M627-C641 HydrophobicContact SD-CB 3.71Å; L630-C641 HydrophobicContact CD1-CB 3.9Å; F635-C641 PolarHBondContact O-SG 2.87Å; D637-C641 WeakPolarHBondContact O-CB 3.4Å; D637-C641 PolarHBondContact O-N 3.31Å; D637-C641 PolarHBondContact O-SG 3.42Å; C641-L645 WeakPolarHBondContact O-CB 3.38Å; C641-L645 WeakPolarHBondContact O-CG 3.4Å; C641-L645 PolarHBondContact O-N 3.08Å
642E88.8Confident87.9Confident34 Ų3459.4 Ų59.416%0.15933%0.326CS..Hα-helixtrans-64.5-43.3173.8-79.1-172.8-16500111.5R568 R623 M627 M638 S639 R646R568-E642 IonicContact NH2-OE1 3.04Å; R623-E642 PolarHBondContact NH2-O 3.43Å; M627-E642 HydrophobicContact CE-CG 3.88Å; M627-E642 HydrophobicContact SD-CB 4.49Å; M627-E642 HydrophobicContact SD-CG 3.73Å; M638-E642 WeakPolarHBondContact O-CB 3.48Å; M638-E642 WeakPolarHBondContact O-CG 3.34Å; M638-E642 PolarHBondContact O-N 2.97Å; S639-E642 PolarHBondContact O-N 2.92Å; E642-R646 WeakPolarHBondContact O-CB 2.89Å; E642-R646 PolarHBondContact O-N 3.42Å
643E89.3Confident87.9Confident62 Ų6262.5 Ų62.529%0.2933%0.327SS..Hα-helixtrans-69.4-40.9179.2179.956.2-160.900112.2S639 Q640 R646 Q647S639-E643 WeakPolarHBondContact O-CB 3.14Å; S639-E643 PolarHBondContact O-N 3.25Å; Q640-E643 PolarHBondContact O-N 3.05Å; E643-R646 WeakPolarHBondContact O-CB 3.4Å; E643-R646 PolarHBondContact O-N 3.5Å; E643-R646 VanDerWaalsContact O-N 3.15Å; E643-R646 IonicContact OE1-CZ 3.58Å; E643-R646 IonicContact OE1-NE 2.91Å; E643-R646 PolarHBondContact OE1-NE 2.88Å; E643-R646 IonicContact OE1-NH2 2.74Å; E643-R646 PolarHBondContact OE1-NH2 2.92Å; E643-R646 IonicContact OE2-CZ 2.73Å; E643-R646 IonicContact OE2-NE 3.19Å; E643-R646 PolarHBondContact OE2-NE 2.53Å; E643-R646 IonicContact OE2-NH2 3.61Å; E643-R646 PolarHBondContact OE2-NH2 2.72Å; E643-Q647 WeakPolarHBondContact O-CG 3.36Å; E643-Q647 PolarHBondContact O-N 3.49Å; E643-Q647 PolarHBondContact OE1-NE2 2.97Å
644A88.9Confident87.9Confident5 Ų559.2 Ų59.24%0.04132%0.316CS..Hα-helixtrans-63.1-43.2175.500000112Q640 R646 Q647 S648 A655 L658 L659Q640-A644 WeakPolarHBondContact O-CB 3.17Å; Q640-A644 PolarHBondContact O-N 2.9Å; A644-R646 VanDerWaalsContact C-N 3.31Å; A644-R646 PolarHBondContact O-N 2.83Å; A644-Q647 PolarHBondContact O-N 3.21Å; A644-S648 WeakPolarHBondContact O-CB 3.46Å; A644-S648 PolarHBondContact O-N 3.3Å; A644-S648 PolarHBondContact O-OG 3.43Å; A644-A655 HydrophobicContact CB-CB 3.94Å; A644-L658 HydrophobicContact CB-CB 4.29Å; A644-L658 HydrophobicContact CB-CD1 4.47Å; A644-L659 HydrophobicContact CB-CD1 4.15Å; A644-L659 HydrophobicContact CB-CD2 4.09Å; A644-L659 HydrophobicContact CB-CG 3.84Å
645L89.4Confident88.1Confident0 Ų056.8 Ų56.80%029%0.291CS..Hα-helixtrans-65.6-31.9172.8-75.4171.1000112.6K626 M627 L630 C641 S648 G650 A655K626-L645 HydrophobicContact CB-CD1 3.82Å; K626-L645 HydrophobicContact CB-CD2 4.06Å; K626-L645 HydrophobicContact CD-CD2 4.47Å; M627-L645 HydrophobicContact CG-CD1 4.11Å; M627-L645 HydrophobicContact SD-CD1 3.72Å; L630-L645 HydrophobicContact CD1-CD1 3.8Å; L630-L645 HydrophobicContact CD1-CD2 4.12Å; L630-L645 HydrophobicContact CD1-CG 3.72Å; C641-L645 WeakPolarHBondContact O-CB 3.38Å; C641-L645 WeakPolarHBondContact O-CG 3.4Å; C641-L645 PolarHBondContact O-N 3.08Å; L645-S648 WeakPolarHBondContact CA-OG 3.28Å; L645-S648 PolarHBondContact O-OG 2.96Å; L645-G650 VanDerWaalsContact O-CA 3.31Å; L645-G650 WeakPolarHBondContact O-CA 3.39Å; L645-G650 PolarHBondContact O-N 2.63Å; L645-A655 HydrophobicContact CD2-CB 3.77Å; L645-A655 HydrophobicContact CG-CB 4.04Å
646R89.6Confident88.1Confident92 Ų9256.5 Ų56.535%0.34729%0.291SS..Hα-helixtrans-68-44.8174.1-174.9-170.476.177.30.7111.2K595 E642 E643 A644 S648 G649K595-R646 VanDerWaalsContact CB-CD 3.48Å; K595-R646 WeakPolarHBondContact O-CD 3.46Å; K595-R646 WeakPolarHBondContact O-CG 3.36Å; E642-R646 WeakPolarHBondContact O-CB 2.89Å; E642-R646 PolarHBondContact O-N 3.42Å; E643-R646 WeakPolarHBondContact O-CB 3.4Å; E643-R646 PolarHBondContact O-N 3.5Å; E643-R646 VanDerWaalsContact O-N 3.15Å; E643-R646 IonicContact OE1-CZ 3.58Å; E643-R646 IonicContact OE1-NE 2.91Å; E643-R646 PolarHBondContact OE1-NE 2.88Å; E643-R646 IonicContact OE1-NH2 2.74Å; E643-R646 PolarHBondContact OE1-NH2 2.92Å; E643-R646 IonicContact OE2-CZ 2.73Å; E643-R646 IonicContact OE2-NE 3.19Å; E643-R646 PolarHBondContact OE2-NE 2.53Å; E643-R646 IonicContact OE2-NH2 3.61Å; E643-R646 PolarHBondContact OE2-NH2 2.72Å; A644-R646 VanDerWaalsContact C-N 3.31Å; A644-R646 PolarHBondContact O-N 2.83Å; R646-S648 VanDerWaalsContact C-N 3.35Å; R646-G649 PolarHBondContact O-N 3.39Å
647Q88.8Confident88.2Confident110 Ų11052 Ų5251%0.51428%0.277SS..Hα-helixtrans-67.2-33.9179.4-70.6-17819.900112.4E643 A644 G649 L658E643-Q647 WeakPolarHBondContact O-CG 3.36Å; E643-Q647 PolarHBondContact O-N 3.49Å; E643-Q647 PolarHBondContact OE1-NE2 2.97Å; A644-Q647 PolarHBondContact O-N 3.21Å; Q647-G649 VanDerWaalsContact C-N 3.28Å; Q647-G649 PolarHBondContact O-N 3.28Å; Q647-L658 HydrophobicContact CB-CD1 3.65Å
648S89.9Confident88.2Confident27 Ų2751 Ų5119%0.18927%0.271CS..THydrogen-bonded Turntrans-82.26.4177.7710000115A644 L645 R646 G650 D651A644-S648 WeakPolarHBondContact O-CB 3.46Å; A644-S648 PolarHBondContact O-N 3.3Å; A644-S648 PolarHBondContact O-OG 3.43Å; L645-S648 WeakPolarHBondContact CA-OG 3.28Å; L645-S648 PolarHBondContact O-OG 2.96Å; R646-S648 VanDerWaalsContact C-N 3.35Å; S648-G650 PolarHBondContact O-N 2.8Å; S648-D651 VanDerWaalsContact CB-O 3.27Å; S648-D651 WeakPolarHBondContact CB-O 3.3Å; S648-D651 PolarHBondContact O-N 2.71Å; S648-D651 VanDerWaalsContact O-N 3.13Å; S648-D651 PolarHBondContact OG-N 3.16Å; S648-D651 PolarHBondContact OG-O 2.74Å
649G86.8Confident88.4Confident19 Ų1947.4 Ų47.420%0.19625%0.253CS..THydrogen-bonded Turntrans62.525.1-173.800000113.4E600 R646 Q647E600-G649 WeakPolarHBondContact CG-O 3.45Å; R646-G649 PolarHBondContact O-N 3.39Å; Q647-G649 VanDerWaalsContact C-N 3.28Å; Q647-G649 PolarHBondContact O-N 3.28Å
650G85.1Confident88.4Confident3 Ų347.8 Ų47.83%0.03125%0.245CC..THydrogen-bonded Turntrans82.410.7-175.400000115.2K626 L645 S648K626-G650 WeakPolarHBondContact CD-O 3.04Å; K626-G650 VanDerWaalsContact CE-O 3.25Å; K626-G650 WeakPolarHBondContact CE-O 3.44Å; K626-G650 PolarHBondContact NZ-O 3.04Å; L645-G650 VanDerWaalsContact O-CA 3.31Å; L645-G650 WeakPolarHBondContact O-CA 3.39Å; L645-G650 PolarHBondContact O-N 2.63Å; S648-G650 PolarHBondContact O-N 2.8Å
651D88.6Confident88.3Confident79 Ų7950.1 Ų50.142%0.42225%0.249SC..  trans-78.4134.2170.3175.142.7000111.7S648 K653 G654 A655S648-D651 VanDerWaalsContact CB-O 3.27Å; S648-D651 WeakPolarHBondContact CB-O 3.3Å; S648-D651 PolarHBondContact O-N 2.71Å; S648-D651 VanDerWaalsContact O-N 3.13Å; S648-D651 PolarHBondContact OG-N 3.16Å; S648-D651 PolarHBondContact OG-O 2.74Å; D651-K653 PolarHBondContact OD1-N 2.89Å; D651-K653 WeakPolarHBondContact OD2-CB 3.22Å; D651-K653 PolarHBondContact OD2-N 3.28Å; D651-G654 PolarHBondContact OD2-N 3.32Å; D651-A655 WeakPolarHBondContact O-CB 3.45Å; D651-A655 PolarHBondContact O-N 3.21Å; D651-A655 VanDerWaalsContact O-N 3.09Å
652I89.2Confident88.1Confident26 Ų2654.2 Ų54.213%0.13328%0.276CS..Hα-helixtrans-74.4-36.2-179-51.2-178.8000110.4K626 E629 L630 A655 L656K626-I652 HydrophobicContact CB-CD1 4.34Å; K626-I652 HydrophobicContact CB-CG1 4.3Å; K626-I652 HydrophobicContact CG-CD1 3.89Å; K626-I652 HydrophobicContact CG-CG1 3.92Å; E629-I652 HydrophobicContact CB-CD1 4.33Å; E629-I652 HydrophobicContact CG-CD1 4.28Å; E629-I652 WeakPolarHBondContact OE1-CD1 3.38Å; E629-I652 VanDerWaalsContact OE2-CD1 3.23Å; E629-I652 WeakPolarHBondContact OE2-CD1 3.47Å; L630-I652 HydrophobicContact CD2-CG2 3.87Å; L630-I652 HydrophobicContact CG-CG2 4.47Å; I652-A655 PolarHBondContact O-N 3.13Å; I652-L656 HydrophobicContact CG2-CD1 4.06Å; I652-L656 HydrophobicContact CG2-CG 4.36Å; I652-L656 WeakPolarHBondContact O-CB 3.28Å; I652-L656 VanDerWaalsContact O-CG 3.27Å; I652-L656 WeakPolarHBondContact O-CG 3.31Å; I652-L656 PolarHBondContact O-N 3Å
653K88.3Confident87.8Confident160 Ų16058.4 Ų58.470%0.69630%0.299SS*.Hα-helixtrans-68.2-43.7179.6-63.7-179.4176-176.40111.4D651 L656 S657D651-K653 PolarHBondContact OD1-N 2.89Å; D651-K653 WeakPolarHBondContact OD2-CB 3.22Å; D651-K653 PolarHBondContact OD2-N 3.28Å; K653-L656 PolarHBondContact O-N 3.31Å; K653-S657 WeakPolarHBondContact O-CB 3.31Å; K653-S657 PolarHBondContact O-N 3.39Å; K653-S657 PolarHBondContact O-OG 3.4Å
654G87.5Confident87.2Confident23 Ų2360.4 Ų60.424%0.23731%0.31CS..Hα-helixtrans-59.7-44.7171.600000112.3D651 S657 L658D651-G654 PolarHBondContact OD2-N 3.32Å; G654-S657 WeakPolarHBondContact O-CB 3.28Å; G654-S657 PolarHBondContact O-N 3.32Å; G654-L658 WeakPolarHBondContact O-CG 3.37Å; G654-L658 PolarHBondContact O-N 3.49Å
655A89.5Confident86.8Confident0 Ų063.7 Ų63.70%032%0.324CS..Hα-helixtrans-62.9-46.3176.800000112.2L630 A644 L645 D651 I652 S657 L658 L659L630-A655 HydrophobicContact CD1-CB 4.13Å; L630-A655 HydrophobicContact CD2-CB 4.45Å; A644-A655 HydrophobicContact CB-CB 3.94Å; L645-A655 HydrophobicContact CD2-CB 3.77Å; L645-A655 HydrophobicContact CG-CB 4.04Å; D651-A655 WeakPolarHBondContact O-CB 3.45Å; D651-A655 PolarHBondContact O-N 3.21Å; D651-A655 VanDerWaalsContact O-N 3.09Å; I652-A655 PolarHBondContact O-N 3.13Å; A655-S657 VanDerWaalsContact C-N 3.28Å; A655-S657 PolarHBondContact O-N 3.16Å; A655-L658 PolarHBondContact O-N 3.14Å; A655-L659 VanDerWaalsContact O-CG 3.28Å; A655-L659 WeakPolarHBondContact O-CG 3.3Å; A655-L659 PolarHBondContact O-N 2.88Å
656L88.7Confident86.2Confident29 Ų2966.9 Ų66.915%0.15235%0.345CS..Hα-helixtrans-57.7-40.8173.2-73.9167.8000111.9L630 L633 F635 I652 K653 L658 L659 Q660L630-L656 HydrophobicContact CD2-CD2 3.59Å; L630-L656 HydrophobicContact CD2-CG 3.67Å; L633-L656 HydrophobicContact CB-CD2 4.45Å; L633-L656 HydrophobicContact CD1-CD1 3.77Å; L633-L656 HydrophobicContact CD1-CD2 3.81Å; L633-L656 HydrophobicContact CD1-CG 4.36Å; F635-L656 HydrophobicContact CD2-CD2 3.82Å; F635-L656 HydrophobicContact CE2-CD2 3.45Å; F635-L656 VanDerWaalsContact CE2-CD2 3.45Å; F635-L656 HydrophobicContact CZ-CD2 4.3Å; I652-L656 HydrophobicContact CG2-CD1 4.06Å; I652-L656 HydrophobicContact CG2-CG 4.36Å; I652-L656 WeakPolarHBondContact O-CB 3.28Å; I652-L656 VanDerWaalsContact O-CG 3.27Å; I652-L656 WeakPolarHBondContact O-CG 3.31Å; I652-L656 PolarHBondContact O-N 3Å; K653-L656 PolarHBondContact O-N 3.31Å; L656-L658 VanDerWaalsContact C-N 3.3Å; L656-L658 PolarHBondContact O-N 3.25Å; L656-L659 PolarHBondContact O-N 2.71Å; L656-Q660 VanDerWaalsContact O-CB 3.26Å; L656-Q660 WeakPolarHBondContact O-CB 3.26Å; L656-Q660 VanDerWaalsContact O-CG 3.24Å; L656-Q660 WeakPolarHBondContact O-CG 3.43Å; L656-Q660 PolarHBondContact O-N 2.73Å
657S87.7Confident85.3Confident62 Ų6267.7 Ų67.743%0.43435%0.351SS..Hα-helixtrans-65.3-33.8179.1-56.50000112.6K653 G654 A655 R661K653-S657 WeakPolarHBondContact O-CB 3.31Å; K653-S657 PolarHBondContact O-N 3.39Å; K653-S657 PolarHBondContact O-OG 3.4Å; G654-S657 WeakPolarHBondContact O-CB 3.28Å; G654-S657 PolarHBondContact O-N 3.32Å; A655-S657 VanDerWaalsContact C-N 3.28Å; A655-S657 PolarHBondContact O-N 3.16Å; S657-R661 WeakPolarHBondContact O-CB 3.14Å; S657-R661 PolarHBondContact O-N 2.85Å
658L88.6Confident84.6Confident51 Ų5166.8 Ų66.827%0.26735%0.346SS..Hα-helixtrans-73-39.6173.5-67.9168.6000111.9A644 Q647 G654 A655 L656 P662A644-L658 HydrophobicContact CB-CB 4.29Å; A644-L658 HydrophobicContact CB-CD1 4.47Å; Q647-L658 HydrophobicContact CB-CD1 3.65Å; G654-L658 WeakPolarHBondContact O-CG 3.37Å; G654-L658 PolarHBondContact O-N 3.49Å; A655-L658 PolarHBondContact O-N 3.14Å; L656-L658 VanDerWaalsContact C-N 3.3Å; L656-L658 PolarHBondContact O-N 3.25Å; L658-P662 WeakPolarHBondContact O-CD 3.4Å
659L88.9Confident84Confident15 Ų1570.1 Ų70.18%0.07936%0.359CS..Hα-helixtrans-75.3-32.3-179.7-66.5165.4000113.3L630 F635 Q640 A644 A655 L656L630-L659 HydrophobicContact CD1-CD1 4.16Å; L630-L659 HydrophobicContact CD2-CD1 4.25Å; F635-L659 HydrophobicContact CB-CD1 4.17Å; F635-L659 HydrophobicContact CD1-CB 3.67Å; F635-L659 HydrophobicContact CD1-CD1 4.06Å; F635-L659 HydrophobicContact CD1-CD2 4.5Å; F635-L659 HydrophobicContact CD1-CG 4.29Å; F635-L659 HydrophobicContact CE1-CB 3.6Å; F635-L659 HydrophobicContact CG-CB 4.38Å; F635-L659 HydrophobicContact CG-CD1 3.98Å; F635-L659 HydrophobicContact CZ-CB 4.27Å; Q640-L659 HydrophobicContact CB-CD2 3.82Å; A644-L659 HydrophobicContact CB-CD1 4.15Å; A644-L659 HydrophobicContact CB-CD2 4.09Å; A644-L659 HydrophobicContact CB-CG 3.84Å; A655-L659 VanDerWaalsContact O-CG 3.28Å; A655-L659 WeakPolarHBondContact O-CG 3.3Å; A655-L659 PolarHBondContact O-N 2.88Å; L656-L659 PolarHBondContact O-N 2.71Å
660Q86.9Confident83.3Confident97 Ų9777 Ų7745%0.45338%0.379SS..Hα-helixtrans-80.1-30.2-179.6-73.7175.1-19.200113.3F635 L656 L663 M664F635-Q660 HydrophobicContact CE1-CG 4.44Å; F635-Q660 HydrophobicContact CZ-CG 3.73Å; L656-Q660 VanDerWaalsContact O-CB 3.26Å; L656-Q660 WeakPolarHBondContact O-CB 3.26Å; L656-Q660 VanDerWaalsContact O-CG 3.24Å; L656-Q660 WeakPolarHBondContact O-CG 3.43Å; L656-Q660 PolarHBondContact O-N 2.73Å; Q660-L663 WeakPolarHBondContact O-CB 3.37Å; Q660-L663 PolarHBondContact O-N 3.34Å; Q660-L663 VanDerWaalsContact O-N 3.15Å; Q660-M664 PolarHBondContact O-N 2.89Å
661R84.3Confident82.5Confident158 Ų15881.5 Ų81.560%0.59640%0.402SS*.Hα-helixtrans-57.7-48.4-176.1-178.5-176.8-62.1144.61.8113S657 L663 M664 E665S657-R661 WeakPolarHBondContact O-CB 3.14Å; S657-R661 PolarHBondContact O-N 2.85Å; R661-L663 VanDerWaalsContact C-N 3.27Å; R661-L663 PolarHBondContact O-N 2.79Å; R661-M664 PolarHBondContact O-N 2.91Å; R661-M664 VanDerWaalsContact O-N 3.14Å; R661-E665 PolarHBondContact O-N 2.74Å
662P84.3Confident81.8Confident86 Ų8686.8 Ų86.856%0.55842%0.416SS*.Hα-helixtrans-61-32.2176.5-24.335000114.1L658 M664L658-P662 WeakPolarHBondContact O-CD 3.4Å; P662-M664 VanDerWaalsContact C-N 3.31Å; P662-M664 PolarHBondContact O-N 3.15Å
663L82.9Confident80.8Confident122 Ų12290.4 Ų90.464%0.63944%0.435SS*.Hα-helixtrans-71.4-27.4178.5-58.2177.3000112.4F635 Q660 R661F635-L663 HydrophobicContact CE1-CD1 4Å; Q660-L663 WeakPolarHBondContact O-CB 3.37Å; Q660-L663 PolarHBondContact O-N 3.34Å; Q660-L663 VanDerWaalsContact O-N 3.15Å; R661-L663 VanDerWaalsContact C-N 3.27Å; R661-L663 PolarHBondContact O-N 2.79Å
664M78.3Confident79.5Confident105 Ų10591.1 Ų91.152%0.51745%0.446SS..Hα-helixtrans-93-16.9179.6-64.9-89.663.500113.3Q660 R661 P662 F667 H668Q660-M664 PolarHBondContact O-N 2.89Å; R661-M664 PolarHBondContact O-N 2.91Å; R661-M664 VanDerWaalsContact O-N 3.14Å; P662-M664 VanDerWaalsContact C-N 3.31Å; P662-M664 PolarHBondContact O-N 3.15Å; M664-F667 HydrophobicContact CE-CB 4.12Å; M664-F667 HydrophobicContact CE-CD1 4.18Å; M664-F667 HydrophobicContact CE-CG 4.4Å; M664-F667 WeakPolarHBondContact O-CA 3.49Å; M664-F667 WeakPolarHBondContact O-CB 3.37Å; M664-F667 PolarHBondContact O-N 3.34Å; M664-H668 PolarHBondContact O-N 3.45Å
665E78.9Confident78.4Confident74 Ų7497 Ų9735%0.34647%0.468SS..Hα-helixtrans-52.3-44.3-179.2-173.257.8-147.400113.7R661 F667 H668 Q669R661-E665 PolarHBondContact O-N 2.74Å; E665-F667 PolarHBondContact O-N 3.47Å; E665-H668 PolarHBondContact O-N 2.9Å; E665-Q669 WeakPolarHBondContact O-CG 3.5Å; E665-Q669 PolarHBondContact O-N 2.83Å; E665-Q669 WeakPolarHBondContact OE1-CG 3.24Å; E665-Q669 PolarHBondContact OE1-NE2 2.74Å
666P77.4Confident77.3Confident67 Ų67102.5 Ų102.544%0.43550%0.503SS..Hα-helixtrans-68.1-20.6177.3-19.733.7000114.1R670P666-R670 WeakPolarHBondContact O-CG 3.31Å; P666-R670 PolarHBondContact O-NH1 3.35Å
667F70.8Confident76.3Confident108 Ų108106.7 Ų106.747%0.47452%0.522SS..Hα-helixtrans-83.9-42.5173.7172.9-109.8000110.8M664 E665 Q669 R670 I671M664-F667 HydrophobicContact CE-CB 4.12Å; M664-F667 HydrophobicContact CE-CD1 4.18Å; M664-F667 HydrophobicContact CE-CG 4.4Å; M664-F667 WeakPolarHBondContact O-CA 3.49Å; M664-F667 WeakPolarHBondContact O-CB 3.37Å; M664-F667 PolarHBondContact O-N 3.34Å; E665-F667 PolarHBondContact O-N 3.47Å; F667-Q669 PolarHBondContact O-N 3.39Å; F667-R670 PolarHBondContact O-N 3.13Å; F667-R670 VanDerWaalsContact O-N 3.16Å; F667-I671 HydrophobicContact CD1-CD1 4.09Å; F667-I671 HydrophobicContact CE1-CD1 3.62Å; F667-I671 HydrophobicContact CE2-CD1 4.27Å; F667-I671 HydrophobicContact CZ-CD1 3.73Å; F667-I671 PolarHBondContact O-N 3Å
668H73.4Confident75.7Confident91 Ų91107.4 Ų107.442%0.42153%0.525SS..Hα-helixtrans-56.9-47.8173.5-173.5-115.9000111.5M664 E665 R670 I671 W672M664-H668 PolarHBondContact O-N 3.45Å; E665-H668 PolarHBondContact O-N 2.9Å; H668-R670 VanDerWaalsContact C-N 3.3Å; H668-R670 PolarHBondContact O-N 3.02Å; H668-I671 PolarHBondContact O-N 3.21Å; H668-W672 AromaticContact CD2-CD1 3.73Å; H668-W672 AromaticContact CD2-NE1 3.36Å; H668-W672 PolarHBondContact CD2-NE1 3.3Å; H668-W672 AromaticContact CE1-CD1 3.66Å; H668-W672 AromaticContact CE1-NE1 3.54Å; H668-W672 AromaticContact ND1-CD1 3.98Å; H668-W672 AromaticContact NE2-CD1 3.51Å; H668-W672 AromaticContact NE2-NE1 2.95Å; H668-W672 PolarHBondContact NE2-NE1 3.11Å; H668-W672 PolarHBondContact O-N 3.39Å
669Q77.3Confident75.3Confident97 Ų97110.6 Ų110.645%0.45355%0.549SS..Hα-helixtrans-59.2-37.3175.8-70.8174.36.600112.8E665 F667 I671 W672 L673E665-Q669 WeakPolarHBondContact O-CG 3.5Å; E665-Q669 PolarHBondContact O-N 2.83Å; E665-Q669 WeakPolarHBondContact OE1-CG 3.24Å; E665-Q669 PolarHBondContact OE1-NE2 2.74Å; F667-Q669 PolarHBondContact O-N 3.39Å; Q669-I671 VanDerWaalsContact C-N 3.28Å; Q669-I671 PolarHBondContact O-N 3.37Å; Q669-W672 PolarHBondContact O-N 2.96Å; Q669-L673 HydrophobicContact CB-CD1 4.46Å; Q669-L673 VanDerWaalsContact O-CB 3.3Å; Q669-L673 WeakPolarHBondContact O-CB 3.32Å; Q669-L673 WeakPolarHBondContact O-CD1 3.35Å; Q669-L673 WeakPolarHBondContact O-CG 3.45Å; Q669-L673 PolarHBondContact O-N 3.15Å
670R72.6Confident75.1Confident163 Ų163110.7 Ų110.762%0.61555%0.549SS*.Hα-helixtrans-72.1-14.8176.2-74.9-170-55.3-90.80.3114.8P666 F667 H668P666-R670 WeakPolarHBondContact O-CG 3.31Å; P666-R670 PolarHBondContact O-NH1 3.35Å; F667-R670 PolarHBondContact O-N 3.13Å; F667-R670 VanDerWaalsContact O-N 3.16Å; H668-R670 VanDerWaalsContact C-N 3.3Å; H668-R670 PolarHBondContact O-N 3.02Å
671I68.3Low74.9Confident99 Ų99110 Ų11051%0.50855%0.549SS..Hα-helixtrans-84.3-34.3173.5-69.5168.9000110.7F667 H668 Q669F667-I671 HydrophobicContact CD1-CD1 4.09Å; F667-I671 HydrophobicContact CE1-CD1 3.62Å; F667-I671 HydrophobicContact CE2-CD1 4.27Å; F667-I671 HydrophobicContact CZ-CD1 3.73Å; F667-I671 PolarHBondContact O-N 3Å; H668-I671 PolarHBondContact O-N 3.21Å; Q669-I671 VanDerWaalsContact C-N 3.28Å; Q669-I671 PolarHBondContact O-N 3.37Å
672W73.1Confident74.9Confident190 Ų190104 Ų10472%0.7253%0.531SS*.Hα-helixtrans-98.5-9-176.5-59.9114.3000114.7H668 Q669H668-W672 AromaticContact CD2-CD1 3.73Å; H668-W672 AromaticContact CD2-NE1 3.36Å; H668-W672 PolarHBondContact CD2-NE1 3.3Å; H668-W672 AromaticContact CE1-CD1 3.66Å; H668-W672 AromaticContact CE1-NE1 3.54Å; H668-W672 AromaticContact ND1-CD1 3.98Å; H668-W672 AromaticContact NE2-CD1 3.51Å; H668-W672 AromaticContact NE2-NE1 2.95Å; H668-W672 PolarHBondContact NE2-NE1 3.11Å; H668-W672 PolarHBondContact O-N 3.39Å; Q669-W672 PolarHBondContact O-N 2.96Å
673L69.7Low74.8Confident101 Ų101108.2 Ų108.253%0.52954%0.54SS..SBendtrans-84.5120.5166.3-73.5167.5000109.1Q669 Q675Q669-L673 HydrophobicContact CB-CD1 4.46Å; Q669-L673 VanDerWaalsContact O-CB 3.3Å; Q669-L673 WeakPolarHBondContact O-CB 3.32Å; Q669-L673 WeakPolarHBondContact O-CD1 3.35Å; Q669-L673 WeakPolarHBondContact O-CG 3.45Å; Q669-L673 PolarHBondContact O-N 3.15Å; L673-Q675 HydrophobicContact CB-CG 4.05Å; L673-Q675 PolarHBondContact O-N 3.01Å
674D59.8Low74.9Confident176 Ų176104.3 Ų104.394%0.94152%0.518SS*.  trans-74.165.1-177.9-157.217000111.5
675Q65.3Low75.2Confident146 Ų146105 Ų10568%0.68253%0.531SS*.PPolyproline II helixtrans-95.5128.7-178-71.2-89-4200109.3L673 E677L673-Q675 HydrophobicContact CB-CG 4.05Å; L673-Q675 PolarHBondContact O-N 3.01Å; Q675-E677 PolarHBondContact O-N 3.43Å
676P66.1Low75.5Confident116 Ų116105.2 Ų105.275%0.75353%0.534SS*.PPolyproline II helixtrans-62.2128.6176.926.3-33.9000110.1
677E67.4Low75.9Confident117 Ų117107.5 Ų107.555%0.54754%0.537SS..PPolyproline II helixtrans-65.5127.5-173.4-160.3-176.7147.300110.6Q675 R693 L697Q675-E677 PolarHBondContact O-N 3.43Å; E677-R693 IonicContact OE1-CZ 3.07Å; E677-R693 IonicContact OE1-NE 4Å; E677-R693 PolarHBondContact OE1-NE 2.94Å; E677-R693 IonicContact OE1-NH2 3.37Å; E677-R693 PolarHBondContact OE1-NH2 3.14Å; E677-L697 WeakPolarHBondContact OE2-CD2 3.27Å
678P75.1Confident76.6Confident77 Ų77106.6 Ų106.650%0.554%0.535SS..PPolyproline II helixtrans-60.9137.1-172.921.6-34.7000111.6R693P678-R693 PolarHBondContact O-NH1 2.91Å; P678-R693 PolarHBondContact O-NH2 2.8Å
679P80.9Confident77.3Confident118 Ų118107.9 Ų107.977%0.76654%0.536SS*.PPolyproline II helixtrans-56.8153.4-175.322.3-33.7000112.7N681 R693P679-N681 PolarHBondContact O-N 2.94Å; P679-R693 PolarHBondContact O-NH1 3.33Å
680I84.1Confident77.9Confident16 Ų16103.5 Ų103.58%0.08252%0.515CS..PPolyproline II helixtrans-69.6120.7172.2-60.1-172.9000107.9P682 M690 R693 L694 L697 Y698 L722I680-P682 WeakPolarHBondContact O-CD 3.44Å; I680-M690 HydrophobicContact CG2-SD 4Å; I680-R693 HydrophobicContact CD1-CB 4.34Å; I680-L694 HydrophobicContact CD1-CD2 3.56Å; I680-L694 HydrophobicContact CD1-CG 3.86Å; I680-L697 HydrophobicContact CD1-CD1 4.11Å; I680-L697 HydrophobicContact CG1-CD1 4.26Å; I680-Y698 HydrophobicContact CD1-CD2 4.19Å; I680-Y698 HydrophobicContact CD1-CE2 3.71Å; I680-L722 HydrophobicContact CB-CD2 3.89Å; I680-L722 HydrophobicContact CD1-CD2 4.41Å; I680-L722 HydrophobicContact CG1-CD2 4.37Å
681N84.1Confident78.7Confident84 Ų8495.8 Ų95.845%0.44949%0.486SS..  trans-95.6109.3172.5177.2-7.4000108.5P679 K683 H684P679-N681 PolarHBondContact O-N 2.94Å; N681-K683 PolarHBondContact O-N 2.93Å; N681-K683 VanDerWaalsContact O-N 3.12Å; N681-K683 WeakPolarHBondContact OD1-CA 3.17Å; N681-K683 PolarHBondContact OD1-N 3.46Å; N681-H684 HydrophobicContact CB-CB 4.4Å; N681-H684 VanDerWaalsContact O-CB 3.29Å; N681-H684 WeakPolarHBondContact O-CB 3.43Å; N681-H684 PolarHBondContact O-N 3.19Å; N681-H684 VanDerWaalsContact O-N 3.12Å
682P83.2Confident79.6Confident32 Ų3298.6 Ų98.621%0.20849%0.491CS..THydrogen-bonded Turntrans-62.1-21.6-179.6-23.134.9000113.6I680 L713 Q714I680-P682 WeakPolarHBondContact O-CD 3.44Å; P682-L713 HydrophobicContact CB-CB 3.67Å; P682-L713 HydrophobicContact CG-CB 3.86Å; P682-L713 HydrophobicContact CG-CD1 4.19Å; P682-L713 HydrophobicContact CG-CG 4.48Å; P682-Q714 PolarHBondContact O-NE2 3.31Å
683K83.1Confident80.3Confident174 Ų17491.1 Ų91.176%0.75746%0.462SS*.THydrogen-bonded Turntrans-95.913.7-179-57.2-177.7-178.5179.50112.9N681N681-K683 PolarHBondContact O-N 2.93Å; N681-K683 VanDerWaalsContact O-N 3.12Å; N681-K683 WeakPolarHBondContact OD1-CA 3.17Å; N681-K683 PolarHBondContact OD1-N 3.46Å
684H85.2Confident81.2Confident40 Ų4086.3 Ų86.319%0.18544%0.437CS..  trans-63.2136.2175.5-172.7-88.5000111.5N681 D686 R689 M690N681-H684 HydrophobicContact CB-CB 4.4Å; N681-H684 VanDerWaalsContact O-CB 3.29Å; N681-H684 WeakPolarHBondContact O-CB 3.43Å; N681-H684 PolarHBondContact O-N 3.19Å; N681-H684 VanDerWaalsContact O-N 3.12Å; H684-D686 PolarHBondContact ND1-N 2.73Å; H684-D686 PolarHBondContact ND1-O 3.04Å; H684-D686 PolarHBondContact O-N 2.94Å; H684-R689 PolarHBondContact NE2-NH1 2.95Å; H684-M690 HydrophobicContact CB-CE 4.24Å; H684-M690 HydrophobicContact CB-CG 3.59Å; H684-M690 HydrophobicContact CB-SD 3.83Å
685P83.1Confident82.5Confident120 Ų12081 Ų8178%0.77941%0.408SS*.SBendtrans-66.4-39.8-172.524.3-34.2000113.3K687P685-K687 PolarHBondContact O-N 3.29Å
686D86Confident83.3Confident77 Ų7778.1 Ų78.141%0.41241%0.409SS..  trans-80.5100.7169.9-179.6-7.4000109.7H684 Q688 R689H684-D686 PolarHBondContact ND1-N 2.73Å; H684-D686 PolarHBondContact ND1-O 3.04Å; H684-D686 PolarHBondContact O-N 2.94Å; D686-Q688 WeakPolarHBondContact OD1-CA 3.43Å; D686-Q688 VanDerWaalsContact OD1-CB 3.32Å; D686-Q688 WeakPolarHBondContact OD1-CB 3.46Å; D686-Q688 PolarHBondContact OD1-N 2.76Å; D686-R689 HydrophobicContact CB-CB 4.11Å; D686-R689 VanDerWaalsContact CG-CB 3.49Å; D686-R689 PolarHBondContact OD1-N 2.74Å; D686-R689 WeakPolarHBondContact OD2-CB 3.33Å
687K85.9Confident84.3Confident116 Ų11676.3 Ų76.350%0.50439%0.393SS..Hα-helixtrans-70.4-32.8174.7-58.5-165.1-177.2-160.10112.5P685 M690 C691P685-K687 PolarHBondContact O-N 3.29Å; K687-M690 PolarHBondContact O-N 2.95Å; K687-M690 VanDerWaalsContact O-N 3.15Å; K687-C691 PolarHBondContact O-N 3.04Å
688Q85.5Confident85.1Confident89 Ų8973.5 Ų73.542%0.41638%0.378SS..Hα-helixtrans-65-40.8179.7-72.6-82-40.400111.1D686 C691 R692 W703D686-Q688 WeakPolarHBondContact OD1-CA 3.43Å; D686-Q688 VanDerWaalsContact OD1-CB 3.32Å; D686-Q688 WeakPolarHBondContact OD1-CB 3.46Å; D686-Q688 PolarHBondContact OD1-N 2.76Å; Q688-C691 PolarHBondContact O-N 2.82Å; Q688-R692 WeakPolarHBondContact O-CG 3.36Å; Q688-R692 PolarHBondContact O-N 3.46Å; Q688-R692 VanDerWaalsContact O-N 3.13Å; Q688-W703 WeakPolarHBondContact O-CH2 3.35Å; Q688-W703 VanDerWaalsContact OE1-CZ2 3.29Å
689R86.8Confident85.6Confident118 Ų11876 Ų7645%0.44539%0.387SS..Hα-helixtrans-59.2-44.2170.4-174.8-170.8-178.8-150.40.9111.7H684 D686 R692 R693H684-R689 PolarHBondContact NE2-NH1 2.95Å; D686-R689 HydrophobicContact CB-CB 4.11Å; D686-R689 VanDerWaalsContact CG-CB 3.49Å; D686-R689 PolarHBondContact OD1-N 2.74Å; D686-R689 WeakPolarHBondContact OD2-CB 3.33Å; R689-R692 PolarHBondContact O-N 3.48Å; R689-R693 WeakPolarHBondContact O-CG 3.2Å; R689-R693 PolarHBondContact O-N 2.69Å; R689-R693 VanDerWaalsContact O-N 3.11Å
690M90.5Very high85.8Confident4 Ų470.5 Ų70.52%0.0235%0.351CS..Hα-helixtrans-68.7-39.7-179.6-66.6-5797.900112.5I680 H684 K687 R692 R693 L694 L710I680-M690 HydrophobicContact CG2-SD 4Å; H684-M690 HydrophobicContact CB-CE 4.24Å; H684-M690 HydrophobicContact CB-CG 3.59Å; H684-M690 HydrophobicContact CB-SD 3.83Å; K687-M690 PolarHBondContact O-N 2.95Å; K687-M690 VanDerWaalsContact O-N 3.15Å; M690-R692 VanDerWaalsContact C-N 3.35Å; M690-R692 PolarHBondContact O-N 2.84Å; M690-R693 PolarHBondContact O-N 2.96Å; M690-L694 WeakPolarHBondContact O-CG 3.21Å; M690-L694 PolarHBondContact O-N 3.24Å; M690-L710 HydrophobicContact CB-CD1 3.71Å; M690-L710 HydrophobicContact CB-CD2 4Å; M690-L710 HydrophobicContact CB-CG 4.48Å
691C88.9Confident85.6Confident2 Ų273.9 Ų73.91%0.01437%0.374CS..Hα-helixtrans-59.8-42.3173.2-72.20000112.3K687 Q688 R693 L694 L695 W703 C706 E707 L710K687-C691 PolarHBondContact O-N 3.04Å; Q688-C691 PolarHBondContact O-N 2.82Å; C691-R693 VanDerWaalsContact C-N 3.33Å; C691-R693 PolarHBondContact O-N 2.84Å; C691-L694 PolarHBondContact O-N 2.92Å; C691-L695 WeakPolarHBondContact O-CB 3.36Å; C691-L695 PolarHBondContact O-N 3.42Å; C691-W703 HydrophobicContact CB-CD2 4.29Å; C691-W703 HydrophobicContact CB-CE3 4.22Å; C691-W703 HydrophobicContact CB-CH2 3.32Å; C691-W703 HydrophobicContact CB-CZ2 3.34Å; C691-W703 HydrophobicContact CB-CZ3 3.77Å; C691-C706 HydrophobicContact CB-CB 3.91Å; C691-E707 VanDerWaalsContact SG-CG 3.52Å; C691-L710 VanDerWaalsContact SG-CD1 3.55Å
692R87.4Confident85.8Confident157 Ų15772.5 Ų72.559%0.59237%0.371SS*.Hα-helixtrans-61.3-39.7174.5-68.6172.9-160.7174.58.3112.4Q688 R689 M690 A696 W703Q688-R692 WeakPolarHBondContact O-CG 3.36Å; Q688-R692 PolarHBondContact O-N 3.46Å; Q688-R692 VanDerWaalsContact O-N 3.13Å; R689-R692 PolarHBondContact O-N 3.48Å; M690-R692 VanDerWaalsContact C-N 3.35Å; M690-R692 PolarHBondContact O-N 2.84Å; R692-A696 WeakPolarHBondContact O-CB 2.91Å; R692-A696 PolarHBondContact O-N 3.41Å; R692-W703 HydrophobicContact CG-CH2 3.84Å; R692-W703 HydrophobicContact CG-CZ3 3.68Å
693R88.9Confident85.9Confident33 Ų3374.8 Ų74.813%0.12538%0.376CS..Hα-helixtrans-69.5-43.3177-69.5-169.173.3-143.3-4.7112.4E677 P678 P679 I680 R689 M690 C691 L695 A696 L697E677-R693 IonicContact OE1-CZ 3.07Å; E677-R693 IonicContact OE1-NE 4Å; E677-R693 PolarHBondContact OE1-NE 2.94Å; E677-R693 IonicContact OE1-NH2 3.37Å; E677-R693 PolarHBondContact OE1-NH2 3.14Å; P678-R693 PolarHBondContact O-NH1 2.91Å; P678-R693 PolarHBondContact O-NH2 2.8Å; P679-R693 PolarHBondContact O-NH1 3.33Å; I680-R693 HydrophobicContact CD1-CB 4.34Å; R689-R693 WeakPolarHBondContact O-CG 3.2Å; R689-R693 PolarHBondContact O-N 2.69Å; R689-R693 VanDerWaalsContact O-N 3.11Å; M690-R693 PolarHBondContact O-N 2.96Å; C691-R693 VanDerWaalsContact C-N 3.33Å; C691-R693 PolarHBondContact O-N 2.84Å; R693-L695 VanDerWaalsContact C-N 3.33Å; R693-L695 PolarHBondContact O-N 2.91Å; R693-A696 PolarHBondContact O-N 2.88Å; R693-L697 HydrophobicContact CB-CD1 4.36Å; R693-L697 VanDerWaalsContact O-CB 3.26Å; R693-L697 WeakPolarHBondContact O-CB 3.3Å; R693-L697 VanDerWaalsContact O-CG 3.29Å; R693-L697 WeakPolarHBondContact O-CG 3.41Å; R693-L697 PolarHBondContact O-N 3.5Å
694L87.9Confident86.1Confident0 Ų068.3 Ų68.30%036%0.358CS..Hα-helixtrans-58.7-45.6174.1-77.1168000111.7I680 M690 C691 Y698 L700 C706 A709 L710 L722 V726I680-L694 HydrophobicContact CD1-CD2 3.56Å; I680-L694 HydrophobicContact CD1-CG 3.86Å; M690-L694 WeakPolarHBondContact O-CG 3.21Å; M690-L694 PolarHBondContact O-N 3.24Å; C691-L694 PolarHBondContact O-N 2.92Å; L694-Y698 HydrophobicContact CD2-CD2 4.24Å; L694-Y698 WeakPolarHBondContact O-CB 3.42Å; L694-Y698 PolarHBondContact O-N 2.71Å; L694-L700 HydrophobicContact CB-CD1 4.04Å; L694-C706 HydrophobicContact CB-CB 4.32Å; L694-A709 HydrophobicContact CD1-CB 4.41Å; L694-L710 HydrophobicContact CD1-CD1 4.24Å; L694-L710 HydrophobicContact CD1-CD2 3.64Å; L694-L710 HydrophobicContact CD1-CG 3.53Å; L694-L722 HydrophobicContact CD2-CD1 3.79Å; L694-V726 HydrophobicContact CD2-CG2 4.14Å
695L87.4Confident86.2Confident64 Ų6468.3 Ų68.334%0.33536%0.357SS..Hα-helixtrans-60.3-47.2177.4-172.461.9000111.8C691 R693 D699 L700C691-L695 WeakPolarHBondContact O-CB 3.36Å; C691-L695 PolarHBondContact O-N 3.42Å; R693-L695 VanDerWaalsContact C-N 3.33Å; R693-L695 PolarHBondContact O-N 2.91Å; L695-D699 WeakPolarHBondContact O-CA 3.44Å; L695-D699 PolarHBondContact O-N 3.36Å; L695-D699 VanDerWaalsContact O-N 3.16Å; L695-L700 HydrophobicContact CD1-CB 4.46Å; L695-L700 WeakPolarHBondContact CD1-O 3.39Å
696A82.9Confident86.6Confident86 Ų8662.6 Ų62.671%0.71132%0.32SS*.Hα-helixtrans-74.9-36-176.200000114.3R692 R693R692-A696 WeakPolarHBondContact O-CB 2.91Å; R692-A696 PolarHBondContact O-N 3.41Å; R693-A696 PolarHBondContact O-N 2.88Å
697L85.4Confident86.8Confident78 Ų7863.1 Ų63.141%0.40832%0.32SS..Hα-helixtrans-87.8-32.7-174.9-66.9172.7000113.5E677 I680 R693E677-L697 WeakPolarHBondContact OE2-CD2 3.27Å; I680-L697 HydrophobicContact CD1-CD1 4.11Å; I680-L697 HydrophobicContact CG1-CD1 4.26Å; R693-L697 HydrophobicContact CB-CD1 4.36Å; R693-L697 VanDerWaalsContact O-CB 3.26Å; R693-L697 WeakPolarHBondContact O-CB 3.3Å; R693-L697 VanDerWaalsContact O-CG 3.29Å; R693-L697 WeakPolarHBondContact O-CG 3.41Å; R693-L697 PolarHBondContact O-N 3.5Å
698Y85.4Confident87Confident59 Ų5958.7 Ų58.723%0.23130%0.301CS..Hα-helixtrans-114.6-1.6-174-66.2-90.4000113.6I680 L694 L722 E723 V726 K730I680-Y698 HydrophobicContact CD1-CD2 4.19Å; I680-Y698 HydrophobicContact CD1-CE2 3.71Å; L694-Y698 HydrophobicContact CD2-CD2 4.24Å; L694-Y698 WeakPolarHBondContact O-CB 3.42Å; L694-Y698 PolarHBondContact O-N 2.71Å; Y698-L722 HydrophobicContact CE2-CD2 4.15Å; Y698-L722 HydrophobicContact CE2-CG 4.38Å; Y698-L722 WeakPolarHBondContact OH-CD2 3.35Å; Y698-E723 PolarHBondContact OH-OE1 3.47Å; Y698-V726 HydrophobicContact CD1-CB 4.32Å; Y698-V726 HydrophobicContact CD1-CG1 3.67Å; Y698-V726 HydrophobicContact CD1-CG2 4.2Å; Y698-V726 HydrophobicContact CD2-CG2 4.43Å; Y698-V726 HydrophobicContact CE1-CG1 4.49Å; Y698-V726 HydrophobicContact CG-CG1 3.9Å; Y698-V726 HydrophobicContact CG-CG2 4.12Å; Y698-K730 WeakPolarHBondContact O-CE 3.31Å; Y698-K730 PolarHBondContact O-NZ 3.15Å
699D85.4Confident87.3Confident128 Ų12854.4 Ų54.468%0.68428%0.281SS*.  trans50.865.7-179.2-168.635.8000112.1L695 K730L695-D699 WeakPolarHBondContact O-CA 3.44Å; L695-D699 PolarHBondContact O-N 3.36Å; L695-D699 VanDerWaalsContact O-N 3.16Å; D699-K730 WeakPolarHBondContact O-CE 3.48Å
700L83.9Confident87.5Confident3 Ų349.1 Ų49.12%0.01626%0.262CS..  trans-83.9137.2179.7-76.4-179.7000111.2L694 L695 S702 R705 C706 A709 V726 K730L694-L700 HydrophobicContact CB-CD1 4.04Å; L695-L700 HydrophobicContact CD1-CB 4.46Å; L695-L700 WeakPolarHBondContact CD1-O 3.39Å; L700-S702 PolarHBondContact O-N 3.47Å; L700-R705 HydrophobicContact CB-CB 4.41Å; L700-C706 HydrophobicContact CD1-CB 4.23Å; L700-A709 HydrophobicContact CD1-CB 4.47Å; L700-V726 HydrophobicContact CD2-CG1 4.13Å; L700-K730 HydrophobicContact CD2-CG 3.71Å
701P80.9Confident87.5Confident88 Ų8850.7 Ų50.757%0.57127%0.273SS*.SBendtrans-59.4-18.6-171-28.134.3000117R705P701-R705 HydrophobicContact CB-CG 4.38Å
702S87.5Confident87.4Confident55 Ų5550.7 Ų50.739%0.38527%0.273SS..  trans-162167.1173.978.50000112.8L700 G704 R705 C706L700-S702 PolarHBondContact O-N 3.47Å; S702-G704 VanDerWaalsContact C-N 3.27Å; S702-G704 PolarHBondContact O-N 2.97Å; S702-G704 PolarHBondContact OG-N 3.18Å; S702-R705 WeakPolarHBondContact O-CB 3.33Å; S702-R705 PolarHBondContact O-N 3.05Å; S702-R705 VanDerWaalsContact O-N 3.11Å; S702-R705 PolarHBondContact OG-N 3.36Å; S702-C706 PolarHBondContact O-N 2.92Å; S702-C706 PolarHBondContact O-SG 3.04Å
703W86Confident87.5Confident79 Ų7944.4 Ų44.430%0.29925%0.251SS..Hα-helixtrans-54.8-41.6170.5-172.5-90000112.8Q688 C691 R692 R705 C706 E707Q688-W703 WeakPolarHBondContact O-CH2 3.35Å; Q688-W703 VanDerWaalsContact OE1-CZ2 3.29Å; C691-W703 HydrophobicContact CB-CD2 4.29Å; C691-W703 HydrophobicContact CB-CE3 4.22Å; C691-W703 HydrophobicContact CB-CH2 3.32Å; C691-W703 HydrophobicContact CB-CZ2 3.34Å; C691-W703 HydrophobicContact CB-CZ3 3.77Å; R692-W703 HydrophobicContact CG-CH2 3.84Å; R692-W703 HydrophobicContact CG-CZ3 3.68Å; W703-R705 VanDerWaalsContact C-N 3.3Å; W703-R705 PolarHBondContact O-N 3.19Å; W703-C706 WeakPolarHBondContact O-CA 3.32Å; W703-C706 VanDerWaalsContact O-CB 3.26Å; W703-C706 WeakPolarHBondContact O-CB 3.39Å; W703-C706 PolarHBondContact O-N 2.72Å; W703-E707 VanDerWaalsContact CD1-CD 3.46Å; W703-E707 PolarHBondContact NE1-OE1 3.31Å; W703-E707 PolarHBondContact O-N 2.83Å
704G86.9Confident87.4Confident38 Ų3846 Ų4639%0.39226%0.26SS..Hα-helixtrans-64.9-30.7177.600000113.4S702 L708S702-G704 VanDerWaalsContact C-N 3.27Å; S702-G704 PolarHBondContact O-N 2.97Å; S702-G704 PolarHBondContact OG-N 3.18Å; G704-L708 VanDerWaalsContact O-CB 3.31Å; G704-L708 WeakPolarHBondContact O-CB 3.46Å; G704-L708 PolarHBondContact O-N 3.45Å
705R88Confident87.3Confident40 Ų4047.8 Ų47.815%0.15127%0.268CS..Hα-helixtrans-67-37.6169.6-62.7-58.3-172.190.6-2.1111.1L700 P701 S702 W703 L708 A709 V729 K730 S732L700-R705 HydrophobicContact CB-CB 4.41Å; P701-R705 HydrophobicContact CB-CG 4.38Å; S702-R705 WeakPolarHBondContact O-CB 3.33Å; S702-R705 PolarHBondContact O-N 3.05Å; S702-R705 VanDerWaalsContact O-N 3.11Å; S702-R705 PolarHBondContact OG-N 3.36Å; W703-R705 VanDerWaalsContact C-N 3.3Å; W703-R705 PolarHBondContact O-N 3.19Å; R705-L708 PolarHBondContact O-N 2.73Å; R705-A709 WeakPolarHBondContact O-CB 3.39Å; R705-A709 PolarHBondContact O-N 3.38Å; R705-V729 HydrophobicContact CB-CG1 3.86Å; R705-V729 WeakPolarHBondContact CD-O 3.34Å; R705-V729 PolarHBondContact NH1-O 2.87Å; R705-V729 WeakPolarHBondContact O-CG1 3.43Å; R705-K730 VanDerWaalsContact NH1-C 3.27Å; R705-K730 PolarHBondContact NH1-O 3.22Å; R705-S732 VanDerWaalsContact CZ-C 3.42Å; R705-S732 VanDerWaalsContact CZ-O 3.26Å; R705-S732 PolarHBondContact NH1-O 3.26Å
706C90.3Very high86.6Confident0 Ų049.5 Ų49.50%028%0.283CS..Hα-helixtrans-63.9-43.7175.7-53.30000112.3C691 L694 L700 S702 W703 A709 L710C691-C706 HydrophobicContact CB-CB 3.91Å; L694-C706 HydrophobicContact CB-CB 4.32Å; L700-C706 HydrophobicContact CD1-CB 4.23Å; S702-C706 PolarHBondContact O-N 2.92Å; S702-C706 PolarHBondContact O-SG 3.04Å; W703-C706 WeakPolarHBondContact O-CA 3.32Å; W703-C706 VanDerWaalsContact O-CB 3.26Å; W703-C706 WeakPolarHBondContact O-CB 3.39Å; W703-C706 PolarHBondContact O-N 2.72Å; C706-A709 PolarHBondContact O-N 3.39Å; C706-L710 PolarHBondContact O-N 3.45Å; C706-L710 VanDerWaalsContact O-N 3.13Å
707E90.4Very high85.9Confident88 Ų8853.6 Ų53.641%0.41129%0.293SS..Hα-helixtrans-66.7-39.6176.2-70179.8153.200111.9C691 W703 L710 S711C691-E707 VanDerWaalsContact SG-CG 3.52Å; W703-E707 VanDerWaalsContact CD1-CD 3.46Å; W703-E707 PolarHBondContact NE1-OE1 3.31Å; W703-E707 PolarHBondContact O-N 2.83Å; E707-L710 PolarHBondContact O-N 3.08Å; E707-S711 VanDerWaalsContact O-CB 3.32Å; E707-S711 WeakPolarHBondContact O-CB 3.32Å; E707-S711 PolarHBondContact O-N 2.92Å; E707-S711 PolarHBondContact O-OG 2.68Å
708L90.9Very high85.1Confident23 Ų2352 Ų5212%0.1229%0.287CS..Hα-helixtrans-59.9-47.7173.8-179.256.6000111.4G704 R705 L710 S711 L712 V729 H733 R735 I738G704-L708 VanDerWaalsContact O-CB 3.31Å; G704-L708 WeakPolarHBondContact O-CB 3.46Å; G704-L708 PolarHBondContact O-N 3.45Å; R705-L708 PolarHBondContact O-N 2.73Å; L708-L710 PolarHBondContact O-N 3.5Å; L708-S711 WeakPolarHBondContact CA-OG 3.48Å; L708-S711 PolarHBondContact O-N 3.32Å; L708-S711 VanDerWaalsContact O-N 3.14Å; L708-S711 PolarHBondContact O-OG 3.49Å; L708-L712 HydrophobicContact CD1-CD1 4.08Å; L708-L712 HydrophobicContact CD1-CG 4.37Å; L708-L712 HydrophobicContact CG-CD1 4.09Å; L708-L712 PolarHBondContact O-N 3.31Å; L708-V729 HydrophobicContact CB-CG1 4.25Å; L708-V729 HydrophobicContact CD2-CG1 4.27Å; L708-V729 HydrophobicContact CD2-CG2 4.44Å; L708-V729 HydrophobicContact CG-CG1 4.3Å; L708-V729 HydrophobicContact CG-CG2 4.25Å; L708-H733 WeakPolarHBondContact CD2-O 3.45Å; L708-R735 HydrophobicContact CD1-CB 4.21Å; L708-R735 HydrophobicContact CD1-CG 4.28Å; L708-I738 HydrophobicContact CD2-CD1 3.69Å; L708-I738 HydrophobicContact CG-CD1 4.41Å
709A91Very high84.4Confident0 Ų057.4 Ų57.40%032%0.32CS..Hα-helixtrans-58.7-48.1177.700000112.5L694 L700 R705 C706 S711 L712 L713 V725 V729L694-A709 HydrophobicContact CD1-CB 4.41Å; L700-A709 HydrophobicContact CD1-CB 4.47Å; R705-A709 WeakPolarHBondContact O-CB 3.39Å; R705-A709 PolarHBondContact O-N 3.38Å; C706-A709 PolarHBondContact O-N 3.39Å; A709-S711 VanDerWaalsContact C-N 3.3Å; A709-S711 PolarHBondContact O-N 3.22Å; A709-L712 PolarHBondContact O-N 3.47Å; A709-L713 WeakPolarHBondContact O-CG 3.26Å; A709-L713 PolarHBondContact O-N 3.17Å; A709-V725 HydrophobicContact CB-CG1 4.01Å; A709-V729 HydrophobicContact CB-CB 4.4Å; A709-V729 HydrophobicContact CB-CG1 4.08Å; A709-V729 HydrophobicContact CB-CG2 4.38Å
710L90.8Very high84.2Confident6 Ų652.6 Ų52.63%0.03129%0.292CS..Hα-helixtrans-60.5-40.2174.3-71.5179000112.4M690 C691 L694 C706 E707 L708 L712 L713 Q714M690-L710 HydrophobicContact CB-CD1 3.71Å; M690-L710 HydrophobicContact CB-CD2 4Å; M690-L710 HydrophobicContact CB-CG 4.48Å; C691-L710 VanDerWaalsContact SG-CD1 3.55Å; L694-L710 HydrophobicContact CD1-CD1 4.24Å; L694-L710 HydrophobicContact CD1-CD2 3.64Å; L694-L710 HydrophobicContact CD1-CG 3.53Å; C706-L710 PolarHBondContact O-N 3.45Å; C706-L710 VanDerWaalsContact O-N 3.13Å; E707-L710 PolarHBondContact O-N 3.08Å; L708-L710 PolarHBondContact O-N 3.5Å; L710-L712 VanDerWaalsContact C-N 3.25Å; L710-L712 PolarHBondContact O-N 3.06Å; L710-L713 CarbonylContact O-C 3.57Å; L710-L713 PolarHBondContact O-N 3.09Å; L710-Q714 WeakPolarHBondContact O-CB 3.45Å; L710-Q714 WeakPolarHBondContact O-CG 3.1Å; L710-Q714 PolarHBondContact O-N 2.68Å; L710-Q714 VanDerWaalsContact O-N 3.1Å
711S90.2Very high84.3Confident37 Ų3754.2 Ų54.226%0.25930%0.304SS..Hα-helixtrans-71.3-18.2-178.476.40000113.9E707 L708 A709 R735E707-S711 VanDerWaalsContact O-CB 3.32Å; E707-S711 WeakPolarHBondContact O-CB 3.32Å; E707-S711 PolarHBondContact O-N 2.92Å; E707-S711 PolarHBondContact O-OG 2.68Å; L708-S711 WeakPolarHBondContact CA-OG 3.48Å; L708-S711 PolarHBondContact O-N 3.32Å; L708-S711 VanDerWaalsContact O-N 3.14Å; L708-S711 PolarHBondContact O-OG 3.49Å; A709-S711 VanDerWaalsContact C-N 3.3Å; A709-S711 PolarHBondContact O-N 3.22Å; S711-R735 PolarHBondContact O-NH2 2.97Å; S711-R735 PolarHBondContact OG-NH1 3.31Å
712L88.8Confident84.5Confident3 Ų351.3 Ų51.32%0.01628%0.283CS..Hα-helixtrans-85.6-42.4172-75.8161.8000110.9L708 A709 L710 Q714 E715 V725 V729 R735 I738 R739L708-L712 HydrophobicContact CD1-CD1 4.08Å; L708-L712 HydrophobicContact CD1-CG 4.37Å; L708-L712 HydrophobicContact CG-CD1 4.09Å; L708-L712 PolarHBondContact O-N 3.31Å; A709-L712 PolarHBondContact O-N 3.47Å; L710-L712 VanDerWaalsContact C-N 3.25Å; L710-L712 PolarHBondContact O-N 3.06Å; L712-Q714 PolarHBondContact O-N 3.4Å; L712-Q714 VanDerWaalsContact O-N 3.1Å; L712-E715 PolarHBondContact O-N 2.84Å; L712-E715 VanDerWaalsContact O-N 3.13Å; L712-V725 HydrophobicContact CB-CG1 3.92Å; L712-V725 HydrophobicContact CD1-CG1 4.08Å; L712-V729 HydrophobicContact CD1-CG2 3.69Å; L712-R735 HydrophobicContact CD2-CG 3.96Å; L712-I738 HydrophobicContact CD1-CB 4.38Å; L712-I738 HydrophobicContact CD1-CD1 4.44Å; L712-I738 HydrophobicContact CD1-CG2 3.56Å; L712-R739 HydrophobicContact CD2-CG 4.21Å
713L88Confident84.5Confident25 Ų2553.4 Ų53.413%0.13129%0.287CS..THydrogen-bonded Turntrans-69.50.5172.3-64.6164.2000113.9P682 A709 L710 L722 V725P682-L713 HydrophobicContact CB-CB 3.67Å; P682-L713 HydrophobicContact CG-CB 3.86Å; P682-L713 HydrophobicContact CG-CD1 4.19Å; P682-L713 HydrophobicContact CG-CG 4.48Å; A709-L713 WeakPolarHBondContact O-CG 3.26Å; A709-L713 PolarHBondContact O-N 3.17Å; L710-L713 CarbonylContact O-C 3.57Å; L710-L713 PolarHBondContact O-N 3.09Å; L713-L722 HydrophobicContact CD1-CD1 3.64Å; L713-V725 HydrophobicContact CD1-CB 4.48Å; L713-V725 HydrophobicContact CD1-CG1 4.44Å; L713-V725 HydrophobicContact CD2-CB 4.14Å; L713-V725 HydrophobicContact CD2-CG2 3.68Å; L713-V725 HydrophobicContact CG-CB 4.16Å; L713-V725 HydrophobicContact CG-CG1 4.15Å; L713-V725 HydrophobicContact CG-CG2 4Å
714Q87.5Confident84.5Confident65 Ų6550.2 Ų50.230%0.30428%0.276SS..THydrogen-bonded Turntrans-112.70.4174.5-74.4170.319.900112.8P682 L710 L712P682-Q714 PolarHBondContact O-NE2 3.31Å; L710-Q714 WeakPolarHBondContact O-CB 3.45Å; L710-Q714 WeakPolarHBondContact O-CG 3.1Å; L710-Q714 PolarHBondContact O-N 2.68Å; L710-Q714 VanDerWaalsContact O-N 3.1Å; L712-Q714 PolarHBondContact O-N 3.4Å; L712-Q714 VanDerWaalsContact O-N 3.1Å
715E84.6Confident84.6Confident38 Ų3848.4 Ų48.418%0.17826%0.257CS..  trans-68.8141.3176.3-67.4-163.9134.900111.4L712 V718 R735 R739L712-E715 PolarHBondContact O-N 2.84Å; L712-E715 VanDerWaalsContact O-N 3.13Å; E715-V718 HydrophobicContact CB-CG2 4.04Å; E715-R735 VanDerWaalsContact CG-NH2 3.27Å; E715-R735 IonicContact OE1-CZ 3.75Å; E715-R735 VanDerWaalsContact OE1-CZ 3.28Å; E715-R735 IonicContact OE1-NE 2.69Å; E715-R735 PolarHBondContact OE1-NE 3.36Å; E715-R735 IonicContact OE1-NH2 3.65Å; E715-R735 PolarHBondContact OE1-NH2 3.37Å; E715-R739 IonicContact OE1-CZ 3.9Å; E715-R739 IonicContact OE1-NE 2.71Å; E715-R739 PolarHBondContact OE1-NE 2.82Å; E715-R739 VanDerWaalsContact OE1-NE 3.16Å; E715-R739 IonicContact OE1-NH2 2.66Å; E715-R739 PolarHBondContact OE1-NH2 3.07Å; E715-R739 WeakPolarHBondContact OE2-CD 3.39Å; E715-R739 IonicContact OE2-CZ 2.73Å; E715-R739 IonicContact OE2-NE 3.57Å; E715-R739 PolarHBondContact OE2-NE 3.4Å; E715-R739 IonicContact OE2-NH2 2.65Å
716P74.1Confident84.7Confident100 Ų10046.8 Ų46.865%0.64925%0.252SS*.THydrogen-bonded Turntrans-68.6155.4171.831-34.8000110.9V718P716-V718 VanDerWaalsContact O-CG2 3.24Å; P716-V718 WeakPolarHBondContact O-CG2 3.31Å; P716-V718 PolarHBondContact O-N 3.46Å; P716-V718 VanDerWaalsContact O-N 3.14Å
717D67.7Low84.5Confident172 Ų17250.9 Ų50.992%0.9227%0.271SS*.THydrogen-bonded Turntrans60.916.5172.8-49.5-40.6000116.6
718V68Low84.3Confident45 Ų4547 Ų4727%0.27325%0.254SS..  trans-128.8128.9176-131.60000114.1E715 P716 Y720E715-V718 HydrophobicContact CB-CG2 4.04Å; P716-V718 VanDerWaalsContact O-CG2 3.24Å; P716-V718 WeakPolarHBondContact O-CG2 3.31Å; P716-V718 PolarHBondContact O-N 3.46Å; P716-V718 VanDerWaalsContact O-N 3.14Å; V718-Y720 HydrophobicContact CB-CD2 4.25Å; V718-Y720 HydrophobicContact CB-CE1 4.32Å; V718-Y720 HydrophobicContact CB-CE2 3.97Å; V718-Y720 HydrophobicContact CG1-CD1 3.91Å; V718-Y720 HydrophobicContact CG1-CD2 4.33Å; V718-Y720 HydrophobicContact CG1-CE1 3.39Å; V718-Y720 HydrophobicContact CG1-CE2 3.87Å; V718-Y720 HydrophobicContact CG1-CG 4.37Å; V718-Y720 VanDerWaalsContact CG1-CZ 3.4Å; V718-Y720 HydrophobicContact CG2-CE2 4.31Å
719N71.3Confident84.2Confident173 Ų17345.9 Ų45.993%0.92525%0.248SC*.  trans-103.460.4-179.3-74.4-34.4000111.7
720Y81.8Confident83.9Confident26 Ų2649.3 Ų49.310%0.10226%0.263CS..  trans-75.9144.5171.7-51-49.3000111.4V718 V725 L742 N743V718-Y720 HydrophobicContact CB-CD2 4.25Å; V718-Y720 HydrophobicContact CB-CE1 4.32Å; V718-Y720 HydrophobicContact CB-CE2 3.97Å; V718-Y720 HydrophobicContact CG1-CD1 3.91Å; V718-Y720 HydrophobicContact CG1-CD2 4.33Å; V718-Y720 HydrophobicContact CG1-CE1 3.39Å; V718-Y720 HydrophobicContact CG1-CE2 3.87Å; V718-Y720 HydrophobicContact CG1-CG 4.37Å; V718-Y720 VanDerWaalsContact CG1-CZ 3.4Å; V718-Y720 HydrophobicContact CG2-CE2 4.31Å; Y720-V725 VanDerWaalsContact CB-CG2 3.46Å; Y720-V725 HydrophobicContact CD2-CG2 3.98Å; Y720-V725 HydrophobicContact CG-CG2 4.01Å; Y720-L742 HydrophobicContact CD1-CB 3.62Å; Y720-L742 HydrophobicContact CD1-CD1 4Å; Y720-L742 HydrophobicContact CD1-CG 4.3Å; Y720-L742 HydrophobicContact CD2-CD1 3.9Å; Y720-L742 HydrophobicContact CE1-CB 3.23Å; Y720-L742 HydrophobicContact CE1-CD1 3.95Å; Y720-L742 HydrophobicContact CE1-CG 4.2Å; Y720-L742 HydrophobicContact CE2-CD1 3.85Å; Y720-L742 HydrophobicContact CG-CB 4.42Å; Y720-L742 HydrophobicContact CG-CD1 3.95Å; Y720-N743 WeakPolarHBondContact CE1-OD1 3.33Å; Y720-N743 PolarHBondContact OH-ND2 3.21Å; Y720-N743 VanDerWaalsContact OH-ND2 3.16Å
721S84.8Confident83.4Confident38 Ų3854.6 Ų54.627%0.26629%0.288SS..  trans-78.4156.6167.583.20000111.2E723 D724 V725S721-E723 VanDerWaalsContact C-N 3.3Å; S721-E723 PolarHBondContact O-N 2.91Å; S721-D724 WeakPolarHBondContact CB-OD2 3.32Å; S721-D724 PolarHBondContact O-N 2.8Å; S721-D724 PolarHBondContact OG-N 3.29Å; S721-D724 VanDerWaalsContact OG-N 3.11Å; S721-D724 PolarHBondContact OG-OD2 3.04Å; S721-V725 WeakPolarHBondContact O-CG2 3.39Å; S721-V725 PolarHBondContact O-N 3.44Å; S721-V725 VanDerWaalsContact O-N 3.16Å
722L86.6Confident83Confident27 Ų2753.6 Ų53.614%0.14128%0.28CS..Hα-helixtrans-58.2-44.8176.1170.957.7000110.9I680 L694 Y698 L713 V725 V726I680-L722 HydrophobicContact CB-CD2 3.89Å; I680-L722 HydrophobicContact CD1-CD2 4.41Å; I680-L722 HydrophobicContact CG1-CD2 4.37Å; L694-L722 HydrophobicContact CD2-CD1 3.79Å; Y698-L722 HydrophobicContact CE2-CD2 4.15Å; Y698-L722 HydrophobicContact CE2-CG 4.38Å; Y698-L722 WeakPolarHBondContact OH-CD2 3.35Å; L713-L722 HydrophobicContact CD1-CD1 3.64Å; L722-V725 PolarHBondContact O-N 2.83Å; L722-V726 HydrophobicContact CD1-CG2 3.96Å; L722-V726 VanDerWaalsContact O-CB 3.32Å; L722-V726 WeakPolarHBondContact O-CB 3.49Å; L722-V726 VanDerWaalsContact O-CG2 3.26Å; L722-V726 WeakPolarHBondContact O-CG2 3.27Å; L722-V726 PolarHBondContact O-N 2.91Å
723E86.6Confident82.7Confident98 Ų9860.2 Ų60.246%0.45831%0.311SS..Hα-helixtrans-65.6-43.7-177.7-70.557.3-128.600112Y698 S721 V726 Q727Y698-E723 PolarHBondContact OH-OE1 3.47Å; S721-E723 VanDerWaalsContact C-N 3.3Å; S721-E723 PolarHBondContact O-N 2.91Å; E723-V726 PolarHBondContact O-N 3.32Å; E723-Q727 WeakPolarHBondContact O-CB 3.33Å; E723-Q727 PolarHBondContact O-N 3.39Å
724D87.1Confident82.7Confident13 Ų1362.2 Ų62.27%0.0732%0.322CS..Hα-helixtrans-66.1-43.2178.4-63.2-57.2000111.4S721 Q727 A728 L742 P754 S756 K757S721-D724 WeakPolarHBondContact CB-OD2 3.32Å; S721-D724 PolarHBondContact O-N 2.8Å; S721-D724 PolarHBondContact OG-N 3.29Å; S721-D724 VanDerWaalsContact OG-N 3.11Å; S721-D724 PolarHBondContact OG-OD2 3.04Å; D724-Q727 PolarHBondContact O-N 3.31Å; D724-A728 PolarHBondContact O-N 2.87Å; D724-L742 HydrophobicContact CB-CD2 3.82Å; D724-P754 HydrophobicContact CB-CB 3.88Å; D724-P754 HydrophobicContact CB-CG 3.9Å; D724-S756 PolarHBondContact OD1-OG 2.74Å; D724-K757 WeakPolarHBondContact OD1-CE 3.42Å; D724-K757 IonicContact OD1-NZ 3.03Å; D724-K757 PolarHBondContact OD1-NZ 3.42Å; D724-K757 IonicContact OD2-NZ 2.76Å; D724-K757 PolarHBondContact OD2-NZ 3.19Å
725V88.5Confident82.6Confident0 Ų062.6 Ų62.60%032%0.32CS..Hα-helixtrans-63.5-47.1175.9175.40000110.4A709 L712 L713 Y720 S721 L722 Q727 A728 V729 L742A709-V725 HydrophobicContact CB-CG1 4.01Å; L712-V725 HydrophobicContact CB-CG1 3.92Å; L712-V725 HydrophobicContact CD1-CG1 4.08Å; L713-V725 HydrophobicContact CD1-CB 4.48Å; L713-V725 HydrophobicContact CD1-CG1 4.44Å; L713-V725 HydrophobicContact CD2-CB 4.14Å; L713-V725 HydrophobicContact CD2-CG2 3.68Å; L713-V725 HydrophobicContact CG-CB 4.16Å; L713-V725 HydrophobicContact CG-CG1 4.15Å; L713-V725 HydrophobicContact CG-CG2 4Å; Y720-V725 VanDerWaalsContact CB-CG2 3.46Å; Y720-V725 HydrophobicContact CD2-CG2 3.98Å; Y720-V725 HydrophobicContact CG-CG2 4.01Å; S721-V725 WeakPolarHBondContact O-CG2 3.39Å; S721-V725 PolarHBondContact O-N 3.44Å; S721-V725 VanDerWaalsContact O-N 3.16Å; L722-V725 PolarHBondContact O-N 2.83Å; V725-Q727 VanDerWaalsContact C-N 3.31Å; V725-Q727 PolarHBondContact O-N 3.5Å; V725-A728 PolarHBondContact O-N 3.18Å; V725-V729 HydrophobicContact CG1-CG2 3.93Å; V725-V729 WeakPolarHBondContact O-CB 3.45Å; V725-V729 WeakPolarHBondContact O-CG2 3.15Å; V725-V729 PolarHBondContact O-N 3.34Å; V725-L742 HydrophobicContact CG2-CD1 3.89Å
726V89.3Confident82.6Confident5 Ų565.5 Ų65.53%0.0333%0.334CS..Hα-helixtrans-56.2-45.7177.5159.90000110.9L694 Y698 L700 L722 E723 V729 K730L694-V726 HydrophobicContact CD2-CG2 4.14Å; Y698-V726 HydrophobicContact CD1-CB 4.32Å; Y698-V726 HydrophobicContact CD1-CG1 3.67Å; Y698-V726 HydrophobicContact CD1-CG2 4.2Å; Y698-V726 HydrophobicContact CD2-CG2 4.43Å; Y698-V726 HydrophobicContact CE1-CG1 4.49Å; Y698-V726 HydrophobicContact CG-CG1 3.9Å; Y698-V726 HydrophobicContact CG-CG2 4.12Å; L700-V726 HydrophobicContact CD2-CG1 4.13Å; L722-V726 HydrophobicContact CD1-CG2 3.96Å; L722-V726 VanDerWaalsContact O-CB 3.32Å; L722-V726 WeakPolarHBondContact O-CB 3.49Å; L722-V726 VanDerWaalsContact O-CG2 3.26Å; L722-V726 WeakPolarHBondContact O-CG2 3.27Å; L722-V726 PolarHBondContact O-N 2.91Å; E723-V726 PolarHBondContact O-N 3.32Å; V726-V729 CarbonylContact O-C 3.49Å; V726-V729 PolarHBondContact O-N 3.27Å; V726-K730 WeakPolarHBondContact O-CG 3.35Å; V726-K730 PolarHBondContact O-N 3.49Å
727Q86Confident83Confident86 Ų8663 Ų6340%0.40231%0.313SS..Hα-helixtrans-65.2-48.9-179.3-173.459.927.900111.9E723 D724 V725 V729 K730 E731E723-Q727 WeakPolarHBondContact O-CB 3.33Å; E723-Q727 PolarHBondContact O-N 3.39Å; D724-Q727 PolarHBondContact O-N 3.31Å; V725-Q727 VanDerWaalsContact C-N 3.31Å; V725-Q727 PolarHBondContact O-N 3.5Å; Q727-V729 PolarHBondContact O-N 2.9Å; Q727-K730 WeakPolarHBondContact O-CB 3.34Å; Q727-K730 PolarHBondContact O-N 2.92Å; Q727-E731 PolarHBondContact NE2-OE1 3.34Å; Q727-E731 PolarHBondContact O-N 3.37Å
728A86.1Confident83.9Confident7 Ų754.8 Ų54.86%0.05827%0.269CS..Hα-helixtrans-61.3-33.717700000112.3D724 V725 E731 S732 I738 L742D724-A728 PolarHBondContact O-N 2.87Å; V725-A728 PolarHBondContact O-N 3.18Å; A728-E731 PolarHBondContact O-N 3.46Å; A728-S732 PolarHBondContact O-N 3.22Å; A728-I738 HydrophobicContact CB-CG1 4.3Å; A728-I738 HydrophobicContact CB-CG2 3.84Å; A728-L742 HydrophobicContact CB-CD2 4.14Å; A728-L742 HydrophobicContact CB-CG 4.37Å
729V88.9Confident84.7Confident0 Ų055.4 Ų55.40%027%0.266CS..Hα-helixtrans-83.3-8.5177.6178.10000113R705 L708 A709 L712 V725 V726 Q727 I738R705-V729 HydrophobicContact CB-CG1 3.86Å; R705-V729 WeakPolarHBondContact CD-O 3.34Å; R705-V729 PolarHBondContact NH1-O 2.87Å; R705-V729 WeakPolarHBondContact O-CG1 3.43Å; L708-V729 HydrophobicContact CB-CG1 4.25Å; L708-V729 HydrophobicContact CD2-CG1 4.27Å; L708-V729 HydrophobicContact CD2-CG2 4.44Å; L708-V729 HydrophobicContact CG-CG1 4.3Å; L708-V729 HydrophobicContact CG-CG2 4.25Å; A709-V729 HydrophobicContact CB-CB 4.4Å; A709-V729 HydrophobicContact CB-CG1 4.08Å; A709-V729 HydrophobicContact CB-CG2 4.38Å; L712-V729 HydrophobicContact CD1-CG2 3.69Å; V725-V729 HydrophobicContact CG1-CG2 3.93Å; V725-V729 WeakPolarHBondContact O-CB 3.45Å; V725-V729 WeakPolarHBondContact O-CG2 3.15Å; V725-V729 PolarHBondContact O-N 3.34Å; V726-V729 CarbonylContact O-C 3.49Å; V726-V729 PolarHBondContact O-N 3.27Å; Q727-V729 PolarHBondContact O-N 2.9Å; V729-I738 HydrophobicContact CB-CD1 4.5Å; V729-I738 HydrophobicContact CG2-CD1 3.73Å; V729-I738 HydrophobicContact CG2-CG2 4.3Å
730K85.3Confident85.3Confident72 Ų7253.8 Ų53.831%0.31325%0.247SC..Hα-helixtrans-76.5-44.2160-75.8-176.2175.8-163.80110.9Y698 D699 L700 R705 V726 Q727Y698-K730 WeakPolarHBondContact O-CE 3.31Å; Y698-K730 PolarHBondContact O-NZ 3.15Å; D699-K730 WeakPolarHBondContact O-CE 3.48Å; L700-K730 HydrophobicContact CD2-CG 3.71Å; R705-K730 VanDerWaalsContact NH1-C 3.27Å; R705-K730 PolarHBondContact NH1-O 3.22Å; V726-K730 WeakPolarHBondContact O-CG 3.35Å; V726-K730 PolarHBondContact O-N 3.49Å; Q727-K730 WeakPolarHBondContact O-CB 3.34Å; Q727-K730 PolarHBondContact O-N 2.92Å
731E79.9Confident85.4Confident117 Ų11753.2 Ų53.255%0.54725%0.246SC..Hα-helixtrans-73.7-40.2-174.3-69167.5-159.300112.6Q727 A728Q727-E731 PolarHBondContact NE2-OE1 3.34Å; Q727-E731 PolarHBondContact O-N 3.37Å; A728-E731 PolarHBondContact O-N 3.46Å
732S81.6Confident85.4Confident15 Ų1551.6 Ų51.611%0.10524%0.235CC..  trans-133.1160.2-176.7-172.20000114.7R705 A728 D734 F737R705-S732 VanDerWaalsContact CZ-C 3.42Å; R705-S732 VanDerWaalsContact CZ-O 3.26Å; R705-S732 PolarHBondContact NH1-O 3.26Å; A728-S732 PolarHBondContact O-N 3.22Å; S732-D734 PolarHBondContact OG-N 3.1Å; S732-D734 VanDerWaalsContact OG-N 3.15Å; S732-F737 WeakPolarHBondContact OG-CD1 3.26Å
733H83Confident85.4Confident143 Ų14353.6 Ų53.666%0.66225%0.245SC*.  trans-104.8-10.3169.757.239.9000113.4L708L708-H733 WeakPolarHBondContact CD2-O 3.45Å
734D87.5Confident85.4Confident66 Ų6650.6 Ų50.635%0.35323%0.234SC..  trans-84.4116.9-178.2170.87.7000110.2S732 E736 F737 I738S732-D734 PolarHBondContact OG-N 3.1Å; S732-D734 VanDerWaalsContact OG-N 3.15Å; D734-E736 VanDerWaalsContact C-N 3.31Å; D734-E736 PolarHBondContact O-N 3.1Å; D734-E736 PolarHBondContact OD1-N 3.37Å; D734-F737 HydrophobicContact CB-CB 3.7Å; D734-F737 VanDerWaalsContact CG-CB 3.5Å; D734-F737 WeakPolarHBondContact O-CB 3.28Å; D734-F737 PolarHBondContact O-N 3.31Å; D734-F737 PolarHBondContact OD1-N 2.79Å; D734-F737 VanDerWaalsContact OD2-CB 3.27Å; D734-F737 WeakPolarHBondContact OD2-CB 3.24Å; D734-F737 PolarHBondContact OD2-N 3.48Å; D734-I738 WeakPolarHBondContact O-CB 3.13Å; D734-I738 WeakPolarHBondContact O-CD1 3.37Å; D734-I738 VanDerWaalsContact O-CG1 3.25Å; D734-I738 WeakPolarHBondContact O-CG1 3.44Å; D734-I738 PolarHBondContact O-N 2.95Å
735R85.1Confident85.5Confident73 Ų7355.4 Ų55.428%0.27526%0.256SS..Hα-helixtrans-57.8-40.7179.1-168.4-170.8-16783.5-2.5112.6L708 S711 L712 E715 I738 R739L708-R735 HydrophobicContact CD1-CB 4.21Å; L708-R735 HydrophobicContact CD1-CG 4.28Å; S711-R735 PolarHBondContact O-NH2 2.97Å; S711-R735 PolarHBondContact OG-NH1 3.31Å; L712-R735 HydrophobicContact CD2-CG 3.96Å; E715-R735 VanDerWaalsContact CG-NH2 3.27Å; E715-R735 IonicContact OE1-CZ 3.75Å; E715-R735 VanDerWaalsContact OE1-CZ 3.28Å; E715-R735 IonicContact OE1-NE 2.69Å; E715-R735 PolarHBondContact OE1-NE 3.36Å; E715-R735 IonicContact OE1-NH2 3.65Å; E715-R735 PolarHBondContact OE1-NH2 3.37Å; R735-I738 PolarHBondContact O-N 3.14Å; R735-R739 WeakPolarHBondContact O-CG 3.45Å; R735-R739 PolarHBondContact O-N 3.38Å
736E85.1Confident85.7Confident99 Ų9955.4 Ų55.446%0.46326%0.256SS..Hα-helixtrans-81-30.6-173.9-154.662-99.600111.8D734 R739 R740D734-E736 VanDerWaalsContact C-N 3.31Å; D734-E736 PolarHBondContact O-N 3.1Å; D734-E736 PolarHBondContact OD1-N 3.37Å; E736-R739 IonicContact OE1-CZ 2.67Å; E736-R739 IonicContact OE1-NH1 3.29Å; E736-R739 PolarHBondContact OE1-NH1 3.31Å; E736-R739 IonicContact OE2-CZ 2.88Å; E736-R739 IonicContact OE2-NH1 2.66Å; E736-R739 PolarHBondContact OE2-NH1 3.06Å; E736-R740 WeakPolarHBondContact O-CG 3.24Å; E736-R740 PolarHBondContact O-N 3.45Å; E736-R740 PolarHBondContact O-NE 3.49Å
737F83Confident85.7Confident47 Ų4758.4 Ų58.421%0.20628%0.275CS..Hα-helixtrans-60.7-50162.5179.2-79.6000111I133 S732 D734 R739 R740 L741I133-F737 HydrophobicContact CB-CE2 4Å; I133-F737 HydrophobicContact CB-CZ 4.32Å; I133-F737 HydrophobicContact CD1-CD2 4.25Å; I133-F737 HydrophobicContact CD1-CE2 4.22Å; I133-F737 HydrophobicContact CG1-CD2 4.22Å; I133-F737 HydrophobicContact CG1-CE2 3.72Å; I133-F737 HydrophobicContact CG2-CD2 4.43Å; I133-F737 HydrophobicContact CG2-CE1 4.46Å; I133-F737 HydrophobicContact CG2-CE2 3.76Å; I133-F737 HydrophobicContact CG2-CZ 3.77Å; S732-F737 WeakPolarHBondContact OG-CD1 3.26Å; D734-F737 HydrophobicContact CB-CB 3.7Å; D734-F737 VanDerWaalsContact CG-CB 3.5Å; D734-F737 WeakPolarHBondContact O-CB 3.28Å; D734-F737 PolarHBondContact O-N 3.31Å; D734-F737 PolarHBondContact OD1-N 2.79Å; D734-F737 VanDerWaalsContact OD2-CB 3.27Å; D734-F737 WeakPolarHBondContact OD2-CB 3.24Å; D734-F737 PolarHBondContact OD2-N 3.48Å; F737-R739 PolarHBondContact O-N 3.48Å; F737-R740 PolarHBondContact O-N 2.8Å; F737-L741 HydrophobicContact CD1-CD1 3.34Å; F737-L741 HydrophobicContact CE1-CD1 3.19Å; F737-L741 HydrophobicContact CG-CD1 4.13Å; F737-L741 HydrophobicContact CZ-CD1 3.89Å; F737-L741 WeakPolarHBondContact O-CD1 3.31Å; F737-L741 PolarHBondContact O-N 2.77Å
738I87.3Confident85.9Confident0 Ų057.5 Ų57.50%028%0.275CS..Hα-helixtrans-61.7-44.6-179.2-71.9157.5000112L708 L712 A728 V729 D734 R735 R740 L741 L742L708-I738 HydrophobicContact CD2-CD1 3.69Å; L708-I738 HydrophobicContact CG-CD1 4.41Å; L712-I738 HydrophobicContact CD1-CB 4.38Å; L712-I738 HydrophobicContact CD1-CD1 4.44Å; L712-I738 HydrophobicContact CD1-CG2 3.56Å; A728-I738 HydrophobicContact CB-CG1 4.3Å; A728-I738 HydrophobicContact CB-CG2 3.84Å; V729-I738 HydrophobicContact CB-CD1 4.5Å; V729-I738 HydrophobicContact CG2-CD1 3.73Å; V729-I738 HydrophobicContact CG2-CG2 4.3Å; D734-I738 WeakPolarHBondContact O-CB 3.13Å; D734-I738 WeakPolarHBondContact O-CD1 3.37Å; D734-I738 VanDerWaalsContact O-CG1 3.25Å; D734-I738 WeakPolarHBondContact O-CG1 3.44Å; D734-I738 PolarHBondContact O-N 2.95Å; R735-I738 PolarHBondContact O-N 3.14Å; I738-R740 VanDerWaalsContact C-N 3.28Å; I738-R740 PolarHBondContact O-N 2.88Å; I738-L741 WeakPolarHBondContact O-CB 3.17Å; I738-L741 PolarHBondContact O-N 3.33Å; I738-L741 VanDerWaalsContact O-N 3.1Å; I738-L742 HydrophobicContact CG2-CD1 3.6Å; I738-L742 HydrophobicContact CG2-CG 4.15Å; I738-L742 WeakPolarHBondContact O-CG 3.17Å; I738-L742 PolarHBondContact O-N 3.17Å
739R84.6Confident86.3Confident58 Ų5859.4 Ų59.422%0.21929%0.288CS..Hα-helixtrans-58.4-39.6175.4-70.2-155-153.498.1-7112.7L712 E715 R735 E736 F737 L742 N743L712-R739 HydrophobicContact CD2-CG 4.21Å; E715-R739 IonicContact OE1-CZ 3.9Å; E715-R739 IonicContact OE1-NE 2.71Å; E715-R739 PolarHBondContact OE1-NE 2.82Å; E715-R739 VanDerWaalsContact OE1-NE 3.16Å; E715-R739 IonicContact OE1-NH2 2.66Å; E715-R739 PolarHBondContact OE1-NH2 3.07Å; E715-R739 WeakPolarHBondContact OE2-CD 3.39Å; E715-R739 IonicContact OE2-CZ 2.73Å; E715-R739 IonicContact OE2-NE 3.57Å; E715-R739 PolarHBondContact OE2-NE 3.4Å; E715-R739 IonicContact OE2-NH2 2.65Å; R735-R739 WeakPolarHBondContact O-CG 3.45Å; R735-R739 PolarHBondContact O-N 3.38Å; E736-R739 IonicContact OE1-CZ 2.67Å; E736-R739 IonicContact OE1-NH1 3.29Å; E736-R739 PolarHBondContact OE1-NH1 3.31Å; E736-R739 IonicContact OE2-CZ 2.88Å; E736-R739 IonicContact OE2-NH1 2.66Å; E736-R739 PolarHBondContact OE2-NH1 3.06Å; F737-R739 PolarHBondContact O-N 3.48Å; R739-L742 PolarHBondContact O-N 2.99Å; R739-N743 WeakPolarHBondContact O-CB 3.16Å; R739-N743 PolarHBondContact O-N 3.42Å
740R83.6Confident86.3Confident139 Ų13965.3 Ų65.353%0.52532%0.319SS..Hα-helixtrans-67.7-33.3176.3-71.8176.9-70.2158.3-2.3112.7E736 F737 I738 T744E736-R740 WeakPolarHBondContact O-CG 3.24Å; E736-R740 PolarHBondContact O-N 3.45Å; E736-R740 PolarHBondContact O-NE 3.49Å; F737-R740 PolarHBondContact O-N 2.8Å; I738-R740 VanDerWaalsContact C-N 3.28Å; I738-R740 PolarHBondContact O-N 2.88Å; R740-T744 PolarHBondContact O-OG1 3.35Å
741L83.6Confident86.4Confident15 Ų1564.6 Ų64.68%0.07932%0.323CS..Hα-helixtrans-68.3-35.5168.9-91.9106.4000112.9I133 F737 I738 R755I133-L741 HydrophobicContact CG2-CD1 3.86Å; F737-L741 HydrophobicContact CD1-CD1 3.34Å; F737-L741 HydrophobicContact CE1-CD1 3.19Å; F737-L741 HydrophobicContact CG-CD1 4.13Å; F737-L741 HydrophobicContact CZ-CD1 3.89Å; F737-L741 WeakPolarHBondContact O-CD1 3.31Å; F737-L741 PolarHBondContact O-N 2.77Å; I738-L741 WeakPolarHBondContact O-CB 3.17Å; I738-L741 PolarHBondContact O-N 3.33Å; I738-L741 VanDerWaalsContact O-N 3.1Å; L741-R755 HydrophobicContact CB-CB 4.44Å; L741-R755 HydrophobicContact CD2-CB 4.33Å; L741-R755 HydrophobicContact CG-CB 4.46Å; L741-R755 WeakPolarHBondContact O-CB 3.42Å; L741-R755 PolarHBondContact O-N 3.32Å
742L85.2Confident86.7Confident4 Ų464.2 Ų64.22%0.02132%0.323CS..Hα-helixtrans-82.7-23.9-177.8-62.9171000113Y720 D724 V725 A728 I738 R739 F753 P754Y720-L742 HydrophobicContact CD1-CB 3.62Å; Y720-L742 HydrophobicContact CD1-CD1 4Å; Y720-L742 HydrophobicContact CD1-CG 4.3Å; Y720-L742 HydrophobicContact CD2-CD1 3.9Å; Y720-L742 HydrophobicContact CE1-CB 3.23Å; Y720-L742 HydrophobicContact CE1-CD1 3.95Å; Y720-L742 HydrophobicContact CE1-CG 4.2Å; Y720-L742 HydrophobicContact CE2-CD1 3.85Å; Y720-L742 HydrophobicContact CG-CB 4.42Å; Y720-L742 HydrophobicContact CG-CD1 3.95Å; D724-L742 HydrophobicContact CB-CD2 3.82Å; V725-L742 HydrophobicContact CG2-CD1 3.89Å; A728-L742 HydrophobicContact CB-CD2 4.14Å; A728-L742 HydrophobicContact CB-CG 4.37Å; I738-L742 HydrophobicContact CG2-CD1 3.6Å; I738-L742 HydrophobicContact CG2-CG 4.15Å; I738-L742 WeakPolarHBondContact O-CG 3.17Å; I738-L742 PolarHBondContact O-N 3.17Å; R739-L742 PolarHBondContact O-N 2.99Å; L742-F753 CarbonylContact O-C 3.47Å; L742-P754 HydrophobicContact CD2-CB 4.19Å; L742-P754 HydrophobicContact CD2-CG 4.44Å; L742-P754 WeakPolarHBondContact O-CA 3.48Å
743N86.3Confident86.9Confident69 Ų6966.2 Ų66.237%0.36933%0.33SS..  trans-11274.2177.5-67-33.9000111.7Y720 R739 I752Y720-N743 WeakPolarHBondContact CE1-OD1 3.33Å; Y720-N743 PolarHBondContact OH-ND2 3.21Å; Y720-N743 VanDerWaalsContact OH-ND2 3.16Å; R739-N743 WeakPolarHBondContact O-CB 3.16Å; R739-N743 PolarHBondContact O-N 3.42Å; N743-I752 HydrophobicContact CB-CG2 3.95Å
744T85.4Confident87Confident34 Ų3460.3 Ų60.321%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-108.1126169.9-50.90000110.2R740 F753 M758R740-T744 PolarHBondContact O-OG1 3.35Å; T744-F753 PolarHBondContact N-O 3.31Å; T744-F753 PolarHBondContact O-N 3.46Å; T744-F753 VanDerWaalsContact O-O 3.04Å; T744-M758 VanDerWaalsContact CB-SD 3.52Å; T744-M758 HydrophobicContact CG2-CE 4.41Å; T744-M758 HydrophobicContact CG2-SD 3.34Å; T744-M758 WeakPolarHBondContact CG2-SD 3.36Å
745E89.7Confident86.7Confident114 Ų11459.6 Ų59.653%0.53330%0.297SS..EExtended strand (participates in β ladder)trans-82.3140.1-179-166.5-176148.900111.9
746C92.7Very high86.5Confident0 Ų059.1 Ų59.10%031%0.305CS..  trans-88.7119.9172.4179.40000111.8V748 C749 L750 S751 F753 M758 C769C746-V748 PolarHBondContact O-N 3.47Å; C746-C749 PolarHBondContact O-N 2.92Å; C746-C749 VanDerWaalsContact SG-SG 3.66Å; C746-L750 VanDerWaalsContact O-CA 3.3Å; C746-L750 WeakPolarHBondContact O-CA 3.4Å; C746-L750 PolarHBondContact O-N 3.16Å; C746-S751 PolarHBondContact N-O 3.13Å; C746-F753 HydrophobicContact CB-CD2 3.99Å; C746-F753 HydrophobicContact CB-CE2 3.97Å; C746-M758 HydrophobicContact CB-CE 3.96Å; C746-C769 HydrophobicContact CB-CB 4.12Å; C746-C769 PolarHBondContact SG-N 2.86Å
747P90.1Very high86.5Confident69 Ų6958.5 Ų58.545%0.44830%0.301SS..THydrogen-bonded Turntrans-70.40.2-176.130.4-37.3000115S767 V768 A793P747-S767 WeakPolarHBondContact CD-O 3.43Å; P747-S767 WeakPolarHBondContact CG-O 3.43Å; P747-V768 HydrophobicContact CG-CG1 3.92Å; P747-A793 HydrophobicContact CB-CB 4.45Å; P747-A793 HydrophobicContact CG-CB 3.88Å
748V90.6Very high86.7Confident66 Ų6656.6 Ų56.640%0.429%0.292SS..THydrogen-bonded Turntrans-103.7-36.3179.2176.70000112.1C746 V768 C772 P792C746-V748 PolarHBondContact O-N 3.47Å; V748-V768 HydrophobicContact CG2-CG1 3.64Å; V748-C772 HydrophobicContact CB-CB 4.1Å; V748-C772 HydrophobicContact CG1-CB 4.01Å; V748-P792 HydrophobicContact CG2-CB 4.02Å; V748-P792 HydrophobicContact CG2-CG 4.33Å
749C93.1Very high86.7Confident48 Ų4858 Ų5832%0.32430%0.299SS..THydrogen-bonded Turntrans-121.25-178.460.90000114.2C746 S751C746-C749 PolarHBondContact O-N 2.92Å; C746-C749 VanDerWaalsContact SG-SG 3.66Å; C749-S751 PolarHBondContact O-N 3.42Å; C749-S751 PolarHBondContact O-OG 3.12Å
750L90.3Very high86.8Confident124 Ų12455.4 Ų55.465%0.64929%0.29SS*.  trans50.923.4177.3-49-178000114.3C746C746-L750 VanDerWaalsContact O-CA 3.3Å; C746-L750 WeakPolarHBondContact O-CA 3.4Å; C746-L750 PolarHBondContact O-N 3.16Å
751S87.9Confident86.7Confident56 Ų5648.8 Ų48.839%0.39227%0.265SS..  trans-102.3144.1-178.1-62.40000109.8C746 C749 F753C746-S751 PolarHBondContact N-O 3.13Å; C749-S751 PolarHBondContact O-N 3.42Å; C749-S751 PolarHBondContact O-OG 3.12Å; S751-F753 WeakPolarHBondContact O-CD2 3.46Å; S751-F753 WeakPolarHBondContact O-CE2 3.41Å
752I85.8Confident86.4Confident109 Ų10949.3 Ų49.356%0.55927%0.269SS*.EExtended strand (participates in β ladder)trans-85.7129.5-177-56.7177.1000109.5N743N743-I752 HydrophobicContact CB-CG2 3.95Å
753F85Confident86Confident57 Ų5751.4 Ų51.425%0.2528%0.284CS..EExtended strand (participates in β ladder)trans-131.1147.1176.7-63.6-86.7000111.4L742 T744 C746 S751 M758 C769L742-F753 CarbonylContact O-C 3.47Å; T744-F753 PolarHBondContact N-O 3.31Å; T744-F753 PolarHBondContact O-N 3.46Å; T744-F753 VanDerWaalsContact O-O 3.04Å; C746-F753 HydrophobicContact CB-CD2 3.99Å; C746-F753 HydrophobicContact CB-CE2 3.97Å; S751-F753 WeakPolarHBondContact O-CD2 3.46Å; S751-F753 WeakPolarHBondContact O-CE2 3.41Å; F753-M758 HydrophobicContact CB-CG 4.03Å; F753-M758 HydrophobicContact CB-SD 4.46Å; F753-C769 HydrophobicContact CD1-CB 4.2Å; F753-C769 HydrophobicContact CD2-CB 3.47Å; F753-C769 VanDerWaalsContact CD2-CB 3.47Å; F753-C769 HydrophobicContact CE1-CB 4.18Å; F753-C769 HydrophobicContact CE2-CB 3.42Å; F753-C769 VanDerWaalsContact CE2-CB 3.42Å; F753-C769 HydrophobicContact CG-CB 3.87Å; F753-C769 HydrophobicContact CZ-CB 3.81Å
754P84.6Confident85.6Confident19 Ų1948.7 Ų48.712%0.12327%0.27CS..  trans-57.3140.1159.1-28.338.7000111.3D724 L742 S756 K757D724-P754 HydrophobicContact CB-CB 3.88Å; D724-P754 HydrophobicContact CB-CG 3.9Å; L742-P754 HydrophobicContact CD2-CB 4.19Å; L742-P754 HydrophobicContact CD2-CG 4.44Å; L742-P754 WeakPolarHBondContact O-CA 3.48Å; P754-S756 WeakPolarHBondContact CB-OG 3.42Å; P754-S756 PolarHBondContact O-N 3.45Å; P754-S756 VanDerWaalsContact O-N 3.14Å; P754-K757 WeakPolarHBondContact O-CA 3.46Å; P754-K757 WeakPolarHBondContact O-CB 3.16Å; P754-K757 PolarHBondContact O-N 3.1Å
755R80.8Confident85.4Confident51 Ų5148.9 Ų48.919%0.19227%0.269CS..G310 helixtrans-61-24.1-176.6-170.9172.1-167.9-65.6-21.6114N105 D134 L741 K757 M758N105-R755 PolarHBondContact ND2-NH2 3.01Å; D134-R755 VanDerWaalsContact CB-NH1 3.33Å; D134-R755 VanDerWaalsContact CB-NH2 3.25Å; D134-R755 IonicContact OD1-CZ 3.84Å; D134-R755 IonicContact OD1-NH1 3.8Å; D134-R755 PolarHBondContact OD1-NH1 3.39Å; D134-R755 IonicContact OD1-NH2 3.03Å; D134-R755 PolarHBondContact OD1-NH2 2.9Å; D134-R755 IonicContact OD2-CZ 3.47Å; D134-R755 IonicContact OD2-NH1 3.9Å; D134-R755 PolarHBondContact OD2-NH1 3.02Å; D134-R755 IonicContact OD2-NH2 3.34Å; L741-R755 HydrophobicContact CB-CB 4.44Å; L741-R755 HydrophobicContact CD2-CB 4.33Å; L741-R755 HydrophobicContact CG-CB 4.46Å; L741-R755 WeakPolarHBondContact O-CB 3.42Å; L741-R755 PolarHBondContact O-N 3.32Å; R755-K757 PolarHBondContact O-N 3.21Å; R755-M758 PolarHBondContact O-N 2.88Å
756S81Confident85.1Confident64 Ų6445.2 Ų45.245%0.44826%0.255SS..G310 helixtrans-56.9-22.9167.548.10000114.2D724 P754D724-S756 PolarHBondContact OD1-OG 2.74Å; P754-S756 WeakPolarHBondContact CB-OG 3.42Å; P754-S756 PolarHBondContact O-N 3.45Å; P754-S756 VanDerWaalsContact O-N 3.14Å
757K85.9Confident84.9Confident86 Ų8646.5 Ų46.537%0.37426%0.264SS..G310 helixtrans-111.917.1-176.5-64.7166.4177.7168.90112.2D724 P754 R755 C769 H770D724-K757 WeakPolarHBondContact OD1-CE 3.42Å; D724-K757 IonicContact OD1-NZ 3.03Å; D724-K757 PolarHBondContact OD1-NZ 3.42Å; D724-K757 IonicContact OD2-NZ 2.76Å; D724-K757 PolarHBondContact OD2-NZ 3.19Å; P754-K757 WeakPolarHBondContact O-CA 3.46Å; P754-K757 WeakPolarHBondContact O-CB 3.16Å; P754-K757 PolarHBondContact O-N 3.1Å; R755-K757 PolarHBondContact O-N 3.21Å; K757-C769 WeakPolarHBondContact O-CA 3.37Å; K757-H770 VanDerWaalsContact C-NE2 3.34Å; K757-H770 PolarHBondContact O-CD2 3.36Å; K757-H770 PolarHBondContact O-N 2.89Å
758M88Confident85.1Confident6 Ų643.2 Ų43.23%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-120.3130.4178.2-64.1-157.177.100113T744 C746 F753 R755 S767 V768 H770T744-M758 VanDerWaalsContact CB-SD 3.52Å; T744-M758 HydrophobicContact CG2-CE 4.41Å; T744-M758 HydrophobicContact CG2-SD 3.34Å; T744-M758 WeakPolarHBondContact CG2-SD 3.36Å; C746-M758 HydrophobicContact CB-CE 3.96Å; F753-M758 HydrophobicContact CB-CG 4.03Å; F753-M758 HydrophobicContact CB-SD 4.46Å; R755-M758 PolarHBondContact O-N 2.88Å; M758-S767 WeakPolarHBondContact CB-OG 3.48Å; M758-S767 WeakPolarHBondContact CE-O 3.43Å; M758-V768 CarbonylContact C-O 3.59Å; M758-V768 WeakPolarHBondContact CA-O 3.28Å; M758-H770 PolarHBondContact N-NE2 3.35Å
759Q86.4Confident85.2Confident29 Ų2940.2 Ų40.214%0.13623%0.225CC..EExtended strand (participates in β ladder)trans-102.5115.8-179.8-173.653.882.400110.1P107 V768 F773P107-Q759 VanDerWaalsContact CG-CD 3.48Å; P107-Q759 VanDerWaalsContact CG-OE1 3.29Å; Q759-V768 PolarHBondContact N-O 3.45Å; Q759-V768 WeakPolarHBondContact O-CG2 3.15Å; Q759-V768 PolarHBondContact O-N 3.19Å; Q759-F773 HydrophobicContact CB-CB 4.3Å; Q759-F773 HydrophobicContact CB-CD2 3.96Å; Q759-F773 HydrophobicContact CB-CE2 4.47Å; Q759-F773 HydrophobicContact CB-CG 4.07Å; Q759-F773 HydrophobicContact CG-CD1 4.12Å; Q759-F773 HydrophobicContact CG-CD2 3.52Å; Q759-F773 HydrophobicContact CG-CE1 4.14Å; Q759-F773 HydrophobicContact CG-CE2 3.54Å; Q759-F773 HydrophobicContact CG-CG 3.82Å; Q759-F773 HydrophobicContact CG-CZ 3.89Å
760S87.2Confident85.1Confident4 Ų441.6 Ų41.63%0.02823%0.226CC..EExtended strand (participates in β ladder)trans-82.7140165-780000111.2N105 Q765 C766 Q815N105-S760 VanDerWaalsContact ND2-CB 3.34Å; N105-S760 WeakPolarHBondContact ND2-CB 3.34Å; N105-S760 PolarHBondContact ND2-OG 2.94Å; N105-S760 WeakPolarHBondContact OD1-CB 3.46Å; N105-S760 PolarHBondContact OD1-OG 3.37Å; S760-Q765 PolarHBondContact OG-O 2.77Å; S760-Q765 VanDerWaalsContact OG-O 3.12Å; S760-C766 VanDerWaalsContact CA-O 3.28Å; S760-C766 WeakPolarHBondContact CA-O 3.23Å; S760-Q815 PolarHBondContact O-NE2 3.12Å
761L82.2Confident85.1Confident1 Ų140.6 Ų40.61%0.00522%0.218CC..  trans-75.2140168.8-84.681.1000111.2S763 Q765 C766 V768 F773 F777 C791L761-S763 VanDerWaalsContact C-N 3.31Å; L761-S763 PolarHBondContact O-N 3.18Å; L761-Q765 WeakPolarHBondContact O-CA 3.38Å; L761-Q765 PolarHBondContact O-N 2.74Å; L761-C766 PolarHBondContact N-O 2.64Å; L761-C766 VanDerWaalsContact N-O 3.13Å; L761-V768 HydrophobicContact CD1-CG2 4.18Å; L761-F773 HydrophobicContact CD1-CD2 3.8Å; L761-F773 HydrophobicContact CD1-CE2 3.63Å; L761-F773 HydrophobicContact CG-CE2 3.92Å; L761-F777 HydrophobicContact CD2-CE2 4.41Å; L761-F777 HydrophobicContact CD2-CZ 4.07Å; L761-C791 HydrophobicContact CD2-CB 3.7Å
762T77.1Confident85.4Confident26 Ų2638.6 Ų38.616%0.1620%0.204CC..THydrogen-bonded Turntrans-60.7-35.8-179.4-56.60000113.6N106 V108 T811 Q815N106-T762 WeakPolarHBondContact OD1-CB 3.36Å; N106-T762 PolarHBondContact OD1-OG1 3.27Å; V108-T762 HydrophobicContact CB-CG2 4.37Å; V108-T762 HydrophobicContact CG2-CG2 4.12Å; V108-T762 WeakPolarHBondContact CG2-OG1 3.21Å; T762-T811 HydrophobicContact CG2-CG2 3.79Å; T762-Q815 PolarHBondContact OG1-OE1 3.41Å
763S75.4Confident85.7Confident48 Ų4833.4 Ų33.434%0.33618%0.177SC..THydrogen-bonded Turntrans-76-57-175.6169.20000113.6L761L761-S763 VanDerWaalsContact C-N 3.31Å; L761-S763 PolarHBondContact O-N 3.18Å
764C77.8Confident86.1Confident12 Ų1235.1 Ų35.18%0.08118%0.182CC..THydrogen-bonded Turntrans-101.7-5.8-172.761.60000114.5C766 C791 E796C764-C766 PolarHBondContact O-N 2.92Å; C764-C791 VanDerWaalsContact SG-CB 3.6Å; C764-C791 PolarHBondContact SG-SG 2.69Å; C764-E796 HydrophobicContact CB-CB 4.06Å
765Q81.3Confident86.5Confident38 Ų3839.6 Ų39.618%0.17820%0.202CC..  trans60.50.8-177-47.9-170.42.600116.7S101 K103 S760 L761 S767S101-Q765 PolarHBondContact O-NE2 2.68Å; K103-Q765 HydrophobicContact CD-CB 4.21Å; S760-Q765 PolarHBondContact OG-O 2.77Å; S760-Q765 VanDerWaalsContact OG-O 3.12Å; L761-Q765 WeakPolarHBondContact O-CA 3.38Å; L761-Q765 PolarHBondContact O-N 2.74Å; Q765-S767 PolarHBondContact O-N 3.09Å
766C83.5Confident87.1Confident36 Ų3638.9 Ų38.924%0.24320%0.2CC..  trans-56.3130.1173.2-630000110.6S760 L761 C764 A793 C794S760-C766 VanDerWaalsContact CA-O 3.28Å; S760-C766 WeakPolarHBondContact CA-O 3.23Å; L761-C766 PolarHBondContact N-O 2.64Å; L761-C766 VanDerWaalsContact N-O 3.13Å; C764-C766 PolarHBondContact O-N 2.92Å; C766-A793 HydrophobicContact CB-CB 4.05Å; C766-C794 VanDerWaalsContact SG-SG 3.63Å
767S89.9Confident87.7Confident27 Ų2735.8 Ų35.819%0.18918%0.179CC..EExtended strand (participates in β ladder)trans-96.6126.4-178.1-168.70000110.3P747 M758 Q765P747-S767 WeakPolarHBondContact CD-O 3.43Å; P747-S767 WeakPolarHBondContact CG-O 3.43Å; M758-S767 WeakPolarHBondContact CB-OG 3.48Å; M758-S767 WeakPolarHBondContact CE-O 3.43Å; Q765-S767 PolarHBondContact O-N 3.09Å
768V92.6Very high87.9Confident0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-132151.7176.1-77.60000110.1P747 V748 M758 Q759 L761 F773 P792 A793P747-V768 HydrophobicContact CG-CG1 3.92Å; V748-V768 HydrophobicContact CG2-CG1 3.64Å; M758-V768 CarbonylContact C-O 3.59Å; M758-V768 WeakPolarHBondContact CA-O 3.28Å; Q759-V768 PolarHBondContact N-O 3.45Å; Q759-V768 WeakPolarHBondContact O-CG2 3.15Å; Q759-V768 PolarHBondContact O-N 3.19Å; L761-V768 HydrophobicContact CD1-CG2 4.18Å; V768-F773 HydrophobicContact CG2-CB 3.97Å; V768-F773 HydrophobicContact CG2-CD2 3.88Å; V768-F773 HydrophobicContact CG2-CG 4.43Å; V768-P792 HydrophobicContact CG1-CG 4.37Å; V768-P792 HydrophobicContact CG2-CG 4.45Å; V768-A793 HydrophobicContact CG1-CB 4.32Å
769C92.6Very high88Confident4 Ų435.3 Ų35.33%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-66.1153.2178.871.60000110.9C746 F753 K757 E771 C772 F773C746-C769 HydrophobicContact CB-CB 4.12Å; C746-C769 PolarHBondContact SG-N 2.86Å; F753-C769 HydrophobicContact CD1-CB 4.2Å; F753-C769 HydrophobicContact CD2-CB 3.47Å; F753-C769 VanDerWaalsContact CD2-CB 3.47Å; F753-C769 HydrophobicContact CE1-CB 4.18Å; F753-C769 HydrophobicContact CE2-CB 3.42Å; F753-C769 VanDerWaalsContact CE2-CB 3.42Å; F753-C769 HydrophobicContact CG-CB 3.87Å; F753-C769 HydrophobicContact CZ-CB 3.81Å; K757-C769 WeakPolarHBondContact O-CA 3.37Å; C769-E771 PolarHBondContact O-N 3.24Å; C769-E771 VanDerWaalsContact O-N 3.11Å; C769-C772 PolarHBondContact O-N 3.29Å; C769-F773 PolarHBondContact O-N 2.89Å
770H90.9Very high88.1Confident77 Ų7734 Ų3436%0.35617%0.174SC..Hα-helixtrans-54.9-34.7-175-69.5-173.3000112.9K757 M758 R774K757-H770 VanDerWaalsContact C-NE2 3.34Å; K757-H770 PolarHBondContact O-CD2 3.36Å; K757-H770 PolarHBondContact O-N 2.89Å; M758-H770 PolarHBondContact N-NE2 3.35Å; H770-R774 WeakPolarHBondContact O-CB 3.22Å; H770-R774 PolarHBondContact O-N 2.97Å
771E91.4Very high88.1Confident102 Ų10233.8 Ų33.848%0.47717%0.173SC..Hα-helixtrans-74-44.1-178.8-160.255.1-136.400112.5C769 F773 R774 Q775C769-E771 PolarHBondContact O-N 3.24Å; C769-E771 VanDerWaalsContact O-N 3.11Å; E771-F773 VanDerWaalsContact C-N 3.28Å; E771-F773 PolarHBondContact O-N 3.02Å; E771-R774 PolarHBondContact O-N 3.39Å; E771-R774 IonicContact OE1-NH1 2.6Å; E771-R774 IonicContact OE2-CZ 3.58Å; E771-R774 IonicContact OE2-NH1 2.8Å; E771-R774 PolarHBondContact OE2-NH1 3.07Å; E771-Q775 WeakPolarHBondContact O-CB 3.35Å; E771-Q775 PolarHBondContact O-N 3.16Å
772C93.7Very high88.1Confident14 Ų1438.8 Ų38.810%0.09519%0.192CC..Hα-helixtrans-63.8-35.4173.6-73.70000112.1V748 C769 H776V748-C772 HydrophobicContact CB-CB 4.1Å; V748-C772 HydrophobicContact CG1-CB 4.01Å; C769-C772 PolarHBondContact O-N 3.29Å; C772-H776 VanDerWaalsContact O-CB 3.22Å; C772-H776 WeakPolarHBondContact O-CB 3.4Å; C772-H776 PolarHBondContact O-N 3.25Å; C772-H776 VanDerWaalsContact O-N 3.09Å
773F93.1Very high88.2Confident0 Ų043.3 Ų43.30%022%0.215CC..Hα-helixtrans-63.6-54.2173.9-174.9-83.3000110.9Q759 L761 V768 C769 E771 F777 Q815 L816 C819Q759-F773 HydrophobicContact CB-CB 4.3Å; Q759-F773 HydrophobicContact CB-CD2 3.96Å; Q759-F773 HydrophobicContact CB-CE2 4.47Å; Q759-F773 HydrophobicContact CB-CG 4.07Å; Q759-F773 HydrophobicContact CG-CD1 4.12Å; Q759-F773 HydrophobicContact CG-CD2 3.52Å; Q759-F773 HydrophobicContact CG-CE1 4.14Å; Q759-F773 HydrophobicContact CG-CE2 3.54Å; Q759-F773 HydrophobicContact CG-CG 3.82Å; Q759-F773 HydrophobicContact CG-CZ 3.89Å; L761-F773 HydrophobicContact CD1-CD2 3.8Å; L761-F773 HydrophobicContact CD1-CE2 3.63Å; L761-F773 HydrophobicContact CG-CE2 3.92Å; V768-F773 HydrophobicContact CG2-CB 3.97Å; V768-F773 HydrophobicContact CG2-CD2 3.88Å; V768-F773 HydrophobicContact CG2-CG 4.43Å; C769-F773 PolarHBondContact O-N 2.89Å; E771-F773 VanDerWaalsContact C-N 3.28Å; E771-F773 PolarHBondContact O-N 3.02Å; F773-F777 HydrophobicContact CD1-CD2 4.05Å; F773-F777 HydrophobicContact CD2-CD2 4.24Å; F773-F777 AromaticContact CD2-CE2 3.96Å; F773-F777 HydrophobicContact CD2-CE2 3.96Å; F773-F777 AromaticContact CE1-CD2 3.89Å; F773-F777 HydrophobicContact CE1-CD2 3.89Å; F773-F777 HydrophobicContact CE1-CE2 4.23Å; F773-F777 HydrophobicContact CE2-CD2 4.08Å; F773-F777 AromaticContact CE2-CE2 3.61Å; F773-F777 HydrophobicContact CE2-CE2 3.61Å; F773-F777 HydrophobicContact CG-CD2 4.22Å; F773-F777 HydrophobicContact CG-CE2 4.41Å; F773-F777 AromaticContact CZ-CD2 3.88Å; F773-F777 HydrophobicContact CZ-CD2 3.88Å; F773-F777 AromaticContact CZ-CE2 3.74Å; F773-F777 HydrophobicContact CZ-CE2 3.74Å; F773-F777 VanDerWaalsContact O-CD2 3.32Å; F773-F777 WeakPolarHBondContact O-CD2 3.43Å; F773-F777 PolarHBondContact O-N 3.13Å; F773-F777 VanDerWaalsContact O-N 3.14Å; F773-Q815 HydrophobicContact CE1-CB 4.35Å; F773-Q815 HydrophobicContact CZ-CB 3.76Å; F773-L816 HydrophobicContact CE1-CD2 3.95Å; F773-L816 HydrophobicContact CZ-CD2 4.33Å; F773-C819 VanDerWaalsContact CD1-SG 3.59Å; F773-C819 HydrophobicContact CE1-CB 4.39Å
774R93.1Very high88.3Confident93 Ų9344.8 Ų44.835%0.35122%0.216SC..Hα-helixtrans-55.2-54.9176.5176.7-173.6-70.8140.3-7.7111.2H770 E771 H776 F777 T778 C819H770-R774 WeakPolarHBondContact O-CB 3.22Å; H770-R774 PolarHBondContact O-N 2.97Å; E771-R774 PolarHBondContact O-N 3.39Å; E771-R774 IonicContact OE1-NH1 2.6Å; E771-R774 IonicContact OE2-CZ 3.58Å; E771-R774 IonicContact OE2-NH1 2.8Å; E771-R774 PolarHBondContact OE2-NH1 3.07Å; R774-H776 PolarHBondContact O-N 3.29Å; R774-F777 PolarHBondContact O-N 2.97Å; R774-T778 WeakPolarHBondContact O-CB 3.5Å; R774-T778 PolarHBondContact O-N 3.47Å; R774-T778 PolarHBondContact O-OG1 3.37Å; R774-T778 VanDerWaalsContact O-OG1 3.08Å; R774-C819 PolarHBondContact NE-O 2.81Å
775Q93.4Very high88.2Confident113 Ų11345.3 Ų45.353%0.52822%0.217SC..Hα-helixtrans-61.5-44.5-173.5-170.3-178.620.400111.8E771 T778 I779E771-Q775 WeakPolarHBondContact O-CB 3.35Å; E771-Q775 PolarHBondContact O-N 3.16Å; Q775-T778 PolarHBondContact O-N 3.11Å; Q775-I779 HydrophobicContact CG-CD1 3.95Å; Q775-I779 WeakPolarHBondContact O-CB 3.28Å; Q775-I779 WeakPolarHBondContact O-CD1 3.44Å; Q775-I779 VanDerWaalsContact O-CG1 3.3Å; Q775-I779 WeakPolarHBondContact O-CG1 3.29Å; Q775-I779 PolarHBondContact O-N 2.77Å
776H93.5Very high88Confident36 Ų3643.8 Ų43.817%0.16721%0.209CC..Hα-helixtrans-59.7-49.2176.2171.376.8000112C772 R774 I779 A780 V790 P792C772-H776 VanDerWaalsContact O-CB 3.22Å; C772-H776 WeakPolarHBondContact O-CB 3.4Å; C772-H776 PolarHBondContact O-N 3.25Å; C772-H776 VanDerWaalsContact O-N 3.09Å; R774-H776 PolarHBondContact O-N 3.29Å; H776-I779 PolarHBondContact O-N 3.43Å; H776-A780 WeakPolarHBondContact O-CB 3.42Å; H776-A780 PolarHBondContact O-N 3.25Å; H776-V790 PolarHBondContact NE2-O 2.88Å; H776-P792 HydrophobicContact CB-CB 4.13Å; H776-P792 HydrophobicContact CB-CG 4.31Å
777F92.7Very high87.6Confident0 Ų044.3 Ų44.30%021%0.206CC..Hα-helixtrans-72.5-34.2-178.9-76.5-67.7000113L761 F773 R774 I779 A780 V781 M789 L812 L816 L820L761-F777 HydrophobicContact CD2-CE2 4.41Å; L761-F777 HydrophobicContact CD2-CZ 4.07Å; F773-F777 HydrophobicContact CD1-CD2 4.05Å; F773-F777 HydrophobicContact CD2-CD2 4.24Å; F773-F777 AromaticContact CD2-CE2 3.96Å; F773-F777 HydrophobicContact CD2-CE2 3.96Å; F773-F777 AromaticContact CE1-CD2 3.89Å; F773-F777 HydrophobicContact CE1-CD2 3.89Å; F773-F777 HydrophobicContact CE1-CE2 4.23Å; F773-F777 HydrophobicContact CE2-CD2 4.08Å; F773-F777 AromaticContact CE2-CE2 3.61Å; F773-F777 HydrophobicContact CE2-CE2 3.61Å; F773-F777 HydrophobicContact CG-CD2 4.22Å; F773-F777 HydrophobicContact CG-CE2 4.41Å; F773-F777 AromaticContact CZ-CD2 3.88Å; F773-F777 HydrophobicContact CZ-CD2 3.88Å; F773-F777 AromaticContact CZ-CE2 3.74Å; F773-F777 HydrophobicContact CZ-CE2 3.74Å; F773-F777 VanDerWaalsContact O-CD2 3.32Å; F773-F777 WeakPolarHBondContact O-CD2 3.43Å; F773-F777 PolarHBondContact O-N 3.13Å; F773-F777 VanDerWaalsContact O-N 3.14Å; R774-F777 PolarHBondContact O-N 2.97Å; F777-I779 PolarHBondContact O-N 3.09Å; F777-A780 PolarHBondContact O-N 3.49Å; F777-V781 WeakPolarHBondContact O-CB 3.35Å; F777-V781 WeakPolarHBondContact O-CG2 3.49Å; F777-V781 PolarHBondContact O-N 3.35Å; F777-M789 HydrophobicContact CD1-CB 4.39Å; F777-M789 HydrophobicContact CE1-CB 4.13Å; F777-L812 HydrophobicContact CD1-CD2 4.4Å; F777-L812 HydrophobicContact CE1-CD1 3.93Å; F777-L812 HydrophobicContact CE1-CD2 3.82Å; F777-L812 HydrophobicContact CE1-CG 4.49Å; F777-L812 HydrophobicContact CE2-CD1 4.18Å; F777-L812 HydrophobicContact CZ-CD1 3.73Å; F777-L812 HydrophobicContact CZ-CD2 4.39Å; F777-L816 HydrophobicContact CB-CD2 3.57Å; F777-L816 HydrophobicContact CD1-CD2 4.11Å; F777-L816 HydrophobicContact CD2-CD2 3.83Å; F777-L816 HydrophobicContact CG-CD2 3.57Å; F777-L820 HydrophobicContact CB-CD2 4.11Å
778T91.1Very high87.2Confident19 Ų1944.9 Ų44.912%0.11721%0.207CC..Hα-helixtrans-58.5-46.3170.6-68.20000111.5R774 Q775 V781 R782 L820 V824R774-T778 WeakPolarHBondContact O-CB 3.5Å; R774-T778 PolarHBondContact O-N 3.47Å; R774-T778 PolarHBondContact O-OG1 3.37Å; R774-T778 VanDerWaalsContact O-OG1 3.08Å; Q775-T778 PolarHBondContact O-N 3.11Å; T778-V781 PolarHBondContact O-N 2.93Å; T778-R782 VanDerWaalsContact CG2-NH1 3.32Å; T778-R782 WeakPolarHBondContact O-CB 3.42Å; T778-R782 PolarHBondContact O-N 3.16Å; T778-L820 WeakPolarHBondContact OG1-CD2 3.5Å; T778-V824 HydrophobicContact CG2-CG1 4.36Å; T778-V824 HydrophobicContact CG2-CG2 4.33Å
779I88.8Confident86.9Confident63 Ų6344.9 Ų44.932%0.32321%0.207SC..Hα-helixtrans-67.2-39.8175.7-68.4165.8000110.7Q775 H776 F777 V781 D783Q775-I779 HydrophobicContact CG-CD1 3.95Å; Q775-I779 WeakPolarHBondContact O-CB 3.28Å; Q775-I779 WeakPolarHBondContact O-CD1 3.44Å; Q775-I779 VanDerWaalsContact O-CG1 3.3Å; Q775-I779 WeakPolarHBondContact O-CG1 3.29Å; Q775-I779 PolarHBondContact O-N 2.77Å; H776-I779 PolarHBondContact O-N 3.43Å; F777-I779 PolarHBondContact O-N 3.09Å; I779-V781 VanDerWaalsContact C-N 3.26Å; I779-V781 PolarHBondContact O-N 2.91Å; I779-D783 HydrophobicContact CG2-CB 4.47Å; I779-D783 WeakPolarHBondContact O-CB 3.43Å; I779-D783 PolarHBondContact O-N 3.21Å
780A88Confident86.7Confident0 Ų045.9 Ų45.90%021%0.213CC..Hα-helixtrans-65.6-30177.900000113H776 F777 K784 M789H776-A780 WeakPolarHBondContact O-CB 3.42Å; H776-A780 PolarHBondContact O-N 3.25Å; F777-A780 PolarHBondContact O-N 3.49Å; A780-K784 HydrophobicContact CB-CD 4.48Å; A780-K784 CarbonylContact O-C 3.57Å; A780-K784 WeakPolarHBondContact O-CB 3.38Å; A780-M789 HydrophobicContact CB-CG 3.95Å
781V87.8Confident86.6Confident0 Ų042.2 Ų42.20%020%0.197CC..Hα-helixtrans-85.3-43.3177.21760000112.3F777 T778 I779 M789 L820 V824 L827 F828 K831F777-V781 WeakPolarHBondContact O-CB 3.35Å; F777-V781 WeakPolarHBondContact O-CG2 3.49Å; F777-V781 PolarHBondContact O-N 3.35Å; T778-V781 PolarHBondContact O-N 2.93Å; I779-V781 VanDerWaalsContact C-N 3.26Å; I779-V781 PolarHBondContact O-N 2.91Å; V781-M789 HydrophobicContact CB-CE 4.13Å; V781-M789 HydrophobicContact CG2-CE 3.49Å; V781-M789 VanDerWaalsContact CG2-CE 3.49Å; V781-M789 HydrophobicContact CG2-SD 4.23Å; V781-L820 HydrophobicContact CG2-CD1 4.4Å; V781-V824 HydrophobicContact CB-CG1 3.81Å; V781-V824 HydrophobicContact CG1-CG1 3.71Å; V781-V824 VanDerWaalsContact CG1-O 3.32Å; V781-V824 WeakPolarHBondContact CG1-O 3.35Å; V781-V824 HydrophobicContact CG2-CG1 4.49Å; V781-L827 HydrophobicContact CG1-CB 3.91Å; V781-L827 HydrophobicContact CG1-CD2 4.1Å; V781-L827 HydrophobicContact CG1-CG 3.85Å; V781-L827 WeakPolarHBondContact O-CD2 3.36Å; V781-F828 HydrophobicContact CG1-CB 3.92Å; V781-F828 HydrophobicContact CG2-CB 3.87Å; V781-F828 HydrophobicContact CG2-CD2 4.27Å; V781-F828 HydrophobicContact CG2-CG 4.48Å; V781-K831 WeakPolarHBondContact O-CE 3.46Å; V781-K831 PolarHBondContact O-NZ 3.03Å
782R82.3Confident86.6Confident106 Ų10639.1 Ų39.140%0.419%0.185SC..Hα-helixtrans-69.8-53.2176.9-73.3-178.6166135.31.7111.1T778 E821 L827T778-R782 VanDerWaalsContact CG2-NH1 3.32Å; T778-R782 WeakPolarHBondContact O-CB 3.42Å; T778-R782 PolarHBondContact O-N 3.16Å; R782-E821 IonicContact CZ-OE2 2.74Å; R782-E821 IonicContact NH1-OE2 2.82Å; R782-E821 PolarHBondContact NH1-OE2 3.34Å; R782-E821 IonicContact NH2-OE2 3.21Å; R782-E821 PolarHBondContact NH2-OE2 2.9Å; R782-L827 HydrophobicContact CG-CD2 4.47Å
783D79.9Confident86.2Confident121 Ų12140.4 Ų40.465%0.64720%0.197SC*.THydrogen-bonded Turntrans-110.2-6.9-159.2-45.2-48.9000114.5I779I779-D783 HydrophobicContact CG2-CB 4.47Å; I779-D783 WeakPolarHBondContact O-CB 3.43Å; I779-D783 PolarHBondContact O-N 3.21Å
784K77Confident85.8Confident80 Ų8042.9 Ų42.935%0.34821%0.213SC..SBendtrans-126.2176-173.4-52.2-173.9-178.71650113.9A780 D788 K831A780-K784 HydrophobicContact CB-CD 4.48Å; A780-K784 CarbonylContact O-C 3.57Å; A780-K784 WeakPolarHBondContact O-CB 3.38Å; K784-D788 HydrophobicContact CB-CB 3.77Å; K784-D788 WeakPolarHBondContact CB-OD2 3.45Å; K784-D788 HydrophobicContact CD-CB 3.97Å; K784-D788 HydrophobicContact CG-CB 4.49Å; K784-K831 PolarHBondContact O-NZ 3.34Å
785H75.2Confident85.2Confident23 Ų2342.6 Ų42.611%0.10623%0.226CC..  trans-85.6157.8177.5-179.7-111.9000110.7R787 D788 Q939 R941H785-R787 PolarHBondContact ND1-N 3.11Å; H785-R787 PolarHBondContact O-N 3.24Å; H785-D788 WeakPolarHBondContact CB-OD2 3.37Å; H785-D788 PolarHBondContact N-OD2 2.88Å; H785-D788 WeakPolarHBondContact O-CB 3.36Å; H785-D788 PolarHBondContact O-N 3.12Å; H785-Q939 PolarHBondContact CD2-O 3.42Å; H785-Q939 PolarHBondContact NE2-O 3.33Å; H785-Q939 VanDerWaalsContact NE2-O 3.12Å; H785-R941 HydrophobicContact CB-CG 3.87Å
786I77.5Confident84.5Confident5 Ų541.9 Ų41.93%0.02622%0.222CC..G310 helixtrans-59.4-30.8-179.2-170161.2000113D788 M789 F809 K831 L832 H835I786-D788 VanDerWaalsContact C-N 3.26Å; I786-D788 PolarHBondContact O-N 3.48Å; I786-M789 HydrophobicContact CB-CE 4.47Å; I786-M789 HydrophobicContact CB-SD 4.47Å; I786-M789 HydrophobicContact CG1-CE 4.46Å; I786-M789 HydrophobicContact CG1-SD 3.95Å; I786-M789 WeakPolarHBondContact O-CB 3.35Å; I786-M789 WeakPolarHBondContact O-CG 3.44Å; I786-M789 PolarHBondContact O-N 2.82Å; I786-F809 HydrophobicContact CD1-CE1 4.37Å; I786-F809 HydrophobicContact CD1-CE2 4.23Å; I786-F809 HydrophobicContact CD1-CZ 4.16Å; I786-F809 HydrophobicContact CG1-CE1 3.84Å; I786-F809 HydrophobicContact CG1-CE2 3.89Å; I786-F809 HydrophobicContact CG1-CZ 3.45Å; I786-F809 VanDerWaalsContact CG1-CZ 3.45Å; I786-F809 WeakPolarHBondContact O-CZ 3.48Å; I786-K831 HydrophobicContact CD1-CB 4.26Å; I786-L832 HydrophobicContact CD1-CB 4.18Å; I786-L832 HydrophobicContact CD1-CD1 4.03Å; I786-H835 HydrophobicContact CD1-CB 4.29Å; I786-H835 HydrophobicContact CG2-CB 4.48Å
787R76.1Confident83.5Confident47 Ų4740.8 Ų40.818%0.17722%0.218CC..G310 helixtrans-72.5-9.7172.7-62.9-176.4-173.9-159.64.2115H785 M789 I799 N800H785-R787 PolarHBondContact ND1-N 3.11Å; H785-R787 PolarHBondContact O-N 3.24Å; R787-M789 VanDerWaalsContact C-N 3.31Å; R787-I799 HydrophobicContact CB-CB 4.33Å; R787-I799 VanDerWaalsContact CD-O 3.27Å; R787-I799 WeakPolarHBondContact CD-O 3.43Å; R787-I799 HydrophobicContact CG-CB 4.33Å; R787-I799 HydrophobicContact CG-CG2 4.16Å; R787-I799 WeakPolarHBondContact CG-O 3.49Å; R787-N800 PolarHBondContact NH1-OD1 2.97Å
788D80.9Confident82.3Confident39 Ų3945.6 Ų45.621%0.20924%0.244CC..G310 helixtrans-87.8-1.6173.3-56.1-49.8000112.2K784 H785 I786 V790 R941K784-D788 HydrophobicContact CB-CB 3.77Å; K784-D788 WeakPolarHBondContact CB-OD2 3.45Å; K784-D788 HydrophobicContact CD-CB 3.97Å; K784-D788 HydrophobicContact CG-CB 4.49Å; H785-D788 WeakPolarHBondContact CB-OD2 3.37Å; H785-D788 PolarHBondContact N-OD2 2.88Å; H785-D788 WeakPolarHBondContact O-CB 3.36Å; H785-D788 PolarHBondContact O-N 3.12Å; I786-D788 VanDerWaalsContact C-N 3.26Å; I786-D788 PolarHBondContact O-N 3.48Å; D788-V790 PolarHBondContact O-N 2.91Å; D788-R941 IonicContact OD1-CZ 2.69Å; D788-R941 IonicContact OD1-NH1 3.28Å; D788-R941 PolarHBondContact OD1-NH1 2.88Å; D788-R941 IonicContact OD2-CZ 2.77Å; D788-R941 IonicContact OD2-NH1 3.63Å; D788-R941 PolarHBondContact OD2-NH1 3.49Å; D788-R941 IonicContact OD2-NH2 2.69Å; D788-R941 PolarHBondContact OD2-NH2 2.93Å
789M87.1Confident81.1Confident0 Ų045 Ų450%024%0.24CC..  trans-80.845.4179.7-59.4179.9-179.400112.4F777 A780 V781 I786 R787 Y808 F809 L812 F828 K831F777-M789 HydrophobicContact CD1-CB 4.39Å; F777-M789 HydrophobicContact CE1-CB 4.13Å; A780-M789 HydrophobicContact CB-CG 3.95Å; V781-M789 HydrophobicContact CB-CE 4.13Å; V781-M789 HydrophobicContact CG2-CE 3.49Å; V781-M789 VanDerWaalsContact CG2-CE 3.49Å; V781-M789 HydrophobicContact CG2-SD 4.23Å; I786-M789 HydrophobicContact CB-CE 4.47Å; I786-M789 HydrophobicContact CB-SD 4.47Å; I786-M789 HydrophobicContact CG1-CE 4.46Å; I786-M789 HydrophobicContact CG1-SD 3.95Å; I786-M789 WeakPolarHBondContact O-CB 3.35Å; I786-M789 WeakPolarHBondContact O-CG 3.44Å; I786-M789 PolarHBondContact O-N 2.82Å; R787-M789 VanDerWaalsContact C-N 3.31Å; M789-Y808 WeakPolarHBondContact O-CE1 3.38Å; M789-Y808 PolarHBondContact O-OH 3.17Å; M789-F809 HydrophobicContact CB-CE1 4.13Å; M789-F809 HydrophobicContact SD-CE1 4.13Å; M789-L812 HydrophobicContact CB-CD2 4.36Å; M789-F828 HydrophobicContact CE-CD2 4.26Å; M789-F828 HydrophobicContact SD-CD2 3.78Å; M789-F828 HydrophobicContact SD-CE2 3.97Å; M789-K831 HydrophobicContact CE-CD 3.96Å
790V88.2Confident79.8Confident25 Ų2546.3 Ų46.315%0.15225%0.248CC..SBendtrans-88.1175177.2-67.70000112.1H776 D788 S795 P797 I799H776-V790 PolarHBondContact NE2-O 2.88Å; D788-V790 PolarHBondContact O-N 2.91Å; V790-S795 WeakPolarHBondContact CB-O 3.5Å; V790-S795 WeakPolarHBondContact CG1-O 3.24Å; V790-P797 WeakPolarHBondContact CG1-O 3.36Å; V790-I799 HydrophobicContact CG1-CD1 3.56Å; V790-I799 HydrophobicContact CG1-CG1 3.69Å
791C88.7Confident78.4Confident1 Ų149 Ų491%0.00726%0.262CS..  trans-59.5128.4173.2-173.50000112.9L761 C764 A793 S795 E796L761-C791 HydrophobicContact CD2-CB 3.7Å; C764-C791 VanDerWaalsContact SG-CB 3.6Å; C764-C791 PolarHBondContact SG-SG 2.69Å; C791-A793 PolarHBondContact O-N 2.96Å; C791-A793 PolarHBondContact SG-N 2.86Å; C791-A793 VanDerWaalsContact SG-N 3.43Å; C791-S795 WeakPolarHBondContact O-CA 3.27Å; C791-S795 PolarHBondContact O-N 2.6Å; C791-E796 VanDerWaalsContact CB-O 3.24Å; C791-E796 WeakPolarHBondContact CB-O 3.37Å; C791-E796 PolarHBondContact N-O 3.26Å
792P89.7Confident77Confident36 Ų3653 Ų5323%0.23429%0.288CS..THydrogen-bonded Turntrans-66.7-18.2176.725.2-32.9000114.3V748 V768 H776V748-P792 HydrophobicContact CG2-CB 4.02Å; V748-P792 HydrophobicContact CG2-CG 4.33Å; V768-P792 HydrophobicContact CG1-CG 4.37Å; V768-P792 HydrophobicContact CG2-CG 4.45Å; H776-P792 HydrophobicContact CB-CB 4.13Å; H776-P792 HydrophobicContact CB-CG 4.31Å
793A86.2Confident75.7Confident41 Ų4156.2 Ų56.234%0.33931%0.308SS..THydrogen-bonded Turntrans-95-25.8-177.100000114.1P747 C766 V768 C791P747-A793 HydrophobicContact CB-CB 4.45Å; P747-A793 HydrophobicContact CG-CB 3.88Å; C766-A793 HydrophobicContact CB-CB 4.05Å; V768-A793 HydrophobicContact CG1-CB 4.32Å; C791-A793 PolarHBondContact O-N 2.96Å; C791-A793 PolarHBondContact SG-N 2.86Å; C791-A793 VanDerWaalsContact SG-N 3.43Å
794C84.3Confident74.6Confident52 Ų5255.9 Ų55.935%0.35130%0.302SS..THydrogen-bonded Turntrans-142.50.3-173.9720000115.4C766 E796C766-C794 VanDerWaalsContact SG-SG 3.63Å; C794-E796 PolarHBondContact O-N 2.81Å; C794-E796 VanDerWaalsContact O-N 3.1Å
795S81.2Confident74.2Confident87 Ų8752.3 Ų52.361%0.60829%0.287SS*.  trans59.411.6-178-52.80000117V790 C791V790-S795 WeakPolarHBondContact CB-O 3.5Å; V790-S795 WeakPolarHBondContact CG1-O 3.24Å; C791-S795 WeakPolarHBondContact O-CA 3.27Å; C791-S795 PolarHBondContact O-N 2.6Å
796E78.4Confident73.9Confident98 Ų9854.7 Ų54.746%0.45830%0.301SS..  trans-86155.6173.3-65.3-72176.900111.9C764 C791 C794C764-E796 HydrophobicContact CB-CB 4.06Å; C791-E796 VanDerWaalsContact CB-O 3.24Å; C791-E796 WeakPolarHBondContact CB-O 3.37Å; C791-E796 PolarHBondContact N-O 3.26Å; C794-E796 PolarHBondContact O-N 2.81Å; C794-E796 VanDerWaalsContact O-N 3.1Å
797P71.9Confident73.4Confident13 Ų1356.6 Ų56.68%0.08431%0.314CS..SBendcis-82.8167.1-5.434.6-34.2000112.7V790 I799 Y808V790-P797 WeakPolarHBondContact CG1-O 3.36Å; P797-I799 VanDerWaalsContact O-CG1 3.28Å; P797-I799 WeakPolarHBondContact O-CG1 3.43Å; P797-I799 PolarHBondContact O-N 3.45Å; P797-Y808 HydrophobicContact CG-CD1 4.06Å; P797-Y808 HydrophobicContact CG-CD2 3.62Å; P797-Y808 HydrophobicContact CG-CE1 4.27Å; P797-Y808 HydrophobicContact CG-CE2 3.85Å; P797-Y808 HydrophobicContact CG-CG 3.72Å
798D67.1Low73.7Confident101 Ų10154.9 Ų54.954%0.5431%0.308SS..  trans-68.896170.7-172.37.2000111.9N800D798-N800 PolarHBondContact O-N 2.88Å; D798-N800 WeakPolarHBondContact OD1-CB 3.09Å; D798-N800 PolarHBondContact OD1-N 3.28Å; D798-N800 PolarHBondContact OD1-ND2 2.9Å
799I67.7Low73.7Confident6 Ų653.1 Ų53.13%0.03130%0.299CS..THydrogen-bonded Turntrans-74.634.4-179.2-35.6-173.2000112.3R787 V790 P797 L805 Y808 F809R787-I799 HydrophobicContact CB-CB 4.33Å; R787-I799 VanDerWaalsContact CD-O 3.27Å; R787-I799 WeakPolarHBondContact CD-O 3.43Å; R787-I799 HydrophobicContact CG-CB 4.33Å; R787-I799 HydrophobicContact CG-CG2 4.16Å; R787-I799 WeakPolarHBondContact CG-O 3.49Å; V790-I799 HydrophobicContact CG1-CD1 3.56Å; V790-I799 HydrophobicContact CG1-CG1 3.69Å; P797-I799 VanDerWaalsContact O-CG1 3.28Å; P797-I799 WeakPolarHBondContact O-CG1 3.43Å; P797-I799 PolarHBondContact O-N 3.45Å; I799-L805 HydrophobicContact CG2-CB 4.45Å; I799-L805 HydrophobicContact CG2-CD1 3.76Å; I799-L805 HydrophobicContact CG2-CG 3.74Å; I799-Y808 HydrophobicContact CD1-CD1 4.08Å; I799-Y808 HydrophobicContact CD1-CE1 3.75Å; I799-F809 HydrophobicContact CD1-CZ 4.07Å; I799-F809 HydrophobicContact CG2-CE2 3.75Å; I799-F809 HydrophobicContact CG2-CZ 3.95Å
800N60.6Low73.2Confident91 Ų9156.5 Ų56.549%0.48732%0.322SS..THydrogen-bonded Turntrans-108.5-12.7171.4-66.7-64.7000113.2R787 D798R787-N800 PolarHBondContact NH1-OD1 2.97Å; D798-N800 PolarHBondContact O-N 2.88Å; D798-N800 WeakPolarHBondContact OD1-CB 3.09Å; D798-N800 PolarHBondContact OD1-N 3.28Å; D798-N800 PolarHBondContact OD1-ND2 2.9Å
801D59.8Low72.7Confident57 Ų5756.6 Ų56.631%0.30532%0.323SS..  trans-87.8115.6172.9-178.1-12.8000111.3E803 Q804 L805D801-E803 VanDerWaalsContact C-N 3.28Å; D801-E803 PolarHBondContact O-N 3.5Å; D801-E803 PolarHBondContact OD1-N 3.42Å; D801-Q804 HydrophobicContact CB-CB 4.33Å; D801-Q804 HydrophobicContact CB-CG 4.42Å; D801-Q804 PolarHBondContact O-N 2.93Å; D801-Q804 PolarHBondContact OD2-NE2 3.32Å; D801-L805 WeakPolarHBondContact O-CB 3.31Å; D801-L805 PolarHBondContact O-N 3.28Å; D801-L805 VanDerWaalsContact O-N 3.1Å
802P56.7Low72.5Confident84 Ų8456.6 Ų56.655%0.54532%0.323SS..Hα-helixtrans-59.9-29.4-178.2-24.135000115.5
803E55.7Low72.2Confident173 Ų17355.6 Ų55.681%0.80832%0.315SS*.Hα-helixtrans-79.4-38.6-174.9-64.5-176.1-177.200111.4D801D801-E803 VanDerWaalsContact C-N 3.28Å; D801-E803 PolarHBondContact O-N 3.5Å; D801-E803 PolarHBondContact OD1-N 3.42Å
804Q57.8Low71.9Confident114 Ų11455.5 Ų55.553%0.53331%0.309SS..Hα-helixtrans-74-31.9175.1-63.7-175.564.600112.2D801 S807 Y808D801-Q804 HydrophobicContact CB-CB 4.33Å; D801-Q804 HydrophobicContact CB-CG 4.42Å; D801-Q804 PolarHBondContact O-N 2.93Å; D801-Q804 PolarHBondContact OD2-NE2 3.32Å; Q804-S807 PolarHBondContact O-N 3.4Å; Q804-Y808 WeakPolarHBondContact O-CB 3.38Å; Q804-Y808 PolarHBondContact O-N 2.8Å
805L68.4Low71.8Confident5 Ų553.2 Ų53.23%0.02629%0.293CS..Hα-helixtrans-59.9-52.3-174.5-174.4159.6000113.3I799 D801 S807 Y808 F809 H835I799-L805 HydrophobicContact CG2-CB 4.45Å; I799-L805 HydrophobicContact CG2-CD1 3.76Å; I799-L805 HydrophobicContact CG2-CG 3.74Å; D801-L805 WeakPolarHBondContact O-CB 3.31Å; D801-L805 PolarHBondContact O-N 3.28Å; D801-L805 VanDerWaalsContact O-N 3.1Å; L805-S807 VanDerWaalsContact C-N 3.3Å; L805-S807 PolarHBondContact O-N 2.97Å; L805-Y808 PolarHBondContact O-N 3.21Å; L805-F809 HydrophobicContact CD2-CD2 3.69Å; L805-F809 HydrophobicContact CD2-CE2 3.82Å; L805-F809 HydrophobicContact CG-CD2 4.09Å; L805-F809 HydrophobicContact CG-CE2 3.85Å; L805-F809 VanDerWaalsContact O-CD2 3.3Å; L805-F809 WeakPolarHBondContact O-CD2 3.38Å; L805-F809 PolarHBondContact O-N 2.78Å; L805-H835 WeakPolarHBondContact CD2-CE1 3.32Å
806D67.7Low72.1Confident74 Ų7449.1 Ų49.140%0.39626%0.264SS..Hα-helixtrans-66.5-34.9-177.7-69.10.1000111S810 K839D806-S810 WeakPolarHBondContact O-CB 3.27Å; D806-S810 PolarHBondContact O-N 2.72Å; D806-S810 VanDerWaalsContact O-N 3.13Å; D806-S810 PolarHBondContact O-OG 3.32Å; D806-K839 IonicContact OD1-NZ 2.85Å; D806-K839 PolarHBondContact OD1-NZ 3.32Å; D806-K839 IonicContact OD2-NZ 3.35Å; D806-K839 PolarHBondContact OD2-NZ 3.33Å
807S68.4Low72.4Confident45 Ų4550.7 Ų50.732%0.31527%0.266SS..Hα-helixtrans-69.7-39.6174.6-155.40000111.8K85 Q804 L805 S810 T811K85-S807 PolarHBondContact NZ-OG 2.7Å; K85-S807 VanDerWaalsContact NZ-OG 3.11Å; Q804-S807 PolarHBondContact O-N 3.4Å; L805-S807 VanDerWaalsContact C-N 3.3Å; L805-S807 PolarHBondContact O-N 2.97Å; S807-S810 WeakPolarHBondContact O-CB 3.47Å; S807-S810 PolarHBondContact O-N 2.73Å; S807-T811 PolarHBondContact O-N 3.04Å
808Y80.6Confident72.8Confident11 Ų1156.3 Ų56.34%0.04330%0.295CS..Hα-helixtrans-61-53.5175.5177.8-117.2000111.6M789 P797 I799 Q804 L805 S810 T811 L812M789-Y808 WeakPolarHBondContact O-CE1 3.38Å; M789-Y808 PolarHBondContact O-OH 3.17Å; P797-Y808 HydrophobicContact CG-CD1 4.06Å; P797-Y808 HydrophobicContact CG-CD2 3.62Å; P797-Y808 HydrophobicContact CG-CE1 4.27Å; P797-Y808 HydrophobicContact CG-CE2 3.85Å; P797-Y808 HydrophobicContact CG-CG 3.72Å; I799-Y808 HydrophobicContact CD1-CD1 4.08Å; I799-Y808 HydrophobicContact CD1-CE1 3.75Å; Q804-Y808 WeakPolarHBondContact O-CB 3.38Å; Q804-Y808 PolarHBondContact O-N 2.8Å; L805-Y808 PolarHBondContact O-N 3.21Å; Y808-S810 VanDerWaalsContact C-N 3.28Å; Y808-S810 PolarHBondContact O-N 2.85Å; Y808-T811 WeakPolarHBondContact O-CA 3.3Å; Y808-T811 PolarHBondContact O-N 2.93Å; Y808-T811 PolarHBondContact O-OG1 2.65Å; Y808-L812 HydrophobicContact CE1-CD2 3.86Å; Y808-L812 PolarHBondContact O-N 3.43Å
809F82.5Confident73.7Confident2 Ų252.4 Ų52.41%0.00928%0.275CS..Hα-helixtrans-65.3-30.9-179.9-71.3-61.6000113.3I786 M789 I799 L805 T811 L812 D813 F828 L832I786-F809 HydrophobicContact CD1-CE1 4.37Å; I786-F809 HydrophobicContact CD1-CE2 4.23Å; I786-F809 HydrophobicContact CD1-CZ 4.16Å; I786-F809 HydrophobicContact CG1-CE1 3.84Å; I786-F809 HydrophobicContact CG1-CE2 3.89Å; I786-F809 HydrophobicContact CG1-CZ 3.45Å; I786-F809 VanDerWaalsContact CG1-CZ 3.45Å; I786-F809 WeakPolarHBondContact O-CZ 3.48Å; M789-F809 HydrophobicContact CB-CE1 4.13Å; M789-F809 HydrophobicContact SD-CE1 4.13Å; I799-F809 HydrophobicContact CD1-CZ 4.07Å; I799-F809 HydrophobicContact CG2-CE2 3.75Å; I799-F809 HydrophobicContact CG2-CZ 3.95Å; L805-F809 HydrophobicContact CD2-CD2 3.69Å; L805-F809 HydrophobicContact CD2-CE2 3.82Å; L805-F809 HydrophobicContact CG-CD2 4.09Å; L805-F809 HydrophobicContact CG-CE2 3.85Å; L805-F809 VanDerWaalsContact O-CD2 3.3Å; L805-F809 WeakPolarHBondContact O-CD2 3.38Å; L805-F809 PolarHBondContact O-N 2.78Å; F809-T811 PolarHBondContact O-N 2.78Å; F809-L812 HydrophobicContact CD1-CD2 4.01Å; F809-L812 HydrophobicContact CE1-CD2 3.99Å; F809-L812 PolarHBondContact O-N 2.89Å; F809-D813 WeakPolarHBondContact O-CB 3.48Å; F809-D813 PolarHBondContact O-N 2.94Å; F809-F828 AromaticContact CD1-CE2 3.9Å; F809-F828 HydrophobicContact CD1-CE2 3.9Å; F809-F828 HydrophobicContact CD1-CZ 4.16Å; F809-F828 HydrophobicContact CE1-CE2 4.32Å; F809-L832 HydrophobicContact CB-CD1 3.67Å; F809-L832 HydrophobicContact CB-CD2 4.22Å; F809-L832 HydrophobicContact CD2-CD1 4.01Å; F809-L832 HydrophobicContact CG-CD1 3.84Å
810S75.6Confident74.8Confident70 Ų7052.8 Ų52.849%0.4928%0.278SS..Hα-helixtrans-59.1-33.6169.5-60.30000112.9D806 S807 Y808D806-S810 WeakPolarHBondContact O-CB 3.27Å; D806-S810 PolarHBondContact O-N 2.72Å; D806-S810 VanDerWaalsContact O-N 3.13Å; D806-S810 PolarHBondContact O-OG 3.32Å; S807-S810 WeakPolarHBondContact O-CB 3.47Å; S807-S810 PolarHBondContact O-N 2.73Å; Y808-S810 VanDerWaalsContact C-N 3.28Å; Y808-S810 PolarHBondContact O-N 2.85Å
811T78.5Confident76.2Confident28 Ų2853.1 Ų53.117%0.17228%0.276CS..Hα-helixtrans-83.3-39.6175.458.90000112.8V108 T762 S807 Y808 F809 I814V108-T811 HydrophobicContact CG1-CG2 4.37Å; V108-T811 HydrophobicContact CG2-CG2 4.14Å; V108-T811 VanDerWaalsContact CG2-O 3.31Å; V108-T811 WeakPolarHBondContact CG2-O 3.41Å; T762-T811 HydrophobicContact CG2-CG2 3.79Å; S807-T811 PolarHBondContact O-N 3.04Å; Y808-T811 WeakPolarHBondContact O-CA 3.3Å; Y808-T811 PolarHBondContact O-N 2.93Å; Y808-T811 PolarHBondContact O-OG1 2.65Å; F809-T811 PolarHBondContact O-N 2.78Å; T811-I814 PolarHBondContact O-N 3.1Å
812L84.6Confident77.6Confident0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-67.9-38-178.5-175.563.6000112F777 M789 Y808 F809 I814 Q815 L816F777-L812 HydrophobicContact CD1-CD2 4.4Å; F777-L812 HydrophobicContact CE1-CD1 3.93Å; F777-L812 HydrophobicContact CE1-CD2 3.82Å; F777-L812 HydrophobicContact CE1-CG 4.49Å; F777-L812 HydrophobicContact CE2-CD1 4.18Å; F777-L812 HydrophobicContact CZ-CD1 3.73Å; F777-L812 HydrophobicContact CZ-CD2 4.39Å; M789-L812 HydrophobicContact CB-CD2 4.36Å; Y808-L812 HydrophobicContact CE1-CD2 3.86Å; Y808-L812 PolarHBondContact O-N 3.43Å; F809-L812 HydrophobicContact CD1-CD2 4.01Å; F809-L812 HydrophobicContact CE1-CD2 3.99Å; F809-L812 PolarHBondContact O-N 2.89Å; L812-I814 VanDerWaalsContact C-N 3.26Å; L812-I814 PolarHBondContact O-N 3.08Å; L812-Q815 CarbonylContact O-C 3.59Å; L812-Q815 WeakPolarHBondContact O-CA 3.45Å; L812-Q815 WeakPolarHBondContact O-CB 3.14Å; L812-Q815 PolarHBondContact O-N 3.28Å; L812-L816 HydrophobicContact CD1-CD1 4.29Å; L812-L816 HydrophobicContact CD1-CD2 4.21Å; L812-L816 HydrophobicContact CD1-CG 4.03Å; L812-L816 HydrophobicContact CD2-CD1 4.04Å; L812-L816 HydrophobicContact CG-CD1 3.74Å; L812-L816 HydrophobicContact CG-CG 3.91Å; L812-L816 WeakPolarHBondContact O-CG 3.26Å; L812-L816 PolarHBondContact O-N 2.98Å
813D82.1Confident79.1Confident16 Ų1659 Ų599%0.08630%0.304CS..Hα-helixtrans-50.3-46.1175.9175.685.1000112.5F809 Q815 L816 R817 Y825 F828 H829F809-D813 WeakPolarHBondContact O-CB 3.48Å; F809-D813 PolarHBondContact O-N 2.94Å; D813-Q815 VanDerWaalsContact C-N 3.26Å; D813-Q815 PolarHBondContact O-N 3.43Å; D813-L816 PolarHBondContact O-N 3.1Å; D813-L816 VanDerWaalsContact O-N 3.17Å; D813-R817 WeakPolarHBondContact O-CB 3.39Å; D813-R817 PolarHBondContact O-N 3.35Å; D813-R817 IonicContact OD1-NH2 2.7Å; D813-R817 IonicContact OD2-CZ 3.82Å; D813-R817 IonicContact OD2-NE 2.82Å; D813-R817 IonicContact OD2-NH2 2.78Å; D813-R817 PolarHBondContact OD2-NH2 3.4Å; D813-Y825 VanDerWaalsContact CG-OH 3.29Å; D813-Y825 WeakPolarHBondContact OD1-CE2 3.28Å; D813-Y825 PolarHBondContact OD1-OH 3.26Å; D813-Y825 PolarHBondContact OD2-OH 3.43Å; D813-F828 HydrophobicContact CB-CE1 4Å; D813-F828 HydrophobicContact CB-CZ 4.4Å; D813-H829 IonicContact OD1-CE1 3.11Å; D813-H829 IonicContact OD1-ND1 2.73Å
814I79.9Confident80.8Confident38 Ų3850.8 Ų50.820%0.19527%0.266CS..Hα-helixtrans-64.2-32.3179-58.6173.1000111.1V108 T111 T112 T811 L812V108-I814 HydrophobicContact CG1-CD1 4.23Å; V108-I814 HydrophobicContact CG2-CB 4.14Å; V108-I814 HydrophobicContact CG2-CD1 4.17Å; V108-I814 HydrophobicContact CG2-CG2 4.35Å; T111-I814 WeakPolarHBondContact OG1-CG2 3.46Å; T112-I814 HydrophobicContact CG2-CD1 4.47Å; T811-I814 PolarHBondContact O-N 3.1Å; L812-I814 VanDerWaalsContact C-N 3.26Å; L812-I814 PolarHBondContact O-N 3.08Å
815Q82.9Confident82.3Confident5 Ų547.1 Ų47.12%0.02325%0.247CC..Hα-helixtrans-78.3-30.2175.5-49.7-156.9-110.800113.2P107 S760 T762 F773 L812 D813 C819P107-Q815 HydrophobicContact CB-CG 4.26Å; P107-Q815 VanDerWaalsContact CD-NE2 3.26Å; P107-Q815 HydrophobicContact CG-CB 4.45Å; P107-Q815 HydrophobicContact CG-CG 3.99Å; S760-Q815 PolarHBondContact O-NE2 3.12Å; T762-Q815 PolarHBondContact OG1-OE1 3.41Å; F773-Q815 HydrophobicContact CE1-CB 4.35Å; F773-Q815 HydrophobicContact CZ-CB 3.76Å; L812-Q815 CarbonylContact O-C 3.59Å; L812-Q815 WeakPolarHBondContact O-CA 3.45Å; L812-Q815 WeakPolarHBondContact O-CB 3.14Å; L812-Q815 PolarHBondContact O-N 3.28Å; D813-Q815 VanDerWaalsContact C-N 3.26Å; D813-Q815 PolarHBondContact O-N 3.43Å; Q815-C819 VanDerWaalsContact O-CB 3.3Å; Q815-C819 WeakPolarHBondContact O-CB 3.45Å
816L87.8Confident83Confident0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-85.5-34.9-175.7-66.5-176.2000113.1F773 F777 L812 D813 D818 C819 L820 Y825 F828F773-L816 HydrophobicContact CE1-CD2 3.95Å; F773-L816 HydrophobicContact CZ-CD2 4.33Å; F777-L816 HydrophobicContact CB-CD2 3.57Å; F777-L816 HydrophobicContact CD1-CD2 4.11Å; F777-L816 HydrophobicContact CD2-CD2 3.83Å; F777-L816 HydrophobicContact CG-CD2 3.57Å; L812-L816 HydrophobicContact CD1-CD1 4.29Å; L812-L816 HydrophobicContact CD1-CD2 4.21Å; L812-L816 HydrophobicContact CD1-CG 4.03Å; L812-L816 HydrophobicContact CD2-CD1 4.04Å; L812-L816 HydrophobicContact CG-CD1 3.74Å; L812-L816 HydrophobicContact CG-CG 3.91Å; L812-L816 WeakPolarHBondContact O-CG 3.26Å; L812-L816 PolarHBondContact O-N 2.98Å; D813-L816 PolarHBondContact O-N 3.1Å; D813-L816 VanDerWaalsContact O-N 3.17Å; L816-D818 VanDerWaalsContact C-N 3.34Å; L816-D818 PolarHBondContact O-N 3.08Å; L816-C819 PolarHBondContact O-N 3.17Å; L816-L820 HydrophobicContact CB-CD1 3.84Å; L816-L820 HydrophobicContact CB-CG 4.09Å; L816-L820 HydrophobicContact CD1-CD1 4.1Å; L816-L820 HydrophobicContact CD2-CD1 4.03Å; L816-L820 HydrophobicContact CD2-CD2 4.34Å; L816-L820 HydrophobicContact CD2-CG 4.11Å; L816-L820 HydrophobicContact CG-CD1 4.19Å; L816-L820 PolarHBondContact O-N 3.43Å; L816-Y825 HydrophobicContact CB-CD2 4.43Å; L816-F828 HydrophobicContact CD1-CD1 4.22Å; L816-F828 HydrophobicContact CD1-CD2 3.85Å; L816-F828 HydrophobicContact CD1-CE1 4.21Å; L816-F828 HydrophobicContact CD1-CE2 3.84Å; L816-F828 HydrophobicContact CD1-CG 4.05Å; L816-F828 HydrophobicContact CD1-CZ 4.03Å
817R84.5Confident83.9Confident131 Ų13153.2 Ų53.249%0.49428%0.275SS..Hα-helixtrans-48.3-48-177.4-178.7-174.6-60.9-101.1-5.7114.2D813 Y825D813-R817 WeakPolarHBondContact O-CB 3.39Å; D813-R817 PolarHBondContact O-N 3.35Å; D813-R817 IonicContact OD1-NH2 2.7Å; D813-R817 IonicContact OD2-CZ 3.82Å; D813-R817 IonicContact OD2-NE 2.82Å; D813-R817 IonicContact OD2-NH2 2.78Å; D813-R817 PolarHBondContact OD2-NH2 3.4Å; R817-Y825 HydrophobicContact CB-CE2 3.96Å; R817-Y825 HydrophobicContact CG-CE1 4.31Å; R817-Y825 VanDerWaalsContact CZ-OH 3.29Å; R817-Y825 PolarHBondContact NH2-OH 3.07Å
818D79.3Confident84.7Confident132 Ų13251 Ų5171%0.70626%0.26SS*.THydrogen-bonded Turntrans-94.24-177.2-58.4-17.2000112.6L816L816-D818 VanDerWaalsContact C-N 3.34Å; L816-D818 PolarHBondContact O-N 3.08Å
819C87Confident84.8Confident18 Ų1854.8 Ų54.812%0.12228%0.277CS..THydrogen-bonded Turntrans-116-39.5-170.6-169.50000113.7F773 R774 Q815 L816F773-C819 VanDerWaalsContact CD1-SG 3.59Å; F773-C819 HydrophobicContact CE1-CB 4.39Å; R774-C819 PolarHBondContact NE-O 2.81Å; Q815-C819 VanDerWaalsContact O-CB 3.3Å; Q815-C819 WeakPolarHBondContact O-CB 3.45Å; L816-C819 PolarHBondContact O-N 3.17Å
820L90.4Very high84.7Confident15 Ų1558.9 Ų58.98%0.07930%0.295CS..SBendtrans-85.7161.4-179.7-59.6-174.7000112.2F777 T778 V781 L816 V824F777-L820 HydrophobicContact CB-CD2 4.11Å; T778-L820 WeakPolarHBondContact OG1-CD2 3.5Å; V781-L820 HydrophobicContact CG2-CD1 4.4Å; L816-L820 HydrophobicContact CB-CD1 3.84Å; L816-L820 HydrophobicContact CB-CG 4.09Å; L816-L820 HydrophobicContact CD1-CD1 4.1Å; L816-L820 HydrophobicContact CD2-CD1 4.03Å; L816-L820 HydrophobicContact CD2-CD2 4.34Å; L816-L820 HydrophobicContact CD2-CG 4.11Å; L816-L820 HydrophobicContact CG-CD1 4.19Å; L816-L820 PolarHBondContact O-N 3.43Å; L820-V824 HydrophobicContact CB-CB 4.39Å; L820-V824 HydrophobicContact CD1-CG1 4.03Å
821E89.6Confident85Confident98 Ų9857.6 Ų57.646%0.45828%0.281SS..  trans-68145.8168-57.3173.5137.600109.8R782 E823 V824 Y825R782-E821 IonicContact CZ-OE2 2.74Å; R782-E821 IonicContact NH1-OE2 2.82Å; R782-E821 PolarHBondContact NH1-OE2 3.34Å; R782-E821 IonicContact NH2-OE2 3.21Å; R782-E821 PolarHBondContact NH2-OE2 2.9Å; E821-E823 VanDerWaalsContact C-N 3.33Å; E821-E823 PolarHBondContact O-N 3.33Å; E821-V824 HydrophobicContact CB-CG2 4.04Å; E821-V824 WeakPolarHBondContact O-CA 3.3Å; E821-V824 WeakPolarHBondContact O-CB 3.3Å; E821-V824 PolarHBondContact O-N 3.34Å; E821-Y825 PolarHBondContact O-N 3.05Å
822P88.9Confident84.9Confident108 Ų10858 Ų5870%0.70128%0.282SS*.Hα-helixtrans-53.5-43.5-175.8-29.636.1000114.5V824 Y825 E826P822-V824 VanDerWaalsContact C-N 3.26Å; P822-V824 PolarHBondContact O-N 3.05Å; P822-Y825 PolarHBondContact O-N 3.06Å; P822-E826 PolarHBondContact O-N 3.09Å
823E89.1Confident84.5Confident155 Ų15561.3 Ų61.372%0.72430%0.302SS*.Hα-helixtrans-60.3-35177-58.7179.4175.100112.8E821 L827E821-E823 VanDerWaalsContact C-N 3.33Å; E821-E823 PolarHBondContact O-N 3.33Å; E823-L827 WeakPolarHBondContact O-CB 3.25Å; E823-L827 PolarHBondContact O-N 3.2Å; E823-L827 VanDerWaalsContact O-N 3.12Å
824V90.3Very high84Confident1 Ų161.8 Ų61.81%0.00630%0.304CS..Hα-helixtrans-77.3-39.1178.2-172.70000109.8T778 V781 L820 E821 P822 L827 F828T778-V824 HydrophobicContact CG2-CG1 4.36Å; T778-V824 HydrophobicContact CG2-CG2 4.33Å; V781-V824 HydrophobicContact CB-CG1 3.81Å; V781-V824 HydrophobicContact CG1-CG1 3.71Å; V781-V824 VanDerWaalsContact CG1-O 3.32Å; V781-V824 WeakPolarHBondContact CG1-O 3.35Å; V781-V824 HydrophobicContact CG2-CG1 4.49Å; L820-V824 HydrophobicContact CB-CB 4.39Å; L820-V824 HydrophobicContact CD1-CG1 4.03Å; E821-V824 HydrophobicContact CB-CG2 4.04Å; E821-V824 WeakPolarHBondContact O-CA 3.3Å; E821-V824 WeakPolarHBondContact O-CB 3.3Å; E821-V824 PolarHBondContact O-N 3.34Å; P822-V824 VanDerWaalsContact C-N 3.26Å; P822-V824 PolarHBondContact O-N 3.05Å; V824-L827 PolarHBondContact O-N 3.4Å; V824-F828 PolarHBondContact O-N 3.23Å
825Y89.1Confident83.6Confident37 Ų3760.8 Ų60.815%0.14530%0.298CS..Hα-helixtrans-64.4-39.3174.9-177.7-113000112.1D813 L816 R817 E821 P822 F828 H829D813-Y825 VanDerWaalsContact CG-OH 3.29Å; D813-Y825 WeakPolarHBondContact OD1-CE2 3.28Å; D813-Y825 PolarHBondContact OD1-OH 3.26Å; D813-Y825 PolarHBondContact OD2-OH 3.43Å; L816-Y825 HydrophobicContact CB-CD2 4.43Å; R817-Y825 HydrophobicContact CB-CE2 3.96Å; R817-Y825 HydrophobicContact CG-CE1 4.31Å; R817-Y825 VanDerWaalsContact CZ-OH 3.29Å; R817-Y825 PolarHBondContact NH2-OH 3.07Å; E821-Y825 PolarHBondContact O-N 3.05Å; P822-Y825 PolarHBondContact O-N 3.06Å; Y825-F828 HydrophobicContact CD2-CD1 4.08Å; Y825-F828 AromaticContact CE2-CD1 4Å; Y825-F828 HydrophobicContact CE2-CD1 4Å; Y825-F828 HydrophobicContact CE2-CE1 4.34Å; Y825-F828 WeakPolarHBondContact O-CB 3.49Å; Y825-F828 PolarHBondContact O-N 3.09Å; Y825-H829 PolarHBondContact O-N 3.45Å
826E84.9Confident83Confident147 Ų14763.3 Ų63.369%0.68732%0.32SS*.Hα-helixtrans-63.7-39.9170.6-72.2-157.2153.700112.4P822 F828 H829 K830P822-E826 PolarHBondContact O-N 3.09Å; E826-F828 VanDerWaalsContact C-N 3.34Å; E826-F828 PolarHBondContact O-N 3.06Å; E826-H829 PolarHBondContact O-N 3.13Å; E826-K830 WeakPolarHBondContact O-CB 3.34Å; E826-K830 PolarHBondContact O-N 3.32Å
827L84.9Confident82.1Confident60 Ų6066 Ų6631%0.31433%0.334SS..Hα-helixtrans-65.1-36.5175.2-177.759.2000112.4V781 R782 E823 V824 K831V781-L827 HydrophobicContact CG1-CB 3.91Å; V781-L827 HydrophobicContact CG1-CD2 4.1Å; V781-L827 HydrophobicContact CG1-CG 3.85Å; V781-L827 WeakPolarHBondContact O-CD2 3.36Å; R782-L827 HydrophobicContact CG-CD2 4.47Å; E823-L827 WeakPolarHBondContact O-CB 3.25Å; E823-L827 PolarHBondContact O-N 3.2Å; E823-L827 VanDerWaalsContact O-N 3.12Å; V824-L827 PolarHBondContact O-N 3.4Å; L827-K831 WeakPolarHBondContact O-CG 3.27Å; L827-K831 PolarHBondContact O-N 3.01Å; L827-K831 VanDerWaalsContact O-N 3.08Å
828F86Confident81.2Confident0 Ų062.4 Ų62.40%032%0.323CS..Hα-helixtrans-61.6-51.2170.7164.5-105.4000110.8V781 M789 F809 D813 L816 V824 Y825 E826 K830 K831 L832V781-F828 HydrophobicContact CG1-CB 3.92Å; V781-F828 HydrophobicContact CG2-CB 3.87Å; V781-F828 HydrophobicContact CG2-CD2 4.27Å; V781-F828 HydrophobicContact CG2-CG 4.48Å; M789-F828 HydrophobicContact CE-CD2 4.26Å; M789-F828 HydrophobicContact SD-CD2 3.78Å; M789-F828 HydrophobicContact SD-CE2 3.97Å; F809-F828 AromaticContact CD1-CE2 3.9Å; F809-F828 HydrophobicContact CD1-CE2 3.9Å; F809-F828 HydrophobicContact CD1-CZ 4.16Å; F809-F828 HydrophobicContact CE1-CE2 4.32Å; D813-F828 HydrophobicContact CB-CE1 4Å; D813-F828 HydrophobicContact CB-CZ 4.4Å; L816-F828 HydrophobicContact CD1-CD1 4.22Å; L816-F828 HydrophobicContact CD1-CD2 3.85Å; L816-F828 HydrophobicContact CD1-CE1 4.21Å; L816-F828 HydrophobicContact CD1-CE2 3.84Å; L816-F828 HydrophobicContact CD1-CG 4.05Å; L816-F828 HydrophobicContact CD1-CZ 4.03Å; V824-F828 PolarHBondContact O-N 3.23Å; Y825-F828 HydrophobicContact CD2-CD1 4.08Å; Y825-F828 AromaticContact CE2-CD1 4Å; Y825-F828 HydrophobicContact CE2-CD1 4Å; Y825-F828 HydrophobicContact CE2-CE1 4.34Å; Y825-F828 WeakPolarHBondContact O-CB 3.49Å; Y825-F828 PolarHBondContact O-N 3.09Å; E826-F828 VanDerWaalsContact C-N 3.34Å; E826-F828 PolarHBondContact O-N 3.06Å; F828-K830 VanDerWaalsContact C-N 3.32Å; F828-K830 PolarHBondContact O-N 3.17Å; F828-K831 PolarHBondContact O-N 3.39Å; F828-L832 HydrophobicContact CZ-CD2 4.29Å; F828-L832 PolarHBondContact O-N 3.12Å
829H82Confident80.5Confident89 Ų8961.6 Ų61.641%0.41231%0.314SS..Hα-helixtrans-63.4-39.3-178.1-143.369000111.3D813 Y825 E826 L832 T833D813-H829 IonicContact OD1-CE1 3.11Å; D813-H829 IonicContact OD1-ND1 2.73Å; Y825-H829 PolarHBondContact O-N 3.45Å; E826-H829 PolarHBondContact O-N 3.13Å; H829-L832 PolarHBondContact O-N 3.31Å; H829-T833 PolarHBondContact O-N 3.44Å; H829-T833 PolarHBondContact O-OG1 3.05Å; H829-T833 VanDerWaalsContact O-OG1 3.09Å
830K81.2Confident79.4Confident88 Ų8863.7 Ų63.738%0.38332%0.323SS..Hα-helixtrans-57.6-49.9171.6-178.7-176.3169.4-170.90112.1E826 F828 L832 T833 E834E826-K830 WeakPolarHBondContact O-CB 3.34Å; E826-K830 PolarHBondContact O-N 3.32Å; F828-K830 VanDerWaalsContact C-N 3.32Å; F828-K830 PolarHBondContact O-N 3.17Å; K830-L832 VanDerWaalsContact C-N 3.27Å; K830-L832 PolarHBondContact O-N 2.95Å; K830-T833 PolarHBondContact O-N 3.12Å; K830-E834 WeakPolarHBondContact CE-OE1 3.42Å; K830-E834 HydrophobicContact CG-CG 4.49Å; K830-E834 IonicContact NZ-OE1 3.59Å; K830-E834 WeakPolarHBondContact O-CG 3.42Å; K830-E834 PolarHBondContact O-N 3.49Å
831K80.9Confident78.2Confident43 Ų4369.2 Ų69.219%0.18736%0.36CS..Hα-helixtrans-60.9-37.4177.1-72.8-175.1-153.7-115.50111.9V781 K784 I786 M789 L827 F828 E834 H835V781-K831 WeakPolarHBondContact O-CE 3.46Å; V781-K831 PolarHBondContact O-NZ 3.03Å; K784-K831 PolarHBondContact O-NZ 3.34Å; I786-K831 HydrophobicContact CD1-CB 4.26Å; M789-K831 HydrophobicContact CE-CD 3.96Å; L827-K831 WeakPolarHBondContact O-CG 3.27Å; L827-K831 PolarHBondContact O-N 3.01Å; L827-K831 VanDerWaalsContact O-N 3.08Å; F828-K831 PolarHBondContact O-N 3.39Å; K831-E834 PolarHBondContact O-N 3Å; K831-H835 VanDerWaalsContact O-CB 3.32Å; K831-H835 WeakPolarHBondContact O-CB 3.35Å; K831-H835 PolarHBondContact O-N 3Å
832L77.8Confident77.4Confident37 Ų3769.2 Ų69.219%0.19436%0.359CS..Hα-helixtrans-67.8-40.8177.2-174.162.7000111.5I786 F809 F828 H829 K830 H835 A836I786-L832 HydrophobicContact CD1-CB 4.18Å; I786-L832 HydrophobicContact CD1-CD1 4.03Å; F809-L832 HydrophobicContact CB-CD1 3.67Å; F809-L832 HydrophobicContact CB-CD2 4.22Å; F809-L832 HydrophobicContact CD2-CD1 4.01Å; F809-L832 HydrophobicContact CG-CD1 3.84Å; F828-L832 HydrophobicContact CZ-CD2 4.29Å; F828-L832 PolarHBondContact O-N 3.12Å; H829-L832 PolarHBondContact O-N 3.31Å; K830-L832 VanDerWaalsContact C-N 3.27Å; K830-L832 PolarHBondContact O-N 2.95Å; L832-H835 PolarHBondContact O-N 3.15Å; L832-A836 WeakPolarHBondContact O-CB 3.48Å; L832-A836 PolarHBondContact O-N 3.41Å
833T75.1Confident77Confident70 Ų7065.2 Ų65.243%0.42933%0.33SS..Hα-helixtrans-62.2-49.2171.2-57.60000111.4H829 K830 H835 A836 L837H829-T833 PolarHBondContact O-N 3.44Å; H829-T833 PolarHBondContact O-OG1 3.05Å; H829-T833 VanDerWaalsContact O-OG1 3.09Å; K830-T833 PolarHBondContact O-N 3.12Å; T833-H835 VanDerWaalsContact C-N 3.28Å; T833-H835 PolarHBondContact O-N 3.47Å; T833-A836 PolarHBondContact O-N 2.97Å; T833-A836 VanDerWaalsContact O-N 3.15Å; T833-L837 HydrophobicContact CG2-CD1 3.8Å; T833-L837 HydrophobicContact CG2-CG 4.2Å; T833-L837 WeakPolarHBondContact O-CB 3.19Å; T833-L837 VanDerWaalsContact O-CG 3.22Å; T833-L837 WeakPolarHBondContact O-CG 3.48Å; T833-L837 PolarHBondContact O-N 3.1Å
834E72.4Confident76.2Confident25 Ų2558.7 Ų58.712%0.11730%0.3CS..Hα-helixtrans-58.7-38.8176.6-73.6175.9155.600111.8K830 K831 L837 M838 W845K830-E834 WeakPolarHBondContact CE-OE1 3.42Å; K830-E834 HydrophobicContact CG-CG 4.49Å; K830-E834 IonicContact NZ-OE1 3.59Å; K830-E834 WeakPolarHBondContact O-CG 3.42Å; K830-E834 PolarHBondContact O-N 3.49Å; K831-E834 PolarHBondContact O-N 3Å; E834-L837 PolarHBondContact O-N 3.49Å; E834-M838 WeakPolarHBondContact O-CG 3.25Å; E834-M838 PolarHBondContact O-N 3.49Å; E834-W845 HydrophobicContact CB-CH2 4.29Å
835H72.4Confident75.6Confident18 Ų1859.7 Ų59.78%0.08330%0.304CS..Hα-helixtrans-69.1-37.2175-173.9-89.5000113.5I786 L805 K831 L832 T833I786-H835 HydrophobicContact CD1-CB 4.29Å; I786-H835 HydrophobicContact CG2-CB 4.48Å; L805-H835 WeakPolarHBondContact CD2-CE1 3.32Å; K831-H835 VanDerWaalsContact O-CB 3.32Å; K831-H835 WeakPolarHBondContact O-CB 3.35Å; K831-H835 PolarHBondContact O-N 3Å; L832-H835 PolarHBondContact O-N 3.15Å; T833-H835 VanDerWaalsContact C-N 3.28Å; T833-H835 PolarHBondContact O-N 3.47Å
836A69.2Low75.2Confident57 Ų5758 Ų5847%0.47130%0.297SS..Hα-helixtrans-66.7-42.7173.500000111.2L832 T833 M838 K839L832-A836 WeakPolarHBondContact O-CB 3.48Å; L832-A836 PolarHBondContact O-N 3.41Å; T833-A836 PolarHBondContact O-N 2.97Å; T833-A836 VanDerWaalsContact O-N 3.15Å; A836-M838 VanDerWaalsContact C-N 3.32Å; A836-M838 PolarHBondContact O-N 3.39Å; A836-K839 WeakPolarHBondContact O-CB 3.39Å; A836-K839 PolarHBondContact O-N 3.29Å
837L68.5Low74.6Confident56 Ų5653.5 Ų53.529%0.29328%0.282SS..Hα-helixtrans-67.7-27178-64.9172.2000112.9T833 E834 K839 D840 F843 I854T833-L837 HydrophobicContact CG2-CD1 3.8Å; T833-L837 HydrophobicContact CG2-CG 4.2Å; T833-L837 WeakPolarHBondContact O-CB 3.19Å; T833-L837 VanDerWaalsContact O-CG 3.22Å; T833-L837 WeakPolarHBondContact O-CG 3.48Å; T833-L837 PolarHBondContact O-N 3.1Å; E834-L837 PolarHBondContact O-N 3.49Å; L837-K839 PolarHBondContact O-N 3.01Å; L837-D840 WeakPolarHBondContact O-CB 3.37Å; L837-D840 PolarHBondContact O-N 2.98Å; L837-F843 HydrophobicContact CB-CD2 3.52Å; L837-F843 HydrophobicContact CB-CE2 3.37Å; L837-F843 HydrophobicContact CB-CG 4.47Å; L837-F843 HydrophobicContact CB-CZ 4.24Å; L837-F843 HydrophobicContact CD1-CE2 4.24Å; L837-F843 HydrophobicContact CG-CE2 4.46Å; L837-F843 VanDerWaalsContact O-CB 3.28Å; L837-F843 WeakPolarHBondContact O-CB 3.36Å; L837-F843 WeakPolarHBondContact O-CD2 3.29Å; L837-F843 WeakPolarHBondContact O-CG 3.5Å; L837-I854 HydrophobicContact CD2-CD1 3.62Å; L837-I854 HydrophobicContact CD2-CG1 4.12Å
838M66.5Low74Confident56 Ų5653.4 Ų53.428%0.27628%0.28SS..THydrogen-bonded Turntrans-54.4-21.6170.9-76.3-167.7-166.600113.7E834 A836 D840 F843 W845E834-M838 WeakPolarHBondContact O-CG 3.25Å; E834-M838 PolarHBondContact O-N 3.49Å; A836-M838 VanDerWaalsContact C-N 3.32Å; A836-M838 PolarHBondContact O-N 3.39Å; M838-D840 VanDerWaalsContact C-N 3.3Å; M838-F843 HydrophobicContact CB-CD1 4.44Å; M838-F843 HydrophobicContact CB-CE1 4.32Å; M838-F843 HydrophobicContact CG-CD1 4.24Å; M838-F843 HydrophobicContact CG-CE1 3.69Å; M838-F843 HydrophobicContact CG-CZ 4.31Å; M838-W845 HydrophobicContact CE-CH2 4.46Å; M838-W845 HydrophobicContact CE-CZ2 3.5Å; M838-W845 VanDerWaalsContact CE-CZ2 3.5Å; M838-W845 HydrophobicContact CG-CZ2 4.24Å
839K64.1Low73.3Confident116 Ų11655.3 Ų55.350%0.50429%0.292SS..THydrogen-bonded Turntrans-77.5-12.9178.6-56.5-177.2-172.3-1790112.9D806 A836 L837D806-K839 IonicContact OD1-NZ 2.85Å; D806-K839 PolarHBondContact OD1-NZ 3.32Å; D806-K839 IonicContact OD2-NZ 3.35Å; D806-K839 PolarHBondContact OD2-NZ 3.33Å; A836-K839 WeakPolarHBondContact O-CB 3.39Å; A836-K839 PolarHBondContact O-N 3.29Å; L837-K839 PolarHBondContact O-N 3.01Å
840D64.3Low72.6Confident61 Ų6155.9 Ų55.933%0.32630%0.303SS..SBendtrans-87.8131.8-179.5-168.8-66.3000112.1L837 M838 K842 F843 I854L837-D840 WeakPolarHBondContact O-CB 3.37Å; L837-D840 PolarHBondContact O-N 2.98Å; M838-D840 VanDerWaalsContact C-N 3.3Å; D840-K842 PolarHBondContact O-N 3.07Å; D840-K842 WeakPolarHBondContact OD1-CA 3.42Å; D840-K842 VanDerWaalsContact OD1-CB 3.27Å; D840-K842 WeakPolarHBondContact OD1-CB 3.46Å; D840-K842 PolarHBondContact OD1-N 2.98Å; D840-F843 WeakPolarHBondContact O-CB 3.33Å; D840-F843 PolarHBondContact O-N 2.84Å; D840-F843 VanDerWaalsContact O-N 3.07Å; D840-I854 HydrophobicContact CB-CD1 3.92Å; D840-I854 HydrophobicContact CB-CG1 4.28Å
841P65.2Low72.1Confident132 Ų13252.2 Ų52.286%0.85729%0.288SS*.THydrogen-bonded Turntrans-66.4-14.6-178.828.1-36.4000115.1
842K73.1Confident71.8Confident98 Ų9850.7 Ų50.743%0.42628%0.284SS..THydrogen-bonded Turntrans-90.20.3173.7-63.5175.4172.8175.30113.5D840 I854 N855 D856D840-K842 PolarHBondContact O-N 3.07Å; D840-K842 WeakPolarHBondContact OD1-CA 3.42Å; D840-K842 VanDerWaalsContact OD1-CB 3.27Å; D840-K842 WeakPolarHBondContact OD1-CB 3.46Å; D840-K842 PolarHBondContact OD1-N 2.98Å; K842-I854 HydrophobicContact CB-CG2 3.99Å; K842-I854 HydrophobicContact CD-CG2 4.34Å; K842-N855 PolarHBondContact O-N 2.97Å; K842-D856 WeakPolarHBondContact CD-OD1 3.33Å; K842-D856 IonicContact NZ-OD1 3.88Å; K842-D856 PolarHBondContact NZ-OD1 3.42Å
843F79.8Confident71.9Confident23 Ų2350.1 Ų50.110%0.10128%0.28CS..EExtended strand (participates in β ladder)trans-73.6130.4-176.7-173.9-104.3000112.5L837 M838 D840 W845 G852 F853 I854L837-F843 HydrophobicContact CB-CD2 3.52Å; L837-F843 HydrophobicContact CB-CE2 3.37Å; L837-F843 HydrophobicContact CB-CG 4.47Å; L837-F843 HydrophobicContact CB-CZ 4.24Å; L837-F843 HydrophobicContact CD1-CE2 4.24Å; L837-F843 HydrophobicContact CG-CE2 4.46Å; L837-F843 VanDerWaalsContact O-CB 3.28Å; L837-F843 WeakPolarHBondContact O-CB 3.36Å; L837-F843 WeakPolarHBondContact O-CD2 3.29Å; L837-F843 WeakPolarHBondContact O-CG 3.5Å; M838-F843 HydrophobicContact CB-CD1 4.44Å; M838-F843 HydrophobicContact CB-CE1 4.32Å; M838-F843 HydrophobicContact CG-CD1 4.24Å; M838-F843 HydrophobicContact CG-CE1 3.69Å; M838-F843 HydrophobicContact CG-CZ 4.31Å; D840-F843 WeakPolarHBondContact O-CB 3.33Å; D840-F843 PolarHBondContact O-N 2.84Å; D840-F843 VanDerWaalsContact O-N 3.07Å; F843-W845 HydrophobicContact CE1-CD2 4.33Å; F843-W845 AromaticContact CE1-CE2 3.59Å; F843-W845 AromaticContact CE1-CZ2 3.68Å; F843-W845 HydrophobicContact CE1-CZ2 3.68Å; F843-W845 AromaticContact CE1-NE1 3.56Å; F843-W845 HydrophobicContact CZ-CH2 4.35Å; F843-W845 AromaticContact CZ-CZ2 3.86Å; F843-W845 HydrophobicContact CZ-CZ2 3.86Å; F843-G852 VanDerWaalsContact CE2-C 3.41Å; F843-F853 VanDerWaalsContact CE2-N 3.29Å; F843-I854 HydrophobicContact CD2-CG1 4.32Å
844L73.3Confident71.9Confident18 Ų1849.3 Ų49.39%0.09427%0.273CS..EExtended strand (participates in β ladder)trans-124.8130.2-179.7-65.8178.8000111.4G852 F853 N855 V862 F871 A873L844-G852 WeakPolarHBondContact O-CA 3.44Å; L844-F853 PolarHBondContact N-O 2.98Å; L844-F853 PolarHBondContact O-N 3.47Å; L844-N855 HydrophobicContact CD1-CB 3.74Å; L844-N855 HydrophobicContact CG-CB 4.37Å; L844-V862 HydrophobicContact CD1-CB 4.43Å; L844-V862 HydrophobicContact CD1-CG1 4.19Å; L844-V862 HydrophobicContact CD1-CG2 3.88Å; L844-F871 HydrophobicContact CB-CE2 4.42Å; L844-F871 HydrophobicContact CB-CZ 4.29Å; L844-F871 HydrophobicContact CD1-CE2 4.43Å; L844-A873 HydrophobicContact CD1-CB 4.19Å
845W76.8Confident72.2Confident22 Ų2250 Ų508%0.08328%0.277CS..EExtended strand (participates in β ladder)trans-77.5135161.6-76104.9000110.2E834 M838 F843 F871 F923E834-W845 HydrophobicContact CB-CH2 4.29Å; M838-W845 HydrophobicContact CE-CH2 4.46Å; M838-W845 HydrophobicContact CE-CZ2 3.5Å; M838-W845 VanDerWaalsContact CE-CZ2 3.5Å; M838-W845 HydrophobicContact CG-CZ2 4.24Å; F843-W845 HydrophobicContact CE1-CD2 4.33Å; F843-W845 AromaticContact CE1-CE2 3.59Å; F843-W845 AromaticContact CE1-CZ2 3.68Å; F843-W845 HydrophobicContact CE1-CZ2 3.68Å; F843-W845 AromaticContact CE1-NE1 3.56Å; F843-W845 HydrophobicContact CZ-CH2 4.35Å; F843-W845 AromaticContact CZ-CZ2 3.86Å; F843-W845 HydrophobicContact CZ-CZ2 3.86Å; W845-F871 WeakPolarHBondContact O-CE2 3.39Å; W845-F923 HydrophobicContact CB-CD2 4.02Å; W845-F923 HydrophobicContact CG-CD2 4.23Å
846C80Confident72Confident1 Ų154.5 Ų54.51%0.00730%0.302CS..  trans-70.7134.5170.4-170.80000111.1H848 C849 S851 F853 C864 C867 F871C846-H848 PolarHBondContact O-N 3.47Å; C846-H848 PolarHBondContact SG-N 2.98Å; C846-C849 VanDerWaalsContact O-O 3.05Å; C846-S851 WeakPolarHBondContact CB-O 3.3Å; C846-S851 PolarHBondContact N-O 2.69Å; C846-F853 HydrophobicContact CB-CE1 4.4Å; C846-C864 HydrophobicContact CB-CB 4.12Å; C846-C864 VanDerWaalsContact SG-CB 3.51Å; C846-C867 VanDerWaalsContact SG-SG 3.68Å; C846-F871 HydrophobicContact CB-CE1 4.12Å; C846-F871 HydrophobicContact CB-CZ 4.47Å
847C73.5Confident71.9Confident54 Ų5453.2 Ų53.237%0.36529%0.294SS..SBendtrans-74.8-7.617371.70000113.9F871 K876C847-F871 WeakPolarHBondContact SG-CB 3.48Å; C847-K876 WeakPolarHBondContact CB-O 3.47Å
848H71.3Confident72Confident58 Ų5858.8 Ų58.827%0.26932%0.324SS..SBendtrans-107.9-14-175.8-60.5-85.1000114.6C846 K869 S870C846-H848 PolarHBondContact O-N 3.47Å; C846-H848 PolarHBondContact SG-N 2.98Å; H848-K869 HydrophobicContact CB-CB 4.27Å; H848-K869 HydrophobicContact CB-CD 3.78Å; H848-K869 VanDerWaalsContact CD2-CB 3.49Å; H848-K869 WeakPolarHBondContact CD2-CB 3.23Å; H848-K869 VanDerWaalsContact ND1-CD 3.34Å; H848-K869 WeakPolarHBondContact ND1-CD 3.23Å; H848-S870 PolarHBondContact NE2-O 2.75Å
849C71.6Confident72.6Confident39 Ų3963.1 Ų63.126%0.26434%0.344SS..SBendtrans-161163.8-179.966.50000111.7C846 S851 C867C846-C849 VanDerWaalsContact O-O 3.05Å; C849-S851 PolarHBondContact O-N 2.66Å; C849-C867 HydrophobicContact CB-CB 4.14Å
850T67.4Low73.5Confident102 Ų10260 Ų6063%0.62633%0.333SS*.SBendtrans-77.547-179.658.60000113.3
851S70.3Confident74.7Confident10 Ų1061.5 Ų61.57%0.0734%0.336CS..  trans-123.4131.2177.7-660000110.8C846 C849 S866C846-S851 WeakPolarHBondContact CB-O 3.3Å; C846-S851 PolarHBondContact N-O 2.69Å; C849-S851 PolarHBondContact O-N 2.66Å; S851-S866 WeakPolarHBondContact CB-OG 3.27Å; S851-S866 WeakPolarHBondContact OG-CB 3.25Å; S851-S866 PolarHBondContact OG-OG 2.93Å
852G75.8Confident75.8Confident11 Ų1155.5 Ų55.511%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-111146.9175.200000111.6F843 L844F843-G852 VanDerWaalsContact CE2-C 3.41Å; L844-G852 WeakPolarHBondContact O-CA 3.44Å
853F78.4Confident76.6Confident26 Ų2654 Ų5411%0.11430%0.296CS..EExtended strand (participates in β ladder)trans-156.8155.8-177.859.4-78.5000111.5F843 L844 C846 V862 C864 P865 F871F843-F853 VanDerWaalsContact CE2-N 3.29Å; L844-F853 PolarHBondContact N-O 2.98Å; L844-F853 PolarHBondContact O-N 3.47Å; C846-F853 HydrophobicContact CB-CE1 4.4Å; F853-V862 HydrophobicContact CE2-CG1 3.54Å; F853-V862 HydrophobicContact CZ-CG1 3.61Å; F853-C864 HydrophobicContact CE1-CB 4.13Å; F853-C864 HydrophobicContact CZ-CB 4.43Å; F853-P865 HydrophobicContact CB-CG 4.47Å; F853-P865 HydrophobicContact CD2-CG 4.08Å; F853-P865 HydrophobicContact CG-CG 4.14Å; F853-F871 HydrophobicContact CE1-CE1 4.03Å; F853-F871 AromaticContact CE1-CZ 3.97Å; F853-F871 HydrophobicContact CE1-CZ 3.97Å; F853-F871 AromaticContact CZ-CE1 3.74Å; F853-F871 HydrophobicContact CZ-CE1 3.74Å; F853-F871 AromaticContact CZ-CZ 3.7Å; F853-F871 HydrophobicContact CZ-CZ 3.7Å
854I77.1Confident76.7Confident53 Ų5352.9 Ų52.927%0.27229%0.291SS..EExtended strand (participates in β ladder)trans-76.2137.2170.8-71.9178.2000109.5L837 D840 K842 F843L837-I854 HydrophobicContact CD2-CD1 3.62Å; L837-I854 HydrophobicContact CD2-CG1 4.12Å; D840-I854 HydrophobicContact CB-CD1 3.92Å; D840-I854 HydrophobicContact CB-CG1 4.28Å; K842-I854 HydrophobicContact CB-CG2 3.99Å; K842-I854 HydrophobicContact CD-CG2 4.34Å; F843-I854 HydrophobicContact CD2-CG1 4.32Å
855N78.6Confident77.1Confident38 Ų3855.6 Ų55.620%0.20331%0.31CS..  trans-115103.9171.4172.355.5000111K842 L844 G857 V862K842-N855 PolarHBondContact O-N 2.97Å; L844-N855 HydrophobicContact CD1-CB 3.74Å; L844-N855 HydrophobicContact CG-CB 4.37Å; N855-G857 VanDerWaalsContact C-N 3.29Å; N855-G857 PolarHBondContact ND2-O 3.26Å; N855-G857 PolarHBondContact O-N 3.4Å; N855-G857 PolarHBondContact OD1-N 2.94Å; N855-V862 HydrophobicContact CB-CG1 4.28Å
856D67.8Low77.1Confident113 Ų11358.1 Ų58.160%0.60433%0.331SS*.  trans-78.1-8.9175.3-74.6-66.4000114.5K842K842-D856 WeakPolarHBondContact CD-OD1 3.33Å; K842-D856 IonicContact NZ-OD1 3.88Å; K842-D856 PolarHBondContact NZ-OD1 3.42Å
857G67.1Low77.3Confident30 Ų3060 Ų6031%0.30934%0.344SS..  trans-86.4121.1-18000000113N855 Q859N855-G857 VanDerWaalsContact C-N 3.29Å; N855-G857 PolarHBondContact ND2-O 3.26Å; N855-G857 PolarHBondContact O-N 3.4Å; N855-G857 PolarHBondContact OD1-N 2.94Å; G857-Q859 PolarHBondContact O-N 3.24Å
858N69.5Low77.9Confident174 Ų17466.7 Ų66.793%0.9336%0.361SS*.  trans-66.512.9171.6-72.2-4.2000114.5
859Q80.2Confident78.7Confident146 Ų14669.5 Ų69.568%0.68237%0.373SS*.  trans-82.9139.9179.3-61.2-17621.100110.3G857 K861G857-Q859 PolarHBondContact O-N 3.24Å; Q859-K861 PolarHBondContact O-N 2.84Å
860L83.2Confident79.7Confident52 Ų5269.1 Ų69.127%0.27237%0.37SS..SBendtrans-60.5-35.9173.2-71.9172000111.7V862 C872 A873 Q874 W879L860-V862 PolarHBondContact O-N 3Å; L860-C872 CarbonylContact O-C 3.59Å; L860-C872 VanDerWaalsContact O-CA 3.25Å; L860-C872 WeakPolarHBondContact O-CA 3.38Å; L860-A873 PolarHBondContact O-N 2.9Å; L860-Q874 HydrophobicContact CD2-CB 4.21Å; L860-Q874 VanDerWaalsContact CD2-CD 3.43Å; L860-Q874 HydrophobicContact CD2-CG 3.73Å; L860-W879 HydrophobicContact CB-CH2 3.83Å; L860-W879 HydrophobicContact CB-CZ3 3.76Å
861K89.2Confident80.7Confident92 Ų9264.2 Ų64.240%0.434%0.341SS..EExtended strand (participates in β ladder)trans-82.1111.2178.3-174.4179.5-174.8179.60111.5Q859 W879Q859-K861 PolarHBondContact O-N 2.84Å; K861-W879 HydrophobicContact CB-CD2 3.76Å; K861-W879 HydrophobicContact CB-CE3 3.85Å; K861-W879 HydrophobicContact CB-CG 4.46Å; K861-W879 HydrophobicContact CB-CH2 4Å; K861-W879 HydrophobicContact CB-CZ2 3.88Å; K861-W879 HydrophobicContact CB-CZ3 3.98Å; K861-W879 HydrophobicContact CD-CD2 4.15Å; K861-W879 HydrophobicContact CD-CG 4.15Å; K861-W879 HydrophobicContact CG-CD2 3.65Å; K861-W879 HydrophobicContact CG-CE3 4.14Å; K861-W879 HydrophobicContact CG-CG 3.82Å; K861-W879 HydrophobicContact CG-CZ2 4.43Å
862V88.9Confident81.5Confident5 Ų563.8 Ų63.83%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-109.8146174-173.10000109.3L844 F853 N855 L860 S870 F871 A873L844-V862 HydrophobicContact CD1-CB 4.43Å; L844-V862 HydrophobicContact CD1-CG1 4.19Å; L844-V862 HydrophobicContact CD1-CG2 3.88Å; F853-V862 HydrophobicContact CE2-CG1 3.54Å; F853-V862 HydrophobicContact CZ-CG1 3.61Å; N855-V862 HydrophobicContact CB-CG1 4.28Å; L860-V862 PolarHBondContact O-N 3Å; V862-S870 CarbonylContact O-C 3.48Å; V862-S870 WeakPolarHBondContact O-CA 3.28Å; V862-S870 WeakPolarHBondContact O-CB 3.38Å; V862-F871 HydrophobicContact CB-CE1 4.49Å; V862-F871 HydrophobicContact CB-CZ 4.41Å; V862-F871 HydrophobicContact CG1-CE1 4.33Å; V862-F871 HydrophobicContact CG1-CZ 4.23Å; V862-F871 PolarHBondContact N-O 2.99Å; V862-F871 PolarHBondContact O-N 3.48Å; V862-A873 HydrophobicContact CG2-CB 3.73Å
863T89.3Confident81.9Confident66 Ų6664.3 Ų64.341%0.40534%0.341SS..EExtended strand (participates in β ladder)trans-122.4125.4176.8-580000109.9P865 R868 S870T863-P865 WeakPolarHBondContact O-CD 3.46Å; T863-R868 WeakPolarHBondContact CG2-O 3.35Å; T863-S870 PolarHBondContact OG1-OG 3.17Å
864C82.5Confident82Confident0 Ų069.8 Ų69.80%037%0.367CS..  trans-68.2127.6-177179.70000111.4C846 F853 S866 C867 R868 K869 F871C846-C864 HydrophobicContact CB-CB 4.12Å; C846-C864 VanDerWaalsContact SG-CB 3.51Å; F853-C864 HydrophobicContact CE1-CB 4.13Å; F853-C864 HydrophobicContact CZ-CB 4.43Å; C864-S866 VanDerWaalsContact C-N 3.26Å; C864-S866 PolarHBondContact O-N 3.27Å; C864-S866 PolarHBondContact SG-N 3.11Å; C864-C867 VanDerWaalsContact CB-SG 3.55Å; C864-R868 VanDerWaalsContact O-CA 3.22Å; C864-R868 WeakPolarHBondContact O-CA 3.21Å; C864-R868 PolarHBondContact O-N 2.98Å; C864-K869 PolarHBondContact N-O 3.07Å; C864-F871 HydrophobicContact CB-CE1 4.33Å
865P79.7Confident82Confident75 Ų7568.2 Ų68.249%0.48736%0.36SS..THydrogen-bonded Turntrans-58.5-35.8176.4-26.235.2000113.6F853 T863 R868F853-P865 HydrophobicContact CB-CG 4.47Å; F853-P865 HydrophobicContact CD2-CG 4.08Å; F853-P865 HydrophobicContact CG-CG 4.14Å; T863-P865 WeakPolarHBondContact O-CD 3.46Å; P865-R868 PolarHBondContact O-NE 3.36Å
866S78.3Confident81.9Confident75 Ų7568.7 Ų68.752%0.52436%0.361SS..THydrogen-bonded Turntrans-77.9-59.9-177.1-49.80000113.2S851 C864S851-S866 WeakPolarHBondContact CB-OG 3.27Å; S851-S866 WeakPolarHBondContact OG-CB 3.25Å; S851-S866 PolarHBondContact OG-OG 2.93Å; C864-S866 VanDerWaalsContact C-N 3.26Å; C864-S866 PolarHBondContact O-N 3.27Å; C864-S866 PolarHBondContact SG-N 3.11Å
867C83.8Confident82.5Confident41 Ų4165.3 Ų65.328%0.27734%0.341SS..THydrogen-bonded Turntrans-93.5-3.7-173.873.10000114.5C846 C849 C864 K869C846-C867 VanDerWaalsContact SG-SG 3.68Å; C849-C867 HydrophobicContact CB-CB 4.14Å; C864-C867 VanDerWaalsContact CB-SG 3.55Å; C867-K869 PolarHBondContact O-N 2.84Å
868R86.9Confident83.3Confident194 Ų19467 Ų6773%0.73235%0.346SS*.  trans583.7179.6-56.1-59.7179.31211.7116.7T863 C864 P865T863-R868 WeakPolarHBondContact CG2-O 3.35Å; C864-R868 VanDerWaalsContact O-CA 3.22Å; C864-R868 WeakPolarHBondContact O-CA 3.21Å; C864-R868 PolarHBondContact O-N 2.98Å; P865-R868 PolarHBondContact O-NE 3.36Å
869K88.1Confident84.3Confident117 Ų11760.4 Ų60.451%0.50931%0.308SS..  trans-78.9147.5171.1-62.6179.1-178.3177.70111.1H848 C864 C867H848-K869 HydrophobicContact CB-CB 4.27Å; H848-K869 HydrophobicContact CB-CD 3.78Å; H848-K869 VanDerWaalsContact CD2-CB 3.49Å; H848-K869 WeakPolarHBondContact CD2-CB 3.23Å; H848-K869 VanDerWaalsContact ND1-CD 3.34Å; H848-K869 WeakPolarHBondContact ND1-CD 3.23Å; C864-K869 PolarHBondContact N-O 3.07Å; C867-K869 PolarHBondContact O-N 2.84Å
870S90.6Very high84.6Confident31 Ų3156.1 Ų56.122%0.21729%0.288CS..EExtended strand (participates in β ladder)trans-95.7151.5177-52.90000112.9H848 V862 T863 W879H848-S870 PolarHBondContact NE2-O 2.75Å; V862-S870 CarbonylContact O-C 3.48Å; V862-S870 WeakPolarHBondContact O-CA 3.28Å; V862-S870 WeakPolarHBondContact O-CB 3.38Å; T863-S870 PolarHBondContact OG1-OG 3.17Å; S870-W879 PolarHBondContact O-N 2.91Å; S870-W879 VanDerWaalsContact O-N 3.09Å
871F88.7Confident84.8Confident0 Ų058.6 Ų58.60%031%0.307CS..EExtended strand (participates in β ladder)trans-152166176.866.3-81.9000110.7L844 W845 C846 C847 F853 V862 C864 K877L844-F871 HydrophobicContact CB-CE2 4.42Å; L844-F871 HydrophobicContact CB-CZ 4.29Å; L844-F871 HydrophobicContact CD1-CE2 4.43Å; W845-F871 WeakPolarHBondContact O-CE2 3.39Å; C846-F871 HydrophobicContact CB-CE1 4.12Å; C846-F871 HydrophobicContact CB-CZ 4.47Å; C847-F871 WeakPolarHBondContact SG-CB 3.48Å; F853-F871 HydrophobicContact CE1-CE1 4.03Å; F853-F871 AromaticContact CE1-CZ 3.97Å; F853-F871 HydrophobicContact CE1-CZ 3.97Å; F853-F871 AromaticContact CZ-CE1 3.74Å; F853-F871 HydrophobicContact CZ-CE1 3.74Å; F853-F871 AromaticContact CZ-CZ 3.7Å; F853-F871 HydrophobicContact CZ-CZ 3.7Å; V862-F871 HydrophobicContact CB-CE1 4.49Å; V862-F871 HydrophobicContact CB-CZ 4.41Å; V862-F871 HydrophobicContact CG1-CE1 4.33Å; V862-F871 HydrophobicContact CG1-CZ 4.23Å; V862-F871 PolarHBondContact N-O 2.99Å; V862-F871 PolarHBondContact O-N 3.48Å; C864-F871 HydrophobicContact CB-CE1 4.33Å; F871-K877 CarbonylContact C-O 3.01Å; F871-K877 WeakPolarHBondContact CA-O 3.43Å; F871-K877 WeakPolarHBondContact CB-O 3.21Å
872C87.3Confident84.6Confident0 Ų058.5 Ų58.50%031%0.308CS..EExtended strand (participates in β ladder)trans-84.3131.6179.6-177.80000112L860 Q874 C875 K876 K877 W879 H883L860-C872 CarbonylContact O-C 3.59Å; L860-C872 VanDerWaalsContact O-CA 3.25Å; L860-C872 WeakPolarHBondContact O-CA 3.38Å; C872-Q874 VanDerWaalsContact C-N 3.3Å; C872-Q874 PolarHBondContact O-N 3.11Å; C872-C875 WeakPolarHBondContact CB-SG 3.32Å; C872-C875 VanDerWaalsContact SG-SG 3.64Å; C872-K876 WeakPolarHBondContact O-CA 3.21Å; C872-K876 PolarHBondContact O-N 2.8Å; C872-K877 PolarHBondContact N-O 2.91Å; C872-W879 HydrophobicContact CB-CE3 3.95Å; C872-W879 HydrophobicContact CB-CZ3 4.02Å; C872-H883 PolarHBondContact SG-NE2 3.41Å; C872-H883 VanDerWaalsContact SG-NE2 3.39Å
873A84.4Confident84.6Confident23 Ų2358.3 Ų58.319%0.1931%0.307CS..THydrogen-bonded Turntrans-58.1-38.5176.700000113.4L844 L860 V862L844-A873 HydrophobicContact CD1-CB 4.19Å; L860-A873 PolarHBondContact O-N 2.9Å; V862-A873 HydrophobicContact CG2-CB 3.73Å
874Q80.3Confident84.5Confident140 Ų14059.6 Ų59.665%0.65431%0.308SS*.THydrogen-bonded Turntrans-87.2-63-174.3-72.2-177.9-5.200112.3L860 C872 K876L860-Q874 HydrophobicContact CD2-CB 4.21Å; L860-Q874 VanDerWaalsContact CD2-CD 3.43Å; L860-Q874 HydrophobicContact CD2-CG 3.73Å; C872-Q874 VanDerWaalsContact C-N 3.3Å; C872-Q874 PolarHBondContact O-N 3.11Å; Q874-K876 VanDerWaalsContact C-N 3.31Å; Q874-K876 PolarHBondContact O-N 3.43Å
875C77.6Confident84.7Confident20 Ų2066.6 Ų66.614%0.13535%0.346CS..THydrogen-bonded Turntrans-82.4-5.8-176.174.50000114.2C872 K877 H883 C888C872-C875 WeakPolarHBondContact CB-SG 3.32Å; C872-C875 VanDerWaalsContact SG-SG 3.64Å; C875-K877 HydrophobicContact CB-CG 4.49Å; C875-K877 WeakPolarHBondContact O-CG 3.35Å; C875-K877 PolarHBondContact O-N 2.84Å; C875-H883 PolarHBondContact SG-NE2 3.47Å; C875-H883 VanDerWaalsContact SG-NE2 3.37Å; C875-C888 HydrophobicContact CB-CB 3.86Å
876K77.3Confident85.1Confident49 Ų4965.2 Ų65.221%0.21334%0.336CS..  trans58.37.3177.4-52.5-169.7-175.7-170.70116C847 C872 Q874 K922C847-K876 WeakPolarHBondContact CB-O 3.47Å; C872-K876 WeakPolarHBondContact O-CA 3.21Å; C872-K876 PolarHBondContact O-N 2.8Å; Q874-K876 VanDerWaalsContact C-N 3.31Å; Q874-K876 PolarHBondContact O-N 3.43Å; K876-K922 PolarHBondContact NZ-O 3.09Å
877K79.9Confident85.4Confident42 Ų4263.7 Ų63.718%0.18333%0.325CS..PPolyproline II helixtrans-76.5156.3174-55.9-165.4-171.9-172.30111.4F871 C872 C875 D913F871-K877 CarbonylContact C-O 3.01Å; F871-K877 WeakPolarHBondContact CA-O 3.43Å; F871-K877 WeakPolarHBondContact CB-O 3.21Å; C872-K877 PolarHBondContact N-O 2.91Å; C875-K877 HydrophobicContact CB-CG 4.49Å; C875-K877 WeakPolarHBondContact O-CG 3.35Å; C875-K877 PolarHBondContact O-N 2.84Å; K877-D913 IonicContact NZ-OD1 2.68Å; K877-D913 PolarHBondContact NZ-OD1 2.88Å; K877-D913 IonicContact NZ-OD2 3.66Å; K877-D913 PolarHBondContact NZ-OD2 2.68Å
878P83.6Confident85.4Confident65 Ų6562.7 Ų62.742%0.42232%0.318SS..BIsolated β-bridgetrans-48.5144.2169-29.837.4000112.8
879W89.9Confident85.1Confident35 Ų3560.2 Ų60.213%0.13332%0.315CS..PPolyproline II helixtrans-85.3118.8-178.2-170.5-83.1000111.7L860 K861 S870 C872 H883L860-W879 HydrophobicContact CB-CH2 3.83Å; L860-W879 HydrophobicContact CB-CZ3 3.76Å; K861-W879 HydrophobicContact CB-CD2 3.76Å; K861-W879 HydrophobicContact CB-CE3 3.85Å; K861-W879 HydrophobicContact CB-CG 4.46Å; K861-W879 HydrophobicContact CB-CH2 4Å; K861-W879 HydrophobicContact CB-CZ2 3.88Å; K861-W879 HydrophobicContact CB-CZ3 3.98Å; K861-W879 HydrophobicContact CD-CD2 4.15Å; K861-W879 HydrophobicContact CD-CG 4.15Å; K861-W879 HydrophobicContact CG-CD2 3.65Å; K861-W879 HydrophobicContact CG-CE3 4.14Å; K861-W879 HydrophobicContact CG-CG 3.82Å; K861-W879 HydrophobicContact CG-CZ2 4.43Å; S870-W879 PolarHBondContact O-N 2.91Å; S870-W879 VanDerWaalsContact O-N 3.09Å; C872-W879 HydrophobicContact CB-CE3 3.95Å; C872-W879 HydrophobicContact CB-CZ3 4.02Å; W879-H883 HydrophobicContact CD2-CB 4.49Å; W879-H883 HydrophobicContact CE3-CB 4.46Å; W879-H883 HydrophobicContact CH2-CB 4.12Å; W879-H883 HydrophobicContact CZ2-CB 4.16Å; W879-H883 HydrophobicContact CZ3-CB 4.27Å; W879-H883 AromaticContact CZ3-CG 3.93Å
880E87.4Confident84.8Confident57 Ų5759.9 Ų59.927%0.26632%0.315SS..  trans-108.2151.9171.4-68.5176.5-153.100110.4Q882 H883 F891 K895E880-Q882 PolarHBondContact O-N 2.87Å; E880-Q882 VanDerWaalsContact O-N 3.11Å; E880-H883 WeakPolarHBondContact O-CB 3.46Å; E880-H883 PolarHBondContact O-N 2.94Å; E880-F891 HydrophobicContact CB-CE2 4.08Å; E880-F891 HydrophobicContact CB-CZ 3.94Å; E880-F891 HydrophobicContact CG-CZ 4.27Å; E880-K895 VanDerWaalsContact CD-CE 3.5Å; E880-K895 WeakPolarHBondContact OE1-CE 3.19Å; E880-K895 IonicContact OE1-NZ 2.76Å; E880-K895 PolarHBondContact OE1-NZ 3.27Å; E880-K895 WeakPolarHBondContact OE2-CE 3.46Å; E880-K895 IonicContact OE2-NZ 2.75Å; E880-K895 PolarHBondContact OE2-NZ 3.46Å
881P86.8Confident84.5Confident103 Ų10358.6 Ų58.667%0.66931%0.306SS*.G310 helixtrans-52.8-31.8176.4-27.235.1000114H883 Q884P881-H883 PolarHBondContact O-N 3.07Å; P881-Q884 WeakPolarHBondContact O-CB 2.89Å; P881-Q884 PolarHBondContact O-N 2.96Å; P881-Q884 VanDerWaalsContact O-N 3.08Å
882Q85.4Confident83.9Confident91 Ų9160.7 Ų60.743%0.42532%0.315SS..G310 helixtrans-75.2-6.1-180-62.587.1-22.800113.8E880 Q884 V886 F891 W894E880-Q882 PolarHBondContact O-N 2.87Å; E880-Q882 VanDerWaalsContact O-N 3.11Å; Q882-Q884 VanDerWaalsContact C-N 3.34Å; Q882-V886 VanDerWaalsContact O-CG2 3.25Å; Q882-V886 WeakPolarHBondContact O-CG2 3.15Å; Q882-F891 HydrophobicContact CB-CD2 4.37Å; Q882-F891 HydrophobicContact CB-CE2 4.16Å; Q882-W894 HydrophobicContact CB-CD2 4.29Å; Q882-W894 HydrophobicContact CB-CE3 3.89Å; Q882-W894 HydrophobicContact CB-CH2 3.99Å; Q882-W894 HydrophobicContact CB-CZ2 4.37Å; Q882-W894 HydrophobicContact CB-CZ3 3.72Å; Q882-W894 HydrophobicContact CG-CE3 4.38Å; Q882-W894 HydrophobicContact CG-CH2 3.61Å; Q882-W894 HydrophobicContact CG-CZ2 3.82Å; Q882-W894 HydrophobicContact CG-CZ3 3.89Å
883H88.2Confident83.5Confident0 Ų064.1 Ų64.10%033%0.334CS..G310 helixtrans-87-6.1167.5-158.1-26.3000111.9C872 C875 W879 E880 P881 D885 F891C872-H883 PolarHBondContact SG-NE2 3.41Å; C872-H883 VanDerWaalsContact SG-NE2 3.39Å; C875-H883 PolarHBondContact SG-NE2 3.47Å; C875-H883 VanDerWaalsContact SG-NE2 3.37Å; W879-H883 HydrophobicContact CD2-CB 4.49Å; W879-H883 HydrophobicContact CE3-CB 4.46Å; W879-H883 HydrophobicContact CH2-CB 4.12Å; W879-H883 HydrophobicContact CZ2-CB 4.16Å; W879-H883 HydrophobicContact CZ3-CB 4.27Å; W879-H883 AromaticContact CZ3-CG 3.93Å; E880-H883 WeakPolarHBondContact O-CB 3.46Å; E880-H883 PolarHBondContact O-N 2.94Å; P881-H883 PolarHBondContact O-N 3.07Å; H883-D885 PolarHBondContact O-N 2.96Å; H883-F891 HydrophobicContact CB-CB 4.41Å; H883-F891 HydrophobicContact CB-CD1 4.07Å; H883-F891 HydrophobicContact CB-CD2 3.76Å; H883-F891 HydrophobicContact CB-CE1 4.27Å; H883-F891 HydrophobicContact CB-CE2 3.99Å; H883-F891 HydrophobicContact CB-CG 3.81Å; H883-F891 HydrophobicContact CB-CZ 4.24Å; H883-F891 AromaticContact CD2-CD1 3.27Å; H883-F891 WeakPolarHBondContact CD2-CD1 3.45Å; H883-F891 AromaticContact CD2-CE1 3.71Å; H883-F891 AromaticContact CD2-CG 3.73Å; H883-F891 AromaticContact CG-CD1 3.72Å; H883-F891 AromaticContact CG-CG 3.67Å; H883-F891 AromaticContact NE2-CD1 3.9Å
884Q88.1Confident83.4Confident94 Ų9467 Ų6744%0.43934%0.339SS..THydrogen-bonded Turntrans-64.3129.7176.5-167.862.654.600110.5P881 Q882 V886P881-Q884 WeakPolarHBondContact O-CB 2.89Å; P881-Q884 PolarHBondContact O-N 2.96Å; P881-Q884 VanDerWaalsContact O-N 3.08Å; Q882-Q884 VanDerWaalsContact C-N 3.34Å; Q884-V886 PolarHBondContact O-N 3.19Å
885D85.5Confident83.2Confident146 Ų14661.8 Ų61.878%0.78132%0.315SS*.THydrogen-bonded Turntrans58.214.1174.1-48.7-27.9000116.7H883H883-D885 PolarHBondContact O-N 2.96Å
886V87.9Confident82.9Confident47 Ų4765.7 Ų65.729%0.28533%0.327SS..SBendtrans-116.3155.6173.7-64.40000112.1Q882 Q884 Q890 F891Q882-V886 VanDerWaalsContact O-CG2 3.25Å; Q882-V886 WeakPolarHBondContact O-CG2 3.15Å; Q884-V886 PolarHBondContact O-N 3.19Å; V886-Q890 HydrophobicContact CB-CB 4.11Å; V886-F891 HydrophobicContact CG2-CB 4.04Å
887S86.3Confident82.7Confident42 Ų4269.5 Ų69.529%0.29435%0.345SS..  trans-67.3158.7174.990.70000111.8E889 Q890 F891S887-E889 PolarHBondContact O-N 2.84Å; S887-E889 PolarHBondContact OG-N 2.88Å; S887-Q890 PolarHBondContact O-N 3.39Å; S887-Q890 WeakPolarHBondContact OG-CG 3.36Å; S887-Q890 PolarHBondContact OG-N 2.99Å; S887-Q890 VanDerWaalsContact OG-N 3.08Å; S887-F891 PolarHBondContact O-N 3.09Å
888C83.7Confident82.5Confident20 Ų2071.5 Ų71.514%0.13536%0.358CS..Hα-helixtrans-57.5-38175.5-64.40000112.3C875 Q892C875-C888 HydrophobicContact CB-CB 3.86Å; C888-Q892 VanDerWaalsContact O-CB 3.31Å; C888-Q892 WeakPolarHBondContact O-CB 3.3Å; C888-Q892 PolarHBondContact O-N 3.42Å
889E79.9Confident81.9Confident143 Ų14370 Ų7067%0.66835%0.346SS*.Hα-helixtrans-68.4-42.7176.7-66146.6-165.300111.7S887 Q892 L893S887-E889 PolarHBondContact O-N 2.84Å; S887-E889 PolarHBondContact OG-N 2.88Å; E889-Q892 CarbonylContact O-C 3.54Å; E889-Q892 PolarHBondContact O-N 2.62Å; E889-L893 WeakPolarHBondContact O-CB 3.46Å; E889-L893 WeakPolarHBondContact O-CG 3.39Å; E889-L893 PolarHBondContact O-N 3.1Å
890Q82.6Confident81Confident109 Ų10972.6 Ų72.651%0.50937%0.368SS..Hα-helixtrans-64.3-42.8177.3-73.3167.7-17.600111.4V886 S887 Q892 L893 W894V886-Q890 HydrophobicContact CB-CB 4.11Å; S887-Q890 PolarHBondContact O-N 3.39Å; S887-Q890 WeakPolarHBondContact OG-CG 3.36Å; S887-Q890 PolarHBondContact OG-N 2.99Å; S887-Q890 VanDerWaalsContact OG-N 3.08Å; Q890-Q892 VanDerWaalsContact C-N 3.31Å; Q890-Q892 PolarHBondContact O-N 3.32Å; Q890-L893 PolarHBondContact O-N 2.65Å; Q890-W894 WeakPolarHBondContact O-CB 3.38Å; Q890-W894 PolarHBondContact O-N 3.11Å
891F83.8Confident80Confident4 Ų475 Ų752%0.01838%0.379CS..Hα-helixtrans-62.7-37.8172.9176.9-115.5000112E880 Q882 H883 V886 S887 W894 K895E880-F891 HydrophobicContact CB-CE2 4.08Å; E880-F891 HydrophobicContact CB-CZ 3.94Å; E880-F891 HydrophobicContact CG-CZ 4.27Å; Q882-F891 HydrophobicContact CB-CD2 4.37Å; Q882-F891 HydrophobicContact CB-CE2 4.16Å; H883-F891 HydrophobicContact CB-CB 4.41Å; H883-F891 HydrophobicContact CB-CD1 4.07Å; H883-F891 HydrophobicContact CB-CD2 3.76Å; H883-F891 HydrophobicContact CB-CE1 4.27Å; H883-F891 HydrophobicContact CB-CE2 3.99Å; H883-F891 HydrophobicContact CB-CG 3.81Å; H883-F891 HydrophobicContact CB-CZ 4.24Å; H883-F891 AromaticContact CD2-CD1 3.27Å; H883-F891 WeakPolarHBondContact CD2-CD1 3.45Å; H883-F891 AromaticContact CD2-CE1 3.71Å; H883-F891 AromaticContact CD2-CG 3.73Å; H883-F891 AromaticContact CG-CD1 3.72Å; H883-F891 AromaticContact CG-CG 3.67Å; H883-F891 AromaticContact NE2-CD1 3.9Å; V886-F891 HydrophobicContact CG2-CB 4.04Å; S887-F891 PolarHBondContact O-N 3.09Å; F891-W894 HydrophobicContact CD2-CE3 4.19Å; F891-W894 HydrophobicContact CE2-CE3 4.08Å; F891-W894 HydrophobicContact CE2-CZ3 4.23Å; F891-W894 PolarHBondContact O-N 3.02Å; F891-K895 HydrophobicContact CE1-CG 4.41Å; F891-K895 HydrophobicContact CE2-CG 4.31Å; F891-K895 HydrophobicContact CZ-CG 4.14Å; F891-K895 WeakPolarHBondContact O-CB 3.38Å; F891-K895 PolarHBondContact O-N 2.94Å
892Q76.1Confident79Confident44 Ų4471.6 Ų71.621%0.20635%0.353CS..Hα-helixtrans-78.2-24.5178.9-168.1168.2-1.800113.8C888 E889 Q890 R896 D913C888-Q892 VanDerWaalsContact O-CB 3.31Å; C888-Q892 WeakPolarHBondContact O-CB 3.3Å; C888-Q892 PolarHBondContact O-N 3.42Å; E889-Q892 CarbonylContact O-C 3.54Å; E889-Q892 PolarHBondContact O-N 2.62Å; Q890-Q892 VanDerWaalsContact C-N 3.31Å; Q890-Q892 PolarHBondContact O-N 3.32Å; Q892-R896 WeakPolarHBondContact O-CG 3.37Å; Q892-R896 PolarHBondContact O-N 3.31Å; Q892-R896 PolarHBondContact O-NE 3.32Å; Q892-D913 PolarHBondContact NE2-OD2 3.34Å
893L77.6Confident78Confident73 Ų7371.2 Ų71.238%0.38235%0.351SS..Hα-helixtrans-69.5-50.9164.2-79.9160.7000110.3E889 Q890 K895 R896 E897E889-L893 WeakPolarHBondContact O-CB 3.46Å; E889-L893 WeakPolarHBondContact O-CG 3.39Å; E889-L893 PolarHBondContact O-N 3.1Å; Q890-L893 PolarHBondContact O-N 2.65Å; L893-K895 VanDerWaalsContact C-N 3.3Å; L893-K895 PolarHBondContact O-N 2.68Å; L893-R896 VanDerWaalsContact CD2-NH2 3.31Å; L893-R896 WeakPolarHBondContact O-CB 3.37Å; L893-R896 PolarHBondContact O-N 3.27Å; L893-E897 PolarHBondContact O-N 3.42Å
894W82.6Confident77Confident82 Ų8278.4 Ų78.431%0.31138%0.378SS..Hα-helixtrans-54.5-45.5177.1178.878.9000111.7Q882 Q890 F891 R896 E897 N898Q882-W894 HydrophobicContact CB-CD2 4.29Å; Q882-W894 HydrophobicContact CB-CE3 3.89Å; Q882-W894 HydrophobicContact CB-CH2 3.99Å; Q882-W894 HydrophobicContact CB-CZ2 4.37Å; Q882-W894 HydrophobicContact CB-CZ3 3.72Å; Q882-W894 HydrophobicContact CG-CE3 4.38Å; Q882-W894 HydrophobicContact CG-CH2 3.61Å; Q882-W894 HydrophobicContact CG-CZ2 3.82Å; Q882-W894 HydrophobicContact CG-CZ3 3.89Å; Q890-W894 WeakPolarHBondContact O-CB 3.38Å; Q890-W894 PolarHBondContact O-N 3.11Å; F891-W894 HydrophobicContact CD2-CE3 4.19Å; F891-W894 HydrophobicContact CE2-CE3 4.08Å; F891-W894 HydrophobicContact CE2-CZ3 4.23Å; F891-W894 PolarHBondContact O-N 3.02Å; W894-R896 PolarHBondContact O-N 3.36Å; W894-E897 PolarHBondContact O-N 3.05Å; W894-N898 HydrophobicContact CD2-CB 4.29Å; W894-N898 HydrophobicContact CZ2-CB 3.94Å; W894-N898 VanDerWaalsContact NE1-CG 3.35Å; W894-N898 VanDerWaalsContact O-CB 3.26Å; W894-N898 WeakPolarHBondContact O-CB 3.43Å; W894-N898 PolarHBondContact O-N 3.29Å; W894-N898 PolarHBondContact O-ND2 2.69Å
895K77Confident75.9Confident32 Ų3277 Ų7714%0.13937%0.372CS..Hα-helixtrans-55.1-48.7172.1-85.4-62.9-156.7-1740112.9E880 F891 L893 E897 D899 Y902E880-K895 VanDerWaalsContact CD-CE 3.5Å; E880-K895 WeakPolarHBondContact OE1-CE 3.19Å; E880-K895 IonicContact OE1-NZ 2.76Å; E880-K895 PolarHBondContact OE1-NZ 3.27Å; E880-K895 WeakPolarHBondContact OE2-CE 3.46Å; E880-K895 IonicContact OE2-NZ 2.75Å; E880-K895 PolarHBondContact OE2-NZ 3.46Å; F891-K895 HydrophobicContact CE1-CG 4.41Å; F891-K895 HydrophobicContact CE2-CG 4.31Å; F891-K895 HydrophobicContact CZ-CG 4.14Å; F891-K895 WeakPolarHBondContact O-CB 3.38Å; F891-K895 PolarHBondContact O-N 2.94Å; L893-K895 VanDerWaalsContact C-N 3.3Å; L893-K895 PolarHBondContact O-N 2.68Å; K895-E897 VanDerWaalsContact C-N 3.27Å; K895-E897 PolarHBondContact O-N 2.92Å; K895-D899 HydrophobicContact CD-CB 3.85Å; K895-D899 WeakPolarHBondContact CD-OD2 3.35Å; K895-D899 IonicContact NZ-OD2 3.54Å; K895-D899 PolarHBondContact NZ-OD2 2.92Å; K895-D899 WeakPolarHBondContact O-CB 3.22Å; K895-D899 PolarHBondContact O-N 2.85Å; K895-Y902 HydrophobicContact CB-CD2 4.5Å
896R70.2Confident75.4Confident102 Ų10270.8 Ų70.839%0.38534%0.342SS..Hα-helixtrans-60-36.9178-80.3-178.2-74.1176.7-2.7112.9Q892 L893 W894 Y902 Q903Q892-R896 WeakPolarHBondContact O-CG 3.37Å; Q892-R896 PolarHBondContact O-N 3.31Å; Q892-R896 PolarHBondContact O-NE 3.32Å; L893-R896 VanDerWaalsContact CD2-NH2 3.31Å; L893-R896 WeakPolarHBondContact O-CB 3.37Å; L893-R896 PolarHBondContact O-N 3.27Å; W894-R896 PolarHBondContact O-N 3.36Å; R896-Y902 HydrophobicContact CB-CE1 4.46Å; R896-Y902 HydrophobicContact CG-CD1 4.03Å; R896-Y902 HydrophobicContact CG-CE1 3.46Å; R896-Y902 VanDerWaalsContact CG-CE1 3.46Å; R896-Y902 HydrophobicContact CG-CE2 4.49Å; R896-Q903 WeakPolarHBondContact O-CG 3.41Å; R896-Q903 PolarHBondContact O-NE2 2.98Å
897E74.9Confident74.8Confident129 Ų12969.4 Ų69.460%0.60333%0.333SS*.Hα-helixtrans-91.2-20-172.9-69.2170.9-177.300114.2L893 W894 K895 Q903L893-E897 PolarHBondContact O-N 3.42Å; W894-E897 PolarHBondContact O-N 3.05Å; K895-E897 VanDerWaalsContact C-N 3.27Å; K895-E897 PolarHBondContact O-N 2.92Å; E897-Q903 PolarHBondContact O-NE2 3.47Å
898N74.9Confident74.2Confident83 Ų8367.8 Ų67.844%0.44432%0.323SS..Hα-helixtrans-130.5-12.3-168.7-60.3-103.3000114.9W894 P900W894-N898 HydrophobicContact CD2-CB 4.29Å; W894-N898 HydrophobicContact CZ2-CB 3.94Å; W894-N898 VanDerWaalsContact NE1-CG 3.35Å; W894-N898 VanDerWaalsContact O-CB 3.26Å; W894-N898 WeakPolarHBondContact O-CB 3.43Å; W894-N898 PolarHBondContact O-N 3.29Å; W894-N898 PolarHBondContact O-ND2 2.69Å; N898-P900 WeakPolarHBondContact O-CD 3.46Å
899D70.7Confident73.6Confident34 Ų3466.9 Ų66.918%0.18232%0.317CS..  trans-91.9110.4179.3-170.9-45000110.5K895 E901 Y902 Q903K895-D899 HydrophobicContact CD-CB 3.85Å; K895-D899 WeakPolarHBondContact CD-OD2 3.35Å; K895-D899 IonicContact NZ-OD2 3.54Å; K895-D899 PolarHBondContact NZ-OD2 2.92Å; K895-D899 WeakPolarHBondContact O-CB 3.22Å; K895-D899 PolarHBondContact O-N 2.85Å; D899-E901 PolarHBondContact O-N 2.88Å; D899-E901 WeakPolarHBondContact OD1-CA 3.44Å; D899-E901 WeakPolarHBondContact OD1-CB 3.5Å; D899-E901 PolarHBondContact OD1-N 2.85Å; D899-Y902 PolarHBondContact O-N 3.06Å; D899-Y902 VanDerWaalsContact O-N 3.16Å; D899-Y902 PolarHBondContact OD1-N 3.16Å; D899-Q903 WeakPolarHBondContact O-CG 3.29Å; D899-Q903 PolarHBondContact O-N 3.47Å
900P70.7Confident73.3Confident89 Ų8961.8 Ų61.858%0.57829%0.292SS*.Hα-helixtrans-68.4-16.4-175.7-1933.4000113.7N898 R904N898-P900 WeakPolarHBondContact O-CD 3.46Å; P900-R904 WeakPolarHBondContact O-CB 3.17Å; P900-R904 PolarHBondContact O-N 3.04Å
901E67.4Low72.9Confident109 Ų10956.8 Ų56.851%0.50927%0.268SS..Hα-helixtrans-86.9-33.5175.2-175.2141.7-97.700111.4D899 R904 Q905D899-E901 PolarHBondContact O-N 2.88Å; D899-E901 WeakPolarHBondContact OD1-CA 3.44Å; D899-E901 WeakPolarHBondContact OD1-CB 3.5Å; D899-E901 PolarHBondContact OD1-N 2.85Å; E901-R904 IonicContact OE1-CZ 3.95Å; E901-R904 IonicContact OE1-NH1 2.82Å; E901-R904 PolarHBondContact OE1-NH1 2.89Å; E901-Q905 VanDerWaalsContact O-CG 3.26Å; E901-Q905 WeakPolarHBondContact O-CG 3.49Å; E901-Q905 PolarHBondContact O-N 3.1Å; E901-Q905 PolarHBondContact O-NE2 3.42Å; E901-Q905 VanDerWaalsContact O-NE2 3.14Å
902Y65.3Low72.5Confident30 Ų3060 Ų6012%0.11828%0.28CS..Hα-helixtrans-64.6-46.5168-160-67000111K895 R896 D899 R904 Q905 G906 D913K895-Y902 HydrophobicContact CB-CD2 4.5Å; R896-Y902 HydrophobicContact CB-CE1 4.46Å; R896-Y902 HydrophobicContact CG-CD1 4.03Å; R896-Y902 HydrophobicContact CG-CE1 3.46Å; R896-Y902 VanDerWaalsContact CG-CE1 3.46Å; R896-Y902 HydrophobicContact CG-CE2 4.49Å; D899-Y902 PolarHBondContact O-N 3.06Å; D899-Y902 VanDerWaalsContact O-N 3.16Å; D899-Y902 PolarHBondContact OD1-N 3.16Å; Y902-R904 VanDerWaalsContact C-N 3.33Å; Y902-R904 PolarHBondContact O-N 3.41Å; Y902-Q905 WeakPolarHBondContact O-CA 3.33Å; Y902-Q905 WeakPolarHBondContact O-CB 3.45Å; Y902-Q905 PolarHBondContact O-N 2.57Å; Y902-G906 PolarHBondContact O-N 2.97Å; Y902-D913 VanDerWaalsContact CE2-OD2 3.29Å; Y902-D913 WeakPolarHBondContact CE2-OD2 3.31Å; Y902-D913 PolarHBondContact OH-OD2 2.95Å
903Q65.4Low72.3Confident83 Ų8359.1 Ų59.139%0.38828%0.277SS..Hα-helixtrans-60.7-41.5179-72.1174.9-17.200112.1R896 E897 D899 Q905 G906R896-Q903 WeakPolarHBondContact O-CG 3.41Å; R896-Q903 PolarHBondContact O-NE2 2.98Å; E897-Q903 PolarHBondContact O-NE2 3.47Å; D899-Q903 WeakPolarHBondContact O-CG 3.29Å; D899-Q903 PolarHBondContact O-N 3.47Å; Q903-Q905 PolarHBondContact O-N 3.37Å; Q903-G906 PolarHBondContact O-N 3.27Å; Q903-G906 VanDerWaalsContact O-N 3.08Å
904R65.4Low72Confident151 Ų15157.9 Ų57.957%0.5727%0.271SS*.Hα-helixtrans-59-29.8172.8-162.4-173.2-50.6126.511.3113.1P900 E901 Y902 N1004P900-R904 WeakPolarHBondContact O-CB 3.17Å; P900-R904 PolarHBondContact O-N 3.04Å; E901-R904 IonicContact OE1-CZ 3.95Å; E901-R904 IonicContact OE1-NH1 2.82Å; E901-R904 PolarHBondContact OE1-NH1 2.89Å; Y902-R904 VanDerWaalsContact C-N 3.33Å; Y902-R904 PolarHBondContact O-N 3.41Å; R904-N1004 PolarHBondContact O-ND2 2.78Å
905Q66Low71.8Confident64 Ų6454.3 Ų54.330%0.29926%0.259SS..Hα-helixtrans-84.1-22.2176.7-66168.146.100113.5E901 Y902 Q903 L907 A908E901-Q905 VanDerWaalsContact O-CG 3.26Å; E901-Q905 WeakPolarHBondContact O-CG 3.49Å; E901-Q905 PolarHBondContact O-N 3.1Å; E901-Q905 PolarHBondContact O-NE2 3.42Å; E901-Q905 VanDerWaalsContact O-NE2 3.14Å; Y902-Q905 WeakPolarHBondContact O-CA 3.33Å; Y902-Q905 WeakPolarHBondContact O-CB 3.45Å; Y902-Q905 PolarHBondContact O-N 2.57Å; Q903-Q905 PolarHBondContact O-N 3.37Å; Q905-L907 PolarHBondContact O-N 3.32Å; Q905-A908 VanDerWaalsContact O-CB 3.3Å; Q905-A908 WeakPolarHBondContact O-CB 3.45Å; Q905-A908 PolarHBondContact O-N 2.91Å
906G74.9Confident72.1Confident16 Ų1653.1 Ų53.117%0.16525%0.254CS..THydrogen-bonded Turntrans50.9-130.1178.700000113.1Y902 Q903 A908 G909 Y910Y902-G906 PolarHBondContact O-N 2.97Å; Q903-G906 PolarHBondContact O-N 3.27Å; Q903-G906 VanDerWaalsContact O-N 3.08Å; G906-A908 PolarHBondContact O-N 3.24Å; G906-G909 PolarHBondContact O-N 3Å; G906-Y910 PolarHBondContact O-N 3.27Å
907L75.1Confident72.8Confident18 Ų1851 Ų519%0.09425%0.253CS..Hα-helixtrans-63.8-21.2178.2-67.9-179.4000114.4Q905 G909 Y910 L911 N999 A1037 L1039 Y1047Q905-L907 PolarHBondContact O-N 3.32Å; L907-G909 VanDerWaalsContact C-N 3.27Å; L907-G909 PolarHBondContact O-N 3.05Å; L907-Y910 PolarHBondContact O-N 3.02Å; L907-L911 WeakPolarHBondContact O-CG 3.3Å; L907-L911 PolarHBondContact O-N 3.44Å; L907-N999 HydrophobicContact CD1-CB 4.22Å; L907-A1037 HydrophobicContact CD1-CB 3.54Å; L907-L1039 HydrophobicContact CB-CD1 4.01Å; L907-L1039 HydrophobicContact CB-CD2 4.24Å; L907-L1039 HydrophobicContact CB-CG 4.28Å; L907-L1039 HydrophobicContact CD1-CD1 4.08Å; L907-Y1047 HydrophobicContact CD1-CD1 4.09Å; L907-Y1047 HydrophobicContact CD1-CD2 4.29Å; L907-Y1047 HydrophobicContact CD1-CE1 3.95Å; L907-Y1047 HydrophobicContact CD1-CE2 4.17Å; L907-Y1047 HydrophobicContact CD1-CG 4.25Å; L907-Y1047 HydrophobicContact CD2-CD2 3.98Å; L907-Y1047 HydrophobicContact CD2-CE2 3.57Å
908A73.4Confident73.2Confident9 Ų944.8 Ų44.87%0.07422%0.224CC..Hα-helixtrans-68.8-28.6171.800000111.9Q905 G906 R912 V1013Q905-A908 VanDerWaalsContact O-CB 3.3Å; Q905-A908 WeakPolarHBondContact O-CB 3.45Å; Q905-A908 PolarHBondContact O-N 2.91Å; G906-A908 PolarHBondContact O-N 3.24Å; A908-R912 WeakPolarHBondContact O-CB 3.38Å; A908-R912 PolarHBondContact O-N 3.23Å; A908-R912 VanDerWaalsContact O-N 3.16Å; A908-V1013 HydrophobicContact CB-CB 4.47Å; A908-V1013 HydrophobicContact CB-CG2 3.79Å
909G71.1Confident73.7Confident1 Ų142.4 Ų42.41%0.0121%0.213CC..Hα-helixtrans-67.1-44.9169.600000112G906 L907 R912 D913G906-G909 PolarHBondContact O-N 3Å; L907-G909 VanDerWaalsContact C-N 3.27Å; L907-G909 PolarHBondContact O-N 3.05Å; G909-R912 WeakPolarHBondContact O-CB 3.14Å; G909-R912 PolarHBondContact O-N 3.44Å; G909-D913 WeakPolarHBondContact O-CB 3.07Å; G909-D913 PolarHBondContact O-N 2.91Å
910Y74Confident74Confident36 Ų3645 Ų4514%0.14122%0.224CC..Hα-helixtrans-61.6-45.1176169.9-98.8000112.6G906 L907 R912 D913 N914 Y1047 S1050 D1054G906-Y910 PolarHBondContact O-N 3.27Å; L907-Y910 PolarHBondContact O-N 3.02Å; Y910-R912 VanDerWaalsContact C-N 3.33Å; Y910-R912 PolarHBondContact O-N 2.85Å; Y910-D913 WeakPolarHBondContact O-CB 3.43Å; Y910-D913 PolarHBondContact O-N 3.42Å; Y910-N914 VanDerWaalsContact CZ-ND2 3.34Å; Y910-N914 WeakPolarHBondContact O-CB 3.38Å; Y910-N914 PolarHBondContact O-N 2.72Å; Y910-N914 PolarHBondContact OH-ND2 3.19Å; Y910-Y1047 AromaticContact CD1-CD2 3.96Å; Y910-Y1047 HydrophobicContact CD1-CD2 3.96Å; Y910-Y1047 HydrophobicContact CD1-CE2 4.39Å; Y910-Y1047 AromaticContact CE1-CD2 3.76Å; Y910-Y1047 HydrophobicContact CE1-CD2 3.76Å; Y910-Y1047 HydrophobicContact CE1-CE2 4.19Å; Y910-S1050 PolarHBondContact OH-OG 2.73Å; Y910-S1050 VanDerWaalsContact OH-OG 3.1Å; Y910-D1054 PolarHBondContact OH-OD2 3.28Å
911L75.3Confident74Confident3 Ų341.8 Ų41.82%0.01620%0.203CC..Hα-helixtrans-66.2-33177.3-71.7175.1000113L907 N914 G915 T928 V1013 L1039 H1043 E1046L907-L911 WeakPolarHBondContact O-CG 3.3Å; L907-L911 PolarHBondContact O-N 3.44Å; L911-N914 CarbonylContact O-C 3.54Å; L911-G915 PolarHBondContact O-N 2.89Å; L911-T928 HydrophobicContact CB-CG2 3.69Å; L911-V1013 HydrophobicContact CD1-CG2 4.09Å; L911-L1039 HydrophobicContact CD1-CD1 3.98Å; L911-L1039 HydrophobicContact CD1-CD2 4.48Å; L911-H1043 HydrophobicContact CD1-CB 4.05Å; L911-E1046 HydrophobicContact CD2-CB 4.47Å; L911-E1046 HydrophobicContact CD2-CG 4.06Å
912R74.1Confident74.5Confident72 Ų7242.2 Ų42.227%0.27220%0.203SC..Hα-helixtrans-67.5-41173.2-171.9-152.3-56.2-80.21.2111.8A908 G909 Y910 G915 A926A908-R912 WeakPolarHBondContact O-CB 3.38Å; A908-R912 PolarHBondContact O-N 3.23Å; A908-R912 VanDerWaalsContact O-N 3.16Å; G909-R912 WeakPolarHBondContact O-CB 3.14Å; G909-R912 PolarHBondContact O-N 3.44Å; Y910-R912 VanDerWaalsContact C-N 3.33Å; Y910-R912 PolarHBondContact O-N 2.85Å; R912-G915 PolarHBondContact O-N 3.02Å; R912-A926 HydrophobicContact CG-CB 4.01Å; R912-A926 WeakPolarHBondContact CG-O 3.26Å
913D71.8Confident75Confident26 Ų2642.6 Ų42.614%0.13921%0.206CC..Hα-helixtrans-65.9-43.8176.2-94.7-9.4000112.2K877 Q892 Y902 G909 Y910 G915K877-D913 IonicContact NZ-OD1 2.68Å; K877-D913 PolarHBondContact NZ-OD1 2.88Å; K877-D913 IonicContact NZ-OD2 3.66Å; K877-D913 PolarHBondContact NZ-OD2 2.68Å; Q892-D913 PolarHBondContact NE2-OD2 3.34Å; Y902-D913 VanDerWaalsContact CE2-OD2 3.29Å; Y902-D913 WeakPolarHBondContact CE2-OD2 3.31Å; Y902-D913 PolarHBondContact OH-OD2 2.95Å; G909-D913 WeakPolarHBondContact O-CB 3.07Å; G909-D913 PolarHBondContact O-N 2.91Å; Y910-D913 WeakPolarHBondContact O-CB 3.43Å; Y910-D913 PolarHBondContact O-N 3.42Å; D913-G915 PolarHBondContact O-N 3.41Å; D913-G915 VanDerWaalsContact O-N 3.1Å
914N72.8Confident75.5Confident47 Ų4741.8 Ų41.825%0.25120%0.202SC..THydrogen-bonded Turntrans-79.424174.4-77.719.3000112.9Y910 L911 K929 S1050Y910-N914 VanDerWaalsContact CZ-ND2 3.34Å; Y910-N914 WeakPolarHBondContact O-CB 3.38Å; Y910-N914 PolarHBondContact O-N 2.72Å; Y910-N914 PolarHBondContact OH-ND2 3.19Å; L911-N914 CarbonylContact O-C 3.54Å; N914-K929 WeakPolarHBondContact O-CE 3.03Å; N914-S1050 PolarHBondContact ND2-OG 2.9Å
915G77.7Confident76Confident7 Ų735.7 Ų35.77%0.07218%0.179CC..  trans-67.4172.8-176.100000114.9L911 R912 D913 T917 L927L911-G915 PolarHBondContact O-N 2.89Å; R912-G915 PolarHBondContact O-N 3.02Å; D913-G915 PolarHBondContact O-N 3.41Å; D913-G915 VanDerWaalsContact O-N 3.1Å; G915-T917 PolarHBondContact O-N 3.47Å; G915-L927 WeakPolarHBondContact CA-O 3.22Å
916I84.1Confident76.3Confident6 Ų635.6 Ų35.63%0.03119%0.189CC..  trans-64.9124-169.9-56.1174.1000110.8Y925 L927 K929 F935 F944I916-Y925 HydrophobicContact CG2-CD2 4.49Å; I916-Y925 PolarHBondContact N-O 3.36Å; I916-Y925 WeakPolarHBondContact O-CD2 3.45Å; I916-Y925 PolarHBondContact O-N 3.17Å; I916-L927 PolarHBondContact N-O 2.94Å; I916-K929 HydrophobicContact CG1-CG 4.14Å; I916-F935 HydrophobicContact CD1-CD2 3.36Å; I916-F935 HydrophobicContact CD1-CE2 3.53Å; I916-F935 HydrophobicContact CD1-CG 3.97Å; I916-F935 HydrophobicContact CD1-CZ 4.26Å; I916-F935 HydrophobicContact CG2-CD1 4.01Å; I916-F935 HydrophobicContact CG2-CE1 4.21Å; I916-F935 HydrophobicContact CG2-CG 4.16Å; I916-F944 HydrophobicContact CG2-CE2 3.68Å; I916-F944 HydrophobicContact CG2-CZ 3.61Å
917T85Confident76.1Confident57 Ų5735.6 Ų35.635%0.3519%0.185SC..BIsolated β-bridgetrans-111.8127170.1-62.10000109.6G915G915-T917 PolarHBondContact O-N 3.47Å
918C83.3Confident76Confident0 Ų035.4 Ų35.40%019%0.185CC..  trans-68.4124.9-179.5-177.20000111.1E920 K922 F923 C937 C940 F944C918-E920 PolarHBondContact O-N 2.84Å; C918-K922 VanDerWaalsContact O-CA 3.24Å; C918-K922 WeakPolarHBondContact O-CA 3.44Å; C918-K922 PolarHBondContact O-N 2.73Å; C918-K922 VanDerWaalsContact O-N 3.08Å; C918-F923 PolarHBondContact N-O 3.04Å; C918-C937 HydrophobicContact CB-CB 4.3Å; C918-C937 VanDerWaalsContact SG-SG 3.61Å; C918-C940 VanDerWaalsContact SG-SG 3.68Å; C918-F944 HydrophobicContact CB-CE1 4.21Å; C918-F944 HydrophobicContact CB-CZ 4.12Å
919P84.3Confident76.2Confident33 Ų3336.1 Ų36.121%0.21419%0.187CC..THydrogen-bonded Turntrans-65.4-24.718024.7-33.5000113.1K922 F944 N949P919-K922 WeakPolarHBondContact O-CE 3.35Å; P919-K922 PolarHBondContact O-NZ 3.25Å; P919-F944 VanDerWaalsContact CD-CE2 3.45Å; P919-F944 HydrophobicContact CG-CB 4.11Å; P919-F944 HydrophobicContact CG-CD1 4.45Å; P919-F944 HydrophobicContact CG-CD2 3.92Å; P919-F944 HydrophobicContact CG-CE2 4.45Å; P919-F944 HydrophobicContact CG-CG 3.92Å; P919-N949 HydrophobicContact CB-CB 4.04Å; P919-N949 HydrophobicContact CG-CB 4.1Å
920E78.1Confident76Confident89 Ų8936.7 Ų36.742%0.41619%0.192SC..THydrogen-bonded Turntrans-79.4-80.5179.6-15993.412700111C918 K922 H942C918-E920 PolarHBondContact O-N 2.84Å; E920-K922 VanDerWaalsContact C-N 3.32Å; E920-K922 PolarHBondContact O-N 3.24Å; E920-H942 HydrophobicContact CB-CB 3.87Å; E920-H942 HydrophobicContact CG-CB 4.26Å; E920-H942 IonicContact OE1-CE1 3.78Å; E920-H942 IonicContact OE1-CG 2.78Å; E920-H942 IonicContact OE1-ND1 3.49Å; E920-H942 PolarHBondContact OE1-ND1 3.26Å; E920-H942 IonicContact OE2-CE1 3.7Å; E920-H942 PolarHBondContact OE2-CE1 2.6Å; E920-H942 IonicContact OE2-ND1 3.24Å; E920-H942 PolarHBondContact OE2-ND1 3.08Å
921C70.4Confident75.6Confident20 Ų2037 Ų3714%0.13521%0.206CC..THydrogen-bonded Turntrans-82.81-172.565.90000115.2F923 C937 C940C921-F923 PolarHBondContact O-N 2.8Å; C921-C937 PolarHBondContact SG-SG 3.17Å; C921-C940 HydrophobicContact CB-CB 3.98Å
922K76.9Confident75.8Confident119 Ų11941 Ų4152%0.51723%0.234SC..  trans54.922.3-178.7-40.8-55.9-177-174.40114.9K876 C918 P919 E920K876-K922 PolarHBondContact NZ-O 3.09Å; C918-K922 VanDerWaalsContact O-CA 3.24Å; C918-K922 WeakPolarHBondContact O-CA 3.44Å; C918-K922 PolarHBondContact O-N 2.73Å; C918-K922 VanDerWaalsContact O-N 3.08Å; P919-K922 WeakPolarHBondContact O-CE 3.35Å; P919-K922 PolarHBondContact O-NZ 3.25Å; E920-K922 VanDerWaalsContact C-N 3.32Å; E920-K922 PolarHBondContact O-N 3.24Å
923F75.5Confident76.5Confident38 Ų3837.8 Ų37.817%0.16722%0.222CC..  trans-74.2139.3169.4-171.3-89.3000109.8W845 C918 C921 Y925 Q939W845-F923 HydrophobicContact CB-CD2 4.02Å; W845-F923 HydrophobicContact CG-CD2 4.23Å; C918-F923 PolarHBondContact N-O 3.04Å; C921-F923 PolarHBondContact O-N 2.8Å; F923-Y925 HydrophobicContact CD1-CD1 4.38Å; F923-Y925 HydrophobicContact CD1-CD2 4.11Å; F923-Y925 AromaticContact CD1-CE1 3.97Å; F923-Y925 HydrophobicContact CD1-CE1 3.97Å; F923-Y925 AromaticContact CD1-CE2 3.66Å; F923-Y925 HydrophobicContact CD1-CE2 3.66Å; F923-Y925 HydrophobicContact CD1-CG 4.42Å; F923-Y925 AromaticContact CD1-CZ 3.56Å; F923-Y925 HydrophobicContact CE1-CD1 4.12Å; F923-Y925 AromaticContact CE1-CE1 3.86Å; F923-Y925 HydrophobicContact CE1-CE1 3.86Å; F923-Y925 HydrophobicContact CE1-CE2 4.34Å; F923-Y925 HydrophobicContact CE1-CG 4.46Å; F923-Y925 AromaticContact CE1-CZ 3.95Å; F923-Q939 HydrophobicContact CB-CB 4.44Å; F923-Q939 HydrophobicContact CB-CG 3.94Å; F923-Q939 HydrophobicContact CD1-CG 3.8Å; F923-Q939 HydrophobicContact CD2-CG 3.59Å; F923-Q939 HydrophobicContact CE1-CG 4.16Å; F923-Q939 HydrophobicContact CE2-CG 3.98Å; F923-Q939 HydrophobicContact CG-CB 4.48Å; F923-Q939 HydrophobicContact CG-CG 3.49Å; F923-Q939 VanDerWaalsContact CG-CG 3.49Å; F923-Q939 HydrophobicContact CZ-CG 4.25Å
924Q76.8Confident77.3Confident66 Ų6639.2 Ų39.231%0.30823%0.228SC..BIsolated β-bridgetrans-112.1134.5-175.3-176.4174.15.100110.2
925Y75.9Confident77.9Confident22 Ų2238.7 Ų38.79%0.08622%0.223CC..  trans-107.2132.5177.6-60.1-95.6000108.7I916 F923 L927 F935 C937 S938I916-Y925 HydrophobicContact CG2-CD2 4.49Å; I916-Y925 PolarHBondContact N-O 3.36Å; I916-Y925 WeakPolarHBondContact O-CD2 3.45Å; I916-Y925 PolarHBondContact O-N 3.17Å; F923-Y925 HydrophobicContact CD1-CD1 4.38Å; F923-Y925 HydrophobicContact CD1-CD2 4.11Å; F923-Y925 AromaticContact CD1-CE1 3.97Å; F923-Y925 HydrophobicContact CD1-CE1 3.97Å; F923-Y925 AromaticContact CD1-CE2 3.66Å; F923-Y925 HydrophobicContact CD1-CE2 3.66Å; F923-Y925 HydrophobicContact CD1-CG 4.42Å; F923-Y925 AromaticContact CD1-CZ 3.56Å; F923-Y925 HydrophobicContact CE1-CD1 4.12Å; F923-Y925 AromaticContact CE1-CE1 3.86Å; F923-Y925 HydrophobicContact CE1-CE1 3.86Å; F923-Y925 HydrophobicContact CE1-CE2 4.34Å; F923-Y925 HydrophobicContact CE1-CG 4.46Å; F923-Y925 AromaticContact CE1-CZ 3.95Å; Y925-L927 HydrophobicContact CD1-CD1 4.33Å; Y925-L927 PolarHBondContact O-N 3.43Å; Y925-F935 HydrophobicContact CD1-CE1 4.35Å; Y925-F935 AromaticContact CD1-CZ 3.91Å; Y925-F935 HydrophobicContact CD1-CZ 3.91Å; Y925-F935 AromaticContact CD2-CE1 3.8Å; Y925-F935 HydrophobicContact CD2-CE1 3.8Å; Y925-F935 AromaticContact CD2-CZ 3.96Å; Y925-F935 HydrophobicContact CD2-CZ 3.96Å; Y925-F935 HydrophobicContact CE1-CE1 4.18Å; Y925-F935 HydrophobicContact CE1-CZ 4.07Å; Y925-F935 AromaticContact CE2-CE1 3.63Å; Y925-F935 HydrophobicContact CE2-CE1 3.63Å; Y925-F935 HydrophobicContact CE2-CZ 4.14Å; Y925-F935 HydrophobicContact CG-CE1 4.19Å; Y925-F935 AromaticContact CG-CZ 3.87Å; Y925-F935 HydrophobicContact CG-CZ 3.87Å; Y925-F935 AromaticContact CZ-CE1 3.85Å; Y925-C937 WeakPolarHBondContact OH-CA 3.26Å; Y925-C937 PolarHBondContact OH-SG 3.35Å; Y925-S938 PolarHBondContact OH-N 2.9Å; Y925-S938 PolarHBondContact OH-OG 3.22Å; Y925-S938 VanDerWaalsContact OH-OG 3.09Å
926A71.1Confident78.2Confident62 Ų6240.9 Ų40.951%0.51224%0.235SC..SBendtrans-77.540.2173.600000112R912R912-A926 HydrophobicContact CG-CB 4.01Å; R912-A926 WeakPolarHBondContact CG-O 3.26Å
927L71.4Confident78Confident16 Ų1640.6 Ų40.68%0.08423%0.234CC..  trans-119.2140.7-173-63.6177.2000109.8G915 I916 Y925 F935 Q1016 D1025G915-L927 WeakPolarHBondContact CA-O 3.22Å; I916-L927 PolarHBondContact N-O 2.94Å; Y925-L927 HydrophobicContact CD1-CD1 4.33Å; Y925-L927 PolarHBondContact O-N 3.43Å; L927-F935 HydrophobicContact CD1-CE2 4.33Å; L927-F935 HydrophobicContact CD1-CZ 4.42Å; L927-Q1016 HydrophobicContact CD1-CB 4.35Å; L927-Q1016 HydrophobicContact CD2-CB 4Å; L927-D1025 WeakPolarHBondContact CD2-OD1 3.35Å
928T73.7Confident77.4Confident14 Ų1441 Ų419%0.08624%0.239CC..  trans-71.2163.517261.40000111.6L911 G930 V1013 E1046L911-T928 HydrophobicContact CB-CG2 3.69Å; T928-G930 VanDerWaalsContact C-N 3.29Å; T928-G930 PolarHBondContact O-N 3.42Å; T928-V1013 HydrophobicContact CG2-CG1 3.39Å; T928-E1046 WeakPolarHBondContact CB-OE1 3.24Å
929K76.4Confident76.7Confident25 Ų2542.8 Ų42.811%0.10925%0.247CC..  trans-73.5-25.9-177-63.1161.4-174.5160.40111.2N914 I916 M933 S946 L976 E1046N914-K929 WeakPolarHBondContact O-CE 3.03Å; I916-K929 HydrophobicContact CG1-CG 4.14Å; K929-M933 HydrophobicContact CB-CE 4.3Å; K929-M933 WeakPolarHBondContact O-CE 3.43Å; K929-S946 PolarHBondContact O-OG 2.92Å; K929-L976 HydrophobicContact CB-CD2 3.66Å; K929-L976 HydrophobicContact CD-CD2 4.1Å; K929-L976 HydrophobicContact CG-CD2 4.49Å; K929-E1046 HydrophobicContact CB-CG 4.46Å; K929-E1046 WeakPolarHBondContact CB-OE1 3.37Å; K929-E1046 PolarHBondContact N-OE1 3.4Å; K929-E1046 PolarHBondContact N-OE2 2.9Å
930G68Low76Confident13 Ų1341.3 Ų41.313%0.13424%0.238CC..  trans71.3-156.8157.200000114.8T928 M933 E1046T928-G930 VanDerWaalsContact C-N 3.29Å; T928-G930 PolarHBondContact O-N 3.42Å; G930-M933 VanDerWaalsContact O-CE 3.27Å; G930-M933 WeakPolarHBondContact O-CE 3.32Å; G930-E1046 PolarHBondContact N-OE2 2.97Å
931G64.7Low75.8Confident42 Ų4241.2 Ų41.243%0.43323%0.234SC..SBendtrans-84.9-39-175.200000114.2R980G931-R980 PolarHBondContact O-NH1 3.02Å; G931-R980 VanDerWaalsContact O-NH1 3.12Å
932C80.4Confident76.4Confident88 Ų8841.8 Ų41.860%0.59523%0.234SC*.  trans-96122.9177.8-168.90000110.1H934C932-H934 VanDerWaalsContact C-N 3.32Å
933M87.4Confident76.9Confident4 Ų438 Ų382%0.0222%0.218CC..  trans-79.9-14177.3-64.2-67.897.600113.1K929 G930 F935 C945 S946 L976 F977K929-M933 HydrophobicContact CB-CE 4.3Å; K929-M933 WeakPolarHBondContact O-CE 3.43Å; G930-M933 VanDerWaalsContact O-CE 3.27Å; G930-M933 WeakPolarHBondContact O-CE 3.32Å; M933-F935 PolarHBondContact O-N 2.91Å; M933-C945 CarbonylContact O-C 3.58Å; M933-C945 VanDerWaalsContact O-CA 3.24Å; M933-C945 WeakPolarHBondContact O-CA 3.25Å; M933-S946 PolarHBondContact O-N 3.01Å; M933-L976 HydrophobicContact CE-CD2 3.78Å; M933-L976 HydrophobicContact CE-CG 4.22Å; M933-L976 HydrophobicContact SD-CB 4.08Å; M933-L976 HydrophobicContact SD-CD2 3.86Å; M933-L976 HydrophobicContact SD-CG 3.87Å; M933-F977 HydrophobicContact CB-CD2 4.13Å; M933-F977 HydrophobicContact CG-CB 4.14Å; M933-F977 HydrophobicContact CG-CD2 4.02Å
934H88.4Confident77.7Confident56 Ų5636.2 Ų36.226%0.25921%0.21SC..EExtended strand (participates in β ladder)trans-80109175173.4-133.1000109.8C932 Q943 Y952C932-H934 VanDerWaalsContact C-N 3.32Å; H934-Q943 PolarHBondContact NE2-OE1 3.48Å; H934-Y952 HydrophobicContact CB-CD2 4.48Å; H934-Y952 HydrophobicContact CB-CE1 4.1Å; H934-Y952 HydrophobicContact CB-CE2 3.91Å; H934-Y952 AromaticContact CD2-CD1 3.99Å; H934-Y952 AromaticContact CD2-CD2 3.59Å; H934-Y952 AromaticContact CD2-CE2 3.91Å; H934-Y952 AromaticContact CD2-CG 3.64Å
935F86.3Confident78.4Confident35 Ų3533 Ų3315%0.15420%0.196CC..EExtended strand (participates in β ladder)trans-112.8134.1176.3-162.2-91.9000110.5I916 Y925 L927 M933 Q943 F944I916-F935 HydrophobicContact CD1-CD2 3.36Å; I916-F935 HydrophobicContact CD1-CE2 3.53Å; I916-F935 HydrophobicContact CD1-CG 3.97Å; I916-F935 HydrophobicContact CD1-CZ 4.26Å; I916-F935 HydrophobicContact CG2-CD1 4.01Å; I916-F935 HydrophobicContact CG2-CE1 4.21Å; I916-F935 HydrophobicContact CG2-CG 4.16Å; Y925-F935 HydrophobicContact CD1-CE1 4.35Å; Y925-F935 AromaticContact CD1-CZ 3.91Å; Y925-F935 HydrophobicContact CD1-CZ 3.91Å; Y925-F935 AromaticContact CD2-CE1 3.8Å; Y925-F935 HydrophobicContact CD2-CE1 3.8Å; Y925-F935 AromaticContact CD2-CZ 3.96Å; Y925-F935 HydrophobicContact CD2-CZ 3.96Å; Y925-F935 HydrophobicContact CE1-CE1 4.18Å; Y925-F935 HydrophobicContact CE1-CZ 4.07Å; Y925-F935 AromaticContact CE2-CE1 3.63Å; Y925-F935 HydrophobicContact CE2-CE1 3.63Å; Y925-F935 HydrophobicContact CE2-CZ 4.14Å; Y925-F935 HydrophobicContact CG-CE1 4.19Å; Y925-F935 AromaticContact CG-CZ 3.87Å; Y925-F935 HydrophobicContact CG-CZ 3.87Å; Y925-F935 AromaticContact CZ-CE1 3.85Å; L927-F935 HydrophobicContact CD1-CE2 4.33Å; L927-F935 HydrophobicContact CD1-CZ 4.42Å; M933-F935 PolarHBondContact O-N 2.91Å; F935-Q943 WeakPolarHBondContact O-CA 3.43Å; F935-F944 HydrophobicContact CB-CE1 4.36Å; F935-F944 HydrophobicContact CB-CZ 4.32Å; F935-F944 AromaticContact CD1-CE1 3.64Å; F935-F944 HydrophobicContact CD1-CE1 3.64Å; F935-F944 AromaticContact CD1-CZ 3.6Å; F935-F944 HydrophobicContact CD1-CZ 3.6Å; F935-F944 HydrophobicContact CE1-CZ 4.37Å; F935-F944 HydrophobicContact CG-CE1 4.47Å; F935-F944 HydrophobicContact CG-CZ 4.31Å; F935-F944 PolarHBondContact N-O 3.37Å; F935-F944 PolarHBondContact O-N 2.94Å
936T84Confident79.1Confident54 Ų5432.1 Ų32.133%0.33119%0.192SC..EExtended strand (participates in β ladder)trans-110.3117.3173.2-64.30000108.5S938 Q943T936-S938 PolarHBondContact O-N 2.86Å; T936-Q943 HydrophobicContact CG2-CG 4.12Å; T936-Q943 WeakPolarHBondContact OG1-CG 3.28Å
937C79.1Confident79.9Confident0 Ų029.3 Ų29.30%017%0.17CC..  trans-62.7124.9178.7-175.20000110.9C918 C921 Y925 Q939 R941 H942 F944C918-C937 HydrophobicContact CB-CB 4.3Å; C918-C937 VanDerWaalsContact SG-SG 3.61Å; C921-C937 PolarHBondContact SG-SG 3.17Å; Y925-C937 WeakPolarHBondContact OH-CA 3.26Å; Y925-C937 PolarHBondContact OH-SG 3.35Å; C937-Q939 VanDerWaalsContact C-N 3.3Å; C937-Q939 PolarHBondContact O-N 3.23Å; C937-R941 WeakPolarHBondContact O-CA 3.42Å; C937-R941 PolarHBondContact O-N 3.18Å; C937-H942 PolarHBondContact N-O 2.97Å; C937-F944 HydrophobicContact CB-CE1 4.2Å
938S73.6Confident80.9Confident65 Ų6528.6 Ų28.646%0.45517%0.166SC..THydrogen-bonded Turntrans-62.5-38.7174.861.40000112Y925 T936Y925-S938 PolarHBondContact OH-N 2.9Å; Y925-S938 PolarHBondContact OH-OG 3.22Å; Y925-S938 VanDerWaalsContact OH-OG 3.09Å; T936-S938 PolarHBondContact O-N 2.86Å
939Q68.1Low81.7Confident37 Ų3729 Ų2917%0.17317%0.168CC..THydrogen-bonded Turntrans-76.7-26.7-173.8-53.1-58.3-9.100115.6H785 F923 C937H785-Q939 PolarHBondContact CD2-O 3.42Å; H785-Q939 PolarHBondContact NE2-O 3.33Å; H785-Q939 VanDerWaalsContact NE2-O 3.12Å; F923-Q939 HydrophobicContact CB-CB 4.44Å; F923-Q939 HydrophobicContact CB-CG 3.94Å; F923-Q939 HydrophobicContact CD1-CG 3.8Å; F923-Q939 HydrophobicContact CD2-CG 3.59Å; F923-Q939 HydrophobicContact CE1-CG 4.16Å; F923-Q939 HydrophobicContact CE2-CG 3.98Å; F923-Q939 HydrophobicContact CG-CB 4.48Å; F923-Q939 HydrophobicContact CG-CG 3.49Å; F923-Q939 VanDerWaalsContact CG-CG 3.49Å; F923-Q939 HydrophobicContact CZ-CG 4.25Å; C937-Q939 VanDerWaalsContact C-N 3.3Å; C937-Q939 PolarHBondContact O-N 3.23Å
940C69Low82.4Confident3 Ų329.7 Ų29.72%0.0217%0.172CC..THydrogen-bonded Turntrans-136.5-2.4-178.672.30000115.2C918 C921 H942C918-C940 VanDerWaalsContact SG-SG 3.68Å; C921-C940 HydrophobicContact CB-CB 3.98Å; C940-H942 PolarHBondContact O-N 3.04Å; C940-H942 VanDerWaalsContact SG-CB 3.55Å
941R75.6Confident83.5Confident87 Ų8730.7 Ų30.733%0.32818%0.177SC..  trans59.45-177.8-57.5-62.9-168.366.810.3116.9H785 D788 C937 Q943H785-R941 HydrophobicContact CB-CG 3.87Å; D788-R941 IonicContact OD1-CZ 2.69Å; D788-R941 IonicContact OD1-NH1 3.28Å; D788-R941 PolarHBondContact OD1-NH1 2.88Å; D788-R941 IonicContact OD2-CZ 2.77Å; D788-R941 IonicContact OD2-NH1 3.63Å; D788-R941 PolarHBondContact OD2-NH1 3.49Å; D788-R941 IonicContact OD2-NH2 2.69Å; D788-R941 PolarHBondContact OD2-NH2 2.93Å; C937-R941 WeakPolarHBondContact O-CA 3.42Å; C937-R941 PolarHBondContact O-N 3.18Å; R941-Q943 WeakPolarHBondContact O-CG 3.36Å; R941-Q943 PolarHBondContact O-N 3.24Å
942H82.4Confident84.6Confident31 Ų3130.4 Ų30.414%0.14416%0.163CC..  trans-54.4131.7167.6-172.9102.7000110.1E920 C937 C940 F944E920-H942 HydrophobicContact CB-CB 3.87Å; E920-H942 HydrophobicContact CG-CB 4.26Å; E920-H942 IonicContact OE1-CE1 3.78Å; E920-H942 IonicContact OE1-CG 2.78Å; E920-H942 IonicContact OE1-ND1 3.49Å; E920-H942 PolarHBondContact OE1-ND1 3.26Å; E920-H942 IonicContact OE2-CE1 3.7Å; E920-H942 PolarHBondContact OE2-CE1 2.6Å; E920-H942 IonicContact OE2-ND1 3.24Å; E920-H942 PolarHBondContact OE2-ND1 3.08Å; C937-H942 PolarHBondContact N-O 2.97Å; C940-H942 PolarHBondContact O-N 3.04Å; C940-H942 VanDerWaalsContact SG-CB 3.55Å; H942-F944 AromaticContact CD2-CD1 3.78Å
943Q87.9Confident84.8Confident40 Ų4029.1 Ų29.119%0.18715%0.146CC..EExtended strand (participates in β ladder)trans-109.8119.9-176-55.7-162.7-6.900109.7H934 F935 T936 R941 P951 Y952 K954H934-Q943 PolarHBondContact NE2-OE1 3.48Å; F935-Q943 WeakPolarHBondContact O-CA 3.43Å; T936-Q943 HydrophobicContact CG2-CG 4.12Å; T936-Q943 WeakPolarHBondContact OG1-CG 3.28Å; R941-Q943 WeakPolarHBondContact O-CG 3.36Å; R941-Q943 PolarHBondContact O-N 3.24Å; Q943-P951 CarbonylContact O-C 3.47Å; Q943-P951 WeakPolarHBondContact O-CA 3.3Å; Q943-Y952 PolarHBondContact O-N 3.24Å; Q943-K954 VanDerWaalsContact OE1-CE 3.29Å
944F90.8Very high84.2Confident0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-147.6165.6-168.164.2-75.2000112.7I916 C918 P919 F935 C937 H942 N950I916-F944 HydrophobicContact CG2-CE2 3.68Å; I916-F944 HydrophobicContact CG2-CZ 3.61Å; C918-F944 HydrophobicContact CB-CE1 4.21Å; C918-F944 HydrophobicContact CB-CZ 4.12Å; P919-F944 VanDerWaalsContact CD-CE2 3.45Å; P919-F944 HydrophobicContact CG-CB 4.11Å; P919-F944 HydrophobicContact CG-CD1 4.45Å; P919-F944 HydrophobicContact CG-CD2 3.92Å; P919-F944 HydrophobicContact CG-CE2 4.45Å; P919-F944 HydrophobicContact CG-CG 3.92Å; F935-F944 HydrophobicContact CB-CE1 4.36Å; F935-F944 HydrophobicContact CB-CZ 4.32Å; F935-F944 AromaticContact CD1-CE1 3.64Å; F935-F944 HydrophobicContact CD1-CE1 3.64Å; F935-F944 AromaticContact CD1-CZ 3.6Å; F935-F944 HydrophobicContact CD1-CZ 3.6Å; F935-F944 HydrophobicContact CE1-CZ 4.37Å; F935-F944 HydrophobicContact CG-CE1 4.47Å; F935-F944 HydrophobicContact CG-CZ 4.31Å; F935-F944 PolarHBondContact N-O 3.37Å; F935-F944 PolarHBondContact O-N 2.94Å; C937-F944 HydrophobicContact CB-CE1 4.2Å; H942-F944 AromaticContact CD2-CD1 3.78Å; F944-N950 CarbonylContact C-O 3.54Å; F944-N950 VanDerWaalsContact CA-O 3.29Å; F944-N950 WeakPolarHBondContact CA-O 3.47Å
945C92.5Very high83Confident0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-78.1120.2173.3-177.40000111.4M933 G947 C948 N949 N950 Y952 H971M933-C945 CarbonylContact O-C 3.58Å; M933-C945 VanDerWaalsContact O-CA 3.24Å; M933-C945 WeakPolarHBondContact O-CA 3.25Å; C945-G947 PolarHBondContact O-N 3.19Å; C945-G947 PolarHBondContact SG-N 3.36Å; C945-G947 VanDerWaalsContact SG-N 3.45Å; C945-C948 PolarHBondContact O-N 2.96Å; C945-C948 VanDerWaalsContact SG-SG 3.65Å; C945-N949 WeakPolarHBondContact O-CA 3.18Å; C945-N949 PolarHBondContact O-N 3.37Å; C945-N950 PolarHBondContact N-O 3.3Å; C945-Y952 HydrophobicContact CB-CE2 4.25Å; C945-H971 PolarHBondContact SG-CE1 3.39Å; C945-H971 PolarHBondContact SG-ND1 3.08Å; C945-H971 VanDerWaalsContact SG-ND1 3.36Å
946S89.8Confident81.9Confident2 Ų246.3 Ų46.31%0.01423%0.227CC..THydrogen-bonded Turntrans-61.4-23.8175.658.50000113.8K929 M933K929-S946 PolarHBondContact O-OG 2.92Å; M933-S946 PolarHBondContact O-N 3.01Å
947G89.1Confident81.6Confident4 Ų445.2 Ų45.24%0.04122%0.221CC..THydrogen-bonded Turntrans-83-38.8176.500000115.3C945C945-G947 PolarHBondContact O-N 3.19Å; C945-G947 PolarHBondContact SG-N 3.36Å; C945-G947 VanDerWaalsContact SG-N 3.45Å
948C91.8Very high81.3Confident1 Ų154.1 Ų54.11%0.00726%0.26CS..THydrogen-bonded Turntrans-133.98-17174.60000116.2C945 N950 P972 C975 K1106 V1107C945-C948 PolarHBondContact O-N 2.96Å; C945-C948 VanDerWaalsContact SG-SG 3.65Å; C948-N950 PolarHBondContact O-N 3.11Å; C948-P972 HydrophobicContact CB-CG 3.87Å; C948-P972 VanDerWaalsContact SG-CD 3.52Å; C948-C975 HydrophobicContact CB-CB 3.95Å; C948-C975 VanDerWaalsContact CB-SG 3.55Å; C948-C975 VanDerWaalsContact SG-SG 3.68Å; C948-K1106 WeakPolarHBondContact O-CB 3.35Å; C948-V1107 HydrophobicContact CB-CG2 3.59Å
949N91.4Very high81.5Confident23 Ų2353.4 Ų53.412%0.12325%0.25CS..  trans55.117.6175.7-63-46.2000116.7P919 C945 K1106P919-N949 HydrophobicContact CB-CB 4.04Å; P919-N949 HydrophobicContact CG-CB 4.1Å; C945-N949 WeakPolarHBondContact O-CA 3.18Å; C945-N949 PolarHBondContact O-N 3.37Å; N949-K1106 HydrophobicContact CB-CB 4.03Å; N949-K1106 WeakPolarHBondContact CB-O 3.27Å; N949-K1106 PolarHBondContact ND2-O 2.78Å
950N90.8Very high81.5Confident38 Ų3857.8 Ų57.820%0.20328%0.282CS..PPolyproline II helixtrans-81.9144.6170.7-79-24.9000110.9F944 C945 C948 H970F944-N950 CarbonylContact C-O 3.54Å; F944-N950 VanDerWaalsContact CA-O 3.29Å; F944-N950 WeakPolarHBondContact CA-O 3.47Å; C945-N950 PolarHBondContact N-O 3.3Å; C948-N950 PolarHBondContact O-N 3.11Å; N950-H970 WeakPolarHBondContact CB-O 3.43Å; N950-H970 PolarHBondContact ND2-O 2.91Å
951P89.8Confident81.8Confident35 Ų3563.9 Ų63.923%0.22731%0.31CS..BIsolated β-bridgetrans-72.3157.5-176.131.1-36.9000112.7Q943 Y953 A969Q943-P951 CarbonylContact O-C 3.47Å; Q943-P951 WeakPolarHBondContact O-CA 3.3Å; P951-Y953 HydrophobicContact CG-CE2 4.21Å; P951-A969 VanDerWaalsContact O-CB 3.26Å; P951-A969 WeakPolarHBondContact O-CB 3.38Å
952Y89.5Confident82.1Confident36 Ų3661.3 Ų61.314%0.14131%0.305CS..EExtended strand (participates in β ladder)trans-95.6134.5168.9-85.5-97.1000111.7H934 Q943 C945 L967 H968 A969H934-Y952 HydrophobicContact CB-CD2 4.48Å; H934-Y952 HydrophobicContact CB-CE1 4.1Å; H934-Y952 HydrophobicContact CB-CE2 3.91Å; H934-Y952 AromaticContact CD2-CD1 3.99Å; H934-Y952 AromaticContact CD2-CD2 3.59Å; H934-Y952 AromaticContact CD2-CE2 3.91Å; H934-Y952 AromaticContact CD2-CG 3.64Å; Q943-Y952 PolarHBondContact O-N 3.24Å; C945-Y952 HydrophobicContact CB-CE2 4.25Å; Y952-L967 HydrophobicContact CD1-CD1 3.94Å; Y952-L967 HydrophobicContact CD1-CG 4.01Å; Y952-L967 HydrophobicContact CG-CD1 4.37Å; Y952-H968 CarbonylContact C-O 3.44Å; Y952-H968 VanDerWaalsContact CA-O 3.3Å; Y952-H968 WeakPolarHBondContact CA-O 3.3Å; Y952-H968 VanDerWaalsContact CD1-C 3.41Å; Y952-A969 HydrophobicContact CD1-CB 3.9Å; Y952-A969 HydrophobicContact CD2-CB 3.75Å; Y952-A969 HydrophobicContact CE1-CB 3.86Å; Y952-A969 HydrophobicContact CE2-CB 3.73Å; Y952-A969 HydrophobicContact CG-CB 3.84Å
953Y82.9Confident81.9Confident60 Ų6069.5 Ų69.524%0.23534%0.34CS..EExtended strand (participates in β ladder)trans-101.9138.3177.8-58.4-88.6000110.2P951 C957 L967 H968P951-Y953 HydrophobicContact CG-CE2 4.21Å; Y953-C957 HydrophobicContact CG-CB 4.21Å; Y953-L967 WeakPolarHBondContact O-CA 3.18Å; Y953-H968 PolarHBondContact N-O 3.42Å; Y953-H968 PolarHBondContact O-N 3.4Å
954K75.3Confident81.5Confident129 Ų12973.7 Ų73.756%0.56136%0.358SS*.SBendtrans-103.7-35.3-173.8-68.9-179.2-179.5175.40115.6Q943 L967Q943-K954 VanDerWaalsContact OE1-CE 3.29Å; K954-L967 HydrophobicContact CG-CD1 4.12Å
955M63.1Low80.7Confident167 Ų16779.9 Ų79.982%0.82340%0.396SS*.SBendtrans-134.1-53.4-170.9-67.3-68.8-71.900111.2
956E64.1Low80.1Confident161 Ų16181.3 Ų81.375%0.75241%0.41SS*.  trans-121127.2177.2-65-177.3173.300110.1
957C77.8Confident79.9Confident31 Ų3185.3 Ų85.321%0.20943%0.431CS..  trans-96.2125.1169.3-172.50000109.6Y953 I959 C962 H968 H970Y953-C957 HydrophobicContact CG-CB 4.21Å; C957-I959 PolarHBondContact O-N 3.08Å; C957-I959 VanDerWaalsContact O-N 3.15Å; C957-C962 HydrophobicContact CB-CB 4.2Å; C957-H968 WeakPolarHBondContact CB-NE2 3.3Å; C957-H970 PolarHBondContact SG-NE2 3.12Å
958K71.5Confident79.9Confident187 Ų18786.2 Ų86.281%0.81343%0.434SS*.  trans-77.49.1-178.1-60.5-171.8178.2-175.70113.9
959I78.2Confident79.9Confident50 Ų5086.7 Ų86.726%0.25644%0.439SS..  trans-96.1114.7179.4-61.1-171.3000109.6C957 Q961 C962 H970C957-I959 PolarHBondContact O-N 3.08Å; C957-I959 VanDerWaalsContact O-N 3.15Å; I959-Q961 VanDerWaalsContact C-N 3.31Å; I959-Q961 HydrophobicContact CG2-CG 4.19Å; I959-Q961 PolarHBondContact O-N 2.78Å; I959-Q961 VanDerWaalsContact O-N 3.15Å; I959-C962 HydrophobicContact CB-CB 4.4Å; I959-C962 WeakPolarHBondContact O-CB 3.49Å; I959-C962 PolarHBondContact O-N 3Å; I959-H970 HydrophobicContact CD1-CB 4.22Å
960P69.3Low79.8Confident128 Ų12888.5 Ų88.583%0.83145%0.446SS*.THydrogen-bonded Turntrans-59.2-30.9-169.5-28.536.4000116C962P960-C962 VanDerWaalsContact C-N 3.33Å
961Q73.8Confident79.9Confident131 Ų13187.3 Ų87.361%0.61244%0.439SS*.THydrogen-bonded Turntrans-82.4-1.217667.6-95.234.200114.8I959I959-Q961 VanDerWaalsContact C-N 3.31Å; I959-Q961 HydrophobicContact CG2-CG 4.19Å; I959-Q961 PolarHBondContact O-N 2.78Å; I959-Q961 VanDerWaalsContact O-N 3.15Å
962C81.8Confident80.1Confident33 Ų3386.4 Ų86.422%0.22343%0.434CS..  trans-80.2132.5177.6-164.10000111.8C957 I959 P960 H968C957-C962 HydrophobicContact CB-CB 4.2Å; I959-C962 HydrophobicContact CB-CB 4.4Å; I959-C962 WeakPolarHBondContact O-CB 3.49Å; I959-C962 PolarHBondContact O-N 3Å; P960-C962 VanDerWaalsContact C-N 3.33Å; C962-H968 PolarHBondContact SG-NE2 2.88Å
963K78.4Confident80.4Confident203 Ų20385 Ų8588%0.88343%0.428SS*.  trans-11610.4177-60-179.1-177.5175.30113.1
964F79.4Confident80.9Confident129 Ų12982.1 Ų82.157%0.56642%0.417SS*.  trans-96.7128.7-173.5-163.5-92.7000111.5H968F964-H968 HydrophobicContact CD1-CB 3.7Å; F964-H968 AromaticContact CD1-CG 3.7Å; F964-H968 AromaticContact CD1-ND1 3.54Å; F964-H968 HydrophobicContact CE1-CB 3.99Å; F964-H968 PolarHBondContact O-CE1 3.33Å; F964-H968 VanDerWaalsContact O-CE1 3.29Å
965T73.8Confident81.8Confident130 Ų13076 Ų7680%0.79839%0.39SS*.  trans-107.13.6-169.550.80000114.5
966G80.7Confident83.2Confident29 Ų2968.4 Ų68.430%0.29935%0.353SS..SBendtrans-108-173.8174.700000113.3H968G966-H968 PolarHBondContact O-N 2.97Å; G966-H968 PolarHBondContact O-ND1 2.95Å
967L85.4Confident84.6Confident86 Ų8663.4 Ų63.445%0.4533%0.329SS..SBendtrans-61.4115.3175.618065.7000111.3Y952 Y953 K954Y952-L967 HydrophobicContact CD1-CD1 3.94Å; Y952-L967 HydrophobicContact CD1-CG 4.01Å; Y952-L967 HydrophobicContact CG-CD1 4.37Å; Y953-L967 WeakPolarHBondContact O-CA 3.18Å; K954-L967 HydrophobicContact CG-CD1 4.12Å
968H90Very high85.3Confident23 Ų2364.3 Ų64.311%0.10633%0.328CS..EExtended strand (participates in β ladder)trans-151.9162.5-179.568.2-74.9000113.1Y952 Y953 C957 C962 F964 G966 H970Y952-H968 CarbonylContact C-O 3.44Å; Y952-H968 VanDerWaalsContact CA-O 3.3Å; Y952-H968 WeakPolarHBondContact CA-O 3.3Å; Y952-H968 VanDerWaalsContact CD1-C 3.41Å; Y953-H968 PolarHBondContact N-O 3.42Å; Y953-H968 PolarHBondContact O-N 3.4Å; C957-H968 WeakPolarHBondContact CB-NE2 3.3Å; C962-H968 PolarHBondContact SG-NE2 2.88Å; F964-H968 HydrophobicContact CD1-CB 3.7Å; F964-H968 AromaticContact CD1-CG 3.7Å; F964-H968 AromaticContact CD1-ND1 3.54Å; F964-H968 HydrophobicContact CE1-CB 3.99Å; F964-H968 PolarHBondContact O-CE1 3.33Å; F964-H968 VanDerWaalsContact O-CE1 3.29Å; G966-H968 PolarHBondContact O-N 2.97Å; G966-H968 PolarHBondContact O-ND1 2.95Å; H968-H970 AromaticContact CD2-CD2 3.94Å; H968-H970 AromaticContact CD2-NE2 3.59Å; H968-H970 AromaticContact NE2-NE2 3.48Å; H968-H970 PolarHBondContact NE2-NE2 3.44Å
969A90.6Very high86.4Confident12 Ų1255.4 Ų55.410%0.09929%0.29CS..EExtended strand (participates in β ladder)trans-130.5158.9168.600000109.7P951 Y952 H971P951-A969 VanDerWaalsContact O-CB 3.26Å; P951-A969 WeakPolarHBondContact O-CB 3.38Å; Y952-A969 HydrophobicContact CD1-CB 3.9Å; Y952-A969 HydrophobicContact CD2-CB 3.75Å; Y952-A969 HydrophobicContact CE1-CB 3.86Å; Y952-A969 HydrophobicContact CE2-CB 3.73Å; Y952-A969 HydrophobicContact CG-CB 3.84Å; A969-H971 PolarHBondContact O-CD2 3.37Å
970H90.4Very high87Confident60 Ų6056.9 Ų56.928%0.27829%0.292SS..  trans-96.9117.3175.3-72-98.6000109.9N950 C957 I959 H968N950-H970 WeakPolarHBondContact CB-O 3.43Å; N950-H970 PolarHBondContact ND2-O 2.91Å; C957-H970 PolarHBondContact SG-NE2 3.12Å; I959-H970 HydrophobicContact CD1-CB 4.22Å; H968-H970 AromaticContact CD2-CD2 3.94Å; H968-H970 AromaticContact CD2-NE2 3.59Å; H968-H970 AromaticContact NE2-NE2 3.48Å; H968-H970 PolarHBondContact NE2-NE2 3.44Å
971H92.1Very high88.1Confident13 Ų1355.7 Ų55.76%0.0628%0.278CS..  trans-105.1135-175.1-54.4-72.2000111.2C945 A969 C975 F977 Y978 Y1075C945-H971 PolarHBondContact SG-CE1 3.39Å; C945-H971 PolarHBondContact SG-ND1 3.08Å; C945-H971 VanDerWaalsContact SG-ND1 3.36Å; A969-H971 PolarHBondContact O-CD2 3.37Å; H971-C975 HydrophobicContact CB-CB 4.08Å; H971-F977 HydrophobicContact CB-CB 4.31Å; H971-F977 HydrophobicContact CB-CD1 4.2Å; H971-F977 HydrophobicContact CB-CG 4.45Å; H971-F977 AromaticContact CD2-CD1 3.38Å; H971-F977 WeakPolarHBondContact CD2-CD1 3.26Å; H971-F977 AromaticContact CD2-CD2 3.84Å; H971-F977 AromaticContact CD2-CE1 3.7Å; H971-F977 AromaticContact CD2-CG 3.47Å; H971-F977 VanDerWaalsContact CD2-CG 3.47Å; H971-F977 WeakPolarHBondContact CD2-CG 3.4Å; H971-F977 AromaticContact CE1-CD2 3.95Å; H971-F977 AromaticContact CE1-CG 3.97Å; H971-F977 AromaticContact CG-CD1 3.82Å; H971-F977 AromaticContact CG-CG 3.76Å; H971-F977 AromaticContact NE2-CD1 3.98Å; H971-F977 AromaticContact NE2-CD2 3.52Å; H971-F977 AromaticContact NE2-CE2 3.77Å; H971-F977 AromaticContact NE2-CG 3.63Å; H971-Y978 HydrophobicContact CB-CD2 4.35Å; H971-Y978 HydrophobicContact CB-CE2 3.67Å; H971-Y1075 WeakPolarHBondContact O-CE1 3.47Å; H971-Y1075 PolarHBondContact O-OH 3.46Å
972P94.3Very high89Confident17 Ų1750.5 Ų50.511%0.1125%0.253CS..  trans-74.316516935.5-36.9000110.6C948 D974 C975 Y978 V1107C948-P972 HydrophobicContact CB-CG 3.87Å; C948-P972 VanDerWaalsContact SG-CD 3.52Å; P972-D974 VanDerWaalsContact C-N 3.29Å; P972-D974 WeakPolarHBondContact CB-OD1 3.35Å; P972-D974 PolarHBondContact O-N 3.04Å; P972-C975 HydrophobicContact CG-CB 4.13Å; P972-C975 WeakPolarHBondContact O-CB 3.36Å; P972-C975 PolarHBondContact O-N 2.78Å; P972-C975 VanDerWaalsContact O-N 3.12Å; P972-Y978 WeakPolarHBondContact O-CD2 3.35Å; P972-V1107 HydrophobicContact CG-CG2 4.01Å
973R95Very high89.6Confident5 Ų553.5 Ų53.52%0.01927%0.267CS..THydrogen-bonded Turntrans-68.2-24-169.362.9178.9175.8-84.82.9115.1D1058 P1059 Y1075 L1098 V1101 L1103R973-D1058 IonicContact CZ-OD1 2.68Å; R973-D1058 IonicContact CZ-OD2 3.39Å; R973-D1058 IonicContact NE-OD1 3.42Å; R973-D1058 PolarHBondContact NE-OD1 2.72Å; R973-D1058 IonicContact NE-OD2 3.87Å; R973-D1058 PolarHBondContact NE-OD2 2.97Å; R973-D1058 IonicContact NH2-OD1 3.4Å; R973-D1058 IonicContact NH2-OD2 3.99Å; R973-D1058 PolarHBondContact NH2-OD2 3.46Å; R973-P1059 HydrophobicContact CG-CG 4.34Å; R973-P1059 WeakPolarHBondContact O-CG 3.42Å; R973-Y1075 HydrophobicContact CB-CE2 4.14Å; R973-Y1075 PolarHBondContact N-OH 3.27Å; R973-L1098 PolarHBondContact NH1-O 3.23Å; R973-L1098 PolarHBondContact NH2-O 3.31Å; R973-V1101 VanDerWaalsContact CZ-O 3.31Å; R973-V1101 PolarHBondContact NH1-O 2.96Å; R973-V1101 PolarHBondContact NH2-O 3.11Å; R973-L1103 HydrophobicContact CG-CD2 3.87Å
974D94.6Very high90.2Very high0 Ų044 Ų440%023%0.227CC..THydrogen-bonded Turntrans-86.8-1.8175.757.5-42.1000114P972 L979 N1053 L1103 G1104 R1109P972-D974 VanDerWaalsContact C-N 3.29Å; P972-D974 WeakPolarHBondContact CB-OD1 3.35Å; P972-D974 PolarHBondContact O-N 3.04Å; D974-L979 WeakPolarHBondContact O-CD1 3.35Å; D974-N1053 PolarHBondContact O-ND2 3.39Å; D974-N1053 PolarHBondContact O-OD1 2.84Å; D974-N1053 PolarHBondContact OD2-OD1 2.89Å; D974-L1103 HydrophobicContact CB-CD2 4.1Å; D974-G1104 PolarHBondContact OD1-N 2.73Å; D974-G1104 PolarHBondContact OD2-N 3.35Å; D974-R1109 IonicContact OD2-CZ 3.62Å; D974-R1109 IonicContact OD2-NH1 2.58Å; D974-R1109 PolarHBondContact OD2-NH1 2.9Å; D974-R1109 IonicContact OD2-NH2 3.48Å; D974-R1109 PolarHBondContact OD2-NH2 3.22Å
975C94.1Very high90.9Very high0 Ų043.8 Ų43.80%023%0.231CC..SBendtrans-67.1138.5178.2-174.90000112.2C948 H971 P972 F977 Y978 L979C948-C975 HydrophobicContact CB-CB 3.95Å; C948-C975 VanDerWaalsContact CB-SG 3.55Å; C948-C975 VanDerWaalsContact SG-SG 3.68Å; H971-C975 HydrophobicContact CB-CB 4.08Å; P972-C975 HydrophobicContact CG-CB 4.13Å; P972-C975 WeakPolarHBondContact O-CB 3.36Å; P972-C975 PolarHBondContact O-N 2.78Å; P972-C975 VanDerWaalsContact O-N 3.12Å; C975-F977 HydrophobicContact CB-CB 4.39Å; C975-F977 PolarHBondContact O-N 3.25Å; C975-F977 VanDerWaalsContact SG-CB 3.56Å; C975-F977 PolarHBondContact SG-N 3.11Å; C975-Y978 PolarHBondContact O-N 2.74Å; C975-L979 PolarHBondContact O-N 3.15Å
976L92.5Very high91.9Very high8 Ų840.7 Ų40.74%0.04221%0.205CC..Hα-helixtrans-49.3-28.7169-178.462.5000113.5K929 M933 Y978 L979 R980 E1046 V1049K929-L976 HydrophobicContact CB-CD2 3.66Å; K929-L976 HydrophobicContact CD-CD2 4.1Å; K929-L976 HydrophobicContact CG-CD2 4.49Å; M933-L976 HydrophobicContact CE-CD2 3.78Å; M933-L976 HydrophobicContact CE-CG 4.22Å; M933-L976 HydrophobicContact SD-CB 4.08Å; M933-L976 HydrophobicContact SD-CD2 3.86Å; M933-L976 HydrophobicContact SD-CG 3.87Å; L976-Y978 PolarHBondContact O-N 3.45Å; L976-L979 PolarHBondContact O-N 3.06Å; L976-R980 HydrophobicContact CD1-CB 3.98Å; L976-R980 WeakPolarHBondContact O-CB 3.46Å; L976-R980 VanDerWaalsContact O-CD 3.26Å; L976-R980 WeakPolarHBondContact O-CD 3.36Å; L976-R980 WeakPolarHBondContact O-CG 3.36Å; L976-R980 PolarHBondContact O-N 2.84Å; L976-E1046 HydrophobicContact CD2-CG 3.95Å; L976-V1049 HydrophobicContact CB-CG1 3.93Å; L976-V1049 HydrophobicContact CD1-CB 3.9Å; L976-V1049 HydrophobicContact CD1-CG1 3.79Å; L976-V1049 HydrophobicContact CD1-CG2 4.1Å; L976-V1049 HydrophobicContact CG-CG1 4.45Å
977F93Very high92.6Very high57 Ų5739.3 Ų39.325%0.2519%0.191CC..Hα-helixtrans-53.2-37.9173.6179.7-91.3000113.5M933 H971 C975 R980M933-F977 HydrophobicContact CB-CD2 4.13Å; M933-F977 HydrophobicContact CG-CB 4.14Å; M933-F977 HydrophobicContact CG-CD2 4.02Å; H971-F977 HydrophobicContact CB-CB 4.31Å; H971-F977 HydrophobicContact CB-CD1 4.2Å; H971-F977 HydrophobicContact CB-CG 4.45Å; H971-F977 AromaticContact CD2-CD1 3.38Å; H971-F977 WeakPolarHBondContact CD2-CD1 3.26Å; H971-F977 AromaticContact CD2-CD2 3.84Å; H971-F977 AromaticContact CD2-CE1 3.7Å; H971-F977 AromaticContact CD2-CG 3.47Å; H971-F977 VanDerWaalsContact CD2-CG 3.47Å; H971-F977 WeakPolarHBondContact CD2-CG 3.4Å; H971-F977 AromaticContact CE1-CD2 3.95Å; H971-F977 AromaticContact CE1-CG 3.97Å; H971-F977 AromaticContact CG-CD1 3.82Å; H971-F977 AromaticContact CG-CG 3.76Å; H971-F977 AromaticContact NE2-CD1 3.98Å; H971-F977 AromaticContact NE2-CD2 3.52Å; H971-F977 AromaticContact NE2-CE2 3.77Å; H971-F977 AromaticContact NE2-CG 3.63Å; C975-F977 HydrophobicContact CB-CB 4.39Å; C975-F977 PolarHBondContact O-N 3.25Å; C975-F977 VanDerWaalsContact SG-CB 3.56Å; C975-F977 PolarHBondContact SG-N 3.11Å; F977-R980 PolarHBondContact O-NE 2.98Å
978Y93.2Very high93Very high49 Ų4936.6 Ų36.619%0.19218%0.176CC..Hα-helixtrans-95.8-43.7174-60.4-57.3000111.9H971 P972 C975 L976 R980 D981 R1074 Y1075H971-Y978 HydrophobicContact CB-CD2 4.35Å; H971-Y978 HydrophobicContact CB-CE2 3.67Å; P972-Y978 WeakPolarHBondContact O-CD2 3.35Å; C975-Y978 PolarHBondContact O-N 2.74Å; L976-Y978 PolarHBondContact O-N 3.45Å; Y978-R980 VanDerWaalsContact C-N 3.26Å; Y978-R980 PolarHBondContact O-N 3.45Å; Y978-D981 WeakPolarHBondContact O-CB 3.44Å; Y978-D981 PolarHBondContact O-N 3.26Å; Y978-R1074 VanDerWaalsContact CE1-NH1 3.31Å; Y978-R1074 WeakPolarHBondContact OH-CD 3.44Å; Y978-R1074 PolarHBondContact OH-NH1 3.35Å; Y978-Y1075 WeakPolarHBondContact CE2-OH 3.18Å
979L93.5Very high93.3Very high1 Ų137.3 Ų37.31%0.00519%0.186CC..Hα-helixtrans-70.9-16.8-172.7-63.7-175.3000114.2D974 C975 L976 D981 W982 L987 V1049 I1052 P1059D974-L979 WeakPolarHBondContact O-CD1 3.35Å; C975-L979 PolarHBondContact O-N 3.15Å; L976-L979 PolarHBondContact O-N 3.06Å; L979-D981 PolarHBondContact O-N 2.9Å; L979-W982 HydrophobicContact CD2-CD2 4.07Å; L979-W982 HydrophobicContact CD2-CE3 4.2Å; L979-W982 PolarHBondContact O-N 3.14Å; L979-L987 HydrophobicContact CB-CD2 4.14Å; L979-L987 HydrophobicContact CD2-CD2 4.48Å; L979-V1049 HydrophobicContact CB-CG1 4.22Å; L979-V1049 HydrophobicContact CB-CG2 3.5Å; L979-V1049 VanDerWaalsContact CB-CG2 3.5Å; L979-V1049 HydrophobicContact CD1-CG1 4.2Å; L979-V1049 HydrophobicContact CD1-CG2 4.22Å; L979-I1052 HydrophobicContact CD1-CG2 3.98Å; L979-P1059 HydrophobicContact CD2-CB 3.82Å; L979-P1059 HydrophobicContact CD2-CG 4.08Å
980R91.1Very high93.5Very high81 Ų8136.8 Ų36.831%0.30618%0.181SC..THydrogen-bonded Turntrans-65.8-25.1168.572.2-164.7175.2139.214.4113.1G931 L976 F977 Y978 W982 R1045G931-R980 PolarHBondContact O-NH1 3.02Å; G931-R980 VanDerWaalsContact O-NH1 3.12Å; L976-R980 HydrophobicContact CD1-CB 3.98Å; L976-R980 WeakPolarHBondContact O-CB 3.46Å; L976-R980 VanDerWaalsContact O-CD 3.26Å; L976-R980 WeakPolarHBondContact O-CD 3.36Å; L976-R980 WeakPolarHBondContact O-CG 3.36Å; L976-R980 PolarHBondContact O-N 2.84Å; F977-R980 PolarHBondContact O-NE 2.98Å; Y978-R980 VanDerWaalsContact C-N 3.26Å; Y978-R980 PolarHBondContact O-N 3.45Å; R980-W982 VanDerWaalsContact C-N 3.31Å; R980-R1045 WeakPolarHBondContact O-CD 3.49Å; R980-R1045 PolarHBondContact O-NH1 2.91Å
981D92Very high93.6Very high102 Ų10233.9 Ų33.955%0.54517%0.168SC..THydrogen-bonded Turntrans-81.5-16.2-178.7-55.9-24.1000111Y978 L979Y978-D981 WeakPolarHBondContact O-CB 3.44Å; Y978-D981 PolarHBondContact O-N 3.26Å; L979-D981 PolarHBondContact O-N 2.9Å
982W94Very high93.7Very high22 Ų2239.3 Ų39.38%0.08319%0.193CC..SBendtrans-75.3143.4171.5-79.919.8000112.5L979 R980 R986 L987 R1045 P1059 L1062 Y1063L979-W982 HydrophobicContact CD2-CD2 4.07Å; L979-W982 HydrophobicContact CD2-CE3 4.2Å; L979-W982 PolarHBondContact O-N 3.14Å; R980-W982 VanDerWaalsContact C-N 3.31Å; W982-R986 HydrophobicContact CD2-CG 4.16Å; W982-R986 VanDerWaalsContact CE2-NH1 3.34Å; W982-R986 HydrophobicContact CE3-CB 4.23Å; W982-R986 HydrophobicContact CE3-CG 3.69Å; W982-R986 HydrophobicContact CH2-CG 4.48Å; W982-R986 HydrophobicContact CZ3-CG 3.89Å; W982-L987 HydrophobicContact CB-CD1 4.45Å; W982-L987 HydrophobicContact CB-CD2 4.04Å; W982-L987 HydrophobicContact CB-CG 4.02Å; W982-L987 HydrophobicContact CD2-CD2 4.49Å; W982-L987 HydrophobicContact CE3-CD2 3.87Å; W982-L987 HydrophobicContact CE3-CG 4.44Å; W982-R1045 WeakPolarHBondContact O-CD 3.24Å; W982-R1045 PolarHBondContact O-NE 3.35Å; W982-R1045 PolarHBondContact O-NH1 3.38Å; W982-P1059 HydrophobicContact CH2-CB 3.79Å; W982-P1059 HydrophobicContact CZ2-CB 4.34Å; W982-P1059 HydrophobicContact CZ3-CB 4.18Å; W982-L1062 HydrophobicContact CH2-CB 4.06Å; W982-L1062 HydrophobicContact CZ3-CD1 4.38Å; W982-Y1063 HydrophobicContact CH2-CD1 4.13Å; W982-Y1063 HydrophobicContact CH2-CE1 4.06Å; W982-Y1063 AromaticContact CZ2-CD1 3.7Å; W982-Y1063 HydrophobicContact CZ2-CD1 3.7Å; W982-Y1063 AromaticContact CZ2-CE1 3.51Å; W982-Y1063 HydrophobicContact CZ2-CE1 3.51Å
983D92.7Very high93.7Very high96 Ų9646.1 Ų46.151%0.51322%0.217SC..  trans-69.6151.6173.6-63.8-51.6000113D985 R986 L987 R1045D983-D985 VanDerWaalsContact C-N 3.28Å; D983-D985 PolarHBondContact O-N 3.19Å; D983-R986 WeakPolarHBondContact O-CB 3.45Å; D983-R986 PolarHBondContact O-N 3.41Å; D983-L987 PolarHBondContact O-N 3.39Å; D983-L987 VanDerWaalsContact O-N 3.14Å; D983-R1045 IonicContact OD1-CZ 3.52Å; D983-R1045 IonicContact OD1-NH1 3.45Å; D983-R1045 IonicContact OD1-NH2 3.1Å; D983-R1045 PolarHBondContact OD1-NH2 2.66Å
984A92.3Very high93.4Very high5 Ų549 Ų494%0.04124%0.237CC..Hα-helixtrans-56.2-43.6-174.600000111.5R986 L987 Q988 M1041 Y1044 L1048A984-R986 VanDerWaalsContact C-N 3.25Å; A984-R986 PolarHBondContact O-N 2.88Å; A984-L987 WeakPolarHBondContact O-CB 3.46Å; A984-L987 PolarHBondContact O-N 3.47Å; A984-L987 VanDerWaalsContact O-N 3.13Å; A984-Q988 WeakPolarHBondContact O-CB 3.09Å; A984-Q988 VanDerWaalsContact O-CG 3.3Å; A984-Q988 WeakPolarHBondContact O-CG 3.14Å; A984-Q988 PolarHBondContact O-N 2.93Å; A984-M1041 HydrophobicContact CB-CE 4.16Å; A984-M1041 HydrophobicContact CB-SD 3.94Å; A984-Y1044 HydrophobicContact CB-CD1 4.15Å; A984-Y1044 HydrophobicContact CB-CE1 4.15Å; A984-L1048 HydrophobicContact CB-CD1 4.3Å
985D93.3Very high93.2Very high123 Ų12352.3 Ų52.366%0.65827%0.272SS*.Hα-helixtrans-59.9-34.7179-46.3-27.3000112.1D983 A989D983-D985 VanDerWaalsContact C-N 3.28Å; D983-D985 PolarHBondContact O-N 3.19Å; D985-A989 VanDerWaalsContact O-CB 3.3Å; D985-A989 WeakPolarHBondContact O-CB 3.03Å; D985-A989 PolarHBondContact O-N 3.26Å
986R95.3Very high93.1Very high66 Ų6653 Ų5325%0.24928%0.276CS..Hα-helixtrans-74.1-36.6177.6-163.9180-175.8-167.11111.9W982 D983 A984 L990 L1062 E1067W982-R986 HydrophobicContact CD2-CG 4.16Å; W982-R986 VanDerWaalsContact CE2-NH1 3.34Å; W982-R986 HydrophobicContact CE3-CB 4.23Å; W982-R986 HydrophobicContact CE3-CG 3.69Å; W982-R986 HydrophobicContact CH2-CG 4.48Å; W982-R986 HydrophobicContact CZ3-CG 3.89Å; D983-R986 WeakPolarHBondContact O-CB 3.45Å; D983-R986 PolarHBondContact O-N 3.41Å; A984-R986 VanDerWaalsContact C-N 3.25Å; A984-R986 PolarHBondContact O-N 2.88Å; R986-L990 PolarHBondContact O-N 2.74Å; R986-L1062 PolarHBondContact NH2-O 3.39Å; R986-E1067 IonicContact CZ-OE1 3.2Å; R986-E1067 IonicContact CZ-OE2 3.6Å; R986-E1067 IonicContact NH1-OE1 3.87Å; R986-E1067 PolarHBondContact NH1-OE1 3.26Å; R986-E1067 IonicContact NH1-OE2 3.63Å; R986-E1067 IonicContact NH2-OE1 2.7Å; R986-E1067 PolarHBondContact NH2-OE1 2.99Å; R986-E1067 IonicContact NH2-OE2 2.67Å; R986-E1067 PolarHBondContact NH2-OE2 3.42Å
987L95.2Very high92.9Very high0 Ų056.9 Ų56.90%031%0.309CS..Hα-helixtrans-69-41.5172.7-64.4167.5000111.3L979 W982 D983 A984 L990 L991 R1045 L1048 V1049 I1052L979-L987 HydrophobicContact CB-CD2 4.14Å; L979-L987 HydrophobicContact CD2-CD2 4.48Å; W982-L987 HydrophobicContact CB-CD1 4.45Å; W982-L987 HydrophobicContact CB-CD2 4.04Å; W982-L987 HydrophobicContact CB-CG 4.02Å; W982-L987 HydrophobicContact CD2-CD2 4.49Å; W982-L987 HydrophobicContact CE3-CD2 3.87Å; W982-L987 HydrophobicContact CE3-CG 4.44Å; D983-L987 PolarHBondContact O-N 3.39Å; D983-L987 VanDerWaalsContact O-N 3.14Å; A984-L987 WeakPolarHBondContact O-CB 3.46Å; A984-L987 PolarHBondContact O-N 3.47Å; A984-L987 VanDerWaalsContact O-N 3.13Å; L987-L990 WeakPolarHBondContact O-CB 3.42Å; L987-L990 PolarHBondContact O-N 3.03Å; L987-L991 PolarHBondContact O-N 3.29Å; L987-R1045 HydrophobicContact CD1-CB 4.12Å; L987-R1045 HydrophobicContact CD1-CG 4Å; L987-L1048 HydrophobicContact CB-CB 4.14Å; L987-L1048 HydrophobicContact CB-CD1 3.9Å; L987-L1048 HydrophobicContact CD1-CB 4.43Å; L987-L1048 HydrophobicContact CD1-CD1 4.4Å; L987-V1049 HydrophobicContact CD1-CG2 4.18Å; L987-V1049 HydrophobicContact CD2-CG2 3.94Å; L987-I1052 HydrophobicContact CB-CD1 4.13Å; L987-I1052 HydrophobicContact CD2-CD1 3.61Å; L987-I1052 HydrophobicContact CG-CD1 4.48Å
988Q94.6Very high92.8Very high28 Ų2856 Ų5613%0.13131%0.305CS..Hα-helixtrans-62.8-42.9173.4-71.9179.7-1.200111.5A984 L990 L991 Q992 F998 Y1044 L1048A984-Q988 WeakPolarHBondContact O-CB 3.09Å; A984-Q988 VanDerWaalsContact O-CG 3.3Å; A984-Q988 WeakPolarHBondContact O-CG 3.14Å; A984-Q988 PolarHBondContact O-N 2.93Å; Q988-L990 VanDerWaalsContact C-N 3.26Å; Q988-L990 PolarHBondContact O-N 2.98Å; Q988-L991 PolarHBondContact O-N 2.91Å; Q988-L991 VanDerWaalsContact O-N 3.11Å; Q988-Q992 WeakPolarHBondContact O-CB 3.11Å; Q988-Q992 VanDerWaalsContact O-CG 3.3Å; Q988-Q992 WeakPolarHBondContact O-CG 3.34Å; Q988-Q992 PolarHBondContact O-N 2.95Å; Q988-F998 HydrophobicContact CB-CE1 4.11Å; Q988-F998 HydrophobicContact CB-CE2 4.13Å; Q988-F998 HydrophobicContact CB-CZ 3.68Å; Q988-F998 HydrophobicContact CG-CD2 4.01Å; Q988-F998 HydrophobicContact CG-CE1 4.2Å; Q988-F998 HydrophobicContact CG-CE2 3.45Å; Q988-F998 VanDerWaalsContact CG-CE2 3.45Å; Q988-F998 HydrophobicContact CG-CZ 3.56Å; Q988-Y1044 PolarHBondContact NE2-OH 2.98Å; Q988-L1048 HydrophobicContact CG-CD1 3.89Å; Q988-L1048 HydrophobicContact CG-CD2 4.26Å
989A94.8Very high92.5Very high38 Ų3856.9 Ų56.931%0.31431%0.313SS..Hα-helixtrans-59.9-34176.500000112.9D985 R993 L1062D985-A989 VanDerWaalsContact O-CB 3.3Å; D985-A989 WeakPolarHBondContact O-CB 3.03Å; D985-A989 PolarHBondContact O-N 3.26Å; A989-R993 VanDerWaalsContact O-CB 3.26Å; A989-R993 WeakPolarHBondContact O-CB 3.33Å; A989-R993 PolarHBondContact O-N 2.9Å; A989-R993 VanDerWaalsContact O-N 3.07Å; A989-L1062 HydrophobicContact CB-CD1 4.48Å
990L95.2Very high92.1Very high1 Ų159.3 Ų59.31%0.00533%0.328CS..Hα-helixtrans-66.4-45.8173.2-172.959.8000111.5R986 L987 Q988 R993 S994 I1052 L1057 P1059 V1061 L1062R986-L990 PolarHBondContact O-N 2.74Å; L987-L990 WeakPolarHBondContact O-CB 3.42Å; L987-L990 PolarHBondContact O-N 3.03Å; Q988-L990 VanDerWaalsContact C-N 3.26Å; Q988-L990 PolarHBondContact O-N 2.98Å; L990-R993 PolarHBondContact O-N 2.93Å; L990-S994 PolarHBondContact O-N 2.91Å; L990-I1052 HydrophobicContact CD2-CD1 4.03Å; L990-I1052 HydrophobicContact CD2-CG1 4.12Å; L990-I1052 HydrophobicContact CD2-CG2 4.16Å; L990-L1057 HydrophobicContact CD2-CB 4.33Å; L990-L1057 HydrophobicContact CG-CB 4.28Å; L990-L1057 HydrophobicContact CG-CD1 4.37Å; L990-P1059 HydrophobicContact CD2-CB 4.13Å; L990-V1061 HydrophobicContact CD1-CG2 3.65Å; L990-L1062 HydrophobicContact CB-CD1 3.79Å; L990-L1062 HydrophobicContact CD1-CD1 4.05Å; L990-L1062 HydrophobicContact CD1-CG 4.28Å; L990-L1062 HydrophobicContact CG-CD1 4.48Å
991L93.9Very high91.6Very high0 Ų060.6 Ų60.60%034%0.341CS..Hα-helixtrans-63.5-47.2177.3-69.9161.7000111.8L987 Q988 R993 S994 G995 V996 F998 L1048 L1051 I1052 L1057L987-L991 PolarHBondContact O-N 3.29Å; Q988-L991 PolarHBondContact O-N 2.91Å; Q988-L991 VanDerWaalsContact O-N 3.11Å; L991-R993 PolarHBondContact O-N 2.94Å; L991-S994 CarbonylContact O-C 3.35Å; L991-S994 PolarHBondContact O-N 3.26Å; L991-S994 VanDerWaalsContact O-N 3.14Å; L991-G995 PolarHBondContact O-N 3Å; L991-G995 VanDerWaalsContact O-N 3.07Å; L991-V996 HydrophobicContact CB-CB 4.29Å; L991-V996 HydrophobicContact CD2-CB 3.75Å; L991-V996 HydrophobicContact CD2-CG1 3.62Å; L991-V996 HydrophobicContact CD2-CG2 4.45Å; L991-V996 PolarHBondContact O-N 2.94Å; L991-F998 HydrophobicContact CB-CD1 3.95Å; L991-F998 HydrophobicContact CB-CE1 4.31Å; L991-F998 HydrophobicContact CD1-CB 4.31Å; L991-F998 HydrophobicContact CD1-CD1 4.05Å; L991-F998 HydrophobicContact CD1-CG 4.34Å; L991-L1048 HydrophobicContact CD1-CB 4.17Å; L991-L1048 HydrophobicContact CD1-CD2 3.73Å; L991-L1048 HydrophobicContact CD1-CG 4.5Å; L991-L1051 HydrophobicContact CD1-CB 4.45Å; L991-L1051 HydrophobicContact CD1-CD1 4.49Å; L991-L1051 HydrophobicContact CD2-CB 3.73Å; L991-I1052 HydrophobicContact CD1-CG1 4.39Å; L991-I1052 HydrophobicContact CD2-CG1 3.88Å; L991-I1052 HydrophobicContact CG-CG1 3.92Å; L991-L1057 HydrophobicContact CD2-CD1 3.99Å
992Q93.9Very high90.6Very high126 Ų12658.5 Ų58.559%0.58933%0.333SS*.Hα-helixtrans-57.9-46176.8-72.1175.3-0.700112Q988 S994 G995 F998Q988-Q992 WeakPolarHBondContact O-CB 3.11Å; Q988-Q992 VanDerWaalsContact O-CG 3.3Å; Q988-Q992 WeakPolarHBondContact O-CG 3.34Å; Q988-Q992 PolarHBondContact O-N 2.95Å; Q992-S994 PolarHBondContact O-N 2.86Å; Q992-G995 PolarHBondContact O-N 3.11Å; Q992-F998 HydrophobicContact CG-CE1 3.87Å; Q992-F998 HydrophobicContact CG-CZ 4.29Å
993R92.8Very high89.2Confident160 Ų16060.9 Ų60.960%0.60435%0.353SS*.Hα-helixtrans-62-25.1179.5-175.4174.8179.1-174.1-2.8113A989 L990 L991 V1061A989-R993 VanDerWaalsContact O-CB 3.26Å; A989-R993 WeakPolarHBondContact O-CB 3.33Å; A989-R993 PolarHBondContact O-N 2.9Å; A989-R993 VanDerWaalsContact O-N 3.07Å; L990-R993 PolarHBondContact O-N 2.93Å; L991-R993 PolarHBondContact O-N 2.94Å; R993-V1061 PolarHBondContact NH1-O 3.25Å
994S89.4Confident87.5Confident65 Ų6559.4 Ų59.446%0.45535%0.345SS..THydrogen-bonded Turntrans-101.55.8176.3-67.20000113.9L990 L991 Q992 V996L990-S994 PolarHBondContact O-N 2.91Å; L991-S994 CarbonylContact O-C 3.35Å; L991-S994 PolarHBondContact O-N 3.26Å; L991-S994 VanDerWaalsContact O-N 3.14Å; Q992-S994 PolarHBondContact O-N 2.86Å; S994-V996 VanDerWaalsContact C-N 3.28Å; S994-V996 PolarHBondContact O-N 3.45Å
995G90.6Very high85.5Confident70 Ų7068.9 Ų68.972%0.72239%0.388SS*.THydrogen-bonded Turntrans71.515.8178.800000115.1L991 Q992L991-G995 PolarHBondContact O-N 3Å; L991-G995 VanDerWaalsContact O-N 3.07Å; Q992-G995 PolarHBondContact O-N 3.11Å
996V90.9Very high83.5Confident16 Ų1668.2 Ų68.210%0.09739%0.389CS..  trans-85.8123.5-178.7-176.70000110L991 S994 H1055 L1057L991-V996 HydrophobicContact CB-CB 4.29Å; L991-V996 HydrophobicContact CD2-CB 3.75Å; L991-V996 HydrophobicContact CD2-CG1 3.62Å; L991-V996 HydrophobicContact CD2-CG2 4.45Å; L991-V996 PolarHBondContact O-N 2.94Å; S994-V996 VanDerWaalsContact C-N 3.28Å; S994-V996 PolarHBondContact O-N 3.45Å; V996-H1055 VanDerWaalsContact CG1-CE1 3.49Å; V996-H1055 WeakPolarHBondContact CG1-CE1 3.38Å; V996-H1055 HydrophobicContact CG2-CB 4.14Å; V996-L1057 HydrophobicContact CG2-CD1 4.19Å
997A90.3Very high81.5Confident88 Ų8869.7 Ų69.773%0.72741%0.407SS*.  trans-74.9147176.800000112.2
998F89.9Confident80Confident39 Ų3974 Ų7417%0.17143%0.433CS..  trans-146.5157.8175.659.4-89.6000109.8Q988 L991 Q992 T1000 Y1047 L1048 L1051Q988-F998 HydrophobicContact CB-CE1 4.11Å; Q988-F998 HydrophobicContact CB-CE2 4.13Å; Q988-F998 HydrophobicContact CB-CZ 3.68Å; Q988-F998 HydrophobicContact CG-CD2 4.01Å; Q988-F998 HydrophobicContact CG-CE1 4.2Å; Q988-F998 HydrophobicContact CG-CE2 3.45Å; Q988-F998 VanDerWaalsContact CG-CE2 3.45Å; Q988-F998 HydrophobicContact CG-CZ 3.56Å; L991-F998 HydrophobicContact CB-CD1 3.95Å; L991-F998 HydrophobicContact CB-CE1 4.31Å; L991-F998 HydrophobicContact CD1-CB 4.31Å; L991-F998 HydrophobicContact CD1-CD1 4.05Å; L991-F998 HydrophobicContact CD1-CG 4.34Å; Q992-F998 HydrophobicContact CG-CE1 3.87Å; Q992-F998 HydrophobicContact CG-CZ 4.29Å; F998-T1000 HydrophobicContact CD2-CG2 4.41Å; F998-T1000 HydrophobicContact CE2-CG2 3.97Å; F998-Y1047 HydrophobicContact CB-CE1 4.34Å; F998-L1048 HydrophobicContact CB-CD2 3.86Å; F998-L1048 HydrophobicContact CD2-CD2 4.07Å; F998-L1048 HydrophobicContact CG-CD2 4Å; F998-L1051 HydrophobicContact CB-CD1 3.68Å
999N87.2Confident79Confident68 Ų6878.4 Ų78.436%0.36446%0.458SS..  trans-89.5141.5-178.2-62.10.4000111.2L907 A1037 Y1044 Y1047L907-N999 HydrophobicContact CD1-CB 4.22Å; N999-A1037 HydrophobicContact CB-CB 3.9Å; N999-Y1044 VanDerWaalsContact O-CE2 3.28Å; N999-Y1044 WeakPolarHBondContact O-CE2 3.13Å; N999-Y1044 PolarHBondContact O-OH 3.18Å; N999-Y1047 HydrophobicContact CB-CE1 4.37Å; N999-Y1047 PolarHBondContact N-OH 2.82Å
1000T85.3Confident78.5Confident51 Ų5178.8 Ų78.831%0.31346%0.461SS..  trans-110.6-26169.240.50000112.6F998 G1035 Q1036 A1037F998-T1000 HydrophobicContact CD2-CG2 4.41Å; F998-T1000 HydrophobicContact CE2-CG2 3.97Å; T1000-G1035 CarbonylContact O-C 3.31Å; T1000-G1035 WeakPolarHBondContact O-CA 3.32Å; T1000-G1035 PolarHBondContact O-N 2.97Å; T1000-Q1036 PolarHBondContact O-N 3.45Å; T1000-A1037 WeakPolarHBondContact O-CA 3.29Å; T1000-A1037 PolarHBondContact O-N 2.89Å
1001D81Confident78.1Confident108 Ų10878.8 Ų78.858%0.57846%0.461SS*.SBendtrans-113.7148.4-169.3-59.7-79.5000111.4
1002P70.2Confident77.5Confident58 Ų5880.7 Ų80.738%0.37748%0.481SS..  trans-69.4145.4-17829.4-35.1000111.7N1004P1002-N1004 PolarHBondContact O-N 3.29Å
1003S63.6Low76.9Confident73 Ų7374.7 Ų74.751%0.5145%0.453SS..SBendtrans-75.7-0.1-174.8-46.40000115.6
1004N58Low76.3Confident65 Ų6569.3 Ų69.335%0.34844%0.435SS..SBendtrans-125.6143.6-178.6-69.1-58.3000110.1R904 P1002 T1006R904-N1004 PolarHBondContact O-ND2 2.78Å; P1002-N1004 PolarHBondContact O-N 3.29Å; N1004-T1006 PolarHBondContact O-N 2.79Å; N1004-T1006 VanDerWaalsContact O-N 3.13Å
1005E50.6Low75.7Confident203 Ų20368 Ų6895%0.94942%0.422SS*.SBendtrans-64.6-15.2179.6-61.2-173.9152.100113.8P1007E1005-P1007 WeakPolarHBondContact O-CD 3.47Å
1006T50Low74.8Confident109 Ų10969.8 Ų69.867%0.66941%0.411SS*.SBendtrans-103.6107.1171.850.20000110.8N1004 T1008N1004-T1006 PolarHBondContact O-N 2.79Å; N1004-T1006 VanDerWaalsContact O-N 3.13Å; T1006-T1008 PolarHBondContact O-N 3.22Å
1007P54.5Low73.9Confident97 Ų9772.7 Ų72.763%0.6342%0.423SS*.  trans-64.1133.7173-21.333.7000111.7E1005E1005-P1007 WeakPolarHBondContact O-CD 3.47Å
1008T62.5Low72.7Confident90 Ų9074.4 Ų74.455%0.55242%0.42SS*.  trans-100.7118.6165.850.90000109.8T1006 A1010 T1032T1006-T1008 PolarHBondContact O-N 3.22Å; T1008-A1010 PolarHBondContact O-N 3.4Å; T1008-T1032 PolarHBondContact O-OG1 2.81Å
1009D74.4Confident71.1Confident122 Ų12278.9 Ų78.965%0.65244%0.441SS*.SBendtrans-63.3-8.9179.9-69.1-18.3000114.1Q1031 T1032D1009-Q1031 CarbonylContact O-C 3.56Å; D1009-Q1031 VanDerWaalsContact O-CA 3.27Å; D1009-Q1031 WeakPolarHBondContact O-CA 3.33Å; D1009-Q1031 WeakPolarHBondContact O-CG 3.3Å; D1009-T1032 WeakPolarHBondContact CA-OG1 3.24Å; D1009-T1032 PolarHBondContact O-N 2.83Å; D1009-T1032 PolarHBondContact O-OG1 3.37Å
1010A84.6Confident69.4Low46 Ų4680 Ų8038%0.3847%0.468SS..BIsolated β-bridgetrans-124.1140.8-178.100000112T1008 G1012T1008-A1010 PolarHBondContact O-N 3.4Å; A1010-G1012 PolarHBondContact O-N 2.66Å
1011C86.5Confident67.8Low1 Ų180.4 Ų80.41%0.00748%0.483CS..  trans-72.8115.1-176.2-177.30000111.9V1013 C1028 G1029 L1030 T1032 C1040C1011-V1013 VanDerWaalsContact C-N 3.27Å; C1011-V1013 PolarHBondContact O-N 2.86Å; C1011-C1028 HydrophobicContact CB-CB 4.27Å; C1011-G1029 PolarHBondContact O-N 3Å; C1011-L1030 VanDerWaalsContact CB-O 3.27Å; C1011-L1030 WeakPolarHBondContact CB-O 3.25Å; C1011-L1030 PolarHBondContact N-O 2.82Å; C1011-T1032 HydrophobicContact CB-CG2 4.21Å; C1011-C1040 HydrophobicContact CB-CB 3.85Å; C1011-C1040 PolarHBondContact SG-N 3.04Å
1012G80.5Confident66.2Low40 Ų4082.4 Ų82.441%0.41249%0.489SS..  trans-80.312-179.400000116.3A1010 M1014A1010-G1012 PolarHBondContact O-N 2.66Å; G1012-M1014 PolarHBondContact O-N 3.28Å
1013V82.9Confident65.9Low0 Ų084 Ų840%050%0.499CS..  trans-67.3127.9174.5170.80000109.8A908 L911 T928 C1011 P1027 C1028 L1039 H1043A908-V1013 HydrophobicContact CB-CB 4.47Å; A908-V1013 HydrophobicContact CB-CG2 3.79Å; L911-V1013 HydrophobicContact CD1-CG2 4.09Å; T928-V1013 HydrophobicContact CG2-CG1 3.39Å; C1011-V1013 VanDerWaalsContact C-N 3.27Å; C1011-V1013 PolarHBondContact O-N 2.86Å; V1013-P1027 CarbonylContact O-C 3.48Å; V1013-P1027 WeakPolarHBondContact O-CA 3.43Å; V1013-C1028 HydrophobicContact CB-CB 4.39Å; V1013-C1028 VanDerWaalsContact O-CB 3.31Å; V1013-C1028 WeakPolarHBondContact O-CB 3.5Å; V1013-C1028 PolarHBondContact O-N 2.89Å; V1013-L1039 HydrophobicContact CG2-CD2 3.66Å; V1013-H1043 HydrophobicContact CG2-CB 4.07Å
1014M78.4Confident66Low47 Ų4782.1 Ų82.123%0.23249%0.488CS..EExtended strand (participates in β ladder)trans-76.1129.8177-61.3-60.1-69.500110.9G1012 D1025 P1027G1012-M1014 PolarHBondContact O-N 3.28Å; M1014-D1025 VanDerWaalsContact CE-C 3.47Å; M1014-D1025 HydrophobicContact CE-CB 4Å; M1014-D1025 WeakPolarHBondContact CE-O 3.15Å; M1014-P1027 HydrophobicContact SD-CB 4.28Å
1015E78.2Confident66.6Low37 Ų3783.8 Ų83.817%0.17350%0.497CS..EExtended strand (participates in β ladder)trans-125.3140.5173-60.5-162.280.800110K1017 S1026 C1028 K1042 H1043E1015-K1017 PolarHBondContact O-N 3.32Å; E1015-S1026 PolarHBondContact N-O 3.48Å; E1015-S1026 PolarHBondContact O-N 3.2Å; E1015-S1026 VanDerWaalsContact O-O 3.04Å; E1015-C1028 HydrophobicContact CG-CB 4.22Å; E1015-C1028 WeakPolarHBondContact OE2-CB 3.45Å; E1015-C1028 PolarHBondContact OE2-SG 3.03Å; E1015-K1042 IonicContact OE1-NZ 3.45Å; E1015-K1042 PolarHBondContact OE1-NZ 3.11Å; E1015-K1042 IonicContact OE2-NZ 3.46Å; E1015-K1042 PolarHBondContact OE2-NZ 3.42Å; E1015-K1042 VanDerWaalsContact OE2-NZ 3.1Å; E1015-H1043 IonicContact OE1-NE2 2.73Å; E1015-H1043 IonicContact OE2-CE1 3.6Å; E1015-H1043 PolarHBondContact OE2-CE1 3.01Å
1016Q71.9Confident67.9Low107 Ų10775 Ų7550%0.546%0.458SS..EExtended strand (participates in β ladder)trans-77.2106.2175-160.8-166.9-87.600108.9L927 P1023L927-Q1016 HydrophobicContact CD1-CB 4.35Å; L927-Q1016 HydrophobicContact CD2-CB 4Å; Q1016-P1023 HydrophobicContact CG-CB 3.65Å
1017K71.9Confident69.3Low78 Ų7873.2 Ų73.234%0.33945%0.448SS..EExtended strand (participates in β ladder)trans-101.8157.7178.5-62.2-174.1-158.6151.10110.7E1015 P1023 A1024 S1026 P1027E1015-K1017 PolarHBondContact O-N 3.32Å; K1017-P1023 CarbonylContact O-C 3.55Å; K1017-P1023 WeakPolarHBondContact O-CA 3.4Å; K1017-A1024 PolarHBondContact N-O 2.72Å; K1017-A1024 PolarHBondContact O-N 2.76Å; K1017-S1026 WeakPolarHBondContact CD-OG 3.31Å; K1017-S1026 WeakPolarHBondContact CE-OG 3.35Å; K1017-S1026 WeakPolarHBondContact CG-OG 3.33Å; K1017-S1026 PolarHBondContact NZ-OG 3.17Å; K1017-P1027 PolarHBondContact NZ-O 3.49Å
1018D65Low70.8Confident124 Ų12469.1 Ų69.166%0.66342%0.422SS*.EExtended strand (participates in β ladder)trans-98.492.3-178.2-164.4-13.1000109.8G1021D1018-G1021 WeakPolarHBondContact OD1-CA 3.35Å; D1018-G1021 PolarHBondContact OD1-N 3.28Å
1019E56.8Low71.8Confident133 Ų13367 Ų6762%0.62142%0.418SS*.EExtended strand (participates in β ladder)trans-99.699178.9-68.5-164.6164.500109.4G1021 Q1022E1019-G1021 PolarHBondContact O-N 2.85Å; E1019-Q1022 PolarHBondContact N-O 2.8Å; E1019-Q1022 VanDerWaalsContact N-O 3.11Å; E1019-Q1022 PolarHBondContact O-N 2.96Å
1020G50.7Low72.4Confident90 Ų9065.7 Ų65.793%0.92841%0.41SS*.THydrogen-bonded Turntrans73.420.6176.700000115.3
1021G51.2Low72.6Confident61 Ų6170.6 Ų70.663%0.62943%0.425SS*.THydrogen-bonded Turntrans89.39.3-176.500000113.8D1018 E1019D1018-G1021 WeakPolarHBondContact OD1-CA 3.35Å; D1018-G1021 PolarHBondContact OD1-N 3.28Å; E1019-G1021 PolarHBondContact O-N 2.85Å
1022Q48.3Very low72.7Confident150 Ų15071.6 Ų71.670%0.70143%0.431SS*.EExtended strand (participates in β ladder)trans-117.5133.8167.9-67.7-165.9-8.300110.7E1019 A1024E1019-Q1022 PolarHBondContact N-O 2.8Å; E1019-Q1022 VanDerWaalsContact N-O 3.11Å; E1019-Q1022 PolarHBondContact O-N 2.96Å; Q1022-A1024 PolarHBondContact O-N 2.87Å
1023P62.6Low72.9Confident90 Ų9075.3 Ų75.358%0.58444%0.438SS*.EExtended strand (participates in β ladder)trans-71117.817527.6-32.1000110.7Q1016 K1017Q1016-P1023 HydrophobicContact CG-CB 3.65Å; K1017-P1023 CarbonylContact O-C 3.55Å; K1017-P1023 WeakPolarHBondContact O-CA 3.4Å
1024A67Low72.9Confident34 Ų3481.5 Ų81.528%0.28148%0.478SS..EExtended strand (participates in β ladder)trans-120.2128.517900000111.1K1017 Q1022 S1026K1017-A1024 PolarHBondContact N-O 2.72Å; K1017-A1024 PolarHBondContact O-N 2.76Å; Q1022-A1024 PolarHBondContact O-N 2.87Å; A1024-S1026 PolarHBondContact O-N 3.49Å
1025D70.4Confident73.1Confident101 Ų10180.6 Ų80.654%0.5448%0.481SS..EExtended strand (participates in β ladder)trans-73.9116.6175.9-72.5-23000110.2L927 M1014L927-D1025 WeakPolarHBondContact CD2-OD1 3.35Å; M1014-D1025 VanDerWaalsContact CE-C 3.47Å; M1014-D1025 HydrophobicContact CE-CB 4Å; M1014-D1025 WeakPolarHBondContact CE-O 3.15Å
1026S76.8Confident73.5Confident18 Ų1879.4 Ų79.413%0.12648%0.475CS..EExtended strand (participates in β ladder)trans-137.9153.1-179.464.70000111.4E1015 K1017 A1024E1015-S1026 PolarHBondContact N-O 3.48Å; E1015-S1026 PolarHBondContact O-N 3.2Å; E1015-S1026 VanDerWaalsContact O-O 3.04Å; K1017-S1026 WeakPolarHBondContact CD-OG 3.31Å; K1017-S1026 WeakPolarHBondContact CE-OG 3.35Å; K1017-S1026 WeakPolarHBondContact CG-OG 3.33Å; K1017-S1026 PolarHBondContact NZ-OG 3.17Å; A1024-S1026 PolarHBondContact O-N 3.49Å
1027P80.7Confident74.2Confident71 Ų7174.6 Ų74.646%0.46145%0.454SS..EExtended strand (participates in β ladder)trans-63.7142.2177.226.3-34.5000111.1V1013 M1014 K1017 G1029V1013-P1027 CarbonylContact O-C 3.48Å; V1013-P1027 WeakPolarHBondContact O-CA 3.43Å; M1014-P1027 HydrophobicContact SD-CB 4.28Å; K1017-P1027 PolarHBondContact NZ-O 3.49Å; P1027-G1029 VanDerWaalsContact C-N 3.29Å; P1027-G1029 PolarHBondContact O-N 3.32Å
1028C85.9Confident74.8Confident11 Ų1171.9 Ų71.97%0.07445%0.448CS..  trans-49.6-50.1179.8178.50000111C1011 V1013 E1015 L1030 H1043C1011-C1028 HydrophobicContact CB-CB 4.27Å; V1013-C1028 HydrophobicContact CB-CB 4.39Å; V1013-C1028 VanDerWaalsContact O-CB 3.31Å; V1013-C1028 WeakPolarHBondContact O-CB 3.5Å; V1013-C1028 PolarHBondContact O-N 2.89Å; E1015-C1028 HydrophobicContact CG-CB 4.22Å; E1015-C1028 WeakPolarHBondContact OE2-CB 3.45Å; E1015-C1028 PolarHBondContact OE2-SG 3.03Å; C1028-L1030 PolarHBondContact O-N 3.11Å; C1028-H1043 VanDerWaalsContact SG-CE1 3.58Å
1029G83.9Confident75.9Confident45 Ų4566.1 Ų66.146%0.46442%0.418SS..  trans76.7-6.4173.700000115C1011 P1027C1011-G1029 PolarHBondContact O-N 3Å; P1027-G1029 VanDerWaalsContact C-N 3.29Å; P1027-G1029 PolarHBondContact O-N 3.32Å
1030L87.3Confident77.4Confident96 Ų9660 Ų6050%0.50339%0.39SS..PPolyproline II helixtrans-62.6143.6172.5-68.8177.7000111.1C1011 C1028 C1040C1011-L1030 VanDerWaalsContact CB-O 3.27Å; C1011-L1030 WeakPolarHBondContact CB-O 3.25Å; C1011-L1030 PolarHBondContact N-O 2.82Å; C1028-L1030 PolarHBondContact O-N 3.11Å; L1030-C1040 HydrophobicContact CB-CB 3.74Å
1031Q87.9Confident79.3Confident148 Ų14858.9 Ų58.969%0.69236%0.361SS*.BIsolated β-bridgetrans-62.4140.8-175.1-160.6174.810.800112.2D1009D1009-Q1031 CarbonylContact O-C 3.56Å; D1009-Q1031 VanDerWaalsContact O-CA 3.27Å; D1009-Q1031 WeakPolarHBondContact O-CA 3.33Å; D1009-Q1031 WeakPolarHBondContact O-CG 3.3Å
1032T87.5Confident81.1Confident22 Ų2259.3 Ų59.314%0.13535%0.345CS..PPolyproline II helixtrans-91.5160.1174.162.60000110.3T1008 D1009 C1011 G1038T1008-T1032 PolarHBondContact O-OG1 2.81Å; D1009-T1032 WeakPolarHBondContact CA-OG1 3.24Å; D1009-T1032 PolarHBondContact O-N 2.83Å; D1009-T1032 PolarHBondContact O-OG1 3.37Å; C1011-T1032 HydrophobicContact CB-CG2 4.21Å; T1032-G1038 WeakPolarHBondContact CG2-O 3.45Å
1033Q85.4Confident83Confident118 Ų11852.2 Ų52.255%0.55131%0.312SS*.  trans-136.6157.9173.8-59.8-179.9-15.500110.3Q1036Q1033-Q1036 HydrophobicContact CB-CG 4.38Å; Q1033-Q1036 WeakPolarHBondContact O-CB 3.32Å; Q1033-Q1036 PolarHBondContact O-N 2.76Å
1034P83.1Confident84.3Confident131 Ų13148 Ų4885%0.85129%0.285SS*.THydrogen-bonded Turntrans-51.6142.7170.7-26.335.6000112Q1036P1034-Q1036 VanDerWaalsContact C-N 3.28Å; P1034-Q1036 PolarHBondContact O-N 3.28Å
1035G83.6Confident85.5Confident28 Ų2848.3 Ų48.329%0.28928%0.279SS..THydrogen-bonded Turntrans81.4-8.9-176.200000115.7T1000 Y1044T1000-G1035 CarbonylContact O-C 3.31Å; T1000-G1035 WeakPolarHBondContact O-CA 3.32Å; T1000-G1035 PolarHBondContact O-N 2.97Å; G1035-Y1044 VanDerWaalsContact O-CZ 3.32Å; G1035-Y1044 PolarHBondContact O-OH 2.87Å
1036Q86.8Confident86.5Confident11 Ų1143.9 Ų43.95%0.05125%0.254CS..SBendtrans-9914.9-179.8-56.7179.616.200113.7T1000 Q1033 P1034 G1038 L1039 Y1044T1000-Q1036 PolarHBondContact O-N 3.45Å; Q1033-Q1036 HydrophobicContact CB-CG 4.38Å; Q1033-Q1036 WeakPolarHBondContact O-CB 3.32Å; Q1033-Q1036 PolarHBondContact O-N 2.76Å; P1034-Q1036 VanDerWaalsContact C-N 3.28Å; P1034-Q1036 PolarHBondContact O-N 3.28Å; Q1036-G1038 VanDerWaalsContact C-N 3.26Å; Q1036-G1038 PolarHBondContact O-N 3.48Å; Q1036-G1038 VanDerWaalsContact O-N 3.11Å; Q1036-L1039 WeakPolarHBondContact CB-O 3.16Å; Q1036-L1039 WeakPolarHBondContact O-CB 3.49Å; Q1036-L1039 PolarHBondContact O-N 2.83Å; Q1036-L1039 PolarHBondContact OE1-O 3.28Å; Q1036-Y1044 VanDerWaalsContact C-CD2 3.47Å; Q1036-Y1044 HydrophobicContact CB-CD1 4.4Å; Q1036-Y1044 HydrophobicContact CB-CD2 4.3Å; Q1036-Y1044 HydrophobicContact CB-CG 4.06Å; Q1036-Y1044 HydrophobicContact CG-CD1 4.36Å; Q1036-Y1044 HydrophobicContact CG-CG 4.46Å; Q1036-Y1044 WeakPolarHBondContact O-CD2 2.98Å
1037A85.8Confident87.1Confident6 Ų643.5 Ų43.55%0.0525%0.25CS..THydrogen-bonded Turntrans51.533.8175.200000116L907 N999 T1000 L1039 Y1044L907-A1037 HydrophobicContact CD1-CB 3.54Å; N999-A1037 HydrophobicContact CB-CB 3.9Å; T1000-A1037 WeakPolarHBondContact O-CA 3.29Å; T1000-A1037 PolarHBondContact O-N 2.89Å; A1037-L1039 VanDerWaalsContact C-N 3.3Å; A1037-L1039 PolarHBondContact O-N 3.07Å; A1037-Y1044 HydrophobicContact CB-CD2 4.38Å; A1037-Y1044 HydrophobicContact CB-CE2 3.96Å
1038G83.9Confident87.7Confident21 Ų2140.1 Ų40.122%0.21623%0.228CC..THydrogen-bonded Turntrans78.39.3-177.300000114.8T1032 Q1036T1032-G1038 WeakPolarHBondContact CG2-O 3.45Å; Q1036-G1038 VanDerWaalsContact C-N 3.26Å; Q1036-G1038 PolarHBondContact O-N 3.48Å; Q1036-G1038 VanDerWaalsContact O-N 3.11Å
1039L87.6Confident88.1Confident4 Ų439.8 Ų39.82%0.02123%0.226CC..SBendtrans-101.4163172.3-56.2179.8000110.5L907 L911 V1013 Q1036 A1037 H1043 Y1044L907-L1039 HydrophobicContact CB-CD1 4.01Å; L907-L1039 HydrophobicContact CB-CD2 4.24Å; L907-L1039 HydrophobicContact CB-CG 4.28Å; L907-L1039 HydrophobicContact CD1-CD1 4.08Å; L911-L1039 HydrophobicContact CD1-CD1 3.98Å; L911-L1039 HydrophobicContact CD1-CD2 4.48Å; V1013-L1039 HydrophobicContact CG2-CD2 3.66Å; Q1036-L1039 WeakPolarHBondContact CB-O 3.16Å; Q1036-L1039 WeakPolarHBondContact O-CB 3.49Å; Q1036-L1039 PolarHBondContact O-N 2.83Å; Q1036-L1039 PolarHBondContact OE1-O 3.28Å; A1037-L1039 VanDerWaalsContact C-N 3.3Å; A1037-L1039 PolarHBondContact O-N 3.07Å; L1039-H1043 HydrophobicContact CB-CB 4.34Å; L1039-H1043 HydrophobicContact CD1-CB 4.49Å; L1039-Y1044 HydrophobicContact CD1-CD2 4.43Å
1040C89.5Confident88.3Confident5 Ų538 Ų383%0.03421%0.206CC..  trans-83.7153162.666.10000109.6C1011 L1030 K1042 H1043 Y1044C1011-C1040 HydrophobicContact CB-CB 3.85Å; C1011-C1040 PolarHBondContact SG-N 3.04Å; L1030-C1040 HydrophobicContact CB-CB 3.74Å; C1040-K1042 PolarHBondContact O-N 3.38Å; C1040-H1043 PolarHBondContact O-N 3.32Å; C1040-H1043 PolarHBondContact SG-ND1 3Å; C1040-Y1044 PolarHBondContact O-N 3.12Å
1041M89.6Confident88.5Confident66 Ų6634.4 Ų34.433%0.32519%0.188SC..Hα-helixtrans-45-40.7-174.2179.757.47700114.6A984 Y1044 R1045A984-M1041 HydrophobicContact CB-CE 4.16Å; A984-M1041 HydrophobicContact CB-SD 3.94Å; M1041-Y1044 PolarHBondContact O-N 2.89Å; M1041-R1045 WeakPolarHBondContact O-CG 3.45Å; M1041-R1045 PolarHBondContact O-N 3.27Å; M1041-R1045 HydrophobicContact SD-CG 4.02Å; M1041-R1045 PolarHBondContact SD-NE 2.84Å
1042K89.1Confident88.7Confident70 Ų7027.3 Ų27.330%0.30416%0.155SC..Hα-helixtrans-56.1-54.3175169.1-171.5156.1-162.80112.5E1015 C1040 Y1044 R1045 E1046E1015-K1042 IonicContact OE1-NZ 3.45Å; E1015-K1042 PolarHBondContact OE1-NZ 3.11Å; E1015-K1042 IonicContact OE2-NZ 3.46Å; E1015-K1042 PolarHBondContact OE2-NZ 3.42Å; E1015-K1042 VanDerWaalsContact OE2-NZ 3.1Å; C1040-K1042 PolarHBondContact O-N 3.38Å; K1042-Y1044 VanDerWaalsContact C-N 3.35Å; K1042-R1045 PolarHBondContact O-N 2.92Å; K1042-E1046 PolarHBondContact O-N 3.24Å; K1042-E1046 VanDerWaalsContact O-N 3.09Å
1043H88.4Confident89Confident0 Ų026.7 Ų26.70%015%0.15CC..Hα-helixtrans-76.6-24.4-179.5-65.5133.3000112.2L911 V1013 E1015 C1028 L1039 C1040 E1046 Y1047L911-H1043 HydrophobicContact CD1-CB 4.05Å; V1013-H1043 HydrophobicContact CG2-CB 4.07Å; E1015-H1043 IonicContact OE1-NE2 2.73Å; E1015-H1043 IonicContact OE2-CE1 3.6Å; E1015-H1043 PolarHBondContact OE2-CE1 3.01Å; C1028-H1043 VanDerWaalsContact SG-CE1 3.58Å; L1039-H1043 HydrophobicContact CB-CB 4.34Å; L1039-H1043 HydrophobicContact CD1-CB 4.49Å; C1040-H1043 PolarHBondContact O-N 3.32Å; C1040-H1043 PolarHBondContact SG-ND1 3Å; H1043-E1046 IonicContact CD2-OE2 2.74Å; H1043-E1046 PolarHBondContact O-N 2.05Å; H1043-Y1047 WeakPolarHBondContact O-CB 3.47Å; H1043-Y1047 PolarHBondContact O-N 3.27Å
1044Y91.1Very high89.1Confident2 Ų222.8 Ų22.81%0.00813%0.133CC..Hα-helixtrans-65.7-43.9170-167.9-113.9000111.8A984 Q988 N999 G1035 Q1036 A1037 L1039 C1040 M1041 K1042 E1046 Y1047 L1048A984-Y1044 HydrophobicContact CB-CD1 4.15Å; A984-Y1044 HydrophobicContact CB-CE1 4.15Å; Q988-Y1044 PolarHBondContact NE2-OH 2.98Å; N999-Y1044 VanDerWaalsContact O-CE2 3.28Å; N999-Y1044 WeakPolarHBondContact O-CE2 3.13Å; N999-Y1044 PolarHBondContact O-OH 3.18Å; G1035-Y1044 VanDerWaalsContact O-CZ 3.32Å; G1035-Y1044 PolarHBondContact O-OH 2.87Å; Q1036-Y1044 VanDerWaalsContact C-CD2 3.47Å; Q1036-Y1044 HydrophobicContact CB-CD1 4.4Å; Q1036-Y1044 HydrophobicContact CB-CD2 4.3Å; Q1036-Y1044 HydrophobicContact CB-CG 4.06Å; Q1036-Y1044 HydrophobicContact CG-CD1 4.36Å; Q1036-Y1044 HydrophobicContact CG-CG 4.46Å; Q1036-Y1044 WeakPolarHBondContact O-CD2 2.98Å; A1037-Y1044 HydrophobicContact CB-CD2 4.38Å; A1037-Y1044 HydrophobicContact CB-CE2 3.96Å; L1039-Y1044 HydrophobicContact CD1-CD2 4.43Å; C1040-Y1044 PolarHBondContact O-N 3.12Å; M1041-Y1044 PolarHBondContact O-N 2.89Å; K1042-Y1044 VanDerWaalsContact C-N 3.35Å; Y1044-E1046 PolarHBondContact O-N 3.14Å; Y1044-Y1047 HydrophobicContact CD2-CD1 4.04Å; Y1044-Y1047 AromaticContact CE2-CD1 3.89Å; Y1044-Y1047 HydrophobicContact CE2-CD1 3.89Å; Y1044-Y1047 HydrophobicContact CE2-CE1 4.12Å; Y1044-Y1047 WeakPolarHBondContact O-CB 3.43Å; Y1044-Y1047 PolarHBondContact O-N 3.3Å; Y1044-L1048 HydrophobicContact CD1-CD1 4.07Å; Y1044-L1048 HydrophobicContact CE1-CD1 3.69Å; Y1044-L1048 HydrophobicContact CE1-CD2 4.48Å; Y1044-L1048 HydrophobicContact CE1-CG 4.2Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.24Å; Y1044-L1048 PolarHBondContact O-N 3.37Å
1045R91.8Very high89.5Confident41 Ų4121.2 Ų21.216%0.15511%0.114CC..Hα-helixtrans-61.3-41.7170.5-68.1179.2-168.1-153.4-7.2111.5R980 W982 D983 L987 M1041 K1042 Y1047 L1048 V1049R980-R1045 WeakPolarHBondContact O-CD 3.49Å; R980-R1045 PolarHBondContact O-NH1 2.91Å; W982-R1045 WeakPolarHBondContact O-CD 3.24Å; W982-R1045 PolarHBondContact O-NE 3.35Å; W982-R1045 PolarHBondContact O-NH1 3.38Å; D983-R1045 IonicContact OD1-CZ 3.52Å; D983-R1045 IonicContact OD1-NH1 3.45Å; D983-R1045 IonicContact OD1-NH2 3.1Å; D983-R1045 PolarHBondContact OD1-NH2 2.66Å; L987-R1045 HydrophobicContact CD1-CB 4.12Å; L987-R1045 HydrophobicContact CD1-CG 4Å; M1041-R1045 WeakPolarHBondContact O-CG 3.45Å; M1041-R1045 PolarHBondContact O-N 3.27Å; M1041-R1045 HydrophobicContact SD-CG 4.02Å; M1041-R1045 PolarHBondContact SD-NE 2.84Å; K1042-R1045 PolarHBondContact O-N 2.92Å; R1045-Y1047 VanDerWaalsContact C-N 3.33Å; R1045-Y1047 PolarHBondContact O-N 3.31Å; R1045-L1048 PolarHBondContact O-N 3.38Å; R1045-V1049 WeakPolarHBondContact O-CB 3.36Å; R1045-V1049 WeakPolarHBondContact O-CG2 3.21Å; R1045-V1049 PolarHBondContact O-N 2.75Å
1046E91.1Very high89.9Confident7 Ų722.9 Ų22.93%0.03312%0.122CC..Hα-helixtrans-58.6-42.5174.2-171.4178.315500112.4L911 T928 K929 G930 L976 K1042 H1043 Y1044 V1049 S1050L911-E1046 HydrophobicContact CD2-CB 4.47Å; L911-E1046 HydrophobicContact CD2-CG 4.06Å; T928-E1046 WeakPolarHBondContact CB-OE1 3.24Å; K929-E1046 HydrophobicContact CB-CG 4.46Å; K929-E1046 WeakPolarHBondContact CB-OE1 3.37Å; K929-E1046 PolarHBondContact N-OE1 3.4Å; K929-E1046 PolarHBondContact N-OE2 2.9Å; G930-E1046 PolarHBondContact N-OE2 2.97Å; L976-E1046 HydrophobicContact CD2-CG 3.95Å; K1042-E1046 PolarHBondContact O-N 3.24Å; K1042-E1046 VanDerWaalsContact O-N 3.09Å; H1043-E1046 IonicContact CD2-OE2 2.74Å; H1043-E1046 PolarHBondContact O-N 2.05Å; Y1044-E1046 PolarHBondContact O-N 3.14Å; E1046-V1049 PolarHBondContact O-N 3.32Å; E1046-S1050 PolarHBondContact O-N 2.88Å
1047Y90.1Very high90.3Very high10 Ų1023.3 Ų23.34%0.03912%0.124CC..Hα-helixtrans-61.9-52.1175.4161-112.3000112.6L907 Y910 F998 N999 H1043 Y1044 R1045 V1049 S1050 L1051L907-Y1047 HydrophobicContact CD1-CD1 4.09Å; L907-Y1047 HydrophobicContact CD1-CD2 4.29Å; L907-Y1047 HydrophobicContact CD1-CE1 3.95Å; L907-Y1047 HydrophobicContact CD1-CE2 4.17Å; L907-Y1047 HydrophobicContact CD1-CG 4.25Å; L907-Y1047 HydrophobicContact CD2-CD2 3.98Å; L907-Y1047 HydrophobicContact CD2-CE2 3.57Å; Y910-Y1047 AromaticContact CD1-CD2 3.96Å; Y910-Y1047 HydrophobicContact CD1-CD2 3.96Å; Y910-Y1047 HydrophobicContact CD1-CE2 4.39Å; Y910-Y1047 AromaticContact CE1-CD2 3.76Å; Y910-Y1047 HydrophobicContact CE1-CD2 3.76Å; Y910-Y1047 HydrophobicContact CE1-CE2 4.19Å; F998-Y1047 HydrophobicContact CB-CE1 4.34Å; N999-Y1047 HydrophobicContact CB-CE1 4.37Å; N999-Y1047 PolarHBondContact N-OH 2.82Å; H1043-Y1047 WeakPolarHBondContact O-CB 3.47Å; H1043-Y1047 PolarHBondContact O-N 3.27Å; Y1044-Y1047 HydrophobicContact CD2-CD1 4.04Å; Y1044-Y1047 AromaticContact CE2-CD1 3.89Å; Y1044-Y1047 HydrophobicContact CE2-CD1 3.89Å; Y1044-Y1047 HydrophobicContact CE2-CE1 4.12Å; Y1044-Y1047 WeakPolarHBondContact O-CB 3.43Å; Y1044-Y1047 PolarHBondContact O-N 3.3Å; R1045-Y1047 VanDerWaalsContact C-N 3.33Å; R1045-Y1047 PolarHBondContact O-N 3.31Å; Y1047-V1049 VanDerWaalsContact C-N 3.26Å; Y1047-V1049 PolarHBondContact O-N 3.03Å; Y1047-S1050 WeakPolarHBondContact O-CB 3.36Å; Y1047-S1050 PolarHBondContact O-N 2.86Å; Y1047-S1050 VanDerWaalsContact O-N 3.07Å; Y1047-L1051 HydrophobicContact CE1-CD1 4.25Å; Y1047-L1051 HydrophobicContact CE2-CD1 3.89Å; Y1047-L1051 HydrophobicContact CE2-CD2 4.47Å; Y1047-L1051 HydrophobicContact CE2-CG 4.17Å; Y1047-L1051 PolarHBondContact O-N 3.22Å
1048L92.9Very high90.7Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-60.1-37.8177.5-63.3177.1000111.6A984 L987 Q988 L991 F998 Y1044 R1045 L1051 I1052A984-L1048 HydrophobicContact CB-CD1 4.3Å; L987-L1048 HydrophobicContact CB-CB 4.14Å; L987-L1048 HydrophobicContact CB-CD1 3.9Å; L987-L1048 HydrophobicContact CD1-CB 4.43Å; L987-L1048 HydrophobicContact CD1-CD1 4.4Å; Q988-L1048 HydrophobicContact CG-CD1 3.89Å; Q988-L1048 HydrophobicContact CG-CD2 4.26Å; L991-L1048 HydrophobicContact CD1-CB 4.17Å; L991-L1048 HydrophobicContact CD1-CD2 3.73Å; L991-L1048 HydrophobicContact CD1-CG 4.5Å; F998-L1048 HydrophobicContact CB-CD2 3.86Å; F998-L1048 HydrophobicContact CD2-CD2 4.07Å; F998-L1048 HydrophobicContact CG-CD2 4Å; Y1044-L1048 HydrophobicContact CD1-CD1 4.07Å; Y1044-L1048 HydrophobicContact CE1-CD1 3.69Å; Y1044-L1048 HydrophobicContact CE1-CD2 4.48Å; Y1044-L1048 HydrophobicContact CE1-CG 4.2Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.24Å; Y1044-L1048 PolarHBondContact O-N 3.37Å; R1045-L1048 PolarHBondContact O-N 3.38Å; L1048-L1051 PolarHBondContact O-N 3.14Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.42Å; L1048-I1052 PolarHBondContact O-N 3.04Å
1049V92.9Very high91.2Very high4 Ų423.2 Ų23.22%0.02412%0.118CC..Hα-helixtrans-71.9-26.5176.8172.60000112.8L976 L979 L987 R1045 E1046 Y1047 N1053L976-V1049 HydrophobicContact CB-CG1 3.93Å; L976-V1049 HydrophobicContact CD1-CB 3.9Å; L976-V1049 HydrophobicContact CD1-CG1 3.79Å; L976-V1049 HydrophobicContact CD1-CG2 4.1Å; L976-V1049 HydrophobicContact CG-CG1 4.45Å; L979-V1049 HydrophobicContact CB-CG1 4.22Å; L979-V1049 HydrophobicContact CB-CG2 3.5Å; L979-V1049 VanDerWaalsContact CB-CG2 3.5Å; L979-V1049 HydrophobicContact CD1-CG1 4.2Å; L979-V1049 HydrophobicContact CD1-CG2 4.22Å; L987-V1049 HydrophobicContact CD1-CG2 4.18Å; L987-V1049 HydrophobicContact CD2-CG2 3.94Å; R1045-V1049 WeakPolarHBondContact O-CB 3.36Å; R1045-V1049 WeakPolarHBondContact O-CG2 3.21Å; R1045-V1049 PolarHBondContact O-N 2.75Å; E1046-V1049 PolarHBondContact O-N 3.32Å; Y1047-V1049 VanDerWaalsContact C-N 3.26Å; Y1047-V1049 PolarHBondContact O-N 3.03Å; V1049-N1053 WeakPolarHBondContact CG1-ND2 3.48Å; V1049-N1053 WeakPolarHBondContact O-CB 3.31Å; V1049-N1053 PolarHBondContact O-N 2.7Å; V1049-N1053 VanDerWaalsContact O-N 3.15Å; V1049-N1053 PolarHBondContact O-ND2 2.69Å
1050S89.6Confident91.5Very high8 Ų823 Ų236%0.05612%0.117CC..Hα-helixtrans-63.4-51.2167.4-160.90000110Y910 N914 E1046 Y1047 I1052 N1053 D1054Y910-S1050 PolarHBondContact OH-OG 2.73Å; Y910-S1050 VanDerWaalsContact OH-OG 3.1Å; N914-S1050 PolarHBondContact ND2-OG 2.9Å; E1046-S1050 PolarHBondContact O-N 2.88Å; Y1047-S1050 WeakPolarHBondContact O-CB 3.36Å; Y1047-S1050 PolarHBondContact O-N 2.86Å; Y1047-S1050 VanDerWaalsContact O-N 3.07Å; S1050-I1052 VanDerWaalsContact C-N 3.35Å; S1050-I1052 PolarHBondContact O-N 2.84Å; S1050-N1053 PolarHBondContact O-N 3.42Å; S1050-D1054 WeakPolarHBondContact O-CB 3.14Å; S1050-D1054 VanDerWaalsContact O-CG 3.22Å; S1050-D1054 PolarHBondContact O-N 2.76Å; S1050-D1054 PolarHBondContact OG-OD2 2.99Å
1051L90.4Very high91.6Very high20 Ų2025 Ų2511%0.10513%0.129CC..Hα-helixtrans-59.2-42.6179.6-62.8178000112.8L991 F998 Y1047 L1048 N1053 H1055L991-L1051 HydrophobicContact CD1-CB 4.45Å; L991-L1051 HydrophobicContact CD1-CD1 4.49Å; L991-L1051 HydrophobicContact CD2-CB 3.73Å; F998-L1051 HydrophobicContact CB-CD1 3.68Å; Y1047-L1051 HydrophobicContact CE1-CD1 4.25Å; Y1047-L1051 HydrophobicContact CE2-CD1 3.89Å; Y1047-L1051 HydrophobicContact CE2-CD2 4.47Å; Y1047-L1051 HydrophobicContact CE2-CG 4.17Å; Y1047-L1051 PolarHBondContact O-N 3.22Å; L1048-L1051 PolarHBondContact O-N 3.14Å; L1051-N1053 VanDerWaalsContact C-N 3.3Å; L1051-N1053 PolarHBondContact O-N 3.1Å; L1051-H1055 PolarHBondContact O-N 2.86Å; L1051-H1055 VanDerWaalsContact O-N 3.12Å; L1051-H1055 PolarHBondContact O-ND1 2.95Å
1052I93.4Very high91.8Very high0 Ų024.1 Ų24.10%013%0.125CC..Hα-helixtrans-56.9-44.4174.5-76.2163.6000111.1L979 L987 L990 L991 L1048 S1050 S1056 L1057L979-I1052 HydrophobicContact CD1-CG2 3.98Å; L987-I1052 HydrophobicContact CB-CD1 4.13Å; L987-I1052 HydrophobicContact CD2-CD1 3.61Å; L987-I1052 HydrophobicContact CG-CD1 4.48Å; L990-I1052 HydrophobicContact CD2-CD1 4.03Å; L990-I1052 HydrophobicContact CD2-CG1 4.12Å; L990-I1052 HydrophobicContact CD2-CG2 4.16Å; L991-I1052 HydrophobicContact CD1-CG1 4.39Å; L991-I1052 HydrophobicContact CD2-CG1 3.88Å; L991-I1052 HydrophobicContact CG-CG1 3.92Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.42Å; L1048-I1052 PolarHBondContact O-N 3.04Å; S1050-I1052 VanDerWaalsContact C-N 3.35Å; S1050-I1052 PolarHBondContact O-N 2.84Å; I1052-S1056 PolarHBondContact O-N 2.92Å; I1052-L1057 HydrophobicContact CG2-CB 4.28Å; I1052-L1057 PolarHBondContact O-N 3.49Å
1053N92.3Very high92.1Very high9 Ų922.4 Ų22.45%0.04812%0.117CC..Hα-helixtrans-77.6-38.7-177.3-80.6-57.4000113.4D974 V1049 S1050 L1051 H1055 S1056 V1107 R1109D974-N1053 PolarHBondContact O-ND2 3.39Å; D974-N1053 PolarHBondContact O-OD1 2.84Å; D974-N1053 PolarHBondContact OD2-OD1 2.89Å; V1049-N1053 WeakPolarHBondContact CG1-ND2 3.48Å; V1049-N1053 WeakPolarHBondContact O-CB 3.31Å; V1049-N1053 PolarHBondContact O-N 2.7Å; V1049-N1053 VanDerWaalsContact O-N 3.15Å; V1049-N1053 PolarHBondContact O-ND2 2.69Å; S1050-N1053 PolarHBondContact O-N 3.42Å; L1051-N1053 VanDerWaalsContact C-N 3.3Å; L1051-N1053 PolarHBondContact O-N 3.1Å; N1053-H1055 PolarHBondContact O-N 3.06Å; N1053-S1056 PolarHBondContact O-N 3.19Å; N1053-V1107 HydrophobicContact CB-CG1 3.85Å; N1053-V1107 VanDerWaalsContact CG-CG1 3.5Å; N1053-V1107 WeakPolarHBondContact OD1-CG1 3.27Å; N1053-R1109 WeakPolarHBondContact O-CD 3.37Å; N1053-R1109 VanDerWaalsContact O-CG 3.26Å; N1053-R1109 WeakPolarHBondContact O-CG 3.44Å; N1053-R1109 PolarHBondContact O-NH1 2.91Å; N1053-R1109 PolarHBondContact OD1-NH1 2.69Å
1054D88.9Confident92.2Very high35 Ų3529 Ų2919%0.18715%0.148CC..Hα-helixtrans-58.9-36.1174.8-71.1-34.4000111.4Y910 S1050 S1110Y910-D1054 PolarHBondContact OH-OD2 3.28Å; S1050-D1054 WeakPolarHBondContact O-CB 3.14Å; S1050-D1054 VanDerWaalsContact O-CG 3.22Å; S1050-D1054 PolarHBondContact O-N 2.76Å; S1050-D1054 PolarHBondContact OG-OD2 2.99Å; D1054-S1110 PolarHBondContact OD1-N 2.92Å
1055H90.4Very high92.1Very high99 Ų9931.5 Ų31.546%0.45816%0.163SC..THydrogen-bonded Turntrans-94.25.1176.2-6281.4000114.2V996 L1051 N1053 L1057V996-H1055 VanDerWaalsContact CG1-CE1 3.49Å; V996-H1055 WeakPolarHBondContact CG1-CE1 3.38Å; V996-H1055 HydrophobicContact CG2-CB 4.14Å; L1051-H1055 PolarHBondContact O-N 2.86Å; L1051-H1055 VanDerWaalsContact O-N 3.12Å; L1051-H1055 PolarHBondContact O-ND1 2.95Å; N1053-H1055 PolarHBondContact O-N 3.06Å; H1055-L1057 VanDerWaalsContact C-N 3.31Å; H1055-L1057 HydrophobicContact CB-CD2 3.89Å; H1055-L1057 HydrophobicContact CB-CG 3.96Å; H1055-L1057 PolarHBondContact O-N 2.84Å
1056S92.4Very high92Very high63 Ų6337.1 Ų37.144%0.44119%0.191SC..THydrogen-bonded Turntrans55.335.9-179.3-51.80000115.2I1052 N1053 L1103 R1109I1052-S1056 PolarHBondContact O-N 2.92Å; N1053-S1056 PolarHBondContact O-N 3.19Å; S1056-L1103 WeakPolarHBondContact O-CD1 3.3Å; S1056-R1109 VanDerWaalsContact OG-CD 3.27Å; S1056-R1109 WeakPolarHBondContact OG-CD 3.45Å
1057L94.2Very high92.1Very high20 Ų2039.3 Ų39.311%0.10520%0.201CC..  trans-75.6127-177.5-49.6-174.4000111.2L990 L991 V996 I1052 H1055 P1059L990-L1057 HydrophobicContact CD2-CB 4.33Å; L990-L1057 HydrophobicContact CG-CB 4.28Å; L990-L1057 HydrophobicContact CG-CD1 4.37Å; L991-L1057 HydrophobicContact CD2-CD1 3.99Å; V996-L1057 HydrophobicContact CG2-CD1 4.19Å; I1052-L1057 HydrophobicContact CG2-CB 4.28Å; I1052-L1057 PolarHBondContact O-N 3.49Å; H1055-L1057 VanDerWaalsContact C-N 3.31Å; H1055-L1057 HydrophobicContact CB-CD2 3.89Å; H1055-L1057 HydrophobicContact CB-CG 3.96Å; H1055-L1057 PolarHBondContact O-N 2.84Å; L1057-P1059 WeakPolarHBondContact O-CD 2.75Å
1058D94.4Very high92.2Very high24 Ų2439 Ų3913%0.12820%0.2CC..  trans-82.7114.8178.8-170.5-14000111.4R973 A1060 V1061 L1103R973-D1058 IonicContact CZ-OD1 2.68Å; R973-D1058 IonicContact CZ-OD2 3.39Å; R973-D1058 IonicContact NE-OD1 3.42Å; R973-D1058 PolarHBondContact NE-OD1 2.72Å; R973-D1058 IonicContact NE-OD2 3.87Å; R973-D1058 PolarHBondContact NE-OD2 2.97Å; R973-D1058 IonicContact NH2-OD1 3.4Å; R973-D1058 IonicContact NH2-OD2 3.99Å; R973-D1058 PolarHBondContact NH2-OD2 3.46Å; D1058-A1060 PolarHBondContact O-N 2.73Å; D1058-A1060 WeakPolarHBondContact OD1-CB 3.45Å; D1058-A1060 PolarHBondContact OD1-N 2.98Å; D1058-V1061 WeakPolarHBondContact O-CG2 3.45Å; D1058-V1061 PolarHBondContact O-N 2.64Å; D1058-L1103 HydrophobicContact CB-CD1 4.16Å; D1058-L1103 HydrophobicContact CB-CD2 4.13Å; D1058-L1103 HydrophobicContact CB-CG 4.5Å
1059P95.3Very high92.1Very high0 Ų041.8 Ų41.80%022%0.217CC..G310 helixtrans-66.8-17179.229.9-37000113.4R973 L979 W982 L990 L1057 V1061 L1062 Y1063R973-P1059 HydrophobicContact CG-CG 4.34Å; R973-P1059 WeakPolarHBondContact O-CG 3.42Å; L979-P1059 HydrophobicContact CD2-CB 3.82Å; L979-P1059 HydrophobicContact CD2-CG 4.08Å; W982-P1059 HydrophobicContact CH2-CB 3.79Å; W982-P1059 HydrophobicContact CZ2-CB 4.34Å; W982-P1059 HydrophobicContact CZ3-CB 4.18Å; L990-P1059 HydrophobicContact CD2-CB 4.13Å; L1057-P1059 WeakPolarHBondContact O-CD 2.75Å; P1059-V1061 PolarHBondContact O-N 3.44Å; P1059-V1061 VanDerWaalsContact O-N 3.1Å; P1059-L1062 PolarHBondContact O-N 3.04Å; P1059-L1062 VanDerWaalsContact O-N 3.09Å; P1059-Y1063 HydrophobicContact CB-CE1 4.01Å; P1059-Y1063 HydrophobicContact CG-CE1 4.37Å; P1059-Y1063 WeakPolarHBondContact O-CD1 3.49Å; P1059-Y1063 WeakPolarHBondContact O-CE1 3.23Å
1060A93.7Very high92Very high1 Ų144.4 Ų44.41%0.00823%0.233CC..G310 helixtrans-58-24.7178.100000113.3D1058 L1062 Y1063 L1095 L1098D1058-A1060 PolarHBondContact O-N 2.73Å; D1058-A1060 WeakPolarHBondContact OD1-CB 3.45Å; D1058-A1060 PolarHBondContact OD1-N 2.98Å; A1060-L1062 PolarHBondContact O-N 2.95Å; A1060-L1062 VanDerWaalsContact O-N 3.12Å; A1060-Y1063 HydrophobicContact CB-CD2 4.38Å; A1060-Y1063 WeakPolarHBondContact O-CB 3.3Å; A1060-Y1063 PolarHBondContact O-N 3.16Å; A1060-Y1063 VanDerWaalsContact O-N 3.08Å; A1060-L1095 HydrophobicContact CB-CD1 3.82Å; A1060-L1095 WeakPolarHBondContact O-CD1 3.41Å; A1060-L1098 HydrophobicContact CB-CD2 3.85Å; A1060-L1098 HydrophobicContact CB-CG 4.42Å
1061V92.2Very high92Very high47 Ų4744.1 Ų44.129%0.28523%0.232SC..G310 helixtrans-67.2-10.4178.7-50.70000113.9L990 R993 D1058 P1059L990-V1061 HydrophobicContact CD1-CG2 3.65Å; R993-V1061 PolarHBondContact NH1-O 3.25Å; D1058-V1061 WeakPolarHBondContact O-CG2 3.45Å; D1058-V1061 PolarHBondContact O-N 2.64Å; P1059-V1061 PolarHBondContact O-N 3.44Å; P1059-V1061 VanDerWaalsContact O-N 3.1Å
1062L93.9Very high92Very high47 Ų4743.2 Ų43.225%0.24623%0.227CC..G310 helixtrans-117.910.3173.9-62.5179.3000112.9W982 R986 A989 L990 P1059 A1060W982-L1062 HydrophobicContact CH2-CB 4.06Å; W982-L1062 HydrophobicContact CZ3-CD1 4.38Å; R986-L1062 PolarHBondContact NH2-O 3.39Å; A989-L1062 HydrophobicContact CB-CD1 4.48Å; L990-L1062 HydrophobicContact CB-CD1 3.79Å; L990-L1062 HydrophobicContact CD1-CD1 4.05Å; L990-L1062 HydrophobicContact CD1-CG 4.28Å; L990-L1062 HydrophobicContact CG-CD1 4.48Å; P1059-L1062 PolarHBondContact O-N 3.04Å; P1059-L1062 VanDerWaalsContact O-N 3.09Å; A1060-L1062 PolarHBondContact O-N 2.95Å; A1060-L1062 VanDerWaalsContact O-N 3.12Å
1063Y94Very high91.8Very high34 Ų3448.4 Ų48.413%0.13325%0.251CS..  trans-74.7137178.9-78.314.4000111.4W982 P1059 A1060 E1067 L1068 A1071 L1098W982-Y1063 HydrophobicContact CH2-CD1 4.13Å; W982-Y1063 HydrophobicContact CH2-CE1 4.06Å; W982-Y1063 AromaticContact CZ2-CD1 3.7Å; W982-Y1063 HydrophobicContact CZ2-CD1 3.7Å; W982-Y1063 AromaticContact CZ2-CE1 3.51Å; W982-Y1063 HydrophobicContact CZ2-CE1 3.51Å; P1059-Y1063 HydrophobicContact CB-CE1 4.01Å; P1059-Y1063 HydrophobicContact CG-CE1 4.37Å; P1059-Y1063 WeakPolarHBondContact O-CD1 3.49Å; P1059-Y1063 WeakPolarHBondContact O-CE1 3.23Å; A1060-Y1063 HydrophobicContact CB-CD2 4.38Å; A1060-Y1063 WeakPolarHBondContact O-CB 3.3Å; A1060-Y1063 PolarHBondContact O-N 3.16Å; A1060-Y1063 VanDerWaalsContact O-N 3.08Å; Y1063-E1067 WeakPolarHBondContact CA-OE2 3.46Å; Y1063-E1067 HydrophobicContact CD2-CB 4.01Å; Y1063-E1067 HydrophobicContact CG-CB 3.97Å; Y1063-L1068 HydrophobicContact CD2-CD2 4.05Å; Y1063-L1068 HydrophobicContact CG-CD2 4.4Å; Y1063-A1071 HydrophobicContact CD2-CB 4.24Å; Y1063-A1071 HydrophobicContact CE2-CB 3.8Å; Y1063-L1098 HydrophobicContact CD2-CD2 4Å; Y1063-L1098 HydrophobicContact CE2-CD2 4.03Å
1064E92.2Very high91.6Very high139 Ų13953 Ų5365%0.6527%0.268SS*.  trans-74.3161.5167.6-63.8-175.1-175.900111.2Q1066 E1067 L1068E1064-Q1066 PolarHBondContact O-N 3.04Å; E1064-Q1066 VanDerWaalsContact O-N 3.08Å; E1064-E1067 PolarHBondContact N-OE2 3.13Å; E1064-E1067 PolarHBondContact O-N 3.47Å; E1064-L1068 PolarHBondContact O-N 3.1Å
1065T88.6Confident91.5Very high54 Ų5453.7 Ų53.733%0.33127%0.268SS..Hα-helixtrans-53.6-34.7-178.4-52.80000113V1069 S1091T1065-V1069 WeakPolarHBondContact O-CG2 3.46Å; T1065-V1069 PolarHBondContact O-N 3.36Å; T1065-S1091 WeakPolarHBondContact OG1-CB 3.28Å; T1065-S1091 PolarHBondContact OG1-OG 2.92Å
1066Q90.1Very high91.3Very high158 Ų15852.6 Ų52.674%0.73827%0.265SS*.Hα-helixtrans-73.8-36.6177.1-173.1166.3-15.500112.9E1064 V1069 V1070E1064-Q1066 PolarHBondContact O-N 3.04Å; E1064-Q1066 VanDerWaalsContact O-N 3.08Å; Q1066-V1069 PolarHBondContact O-N 2.99Å; Q1066-V1070 WeakPolarHBondContact O-CG2 3.04Å; Q1066-V1070 PolarHBondContact O-N 2.85Å; Q1066-V1070 VanDerWaalsContact O-N 3.1Å
1067E92.4Very high90.7Very high53 Ų5351 Ų5125%0.24826%0.259CS..Hα-helixtrans-67.5-38.7172.8-67.5174.2122.400111.2R986 Y1063 E1064 V1070 A1071R986-E1067 IonicContact CZ-OE1 3.2Å; R986-E1067 IonicContact CZ-OE2 3.6Å; R986-E1067 IonicContact NH1-OE1 3.87Å; R986-E1067 PolarHBondContact NH1-OE1 3.26Å; R986-E1067 IonicContact NH1-OE2 3.63Å; R986-E1067 IonicContact NH2-OE1 2.7Å; R986-E1067 PolarHBondContact NH2-OE1 2.99Å; R986-E1067 IonicContact NH2-OE2 2.67Å; R986-E1067 PolarHBondContact NH2-OE2 3.42Å; Y1063-E1067 WeakPolarHBondContact CA-OE2 3.46Å; Y1063-E1067 HydrophobicContact CD2-CB 4.01Å; Y1063-E1067 HydrophobicContact CG-CB 3.97Å; E1064-E1067 PolarHBondContact N-OE2 3.13Å; E1064-E1067 PolarHBondContact O-N 3.47Å; E1067-V1070 PolarHBondContact O-N 2.79Å; E1067-A1071 VanDerWaalsContact O-CB 3.26Å; E1067-A1071 WeakPolarHBondContact O-CB 3.47Å; E1067-A1071 PolarHBondContact O-N 3.23Å
1068L91.9Very high89.9Confident3 Ų355.8 Ų55.82%0.01629%0.285CS..Hα-helixtrans-60.9-44.5173.3-72.1171.8000111.9Y1063 E1064 A1071 C1072 S1091 L1094 L1095 L1098Y1063-L1068 HydrophobicContact CD2-CD2 4.05Å; Y1063-L1068 HydrophobicContact CG-CD2 4.4Å; E1064-L1068 PolarHBondContact O-N 3.1Å; L1068-A1071 PolarHBondContact O-N 2.85Å; L1068-C1072 VanDerWaalsContact O-CB 3.32Å; L1068-C1072 WeakPolarHBondContact O-CB 3.4Å; L1068-C1072 PolarHBondContact O-N 3.26Å; L1068-C1072 PolarHBondContact O-SG 2.97Å; L1068-C1072 VanDerWaalsContact O-SG 3.36Å; L1068-S1091 WeakPolarHBondContact CD1-OG 3.5Å; L1068-L1094 HydrophobicContact CB-CB 4.07Å; L1068-L1094 HydrophobicContact CB-CD1 4.26Å; L1068-L1095 HydrophobicContact CD1-CB 4.03Å; L1068-L1095 HydrophobicContact CD2-CB 3.97Å; L1068-L1095 HydrophobicContact CD2-CD1 4.06Å; L1068-L1098 HydrophobicContact CD2-CD2 3.79Å
1069V90.5Very high89.1Confident59 Ų5956.7 Ų56.736%0.35829%0.289SS..Hα-helixtrans-58.8-48.7174168.30000111.1T1065 Q1066 A1071 C1072 Q1073 F1090 L1094T1065-V1069 WeakPolarHBondContact O-CG2 3.46Å; T1065-V1069 PolarHBondContact O-N 3.36Å; Q1066-V1069 PolarHBondContact O-N 2.99Å; V1069-A1071 PolarHBondContact O-N 3.02Å; V1069-C1072 PolarHBondContact O-N 2.79Å; V1069-Q1073 WeakPolarHBondContact O-CB 3.45Å; V1069-Q1073 PolarHBondContact O-N 3.32Å; V1069-F1090 HydrophobicContact CG2-CE1 4.01Å; V1069-F1090 HydrophobicContact CG2-CZ 4.32Å; V1069-L1094 HydrophobicContact CB-CD1 4.44Å; V1069-L1094 HydrophobicContact CG2-CD1 3.5Å; V1069-L1094 VanDerWaalsContact CG2-CD1 3.5Å
1070V90.8Very high88.4Confident59 Ų5965.4 Ų65.436%0.35833%0.327SS..Hα-helixtrans-65.1-38.9-179.51710000112Q1066 E1067 R1074Q1066-V1070 WeakPolarHBondContact O-CG2 3.04Å; Q1066-V1070 PolarHBondContact O-N 2.85Å; Q1066-V1070 VanDerWaalsContact O-N 3.1Å; E1067-V1070 PolarHBondContact O-N 2.79Å; V1070-R1074 WeakPolarHBondContact O-CB 3.07Å; V1070-R1074 PolarHBondContact O-N 2.76Å
1071A90.7Very high87.9Confident3 Ų369.3 Ų69.33%0.02534%0.344CS..Hα-helixtrans-69.9-45177.400000111.9Y1063 E1067 L1068 V1069 Q1073 R1074 Y1075 L1098Y1063-A1071 HydrophobicContact CD2-CB 4.24Å; Y1063-A1071 HydrophobicContact CE2-CB 3.8Å; E1067-A1071 VanDerWaalsContact O-CB 3.26Å; E1067-A1071 WeakPolarHBondContact O-CB 3.47Å; E1067-A1071 PolarHBondContact O-N 3.23Å; L1068-A1071 PolarHBondContact O-N 2.85Å; V1069-A1071 PolarHBondContact O-N 3.02Å; A1071-Q1073 PolarHBondContact O-N 2.75Å; A1071-R1074 PolarHBondContact O-N 2.94Å; A1071-Y1075 HydrophobicContact CB-CD2 4.4Å; A1071-Y1075 HydrophobicContact CB-CE2 4.41Å; A1071-Y1075 WeakPolarHBondContact O-CD2 3.49Å; A1071-Y1075 PolarHBondContact O-N 3.31Å; A1071-L1098 HydrophobicContact CB-CD1 3.96Å; A1071-L1098 HydrophobicContact CB-CD2 3.62Å; A1071-L1098 HydrophobicContact CB-CG 4.47Å
1072C90.1Very high87.3Confident1 Ų168.7 Ų68.71%0.00735%0.347CS..Hα-helixtrans-59.4-46.1172.7-74.20000111.4L1068 V1069 R1074 Y1075 L1076 G1077 L1079 L1094L1068-C1072 VanDerWaalsContact O-CB 3.32Å; L1068-C1072 WeakPolarHBondContact O-CB 3.4Å; L1068-C1072 PolarHBondContact O-N 3.26Å; L1068-C1072 PolarHBondContact O-SG 2.97Å; L1068-C1072 VanDerWaalsContact O-SG 3.36Å; V1069-C1072 PolarHBondContact O-N 2.79Å; C1072-R1074 VanDerWaalsContact C-N 3.25Å; C1072-R1074 PolarHBondContact O-N 3.3Å; C1072-Y1075 PolarHBondContact O-N 2.92Å; C1072-L1076 CarbonylContact O-C 3.49Å; C1072-L1076 WeakPolarHBondContact O-CA 3.45Å; C1072-L1076 WeakPolarHBondContact O-CB 3.16Å; C1072-L1076 PolarHBondContact O-N 3.23Å; C1072-G1077 PolarHBondContact O-N 3.27Å; C1072-L1079 HydrophobicContact CB-CD1 3.95Å; C1072-L1079 HydrophobicContact CB-CG 4.49Å; C1072-L1094 HydrophobicContact CB-CD2 4.15Å; C1072-L1094 PolarHBondContact SG-O 2.81Å
1073Q88.6Confident86.1Confident109 Ų10975 Ų7551%0.50938%0.381SS..Hα-helixtrans-57.8-38.7176-175.1175.86300112.3V1069 A1071 G1077 D1078V1069-Q1073 WeakPolarHBondContact O-CB 3.45Å; V1069-Q1073 PolarHBondContact O-N 3.32Å; A1071-Q1073 PolarHBondContact O-N 2.75Å; Q1073-G1077 WeakPolarHBondContact CA-O 3.32Å; Q1073-G1077 WeakPolarHBondContact O-CA 3.29Å; Q1073-G1077 PolarHBondContact O-N 2.92Å; Q1073-D1078 WeakPolarHBondContact CG-OD1 3.43Å; Q1073-D1078 PolarHBondContact NE2-OD1 2.84Å
1074R88.6Confident85.3Confident105 Ų10577.6 Ų77.640%0.39642%0.419SS..Hα-helixtrans-71.6-39.1-180-172.8-177.9-60.5152.94.3114.1Y978 V1070 A1071 C1072Y978-R1074 VanDerWaalsContact CE1-NH1 3.31Å; Y978-R1074 WeakPolarHBondContact OH-CD 3.44Å; Y978-R1074 PolarHBondContact OH-NH1 3.35Å; V1070-R1074 WeakPolarHBondContact O-CB 3.07Å; V1070-R1074 PolarHBondContact O-N 2.76Å; A1071-R1074 PolarHBondContact O-N 2.94Å; C1072-R1074 VanDerWaalsContact C-N 3.25Å; C1072-R1074 PolarHBondContact O-N 3.3Å
1075Y87.3Confident85Confident50 Ų5073.1 Ų73.120%0.19640%0.398CS..Hα-helixtrans-106.6-24-171.4-58.6-61.3000114.5H971 R973 Y978 A1071 C1072 L1098H971-Y1075 WeakPolarHBondContact O-CE1 3.47Å; H971-Y1075 PolarHBondContact O-OH 3.46Å; R973-Y1075 HydrophobicContact CB-CE2 4.14Å; R973-Y1075 PolarHBondContact N-OH 3.27Å; Y978-Y1075 WeakPolarHBondContact CE2-OH 3.18Å; A1071-Y1075 HydrophobicContact CB-CD2 4.4Å; A1071-Y1075 HydrophobicContact CB-CE2 4.41Å; A1071-Y1075 WeakPolarHBondContact O-CD2 3.49Å; A1071-Y1075 PolarHBondContact O-N 3.31Å; C1072-Y1075 PolarHBondContact O-N 2.92Å; Y1075-L1098 HydrophobicContact CD2-CD1 3.84Å
1076L85.1Confident84.9Confident75 Ų7574.8 Ų74.839%0.39341%0.405SS..THydrogen-bonded Turntrans-128-12.1-173.6-63.5171.7000114C1072 L1079 K1097 V1101C1072-L1076 CarbonylContact O-C 3.49Å; C1072-L1076 WeakPolarHBondContact O-CA 3.45Å; C1072-L1076 WeakPolarHBondContact O-CB 3.16Å; C1072-L1076 PolarHBondContact O-N 3.23Å; L1076-L1079 HydrophobicContact CD1-CD1 4.28Å; L1076-K1097 HydrophobicContact CD1-CB 3.98Å; L1076-K1097 WeakPolarHBondContact CD1-O 3.46Å; L1076-V1101 HydrophobicContact CD1-CG2 4.1Å; L1076-V1101 HydrophobicContact CD2-CG2 3.55Å; L1076-V1101 HydrophobicContact CG-CG2 3.76Å
1077G79.5Confident84.5Confident30 Ų3072.2 Ų72.231%0.30940%0.396SS..  trans85.7-174.2-174.200000114.1C1072 Q1073 L1079C1072-G1077 PolarHBondContact O-N 3.27Å; Q1073-G1077 WeakPolarHBondContact CA-O 3.32Å; Q1073-G1077 WeakPolarHBondContact O-CA 3.29Å; Q1073-G1077 PolarHBondContact O-N 2.92Å; G1077-L1079 PolarHBondContact O-N 3.42Å
1078D77.5Confident84.2Confident121 Ų12176 Ų7665%0.64742%0.418SS*.  trans-68.496-171.9-74.8-28.1000113.1Q1073 K1080Q1073-D1078 WeakPolarHBondContact CG-OD1 3.43Å; Q1073-D1078 PolarHBondContact NE2-OD1 2.84Å; D1078-K1080 PolarHBondContact O-N 3.25Å
1079L79.2Confident83.9Confident43 Ų4377.7 Ų77.723%0.22543%0.433CS..  trans-86.498.1171.6-66.3-177.5000110.9C1072 L1076 G1077 L1094 K1097C1072-L1079 HydrophobicContact CB-CD1 3.95Å; C1072-L1079 HydrophobicContact CB-CG 4.49Å; L1076-L1079 HydrophobicContact CD1-CD1 4.28Å; G1077-L1079 PolarHBondContact O-N 3.42Å; L1079-L1094 HydrophobicContact CB-CD2 3.77Å; L1079-L1094 HydrophobicContact CD1-CD2 3.86Å; L1079-L1094 HydrophobicContact CG-CD2 4.48Å; L1079-K1097 HydrophobicContact CD1-CB 4.24Å; L1079-K1097 HydrophobicContact CD1-CD 3.7Å; L1079-K1097 HydrophobicContact CD2-CD 4.34Å
1080K79.8Confident83.8Confident182 Ų18275.9 Ų75.979%0.79142%0.42SS*.PPolyproline II helixtrans-64.2152.3174.7-63.9-174.2179.8-177.70112.3D1078 R1093D1078-K1080 PolarHBondContact O-N 3.25Å; K1080-R1093 PolarHBondContact O-NH2 3.24Å
1081K82.9Confident83.6Confident84 Ų8474 Ų7437%0.36541%0.41SS..PPolyproline II helixtrans-70.7143.9166.5-169171.2179.2-170.60109.8E1085 D1087 F1090K1081-E1085 WeakPolarHBondContact CE-O 3.33Å; K1081-E1085 HydrophobicContact CG-CB 4.17Å; K1081-E1085 PolarHBondContact NZ-O 3.01Å; K1081-E1085 VanDerWaalsContact NZ-O 3.11Å; K1081-D1087 IonicContact NZ-OD1 3.18Å; K1081-D1087 PolarHBondContact NZ-OD1 3Å; K1081-D1087 IonicContact NZ-OD2 3.68Å; K1081-F1090 VanDerWaalsContact CA-CE2 3.5Å; K1081-F1090 HydrophobicContact CB-CD1 4.33Å; K1081-F1090 HydrophobicContact CB-CD2 3.93Å; K1081-F1090 HydrophobicContact CB-CE1 4.23Å; K1081-F1090 HydrophobicContact CB-CE2 3.82Å; K1081-F1090 HydrophobicContact CB-CG 4.19Å; K1081-F1090 HydrophobicContact CB-CZ 3.97Å; K1081-F1090 HydrophobicContact CD-CB 4.28Å; K1081-F1090 HydrophobicContact CD-CD1 4.05Å; K1081-F1090 HydrophobicContact CD-CG 4.09Å; K1081-F1090 HydrophobicContact CG-CB 4.15Å; K1081-F1090 HydrophobicContact CG-CD1 4.16Å; K1081-F1090 HydrophobicContact CG-CD2 3.89Å; K1081-F1090 HydrophobicContact CG-CE2 4.31Å; K1081-F1090 HydrophobicContact CG-CG 3.81Å
1082G79.3Confident83.6Confident34 Ų3476.8 Ų76.835%0.35143%0.432SS..PPolyproline II helixtrans-83.5153.5-18000000112.8G1084 E1085G1082-G1084 PolarHBondContact O-N 2.95Å; G1082-E1085 PolarHBondContact N-OE2 3.29Å; G1082-E1085 VanDerWaalsContact O-CB 3.28Å; G1082-E1085 WeakPolarHBondContact O-CB 3.33Å; G1082-E1085 PolarHBondContact O-N 3.33Å; G1082-E1085 VanDerWaalsContact O-N 3.12Å
1083D68.8Low83.6Confident178 Ų17880.1 Ų80.195%0.95245%0.445SS*.THydrogen-bonded Turntrans-62.9122.1174.5-67.3-45.8000110.4E1085D1083-E1085 VanDerWaalsContact C-N 3.33Å
1084G77.4Confident83.7Confident90 Ų9075 Ų7593%0.92842%0.421SS*.THydrogen-bonded Turntrans80.13.5-176.800000115.8G1082G1082-G1084 PolarHBondContact O-N 2.95Å
1085E85Confident83.9Confident44 Ų4472.2 Ų72.221%0.20641%0.413CS..  trans-74.1137.3175.2-165.6172.7-144.100111K1081 G1082 D1083 A1089 F1090 R1093K1081-E1085 WeakPolarHBondContact CE-O 3.33Å; K1081-E1085 HydrophobicContact CG-CB 4.17Å; K1081-E1085 PolarHBondContact NZ-O 3.01Å; K1081-E1085 VanDerWaalsContact NZ-O 3.11Å; G1082-E1085 PolarHBondContact N-OE2 3.29Å; G1082-E1085 VanDerWaalsContact O-CB 3.28Å; G1082-E1085 WeakPolarHBondContact O-CB 3.33Å; G1082-E1085 PolarHBondContact O-N 3.33Å; G1082-E1085 VanDerWaalsContact O-N 3.12Å; D1083-E1085 VanDerWaalsContact C-N 3.33Å; E1085-A1089 HydrophobicContact CG-CB 3.98Å; E1085-F1090 HydrophobicContact CG-CB 4.05Å; E1085-F1090 WeakPolarHBondContact OE2-CD2 3.28Å; E1085-R1093 IonicContact OE1-CZ 2.71Å; E1085-R1093 IonicContact OE1-NE 2.69Å; E1085-R1093 PolarHBondContact OE1-NE 3.38Å; E1085-R1093 IonicContact OE1-NH2 2.63Å; E1085-R1093 PolarHBondContact OE1-NH2 3.43Å; E1085-R1093 IonicContact OE2-CZ 2.68Å; E1085-R1093 IonicContact OE2-NE 3.69Å; E1085-R1093 IonicContact OE2-NH2 3.57Å; E1085-R1093 PolarHBondContact OE2-NH2 3.38Å
1086D86.9Confident84.1Confident90 Ų9076.9 Ų76.948%0.48144%0.435SS..  trans-84.8167.617075.667.3000111.8N1088 A1089 F1090D1086-N1088 VanDerWaalsContact C-N 3.34Å; D1086-N1088 PolarHBondContact O-N 2.81Å; D1086-N1088 WeakPolarHBondContact OD1-CA 3.23Å; D1086-N1088 WeakPolarHBondContact OD1-CB 3.41Å; D1086-N1088 PolarHBondContact OD1-N 2.91Å; D1086-A1089 PolarHBondContact OD1-N 2.8Å; D1086-F1090 VanDerWaalsContact O-CB 3.3Å; D1086-F1090 WeakPolarHBondContact O-CB 3.35Å; D1086-F1090 PolarHBondContact O-N 3.39Å
1087D83Confident84.4Confident103 Ų10377 Ų7755%0.55143%0.432SS*.Hα-helixtrans-70.7-26.7-175.1-64.2-56000113.9K1081 S1091K1081-D1087 IonicContact NZ-OD1 3.18Å; K1081-D1087 PolarHBondContact NZ-OD1 3Å; K1081-D1087 IonicContact NZ-OD2 3.68Å; D1087-S1091 WeakPolarHBondContact O-CB 3.45Å; D1087-S1091 PolarHBondContact O-N 3.47Å
1088N84.8Confident85Confident132 Ų13275.6 Ų75.671%0.70642%0.417SS*.Hα-helixtrans-76.4-43175.5-64-42.6000110.7D1086 F1090 S1091 A1092D1086-N1088 VanDerWaalsContact C-N 3.34Å; D1086-N1088 PolarHBondContact O-N 2.81Å; D1086-N1088 WeakPolarHBondContact OD1-CA 3.23Å; D1086-N1088 WeakPolarHBondContact OD1-CB 3.41Å; D1086-N1088 PolarHBondContact OD1-N 2.91Å; N1088-F1090 VanDerWaalsContact C-N 3.35Å; N1088-S1091 PolarHBondContact O-N 2.93Å; N1088-A1092 VanDerWaalsContact O-CB 3.31Å; N1088-A1092 WeakPolarHBondContact O-CB 3.33Å; N1088-A1092 PolarHBondContact O-N 3.29Å
1089A86.3Confident85.6Confident40 Ų4074.7 Ų74.733%0.33141%0.41SS..Hα-helixtrans-60-45173.200000111.4E1085 D1086 R1093E1085-A1089 HydrophobicContact CG-CB 3.98Å; D1086-A1089 PolarHBondContact OD1-N 2.8Å; A1089-R1093 WeakPolarHBondContact O-CB 3.3Å; A1089-R1093 PolarHBondContact O-N 3.5Å
1090F88.2Confident86.1Confident21 Ų2178.7 Ų78.79%0.09243%0.428CS..Hα-helixtrans-60.7-49174.8-179.1-129.3000111.8V1069 K1081 E1085 D1086 N1088 A1092 R1093 L1094V1069-F1090 HydrophobicContact CG2-CE1 4.01Å; V1069-F1090 HydrophobicContact CG2-CZ 4.32Å; K1081-F1090 VanDerWaalsContact CA-CE2 3.5Å; K1081-F1090 HydrophobicContact CB-CD1 4.33Å; K1081-F1090 HydrophobicContact CB-CD2 3.93Å; K1081-F1090 HydrophobicContact CB-CE1 4.23Å; K1081-F1090 HydrophobicContact CB-CE2 3.82Å; K1081-F1090 HydrophobicContact CB-CG 4.19Å; K1081-F1090 HydrophobicContact CB-CZ 3.97Å; K1081-F1090 HydrophobicContact CD-CB 4.28Å; K1081-F1090 HydrophobicContact CD-CD1 4.05Å; K1081-F1090 HydrophobicContact CD-CG 4.09Å; K1081-F1090 HydrophobicContact CG-CB 4.15Å; K1081-F1090 HydrophobicContact CG-CD1 4.16Å; K1081-F1090 HydrophobicContact CG-CD2 3.89Å; K1081-F1090 HydrophobicContact CG-CE2 4.31Å; K1081-F1090 HydrophobicContact CG-CG 3.81Å; E1085-F1090 HydrophobicContact CG-CB 4.05Å; E1085-F1090 WeakPolarHBondContact OE2-CD2 3.28Å; D1086-F1090 VanDerWaalsContact O-CB 3.3Å; D1086-F1090 WeakPolarHBondContact O-CB 3.35Å; D1086-F1090 PolarHBondContact O-N 3.39Å; N1088-F1090 VanDerWaalsContact C-N 3.35Å; F1090-A1092 PolarHBondContact O-N 3.22Å; F1090-R1093 PolarHBondContact O-N 3.26Å; F1090-L1094 HydrophobicContact CD1-CD1 4.19Å; F1090-L1094 HydrophobicContact CD2-CD1 4.42Å; F1090-L1094 HydrophobicContact CD2-CG 4.24Å; F1090-L1094 HydrophobicContact CE1-CD1 3.77Å; F1090-L1094 HydrophobicContact CE2-CD1 4.02Å; F1090-L1094 HydrophobicContact CE2-CD2 3.97Å; F1090-L1094 HydrophobicContact CE2-CG 3.96Å; F1090-L1094 HydrophobicContact CZ-CD1 3.69Å; F1090-L1094 HydrophobicContact CZ-CD2 4.2Å; F1090-L1094 HydrophobicContact CZ-CG 4.14Å; F1090-L1094 WeakPolarHBondContact O-CG 3.42Å; F1090-L1094 PolarHBondContact O-N 3.08Å
1091S87.6Confident86.6Confident20 Ų2071.4 Ų71.414%0.1440%0.399CS..Hα-helixtrans-60.9-45.9178.9-1640000112.2T1065 L1068 D1087 N1088 R1093 L1094 L1095T1065-S1091 WeakPolarHBondContact OG1-CB 3.28Å; T1065-S1091 PolarHBondContact OG1-OG 2.92Å; L1068-S1091 WeakPolarHBondContact CD1-OG 3.5Å; D1087-S1091 WeakPolarHBondContact O-CB 3.45Å; D1087-S1091 PolarHBondContact O-N 3.47Å; N1088-S1091 PolarHBondContact O-N 2.93Å; S1091-R1093 VanDerWaalsContact C-N 3.33Å; S1091-R1093 PolarHBondContact O-N 2.91Å; S1091-L1094 PolarHBondContact O-N 3.04Å; S1091-L1095 PolarHBondContact O-N 3.1Å
1092A88.9Confident87.1Confident60 Ų6071.5 Ų71.550%0.49641%0.408SS..Hα-helixtrans-62.3-37.3175.200000112.8N1088 F1090 K1096N1088-A1092 VanDerWaalsContact O-CB 3.31Å; N1088-A1092 WeakPolarHBondContact O-CB 3.33Å; N1088-A1092 PolarHBondContact O-N 3.29Å; F1090-A1092 PolarHBondContact O-N 3.22Å; A1092-K1096 WeakPolarHBondContact O-CB 3.29Å; A1092-K1096 PolarHBondContact O-N 3.29Å
1093R91.5Very high87.7Confident72 Ų7271.5 Ų71.527%0.27240%0.4SS..Hα-helixtrans-67.3-40.2174.2179.2172.661.586.4-20.5112.3K1080 E1085 A1089 F1090 S1091 K1097K1080-R1093 PolarHBondContact O-NH2 3.24Å; E1085-R1093 IonicContact OE1-CZ 2.71Å; E1085-R1093 IonicContact OE1-NE 2.69Å; E1085-R1093 PolarHBondContact OE1-NE 3.38Å; E1085-R1093 IonicContact OE1-NH2 2.63Å; E1085-R1093 PolarHBondContact OE1-NH2 3.43Å; E1085-R1093 IonicContact OE2-CZ 2.68Å; E1085-R1093 IonicContact OE2-NE 3.69Å; E1085-R1093 IonicContact OE2-NH2 3.57Å; E1085-R1093 PolarHBondContact OE2-NH2 3.38Å; A1089-R1093 WeakPolarHBondContact O-CB 3.3Å; A1089-R1093 PolarHBondContact O-N 3.5Å; F1090-R1093 PolarHBondContact O-N 3.26Å; S1091-R1093 VanDerWaalsContact C-N 3.33Å; S1091-R1093 PolarHBondContact O-N 2.91Å; R1093-K1097 PolarHBondContact O-N 3.49Å; R1093-K1097 VanDerWaalsContact O-N 3.1Å
1094L91.3Very high88.6Confident1 Ų163.4 Ų63.41%0.00536%0.358CS..Hα-helixtrans-64.4-47.9174.9-69.2177.7000111.1L1068 V1069 C1072 L1079 F1090 S1091 K1096 K1097 L1098L1068-L1094 HydrophobicContact CB-CB 4.07Å; L1068-L1094 HydrophobicContact CB-CD1 4.26Å; V1069-L1094 HydrophobicContact CB-CD1 4.44Å; V1069-L1094 HydrophobicContact CG2-CD1 3.5Å; V1069-L1094 VanDerWaalsContact CG2-CD1 3.5Å; C1072-L1094 HydrophobicContact CB-CD2 4.15Å; C1072-L1094 PolarHBondContact SG-O 2.81Å; L1079-L1094 HydrophobicContact CB-CD2 3.77Å; L1079-L1094 HydrophobicContact CD1-CD2 3.86Å; L1079-L1094 HydrophobicContact CG-CD2 4.48Å; F1090-L1094 HydrophobicContact CD1-CD1 4.19Å; F1090-L1094 HydrophobicContact CD2-CD1 4.42Å; F1090-L1094 HydrophobicContact CD2-CG 4.24Å; F1090-L1094 HydrophobicContact CE1-CD1 3.77Å; F1090-L1094 HydrophobicContact CE2-CD1 4.02Å; F1090-L1094 HydrophobicContact CE2-CD2 3.97Å; F1090-L1094 HydrophobicContact CE2-CG 3.96Å; F1090-L1094 HydrophobicContact CZ-CD1 3.69Å; F1090-L1094 HydrophobicContact CZ-CD2 4.2Å; F1090-L1094 HydrophobicContact CZ-CG 4.14Å; F1090-L1094 WeakPolarHBondContact O-CG 3.42Å; F1090-L1094 PolarHBondContact O-N 3.08Å; S1091-L1094 PolarHBondContact O-N 3.04Å; L1094-K1096 PolarHBondContact O-N 3.08Å; L1094-K1097 PolarHBondContact O-N 3.22Å; L1094-L1098 WeakPolarHBondContact O-CB 3.31Å; L1094-L1098 PolarHBondContact O-N 2.87Å
1095L92.1Very high89.1Confident47 Ų4767.3 Ų67.325%0.24635%0.352CS..Hα-helixtrans-57-49.5175.8175.458.1000111.4A1060 L1068 S1091 K1097 L1098 M1099A1060-L1095 HydrophobicContact CB-CD1 3.82Å; A1060-L1095 WeakPolarHBondContact O-CD1 3.41Å; L1068-L1095 HydrophobicContact CD1-CB 4.03Å; L1068-L1095 HydrophobicContact CD2-CB 3.97Å; L1068-L1095 HydrophobicContact CD2-CD1 4.06Å; S1091-L1095 PolarHBondContact O-N 3.1Å; L1095-K1097 VanDerWaalsContact C-N 3.31Å; L1095-K1097 PolarHBondContact O-N 3.4Å; L1095-L1098 PolarHBondContact O-N 2.84Å; L1095-L1098 VanDerWaalsContact O-N 3.14Å; L1095-M1099 HydrophobicContact CD1-CG 4.05Å; L1095-M1099 HydrophobicContact CD1-SD 4Å; L1095-M1099 HydrophobicContact CG-SD 4.18Å; L1095-M1099 WeakPolarHBondContact O-CG 3.49Å; L1095-M1099 PolarHBondContact O-N 3.12Å
1096K91.5Very high89.2Confident148 Ų14870.5 Ų70.564%0.64337%0.366SS*.Hα-helixtrans-56.1-45.5178.1-177.1176.5176.4-179.60111.9A1092 L1094 M1099 E1100A1092-K1096 WeakPolarHBondContact O-CB 3.29Å; A1092-K1096 PolarHBondContact O-N 3.29Å; L1094-K1096 PolarHBondContact O-N 3.08Å; K1096-M1099 PolarHBondContact O-N 3.17Å; K1096-E1100 PolarHBondContact O-N 2.8Å
1097K90.6Very high89.2Confident77 Ų7766.6 Ų66.634%0.33535%0.345SS..Hα-helixtrans-67.9-37.6176.6-78.9-164.8162.2-158.30113.2L1076 L1079 R1093 L1094 L1095 M1099 E1100L1076-K1097 HydrophobicContact CD1-CB 3.98Å; L1076-K1097 WeakPolarHBondContact CD1-O 3.46Å; L1079-K1097 HydrophobicContact CD1-CB 4.24Å; L1079-K1097 HydrophobicContact CD1-CD 3.7Å; L1079-K1097 HydrophobicContact CD2-CD 4.34Å; R1093-K1097 PolarHBondContact O-N 3.49Å; R1093-K1097 VanDerWaalsContact O-N 3.1Å; L1094-K1097 PolarHBondContact O-N 3.22Å; L1095-K1097 VanDerWaalsContact C-N 3.31Å; L1095-K1097 PolarHBondContact O-N 3.4Å; K1097-M1099 VanDerWaalsContact C-N 3.26Å; K1097-M1099 PolarHBondContact O-N 2.8Å; K1097-E1100 VanDerWaalsContact O-CB 3.3Å; K1097-E1100 WeakPolarHBondContact O-CB 3.24Å; K1097-E1100 PolarHBondContact O-N 3.28Å; K1097-E1100 VanDerWaalsContact O-N 3.08Å
1098L92.1Very high89.2Confident0 Ų064.4 Ų64.40%034%0.336CS..Hα-helixtrans-64-33.6176.4-176.560.1000111.8R973 A1060 Y1063 L1068 A1071 Y1075 L1094 L1095 E1100 V1101R973-L1098 PolarHBondContact NH1-O 3.23Å; R973-L1098 PolarHBondContact NH2-O 3.31Å; A1060-L1098 HydrophobicContact CB-CD2 3.85Å; A1060-L1098 HydrophobicContact CB-CG 4.42Å; Y1063-L1098 HydrophobicContact CD2-CD2 4Å; Y1063-L1098 HydrophobicContact CE2-CD2 4.03Å; L1068-L1098 HydrophobicContact CD2-CD2 3.79Å; A1071-L1098 HydrophobicContact CB-CD1 3.96Å; A1071-L1098 HydrophobicContact CB-CD2 3.62Å; A1071-L1098 HydrophobicContact CB-CG 4.47Å; Y1075-L1098 HydrophobicContact CD2-CD1 3.84Å; L1094-L1098 WeakPolarHBondContact O-CB 3.31Å; L1094-L1098 PolarHBondContact O-N 2.87Å; L1095-L1098 PolarHBondContact O-N 2.84Å; L1095-L1098 VanDerWaalsContact O-N 3.14Å; L1098-E1100 VanDerWaalsContact C-N 3.27Å; L1098-E1100 PolarHBondContact O-N 3.36Å; L1098-V1101 WeakPolarHBondContact O-CB 3.48Å; L1098-V1101 PolarHBondContact O-N 3.47Å; L1098-V1101 VanDerWaalsContact O-N 3.12Å
1099M90.8Very high89.1Confident102 Ų10261.1 Ų61.150%0.50231%0.314SS..THydrogen-bonded Turntrans-72.3-14.6173.8-65.7-179.379.100113.8L1095 K1096 K1097L1095-M1099 HydrophobicContact CD1-CG 4.05Å; L1095-M1099 HydrophobicContact CD1-SD 4Å; L1095-M1099 HydrophobicContact CG-SD 4.18Å; L1095-M1099 WeakPolarHBondContact O-CG 3.49Å; L1095-M1099 PolarHBondContact O-N 3.12Å; K1096-M1099 PolarHBondContact O-N 3.17Å; K1097-M1099 VanDerWaalsContact C-N 3.26Å; K1097-M1099 PolarHBondContact O-N 2.8Å
1100E90.5Very high88.1Confident127 Ų12763.2 Ų63.259%0.59333%0.326SS*.THydrogen-bonded Turntrans-72.3-19.5168.1-62163.7-176.400111.4K1096 K1097 L1098K1096-E1100 PolarHBondContact O-N 2.8Å; K1097-E1100 VanDerWaalsContact O-CB 3.3Å; K1097-E1100 WeakPolarHBondContact O-CB 3.24Å; K1097-E1100 PolarHBondContact O-N 3.28Å; K1097-E1100 VanDerWaalsContact O-N 3.08Å; L1098-E1100 VanDerWaalsContact C-N 3.27Å; L1098-E1100 PolarHBondContact O-N 3.36Å
1101V90.2Very high86Confident29 Ų2975 Ų7518%0.17638%0.378CS..SBendtrans-85.2124.6169.9-174.30000108.8R973 L1076 L1098R973-V1101 VanDerWaalsContact CZ-O 3.31Å; R973-V1101 PolarHBondContact NH1-O 2.96Å; R973-V1101 PolarHBondContact NH2-O 3.11Å; L1076-V1101 HydrophobicContact CD1-CG2 4.1Å; L1076-V1101 HydrophobicContact CD2-CG2 3.55Å; L1076-V1101 HydrophobicContact CG-CG2 3.76Å; L1098-V1101 WeakPolarHBondContact O-CB 3.48Å; L1098-V1101 PolarHBondContact O-N 3.47Å; L1098-V1101 VanDerWaalsContact O-N 3.12Å
1102P91.8Very high86Confident87 Ų8777.8 Ų77.857%0.56539%0.39SS*.PPolyproline II helixtrans-65.4159.5179.727.5-35.1000112.9
1103L92.7Very high85.8Confident33 Ų3378.7 Ų78.717%0.17338%0.384CS..PPolyproline II helixtrans-68.2168.3164.1-64.9-173.2000110.8R973 D974 S1056 D1058 E1105R973-L1103 HydrophobicContact CG-CD2 3.87Å; D974-L1103 HydrophobicContact CB-CD2 4.1Å; S1056-L1103 WeakPolarHBondContact O-CD1 3.3Å; D1058-L1103 HydrophobicContact CB-CD1 4.16Å; D1058-L1103 HydrophobicContact CB-CD2 4.13Å; D1058-L1103 HydrophobicContact CB-CG 4.5Å; L1103-E1105 PolarHBondContact O-N 3.23Å
1104G88.6Confident85.5Confident8 Ų879.1 Ų79.18%0.08239%0.39CS..  trans-60.7106.7-174.500000114.3D974 K1106 V1107 R1109D974-G1104 PolarHBondContact OD1-N 2.73Å; D974-G1104 PolarHBondContact OD2-N 3.35Å; G1104-K1106 PolarHBondContact O-N 3.48Å; G1104-V1107 WeakPolarHBondContact O-CB 3.35Å; G1104-V1107 PolarHBondContact O-N 2.8Å; G1104-V1107 VanDerWaalsContact O-N 3.12Å; G1104-R1109 PolarHBondContact O-NH2 3.35Å
1105E86.6Confident85.2Confident172 Ų17283.7 Ų83.780%0.80441%0.413SS*.THydrogen-bonded Turntrans-57.5-30.7178.3-61178.3163.400113.7L1103L1103-E1105 PolarHBondContact O-N 3.23Å
1106K87.2Confident84.7Confident111 Ų11186 Ų8648%0.48342%0.423SS..THydrogen-bonded Turntrans-990.2-177.8-56-177.9-168.8164.80113.7C948 N949 G1104C948-K1106 WeakPolarHBondContact O-CB 3.35Å; N949-K1106 HydrophobicContact CB-CB 4.03Å; N949-K1106 WeakPolarHBondContact CB-O 3.27Å; N949-K1106 PolarHBondContact ND2-O 2.78Å; G1104-K1106 PolarHBondContact O-N 3.48Å
1107V88Confident84.3Confident9 Ų981.9 Ų81.96%0.05541%0.409CS..SBendtrans-67.9133.3172.7177.60000108.2C948 P972 N1053 G1104 R1109C948-V1107 HydrophobicContact CB-CG2 3.59Å; P972-V1107 HydrophobicContact CG-CG2 4.01Å; N1053-V1107 HydrophobicContact CB-CG1 3.85Å; N1053-V1107 VanDerWaalsContact CG-CG1 3.5Å; N1053-V1107 WeakPolarHBondContact OD1-CG1 3.27Å; G1104-V1107 WeakPolarHBondContact O-CB 3.35Å; G1104-V1107 PolarHBondContact O-N 2.8Å; G1104-V1107 VanDerWaalsContact O-N 3.12Å; V1107-R1109 WeakPolarHBondContact O-CG 3.33Å
1108P81.4Confident83.8Confident56 Ų5682.2 Ų82.236%0.36441%0.414SS..  trans-61.4136.7174.1-21.133.3000111.1
1109R82.7Confident83.2Confident64 Ų6488.5 Ų88.524%0.24245%0.446CS..  trans-143.7161175.7-42.5-169.1-174.6-79.4-4.2109.6D974 N1053 S1056 G1104 V1107D974-R1109 IonicContact OD2-CZ 3.62Å; D974-R1109 IonicContact OD2-NH1 2.58Å; D974-R1109 PolarHBondContact OD2-NH1 2.9Å; D974-R1109 IonicContact OD2-NH2 3.48Å; D974-R1109 PolarHBondContact OD2-NH2 3.22Å; N1053-R1109 WeakPolarHBondContact O-CD 3.37Å; N1053-R1109 VanDerWaalsContact O-CG 3.26Å; N1053-R1109 WeakPolarHBondContact O-CG 3.44Å; N1053-R1109 PolarHBondContact O-NH1 2.91Å; N1053-R1109 PolarHBondContact OD1-NH1 2.69Å; S1056-R1109 VanDerWaalsContact OG-CD 3.27Å; S1056-R1109 WeakPolarHBondContact OG-CD 3.45Å; G1104-R1109 PolarHBondContact O-NH2 3.35Å; V1107-R1109 WeakPolarHBondContact O-CG 3.33Å
1110S67.1Low82.6Confident84 Ų8487.4 Ų87.459%0.58744%0.441SS*.  trans-56.6148.3158.7-1630000110.2D1054D1054-S1110 PolarHBondContact OD1-N 2.92Å
1111K44Very low81.8Confident269 Ų26983.8 Ų83.8100%1.1743%0.427SS*.  trans-96.60156.5-75.5-167.1170.6-170.50110.3

Retrieved 1,111 of 1,111 residues in 3062 ms (Link to these results)

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