A0A087WSR7_MOUSE Loading...

Arf-GAP domain and FG repeat-containing protein 1

Required for vesicle docking or fusion during acrosome biogenesis. May play a role in RNA trafficking or localization.

AlphaFold DB , UniProt , Accession A0A087WSR7, Species MOUSE (Mus musculus, Mouse), Gene Agfg1, Length 537 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
1M71.3Confident87.9Confident218 Ų218116.8 Ų116.8100%1.07462%0.622SS**  0-59.40-75.9-174.3-92.200113.6A3 S4 A5M1-A3 PolarHBondContact O-N 3.49Å; M1-A3 VanDerWaalsContact O-N 3.09Å; M1-S4 WeakPolarHBondContact O-CB 2.8Å; M1-S4 PolarHBondContact O-N 2.8Å; M1-A5 PolarHBondContact O-N 3.46Å
2A77.6Confident88.5Confident83 Ų83117 Ų11769%0.68661%0.613SS**Hα-helixtrans-45-45.5-170.500000116.6S4 A5 K6A2-S4 VanDerWaalsContact C-N 3.28Å; A2-S4 PolarHBondContact O-N 2.72Å; A2-A5 PolarHBondContact O-N 2.99Å; A2-A5 VanDerWaalsContact O-N 3.17Å; A2-K6 PolarHBondContact O-N 3.03Å
3A84.1Confident89Confident84 Ų84108.8 Ų108.869%0.69457%0.569SS**Hα-helixtrans-60.7-32.7178.600000114.1M1 R7M1-A3 PolarHBondContact O-N 3.49Å; M1-A3 VanDerWaalsContact O-N 3.09Å; A3-R7 PolarHBondContact O-N 3.48Å
4S89.2Confident89.2Confident90 Ų90105.6 Ų105.663%0.62955%0.553SS**Hα-helixtrans-71.3-41.4175.5-178.30000111.5M1 A2 K6 R7 K8M1-S4 WeakPolarHBondContact O-CB 2.8Å; M1-S4 PolarHBondContact O-N 2.8Å; A2-S4 VanDerWaalsContact C-N 3.28Å; A2-S4 PolarHBondContact O-N 2.72Å; S4-K6 PolarHBondContact O-N 2.81Å; S4-R7 PolarHBondContact O-N 2.8Å; S4-K8 WeakPolarHBondContact O-CB 3.4Å; S4-K8 PolarHBondContact O-N 3.45Å
5A91Very high89.6Confident65 Ų65107.5 Ų107.554%0.53756%0.555SS.*Hα-helixtrans-61.3-43.5174.200000111.7M1 A2 K8 Q9M1-A5 PolarHBondContact O-N 3.46Å; A2-A5 PolarHBondContact O-N 2.99Å; A2-A5 VanDerWaalsContact O-N 3.17Å; A5-K8 PolarHBondContact O-N 2.83Å; A5-Q9 PolarHBondContact O-N 3.35Å
6K90.9Very high90Very high119 Ų119102.5 Ų102.552%0.51753%0.529SS..Hα-helixtrans-57.5-51.6173.4-177.5179.2173.8-71.60111.4A2 S4 K8 Q9 E10A2-K6 PolarHBondContact O-N 3.03Å; S4-K6 PolarHBondContact O-N 2.81Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.44Å; K6-Q9 WeakPolarHBondContact O-CB 3.35Å; K6-Q9 PolarHBondContact O-N 3.5Å; K6-Q9 VanDerWaalsContact O-N 3.09Å; K6-E10 HydrophobicContact CG-CG 4.48Å; K6-E10 IonicContact NZ-OE1 3.58Å; K6-E10 PolarHBondContact NZ-OE1 3.38Å; K6-E10 IonicContact NZ-OE2 3.73Å; K6-E10 PolarHBondContact NZ-OE2 3.05Å; K6-E10 WeakPolarHBondContact O-CG 3.14Å; K6-E10 PolarHBondContact O-N 3.38Å
7R90.8Very high90.2Very high190 Ų19096.6 Ų96.672%0.71750%0.498SS*.Hα-helixtrans-58.8-42.8178.9-175176.2176.7173.30.2112.4A3 S4 Q9 E10 E11A3-R7 PolarHBondContact O-N 3.48Å; S4-R7 PolarHBondContact O-N 2.8Å; R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 3.04Å; R7-E10 PolarHBondContact O-N 3.09Å; R7-E11 WeakPolarHBondContact O-CB 3.3Å; R7-E11 PolarHBondContact O-N 3.48Å
8K93.3Very high90.4Very high163 Ų163101.1 Ų101.171%0.70951%0.508SS*.Hα-helixtrans-62.6-35.8176.1-174.5174.9-178.6176.40112.4S4 A5 K6 K12S4-K8 WeakPolarHBondContact O-CB 3.4Å; S4-K8 PolarHBondContact O-N 3.45Å; A5-K8 PolarHBondContact O-N 2.83Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.44Å; K8-K12 PolarHBondContact O-N 3.37Å; K8-K12 VanDerWaalsContact O-N 3.12Å
9Q92.9Very high90.6Very high98 Ų98100.6 Ų100.646%0.45851%0.507SS..Hα-helixtrans-70.2-43.8174-179.5172.78.300112A5 K6 R7 E11 K12 H13A5-Q9 PolarHBondContact O-N 3.35Å; K6-Q9 WeakPolarHBondContact O-CB 3.35Å; K6-Q9 PolarHBondContact O-N 3.5Å; K6-Q9 VanDerWaalsContact O-N 3.09Å; R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 3.04Å; Q9-E11 VanDerWaalsContact C-N 3.31Å; Q9-E11 PolarHBondContact O-N 3.02Å; Q9-K12 WeakPolarHBondContact O-CB 3.35Å; Q9-K12 PolarHBondContact O-N 3.13Å; Q9-K12 VanDerWaalsContact O-N 3.16Å; Q9-H13 WeakPolarHBondContact CG-NE2 3.5Å; Q9-H13 PolarHBondContact NE2-CE1 2.9Å; Q9-H13 VanDerWaalsContact NE2-CE1 3.34Å; Q9-H13 PolarHBondContact NE2-NE2 3.03Å; Q9-H13 VanDerWaalsContact NE2-NE2 3.12Å; Q9-H13 PolarHBondContact O-CD2 3.24Å; Q9-H13 VanDerWaalsContact O-CD2 3.23Å; Q9-H13 PolarHBondContact O-N 2.95Å
10E92.6Very high90.9Very high42 Ų4296.2 Ų96.220%0.19649%0.485CS..Hα-helixtrans-60.5-40.9176.9-68.4175.4127.300111.5K6 R7 H13 L14 T72K6-E10 HydrophobicContact CG-CG 4.48Å; K6-E10 IonicContact NZ-OE1 3.58Å; K6-E10 PolarHBondContact NZ-OE1 3.38Å; K6-E10 IonicContact NZ-OE2 3.73Å; K6-E10 PolarHBondContact NZ-OE2 3.05Å; K6-E10 WeakPolarHBondContact O-CG 3.14Å; K6-E10 PolarHBondContact O-N 3.38Å; R7-E10 PolarHBondContact O-N 3.09Å; E10-H13 PolarHBondContact O-N 3.47Å; E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 2.69Å; E10-T72 HydrophobicContact CG-CG2 3.96Å; E10-T72 WeakPolarHBondContact OE1-CG2 3.22Å; E10-T72 PolarHBondContact OE1-OG1 3.05Å
11E93.4Very high91Very high133 Ų13393.4 Ų93.462%0.62147%0.473SS*.Hα-helixtrans-63-42.2173.2-170.7177.316700112.5R7 Q9 H13 L14 K15R7-E11 WeakPolarHBondContact O-CB 3.3Å; R7-E11 PolarHBondContact O-N 3.48Å; Q9-E11 VanDerWaalsContact C-N 3.31Å; Q9-E11 PolarHBondContact O-N 3.02Å; E11-H13 PolarHBondContact O-N 3.04Å; E11-L14 PolarHBondContact O-N 3.49Å; E11-K15 PolarHBondContact O-N 3.4Å
12K95.1Very high92.1Very high119 Ų11984.6 Ų84.652%0.51744%0.437SS..Hα-helixtrans-60.3-43.7173.1-168.9-156.3173-165.50111.5K8 Q9 K15 M16K8-K12 PolarHBondContact O-N 3.37Å; K8-K12 VanDerWaalsContact O-N 3.12Å; Q9-K12 WeakPolarHBondContact O-CB 3.35Å; Q9-K12 PolarHBondContact O-N 3.13Å; Q9-K12 VanDerWaalsContact O-N 3.16Å; K12-K15 PolarHBondContact O-N 3.47Å; K12-M16 HydrophobicContact CD-CE 4.07Å; K12-M16 HydrophobicContact CG-CE 4.06Å; K12-M16 WeakPolarHBondContact O-CG 3.39Å; K12-M16 PolarHBondContact O-N 2.97Å
13H95.1Very high92.9Very high10 Ų1084.7 Ų84.75%0.04643%0.426CS..Hα-helixtrans-63.1-44.1177.3-65-179.8000111.4Q9 E10 E11 K15 M16 L17 F73 Q75 I78Q9-H13 WeakPolarHBondContact CG-NE2 3.5Å; Q9-H13 PolarHBondContact NE2-CE1 2.9Å; Q9-H13 VanDerWaalsContact NE2-CE1 3.34Å; Q9-H13 PolarHBondContact NE2-NE2 3.03Å; Q9-H13 VanDerWaalsContact NE2-NE2 3.12Å; Q9-H13 PolarHBondContact O-CD2 3.24Å; Q9-H13 VanDerWaalsContact O-CD2 3.23Å; Q9-H13 PolarHBondContact O-N 2.95Å; E10-H13 PolarHBondContact O-N 3.47Å; E11-H13 PolarHBondContact O-N 3.04Å; H13-K15 VanDerWaalsContact C-N 3.35Å; H13-K15 PolarHBondContact O-N 3.29Å; H13-M16 PolarHBondContact O-N 3.04Å; H13-L17 WeakPolarHBondContact O-CB 3.4Å; H13-L17 PolarHBondContact O-N 3.36Å; H13-F73 PolarHBondContact ND1-O 3.47Å; H13-Q75 PolarHBondContact CE1-N 3.28Å; H13-Q75 VanDerWaalsContact CE1-N 3.27Å; H13-Q75 PolarHBondContact NE2-OE1 3.01Å; H13-I78 HydrophobicContact CB-CD1 4.33Å; H13-I78 HydrophobicContact CB-CG1 3.97Å
14L92.2Very high93.4Very high65 Ų6585 Ų8534%0.3442%0.421SS..Hα-helixtrans-64.7-35.4176.6-72.3170.8000112.6E10 E11 R18E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 2.69Å; E11-L14 PolarHBondContact O-N 3.49Å; L14-R18 WeakPolarHBondContact O-CG 3.46Å; L14-R18 PolarHBondContact O-N 2.91Å
15K94.5Very high93.6Very high133 Ų13385 Ų8558%0.57841%0.411SS*.Hα-helixtrans-62.3-54.9171.2177.6164.7180170.30111.1E11 K12 H13 L17 R18 D19E11-K15 PolarHBondContact O-N 3.4Å; K12-K15 PolarHBondContact O-N 3.47Å; H13-K15 VanDerWaalsContact C-N 3.35Å; H13-K15 PolarHBondContact O-N 3.29Å; K15-L17 PolarHBondContact O-N 3.04Å; K15-L17 VanDerWaalsContact O-N 3.17Å; K15-R18 WeakPolarHBondContact O-CB 3.38Å; K15-R18 PolarHBondContact O-N 3.39Å; K15-D19 WeakPolarHBondContact CG-OD2 3.42Å; K15-D19 PolarHBondContact O-N 2.96Å
16M95.4Very high93.8Very high28 Ų2882.2 Ų82.214%0.13839%0.387CS..Hα-helixtrans-57.4-33.8178.9-68.1-176.3-65.300112.6K12 H13 M20 I78K12-M16 HydrophobicContact CD-CE 4.07Å; K12-M16 HydrophobicContact CG-CE 4.06Å; K12-M16 WeakPolarHBondContact O-CG 3.39Å; K12-M16 PolarHBondContact O-N 2.97Å; H13-M16 PolarHBondContact O-N 3.04Å; M16-M20 WeakPolarHBondContact O-CG 3.36Å; M16-M20 PolarHBondContact O-N 3.16Å; M16-M20 VanDerWaalsContact O-N 3.1Å; M16-I78 HydrophobicContact CB-CG2 3.86Å; M16-I78 HydrophobicContact CE-CG2 3.98Å; M16-I78 HydrophobicContact SD-CG2 4.33Å
17L94.8Very high94.1Very high2 Ų284.1 Ų84.11%0.0139%0.391CS..Hα-helixtrans-68.9-41.8174.7-173.359000112.7H13 K15 M20 T21 V40 F47 I68 F73 I78 L81H13-L17 WeakPolarHBondContact O-CB 3.4Å; H13-L17 PolarHBondContact O-N 3.36Å; K15-L17 PolarHBondContact O-N 3.04Å; K15-L17 VanDerWaalsContact O-N 3.17Å; L17-M20 HydrophobicContact CD1-CE 3.88Å; L17-M20 PolarHBondContact O-N 3.32Å; L17-T21 PolarHBondContact O-N 3.35Å; L17-T21 PolarHBondContact O-OG1 2.91Å; L17-V40 HydrophobicContact CD1-CG1 4.44Å; L17-F47 HydrophobicContact CD1-CE1 3.92Å; L17-F47 HydrophobicContact CD1-CZ 4.33Å; L17-I68 HydrophobicContact CD2-CB 4.43Å; L17-I68 HydrophobicContact CD2-CG2 3.89Å; L17-I68 HydrophobicContact CG-CG2 4.15Å; L17-F73 HydrophobicContact CD2-CD2 3.65Å; L17-F73 HydrophobicContact CD2-CE2 3.4Å; L17-F73 HydrophobicContact CD2-CG 4.49Å; L17-F73 HydrophobicContact CD2-CZ 4.06Å; L17-I78 HydrophobicContact CB-CD1 4.07Å; L17-I78 HydrophobicContact CD1-CD1 4.49Å; L17-L81 HydrophobicContact CD1-CD1 4.12Å
18R92.8Very high94.3Very high177 Ų17778.9 Ų78.967%0.66837%0.373SS*.Hα-helixtrans-61.8-45.8173.1-71.9171.6-171.3166.24111.4L14 K15 M20 T21 G22L14-R18 WeakPolarHBondContact O-CG 3.46Å; L14-R18 PolarHBondContact O-N 2.91Å; K15-R18 WeakPolarHBondContact O-CB 3.38Å; K15-R18 PolarHBondContact O-N 3.39Å; R18-M20 VanDerWaalsContact C-N 3.28Å; R18-M20 PolarHBondContact O-N 3.48Å; R18-T21 WeakPolarHBondContact CA-OG1 3.25Å; R18-T21 PolarHBondContact O-N 3.23Å; R18-T21 VanDerWaalsContact O-N 3.08Å; R18-T21 PolarHBondContact O-OG1 3.29Å; R18-G22 PolarHBondContact O-N 3.16Å
19D94.9Very high94.4Very high93 Ų9371.3 Ų71.350%0.49734%0.34SS..Hα-helixtrans-56.9-44178.6-58-28000110.3K15 G22K15-D19 WeakPolarHBondContact CG-OD2 3.42Å; K15-D19 PolarHBondContact O-N 2.96Å; D19-G22 PolarHBondContact O-N 3.45Å
20M95.3Very high94.6Very high12 Ų1267.6 Ų67.66%0.05932%0.323CS..Hα-helixtrans-62.5-44.5172.4-74.3-172.5-72.400113.7M16 L17 R18 G22 L23 N26 F47 I78 L81 Q82M16-M20 WeakPolarHBondContact O-CG 3.36Å; M16-M20 PolarHBondContact O-N 3.16Å; M16-M20 VanDerWaalsContact O-N 3.1Å; L17-M20 HydrophobicContact CD1-CE 3.88Å; L17-M20 PolarHBondContact O-N 3.32Å; R18-M20 VanDerWaalsContact C-N 3.28Å; R18-M20 PolarHBondContact O-N 3.48Å; M20-G22 PolarHBondContact O-N 3.12Å; M20-L23 WeakPolarHBondContact O-CB 3.46Å; M20-L23 WeakPolarHBondContact O-CG 3.5Å; M20-L23 PolarHBondContact O-N 3.42Å; M20-N26 VanDerWaalsContact O-CB 3.28Å; M20-N26 WeakPolarHBondContact O-CB 3.42Å; M20-N26 PolarHBondContact O-ND2 3.36Å; M20-F47 HydrophobicContact CB-CZ 3.79Å; M20-F47 HydrophobicContact SD-CZ 4.32Å; M20-I78 HydrophobicContact CE-CD1 4.36Å; M20-I78 HydrophobicContact CE-CG2 4Å; M20-L81 HydrophobicContact CE-CB 3.77Å; M20-L81 HydrophobicContact CE-CD1 4.42Å; M20-L81 VanDerWaalsContact SD-C 3.57Å; M20-L81 HydrophobicContact SD-CB 3.73Å; M20-Q82 HydrophobicContact CE-CG 4.09Å; M20-Q82 HydrophobicContact CG-CG 4.12Å; M20-Q82 HydrophobicContact SD-CB 4.12Å; M20-Q82 HydrophobicContact SD-CG 3.4Å; M20-Q82 WeakPolarHBondContact SD-CG 3.23Å; M20-Q82 PolarHBondContact SD-N 3.27Å; M20-Q82 VanDerWaalsContact SD-N 3.4Å
21T94.2Very high94.6Very high38 Ų3865.8 Ų65.823%0.23332%0.315CS..Hα-helixtrans-65.2-20.2176.156.90000113.4L17 R18 L23 F47 I68L17-T21 PolarHBondContact O-N 3.35Å; L17-T21 PolarHBondContact O-OG1 2.91Å; R18-T21 WeakPolarHBondContact CA-OG1 3.25Å; R18-T21 PolarHBondContact O-N 3.23Å; R18-T21 VanDerWaalsContact O-N 3.08Å; R18-T21 PolarHBondContact O-OG1 3.29Å; T21-L23 VanDerWaalsContact C-N 3.33Å; T21-F47 HydrophobicContact CG2-CD1 3.72Å; T21-F47 HydrophobicContact CG2-CE1 3.55Å; T21-I68 HydrophobicContact CG2-CD1 4.04Å
22G93.6Very high94.5Very high32 Ų3259.8 Ų59.833%0.3329%0.287SS..THydrogen-bonded Turntrans-73.2-19.6175.300000114.3R18 D19 M20 R27R18-G22 PolarHBondContact O-N 3.16Å; D19-G22 PolarHBondContact O-N 3.45Å; M20-G22 PolarHBondContact O-N 3.12Å; G22-R27 VanDerWaalsContact O-CZ 3.28Å; G22-R27 PolarHBondContact O-NE 3.34Å; G22-R27 PolarHBondContact O-NH2 2.78Å
23L94.8Very high94.3Very high86 Ų8658.7 Ų58.745%0.4529%0.287SS..SBendtrans-64.7141.3178.6-62.7175000111.2M20 T21 H25 N26 R27M20-L23 WeakPolarHBondContact O-CB 3.46Å; M20-L23 WeakPolarHBondContact O-CG 3.5Å; M20-L23 PolarHBondContact O-N 3.42Å; T21-L23 VanDerWaalsContact C-N 3.33Å; L23-H25 VanDerWaalsContact C-N 3.32Å; L23-H25 PolarHBondContact O-N 3.11Å; L23-N26 HydrophobicContact CB-CB 4.37Å; L23-N26 PolarHBondContact O-N 3.43Å; L23-R27 PolarHBondContact O-N 3.09Å
24P93.8Very high94.1Very high90 Ų9062.7 Ų62.758%0.58431%0.306SS*.G310 helixtrans-56-43.4-170.221.4-33.2000113.1N26 R27P24-N26 VanDerWaalsContact C-N 3.29Å; P24-N26 PolarHBondContact O-N 3.02Å; P24-R27 PolarHBondContact O-N 3.23Å
25H93.8Very high94.2Very high91 Ų9170.3 Ų70.342%0.42133%0.33SS..G310 helixtrans-66.9-26.3178.5-54.8124000113.6L23 N86 E87L23-H25 VanDerWaalsContact C-N 3.32Å; L23-H25 PolarHBondContact O-N 3.11Å; H25-N86 HydrophobicContact CB-CB 4.31Å; H25-N86 VanDerWaalsContact O-CB 3.23Å; H25-N86 WeakPolarHBondContact O-CB 3.22Å; H25-N86 PolarHBondContact O-ND2 3.25Å; H25-E87 HydrophobicContact CB-CB 4Å; H25-E87 IonicContact CE1-OE1 2.64Å; H25-E87 PolarHBondContact CE1-OE1 2.8Å; H25-E87 IonicContact CE1-OE2 3.37Å; H25-E87 PolarHBondContact CE1-OE2 3.37Å; H25-E87 IonicContact CG-OE2 3.05Å; H25-E87 IonicContact ND1-OE1 2.84Å; H25-E87 IonicContact ND1-OE2 2.77Å; H25-E87 PolarHBondContact ND1-OE2 2.86Å
26N96.5Very high94.1Very high6 Ų666.2 Ų66.23%0.03233%0.325CS..G310 helixtrans-92.8-3.6-179.8-63.3-23.3000113.5M20 L23 P24 K28 P37 F47 N86M20-N26 VanDerWaalsContact O-CB 3.28Å; M20-N26 WeakPolarHBondContact O-CB 3.42Å; M20-N26 PolarHBondContact O-ND2 3.36Å; L23-N26 HydrophobicContact CB-CB 4.37Å; L23-N26 PolarHBondContact O-N 3.43Å; P24-N26 VanDerWaalsContact C-N 3.29Å; P24-N26 PolarHBondContact O-N 3.02Å; N26-K28 PolarHBondContact O-N 2.92Å; N26-P37 WeakPolarHBondContact O-CG 3.49Å; N26-F47 HydrophobicContact CB-CD2 3.99Å; N26-F47 HydrophobicContact CB-CE2 4.36Å; N26-F47 HydrophobicContact CB-CG 4.24Å; N26-F47 VanDerWaalsContact CG-CD2 3.49Å; N26-F47 WeakPolarHBondContact OD1-CD2 3.4Å; N26-N86 WeakPolarHBondContact OD1-CB 3.48Å; N26-N86 PolarHBondContact OD1-N 3.27Å
27R95.7Very high94.1Very high159 Ų15965.6 Ų65.660%0.632%0.324SS*.G310 helixtrans-73.5-8175-69.7178.3-171.3-156-0.3113.8G22 L23 P24 R35 G36G22-R27 VanDerWaalsContact O-CZ 3.28Å; G22-R27 PolarHBondContact O-NE 3.34Å; G22-R27 PolarHBondContact O-NH2 2.78Å; L23-R27 PolarHBondContact O-N 3.09Å; P24-R27 PolarHBondContact O-N 3.23Å; R27-R35 WeakPolarHBondContact O-CA 3.23Å; R27-G36 PolarHBondContact O-N 3.12Å
28K95.6Very high94.2Very high80 Ų8068.2 Ų68.235%0.34834%0.34SS..BIsolated β-bridgetrans-125.6155.1-178.9-59.5-172.1-177.7-173.20111.1N26 D33 Q34 N86N26-K28 PolarHBondContact O-N 2.92Å; K28-D33 VanDerWaalsContact CD-CG 3.44Å; K28-D33 WeakPolarHBondContact CD-O 3.4Å; K28-D33 WeakPolarHBondContact CD-OD1 3.46Å; K28-D33 IonicContact NZ-OD1 2.88Å; K28-D33 PolarHBondContact NZ-OD1 3.48Å; K28-D33 IonicContact NZ-OD2 2.66Å; K28-D33 PolarHBondContact NZ-OD2 3.42Å; K28-Q34 CarbonylContact C-O 3.49Å; K28-Q34 WeakPolarHBondContact CA-O 3.47Å; K28-N86 PolarHBondContact O-ND2 2.96Å
29C95.8Very high94.4Very high3 Ų362 Ų622%0.0232%0.317CS..  trans-67.1127.8172.5-179.20000111D31 C32 D33 Q34 V48 C49C29-D31 PolarHBondContact O-N 3.38Å; C29-D31 VanDerWaalsContact O-N 3.13Å; C29-C32 VanDerWaalsContact CB-SG 3.56Å; C29-C32 PolarHBondContact O-N 3.38Å; C29-C32 PolarHBondContact SG-SG 2.96Å; C29-D33 WeakPolarHBondContact O-CA 3.29Å; C29-D33 PolarHBondContact O-N 3.05Å; C29-Q34 PolarHBondContact N-O 2.91Å; C29-V48 VanDerWaalsContact SG-CA 3.57Å; C29-C49 HydrophobicContact CB-CB 4.08Å; C29-C49 PolarHBondContact SG-N 3.45Å
30F95.8Very high94.5Very high20 Ų2057.6 Ų57.69%0.08829%0.293CS..THydrogen-bonded Turntrans-63.2-18.2-179-175.6-116.3000115.1F47 V48 N86 C89 K90 W93 L94 K120 Y121F30-F47 WeakPolarHBondContact CB-O 3.39Å; F30-F47 PolarHBondContact N-O 3.48Å; F30-V48 HydrophobicContact CB-CG1 4.22Å; F30-N86 HydrophobicContact CD2-CB 4.06Å; F30-C89 HydrophobicContact CD1-CB 4.35Å; F30-C89 HydrophobicContact CD2-CB 4.18Å; F30-C89 HydrophobicContact CE1-CB 3.87Å; F30-C89 HydrophobicContact CE2-CB 3.72Å; F30-C89 HydrophobicContact CZ-CB 3.56Å; F30-C89 WeakPolarHBondContact CZ-O 3.45Å; F30-K90 HydrophobicContact CE2-CB 4.08Å; F30-W93 HydrophobicContact CE1-CB 4.25Å; F30-W93 HydrophobicContact CZ-CB 4.1Å; F30-L94 HydrophobicContact CE2-CD1 4.2Å; F30-L94 HydrophobicContact CZ-CD1 4.21Å; F30-L94 HydrophobicContact CZ-CG 4.49Å; F30-K120 VanDerWaalsContact CE1-CE 3.46Å; F30-K120 PolarHBondContact O-NZ 2.91Å; F30-Y121 WeakPolarHBondContact CD1-OH 3.29Å; F30-Y121 VanDerWaalsContact CE1-OH 3.23Å; F30-Y121 WeakPolarHBondContact CE1-OH 3.21Å
31D93.6Very high94.7Very high5 Ų557 Ų573%0.02729%0.29CS..THydrogen-bonded Turntrans-110.8-18.7-175.4-63.6-49.2000114.2C29 V48 C52 F107 L117 K120 Y121C29-D31 PolarHBondContact O-N 3.38Å; C29-D31 VanDerWaalsContact O-N 3.13Å; D31-V48 WeakPolarHBondContact OD2-CG1 3.33Å; D31-C52 HydrophobicContact CB-CB 4.14Å; D31-F107 WeakPolarHBondContact O-CE1 3.33Å; D31-L117 HydrophobicContact CB-CD2 3.82Å; D31-K120 IonicContact OD1-NZ 3.34Å; D31-K120 PolarHBondContact OD1-NZ 2.78Å; D31-Y121 WeakPolarHBondContact OD1-CE2 3.27Å; D31-Y121 PolarHBondContact OD1-OH 3.31Å
32C91.6Very high94.8Very high7 Ų756 Ų565%0.04728%0.283CS..THydrogen-bonded Turntrans-137.97.8-179.571.10000116.1C29 Q34 C52 F107C29-C32 VanDerWaalsContact CB-SG 3.56Å; C29-C32 PolarHBondContact O-N 3.38Å; C29-C32 PolarHBondContact SG-SG 2.96Å; C32-Q34 PolarHBondContact O-N 3.17Å; C32-C52 PolarHBondContact SG-SG 3.12Å; C32-F107 VanDerWaalsContact CA-CE1 3.47Å; C32-F107 HydrophobicContact CB-CB 4.13Å; C32-F107 HydrophobicContact CB-CD1 3.3Å; C32-F107 HydrophobicContact CB-CD2 4.13Å; C32-F107 HydrophobicContact CB-CE1 3.64Å; C32-F107 HydrophobicContact CB-CE2 4.38Å; C32-F107 HydrophobicContact CB-CG 3.59Å; C32-F107 HydrophobicContact CB-CZ 4.17Å
33D91.1Very high94.9Very high95 Ų9558 Ų5851%0.50829%0.288SS..  trans57.8-2.5179.3-158.367.2000115.8K28 C29 R35K28-D33 VanDerWaalsContact CD-CG 3.44Å; K28-D33 WeakPolarHBondContact CD-O 3.4Å; K28-D33 WeakPolarHBondContact CD-OD1 3.46Å; K28-D33 IonicContact NZ-OD1 2.88Å; K28-D33 PolarHBondContact NZ-OD1 3.48Å; K28-D33 IonicContact NZ-OD2 2.66Å; K28-D33 PolarHBondContact NZ-OD2 3.42Å; C29-D33 WeakPolarHBondContact O-CA 3.29Å; C29-D33 PolarHBondContact O-N 3.05Å; D33-R35 PolarHBondContact O-N 2.97Å
34Q91.2Very high95Very high95 Ų9554.2 Ų54.244%0.44427%0.269SS..  trans-59.9136.4175.7-67.1179.20.900111.4K28 C29 C32K28-Q34 CarbonylContact C-O 3.49Å; K28-Q34 WeakPolarHBondContact CA-O 3.47Å; C29-Q34 PolarHBondContact N-O 2.91Å; C32-Q34 PolarHBondContact O-N 3.17Å
35R93.6Very high95.1Very high225 Ų22549.9 Ų49.985%0.84924%0.241SC*.BIsolated β-bridgetrans-66.1146.4-178.7-65.9-176.5176.6-154-0.5111.9R27 D33R27-R35 WeakPolarHBondContact O-CA 3.23Å; D33-R35 PolarHBondContact O-N 2.97Å
36G91.7Very high95.3Very high46 Ų4645.6 Ų45.647%0.47422%0.221SC..  trans75.967.3173.600000114.1R27 T38R27-G36 PolarHBondContact O-N 3.12Å; G36-T38 PolarHBondContact O-N 3.29Å
37P96Very high95.4Very high16 Ų1645.3 Ų45.310%0.10422%0.22CC..  trans-61.3137.1169.326.2-31.9000111N26 F47 V48N26-P37 WeakPolarHBondContact O-CG 3.49Å; P37-F47 HydrophobicContact CB-CB 3.9Å; P37-F47 HydrophobicContact CG-CB 3.78Å; P37-V48 CarbonylContact C-O 3.54Å; P37-V48 WeakPolarHBondContact CA-O 3.38Å; P37-V48 VanDerWaalsContact CB-C 3.5Å; P37-V48 WeakPolarHBondContact CB-O 3.34Å
38T96.6Very high95.4Very high57 Ų5737.7 Ų37.735%0.3519%0.191SC..  trans-111.3-11.3-174.642.70000112.7G36 V48 T50 I68G36-T38 PolarHBondContact O-N 3.29Å; T38-V48 PolarHBondContact N-O 3.34Å; T38-T50 PolarHBondContact OG1-N 3.06Å; T38-T50 VanDerWaalsContact OG1-N 3.08Å; T38-T50 PolarHBondContact OG1-OG1 3.43Å; T38-I68 WeakPolarHBondContact O-CB 3.33Å; T38-I68 PolarHBondContact O-N 3.19Å
39Y97.7Very high95.5Very high47 Ų4734.4 Ų34.418%0.18418%0.178CC..EExtended strand (participates in β ladder)trans-129.7157.7-179.5-70.2-104.7000110.8V48 T50 K66Y39-V48 PolarHBondContact N-O 2.73Å; Y39-V48 PolarHBondContact O-N 2.87Å; Y39-V48 VanDerWaalsContact O-O 3.09Å; Y39-T50 HydrophobicContact CE2-CG2 3.85Å; Y39-K66 CarbonylContact C-O 3.55Å; Y39-K66 WeakPolarHBondContact CA-O 3.4Å; Y39-K66 WeakPolarHBondContact CB-O 3.28Å; Y39-K66 VanDerWaalsContact CD1-C 3.49Å; Y39-K66 WeakPolarHBondContact CD1-O 3.38Å
40V97.6Very high95.5Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-115.3139.7166-70.80000110.2L17 M42 S46 F47 V65 K66 I68 F73 L81L17-V40 HydrophobicContact CD1-CG1 4.44Å; V40-M42 HydrophobicContact CG2-SD 3.79Å; V40-S46 CarbonylContact C-O 3.18Å; V40-S46 WeakPolarHBondContact CA-O 3.4Å; V40-F47 HydrophobicContact CG1-CD1 3.42Å; V40-F47 VanDerWaalsContact CG1-CD1 3.42Å; V40-F47 HydrophobicContact CG1-CE1 3.43Å; V40-F47 VanDerWaalsContact CG1-CE1 3.43Å; V40-F47 HydrophobicContact CG1-CG 4.06Å; V40-F47 HydrophobicContact CG1-CZ 4.09Å; V40-V65 CarbonylContact O-C 3.52Å; V40-V65 VanDerWaalsContact O-CA 3.27Å; V40-V65 WeakPolarHBondContact O-CA 3.48Å; V40-K66 HydrophobicContact CG2-CB 4.06Å; V40-K66 PolarHBondContact N-O 3.35Å; V40-K66 PolarHBondContact O-N 2.86Å; V40-I68 HydrophobicContact CG1-CD1 4.17Å; V40-I68 HydrophobicContact CG1-CG1 3.99Å; V40-F73 HydrophobicContact CG2-CE1 3.44Å; V40-F73 VanDerWaalsContact CG2-CE1 3.44Å; V40-F73 HydrophobicContact CG2-CZ 3.61Å; V40-L81 HydrophobicContact CB-CD1 4.32Å; V40-L81 HydrophobicContact CB-CD2 3.98Å; V40-L81 HydrophobicContact CG1-CD1 4.17Å; V40-L81 HydrophobicContact CG1-CD2 4.04Å; V40-L81 HydrophobicContact CG2-CD1 4.15Å
41N97.8Very high95.4Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-90.9102.9172.8177.21.1000109.5T43 V44 G45 S46 L56 H63 V65N41-T43 PolarHBondContact O-N 2.89Å; N41-T43 WeakPolarHBondContact OD1-CB 3.4Å; N41-T43 PolarHBondContact OD1-N 3.14Å; N41-V44 WeakPolarHBondContact ND2-CB 3.34Å; N41-V44 WeakPolarHBondContact ND2-CG2 3.46Å; N41-V44 PolarHBondContact O-N 3.47Å; N41-G45 WeakPolarHBondContact O-CA 3.29Å; N41-G45 PolarHBondContact O-N 2.92Å; N41-S46 PolarHBondContact N-O 3.38Å; N41-L56 HydrophobicContact CB-CD1 4.42Å; N41-H63 PolarHBondContact ND2-ND1 3.17Å; N41-V65 HydrophobicContact CB-CG1 4.15Å
42M97.3Very high95.5Very high16 Ų1640.3 Ų40.38%0.07922%0.219CC..THydrogen-bonded Turntrans-72.7-9.9-179.7-57.2-55.4-46.200114V40 R64 K66 F73 E77 F80 L81V40-M42 HydrophobicContact CG2-SD 3.79Å; M42-R64 WeakPolarHBondContact CA-O 3.35Å; M42-R64 HydrophobicContact CB-CB 4.32Å; M42-R64 HydrophobicContact CB-CG 4.2Å; M42-R64 VanDerWaalsContact CB-O 3.23Å; M42-R64 WeakPolarHBondContact CB-O 3.44Å; M42-R64 PolarHBondContact N-O 2.74Å; M42-K66 HydrophobicContact CG-CB 4.47Å; M42-K66 HydrophobicContact CG-CD 3.9Å; M42-K66 HydrophobicContact CG-CG 3.98Å; M42-K66 HydrophobicContact SD-CD 4.26Å; M42-F73 HydrophobicContact SD-CD1 4.43Å; M42-F73 HydrophobicContact SD-CE1 4.06Å; M42-E77 HydrophobicContact CE-CB 3.65Å; M42-E77 HydrophobicContact CE-CG 3.78Å; M42-F80 HydrophobicContact CE-CD1 3.8Å; M42-F80 HydrophobicContact CE-CE1 4.35Å; M42-F80 WeakPolarHBondContact O-CE1 3.23Å; M42-L81 HydrophobicContact CE-CG 4.4Å; M42-L81 HydrophobicContact SD-CD1 4.22Å; M42-L81 HydrophobicContact SD-CD2 4.48Å; M42-L81 HydrophobicContact SD-CG 4.47Å
43T96.2Very high95.7Very high73 Ų7340.2 Ų40.245%0.44822%0.218SC..THydrogen-bonded Turntrans-79.4-27.3173.1-57.60000111.7N41 R64N41-T43 PolarHBondContact O-N 2.89Å; N41-T43 WeakPolarHBondContact OD1-CB 3.4Å; N41-T43 PolarHBondContact OD1-N 3.14Å; T43-R64 PolarHBondContact OG1-N 3.41Å
44V95.8Very high95.8Very high7 Ų737.7 Ų37.74%0.04221%0.214CC..THydrogen-bonded Turntrans-120.3-27.9-170.8168.90000113.6N41 C89 W93 Y121N41-V44 WeakPolarHBondContact ND2-CB 3.34Å; N41-V44 WeakPolarHBondContact ND2-CG2 3.46Å; N41-V44 PolarHBondContact O-N 3.47Å; V44-C89 HydrophobicContact CG1-CB 4.34Å; V44-C89 PolarHBondContact O-SG 2.77Å; V44-C89 VanDerWaalsContact O-SG 3.41Å; V44-W93 HydrophobicContact CG2-CZ2 4.09Å; V44-Y121 HydrophobicContact CG1-CE1 4.42Å; V44-Y121 HydrophobicContact CG2-CD1 4.3Å; V44-Y121 HydrophobicContact CG2-CE1 3.91Å
45G96.6Very high96Very high0 Ų034.1 Ų34.10%020%0.2CC..THydrogen-bonded Turntrans90.216-174.700000114.9N41 G85N41-G45 WeakPolarHBondContact O-CA 3.29Å; N41-G45 PolarHBondContact O-N 2.92Å; G45-G85 WeakPolarHBondContact O-CA 3.23Å; G45-G85 PolarHBondContact O-N 2.87Å
46S97.4Very high96.1Very high0 Ų023.4 Ų23.40%016%0.16CC..EExtended strand (participates in β ladder)trans-103.5160.3-176.159.30000114.4V40 N41 N86V40-S46 CarbonylContact C-O 3.18Å; V40-S46 WeakPolarHBondContact CA-O 3.4Å; N41-S46 PolarHBondContact N-O 3.38Å; S46-N86 WeakPolarHBondContact CA-OD1 3.33Å
47F97.9Very high96.3Very high0 Ų028.3 Ų28.30%016%0.164CC..EExtended strand (participates in β ladder)trans-103.7125.8178-65.4-98.6000110.3L17 M20 T21 N26 F30 P37 V40 I68 N86L17-F47 HydrophobicContact CD1-CE1 3.92Å; L17-F47 HydrophobicContact CD1-CZ 4.33Å; M20-F47 HydrophobicContact CB-CZ 3.79Å; M20-F47 HydrophobicContact SD-CZ 4.32Å; T21-F47 HydrophobicContact CG2-CD1 3.72Å; T21-F47 HydrophobicContact CG2-CE1 3.55Å; N26-F47 HydrophobicContact CB-CD2 3.99Å; N26-F47 HydrophobicContact CB-CE2 4.36Å; N26-F47 HydrophobicContact CB-CG 4.24Å; N26-F47 VanDerWaalsContact CG-CD2 3.49Å; N26-F47 WeakPolarHBondContact OD1-CD2 3.4Å; F30-F47 WeakPolarHBondContact CB-O 3.39Å; F30-F47 PolarHBondContact N-O 3.48Å; P37-F47 HydrophobicContact CB-CB 3.9Å; P37-F47 HydrophobicContact CG-CB 3.78Å; V40-F47 HydrophobicContact CG1-CD1 3.42Å; V40-F47 VanDerWaalsContact CG1-CD1 3.42Å; V40-F47 HydrophobicContact CG1-CE1 3.43Å; V40-F47 VanDerWaalsContact CG1-CE1 3.43Å; V40-F47 HydrophobicContact CG1-CG 4.06Å; V40-F47 HydrophobicContact CG1-CZ 4.09Å; F47-I68 HydrophobicContact CD1-CD1 3.97Å; F47-I68 HydrophobicContact CE1-CD1 4.46Å; F47-N86 PolarHBondContact N-OD1 3.08Å; F47-N86 PolarHBondContact O-ND2 3.01Å
48V97.5Very high96.2Very high0 Ų029.5 Ų29.50%018%0.179CC..EExtended strand (participates in β ladder)trans-136.4155.5-170.4-59.50000112.6C29 F30 D31 P37 T38 Y39 C52 L56C29-V48 VanDerWaalsContact SG-CA 3.57Å; F30-V48 HydrophobicContact CB-CG1 4.22Å; D31-V48 WeakPolarHBondContact OD2-CG1 3.33Å; P37-V48 CarbonylContact C-O 3.54Å; P37-V48 WeakPolarHBondContact CA-O 3.38Å; P37-V48 VanDerWaalsContact CB-C 3.5Å; P37-V48 WeakPolarHBondContact CB-O 3.34Å; T38-V48 PolarHBondContact N-O 3.34Å; Y39-V48 PolarHBondContact N-O 2.73Å; Y39-V48 PolarHBondContact O-N 2.87Å; Y39-V48 VanDerWaalsContact O-O 3.09Å; V48-C52 HydrophobicContact CB-CB 4.34Å; V48-L56 HydrophobicContact CB-CD1 4.49Å; V48-L56 HydrophobicContact CG1-CD1 4.11Å; V48-L56 HydrophobicContact CG2-CD1 4.13Å
49C96.3Very high96.1Very high10 Ų1027.1 Ų27.17%0.06816%0.164CC..  trans-80.3166.9175.375.60000112C29 S51 C52 S53C29-C49 HydrophobicContact CB-CB 4.08Å; C29-C49 PolarHBondContact SG-N 3.45Å; C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 2.95Å; C49-C52 PolarHBondContact O-N 3.33Å; C49-S53 WeakPolarHBondContact O-CB 3.36Å; C49-S53 PolarHBondContact O-N 3.22Å
50T95.7Very high95.8Very high79 Ų7931.3 Ų31.349%0.48519%0.189SC..Hα-helixtrans-52.8-44.3180-48.40000112.6T38 Y39 S53 G54T38-T50 PolarHBondContact OG1-N 3.06Å; T38-T50 VanDerWaalsContact OG1-N 3.08Å; T38-T50 PolarHBondContact OG1-OG1 3.43Å; Y39-T50 HydrophobicContact CE2-CG2 3.85Å; T50-S53 WeakPolarHBondContact O-CB 3.47Å; T50-S53 PolarHBondContact O-N 2.98Å; T50-S53 PolarHBondContact O-OG 3.31Å; T50-G54 PolarHBondContact O-N 3.35Å
51S94.1Very high95.7Very high72 Ų7236 Ų3650%0.50322%0.22SC..Hα-helixtrans-62.6-54.6-179.1-176.70000112C49 S53 G54 S55C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 2.95Å; S51-S53 PolarHBondContact O-N 3.12Å; S51-G54 WeakPolarHBondContact O-CA 3.49Å; S51-G54 PolarHBondContact O-N 3.39Å; S51-S55 PolarHBondContact O-N 3.1Å
52C95.1Very high95.6Very high2 Ų239.9 Ų39.91%0.01425%0.245CC..Hα-helixtrans-59.8-35.4176-63.40000112D31 C32 V48 C49 G54 S55 L56D31-C52 HydrophobicContact CB-CB 4.14Å; C32-C52 PolarHBondContact SG-SG 3.12Å; V48-C52 HydrophobicContact CB-CB 4.34Å; C49-C52 PolarHBondContact O-N 3.33Å; C52-G54 PolarHBondContact O-N 3.21Å; C52-S55 PolarHBondContact O-N 2.93Å; C52-L56 VanDerWaalsContact O-CB 3.23Å; C52-L56 WeakPolarHBondContact O-CB 3.33Å; C52-L56 WeakPolarHBondContact O-CG 3.35Å; C52-L56 PolarHBondContact O-N 2.93Å
53S95.8Very high95.6Very high5 Ų540.1 Ų40.14%0.03525%0.246CC..Hα-helixtrans-61.1-28.1174.489.90000113.3C49 T50 S51 R57 V65C49-S53 WeakPolarHBondContact O-CB 3.36Å; C49-S53 PolarHBondContact O-N 3.22Å; T50-S53 WeakPolarHBondContact O-CB 3.47Å; T50-S53 PolarHBondContact O-N 2.98Å; T50-S53 PolarHBondContact O-OG 3.31Å; S51-S53 PolarHBondContact O-N 3.12Å; S53-R57 WeakPolarHBondContact O-CD 3.28Å; S53-R57 WeakPolarHBondContact O-CG 3.36Å; S53-V65 WeakPolarHBondContact O-CG2 3.23Å
54G94.8Very high95.6Very high41 Ų4143 Ų4342%0.42325%0.249SC..Hα-helixtrans-71.2-55.5170.700000111.6T50 S51 C52 L56 R57 G58T50-G54 PolarHBondContact O-N 3.35Å; S51-G54 WeakPolarHBondContact O-CA 3.49Å; S51-G54 PolarHBondContact O-N 3.39Å; C52-G54 PolarHBondContact O-N 3.21Å; G54-L56 VanDerWaalsContact C-N 3.27Å; G54-L56 PolarHBondContact O-N 2.88Å; G54-R57 WeakPolarHBondContact O-CB 3.38Å; G54-R57 PolarHBondContact O-N 3Å; G54-G58 PolarHBondContact O-N 3.5Å
55S95.3Very high95.7Very high21 Ų2143.2 Ų43.215%0.14725%0.25CS..Hα-helixtrans-59.6-36.3-179.3-52.40000113S51 C52 R57 G58S51-S55 PolarHBondContact O-N 3.1Å; C52-S55 PolarHBondContact O-N 2.93Å; S55-R57 VanDerWaalsContact C-N 3.27Å; S55-R57 PolarHBondContact O-N 3.04Å; S55-G58 WeakPolarHBondContact O-CA 3.19Å; S55-G58 PolarHBondContact O-N 3.42Å
56L95.6Very high95.7Very high0 Ų044.8 Ų44.80%026%0.257CS..G310 helixtrans-62.7-26.5174.6-78.3178.4000114.1N41 V48 C52 G54 G58 L59 H63 V65 L117 Y121N41-L56 HydrophobicContact CB-CD1 4.42Å; V48-L56 HydrophobicContact CB-CD1 4.49Å; V48-L56 HydrophobicContact CG1-CD1 4.11Å; V48-L56 HydrophobicContact CG2-CD1 4.13Å; C52-L56 VanDerWaalsContact O-CB 3.23Å; C52-L56 WeakPolarHBondContact O-CB 3.33Å; C52-L56 WeakPolarHBondContact O-CG 3.35Å; C52-L56 PolarHBondContact O-N 2.93Å; G54-L56 VanDerWaalsContact C-N 3.27Å; G54-L56 PolarHBondContact O-N 2.88Å; L56-G58 VanDerWaalsContact C-N 3.32Å; L56-L59 HydrophobicContact CD2-CD1 3.78Å; L56-H63 HydrophobicContact CB-CB 4.13Å; L56-H63 HydrophobicContact CD2-CB 4.46Å; L56-H63 PolarHBondContact O-N 3.4Å; L56-V65 HydrophobicContact CB-CG1 4.18Å; L56-V65 HydrophobicContact CD1-CG1 4Å; L56-L117 HydrophobicContact CD2-CD1 4.5Å; L56-L117 HydrophobicContact CD2-CD2 3.87Å; L56-L117 HydrophobicContact CG-CD2 4.49Å; L56-Y121 HydrophobicContact CD2-CD2 4.04Å; L56-Y121 HydrophobicContact CD2-CE2 3.73Å
57R95.8Very high95.7Very high149 Ų14945.4 Ų45.456%0.56226%0.261SS*.G310 helixtrans-79.8-15.9171.8-66.3167.2177.8-147.8-6.3112.7S53 G54 S55 P62 V65S53-R57 WeakPolarHBondContact O-CD 3.28Å; S53-R57 WeakPolarHBondContact O-CG 3.36Å; G54-R57 WeakPolarHBondContact O-CB 3.38Å; G54-R57 PolarHBondContact O-N 3Å; S55-R57 VanDerWaalsContact C-N 3.27Å; S55-R57 PolarHBondContact O-N 3.04Å; R57-P62 WeakPolarHBondContact O-CB 3.33Å; R57-V65 HydrophobicContact CG-CG2 3.92Å; R57-V65 PolarHBondContact NH2-O 2.93Å
58G93Very high95.5Very high40 Ų4046.7 Ų46.741%0.41227%0.268SS..G310 helixtrans-94.18.5176.900000114.6G54 S55 L56 K114G54-G58 PolarHBondContact O-N 3.5Å; S55-G58 WeakPolarHBondContact O-CA 3.19Å; S55-G58 PolarHBondContact O-N 3.42Å; L56-G58 VanDerWaalsContact C-N 3.32Å; G58-K114 WeakPolarHBondContact O-CE 3.45Å
59L94.1Very high95.3Very high7 Ų751.5 Ų51.54%0.03730%0.302CS..SBendtrans-84.2163.2168.5-60.8-179.3000111L56 P61 P62 L117 Q118 Y121 E122L56-L59 HydrophobicContact CD2-CD1 3.78Å; L59-P61 CarbonylContact O-C 3.38Å; L59-P62 VanDerWaalsContact O-CA 3.27Å; L59-P62 WeakPolarHBondContact O-CA 3.43Å; L59-P62 VanDerWaalsContact O-N 3.17Å; L59-L117 HydrophobicContact CD1-CB 4.36Å; L59-L117 HydrophobicContact CD2-CB 3.97Å; L59-Q118 HydrophobicContact CD2-CB 4.5Å; L59-Q118 HydrophobicContact CD2-CG 3.58Å; L59-Y121 HydrophobicContact CD1-CD2 4.01Å; L59-Y121 HydrophobicContact CD1-CG 4.46Å; L59-E122 VanDerWaalsContact CA-OE1 3.3Å; L59-E122 WeakPolarHBondContact CA-OE1 3.27Å; L59-E122 WeakPolarHBondContact CB-OE1 3.33Å
60N92.8Very high95.1Very high135 Ų13558.6 Ų58.672%0.72234%0.336SS*.SBendtrans-127.3109.1174.6-171.821.9000111.2E122N60-E122 PolarHBondContact N-OE1 3.49Å
61P94.4Very high95.1Very high99 Ų9956.8 Ų56.864%0.64332%0.324SS*.SBendcis-73.3149.52.130.6-36.1000113.2L59L59-P61 CarbonylContact O-C 3.38Å
62P95.5Very high95.1Very high82 Ų8257.4 Ų57.453%0.53233%0.325SS..PPolyproline II helixtrans-70.9136.2-177.128.5-35.8000112.2R57 L59R57-P62 WeakPolarHBondContact O-CB 3.33Å; L59-P62 VanDerWaalsContact O-CA 3.27Å; L59-P62 WeakPolarHBondContact O-CA 3.43Å; L59-P62 VanDerWaalsContact O-N 3.17Å
63H97.1Very high95.1Very high21 Ų2157.6 Ų57.610%0.09733%0.326CS..PPolyproline II helixtrans-78136-179.6-77.8-169.7000112.7N41 L56 V65 Y121N41-H63 PolarHBondContact ND2-ND1 3.17Å; L56-H63 HydrophobicContact CB-CB 4.13Å; L56-H63 HydrophobicContact CD2-CB 4.46Å; L56-H63 PolarHBondContact O-N 3.4Å; H63-V65 PolarHBondContact O-N 3.17Å; H63-Y121 AromaticContact CE1-CD1 3.59Å; H63-Y121 AromaticContact CE1-CG 3.56Å
64R96.9Very high95.1Very high133 Ų13360.5 Ų60.550%0.50234%0.344SS..  trans-80.484.4-175.4-176.1178.9173.5-111.6-5.1111M42 T43 E77M42-R64 WeakPolarHBondContact CA-O 3.35Å; M42-R64 HydrophobicContact CB-CB 4.32Å; M42-R64 HydrophobicContact CB-CG 4.2Å; M42-R64 VanDerWaalsContact CB-O 3.23Å; M42-R64 WeakPolarHBondContact CB-O 3.44Å; M42-R64 PolarHBondContact N-O 2.74Å; T43-R64 PolarHBondContact OG1-N 3.41Å; R64-E77 IonicContact CZ-OE1 2.73Å; R64-E77 IonicContact NH1-OE1 2.89Å; R64-E77 PolarHBondContact NH1-OE1 3.34Å; R64-E77 IonicContact NH2-OE1 2.64Å; R64-E77 PolarHBondContact NH2-OE1 2.64Å
65V97.6Very high95.1Very high12 Ų1261 Ų617%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-92.8133.9-179.4-57.60000113.7V40 N41 S53 L56 R57 H63V40-V65 CarbonylContact O-C 3.52Å; V40-V65 VanDerWaalsContact O-CA 3.27Å; V40-V65 WeakPolarHBondContact O-CA 3.48Å; N41-V65 HydrophobicContact CB-CG1 4.15Å; S53-V65 WeakPolarHBondContact O-CG2 3.23Å; L56-V65 HydrophobicContact CB-CG1 4.18Å; L56-V65 HydrophobicContact CD1-CG1 4Å; R57-V65 HydrophobicContact CG-CG2 3.92Å; R57-V65 PolarHBondContact NH2-O 2.93Å; H63-V65 PolarHBondContact O-N 3.17Å
66K97Very high95.2Very high33 Ų3367.5 Ų67.514%0.14336%0.363CS..EExtended strand (participates in β ladder)trans-116.8145.4177.7-74.4-172.8160.7-160.20111.3Y39 V40 M42 T71 T72 F73 E77Y39-K66 CarbonylContact C-O 3.55Å; Y39-K66 WeakPolarHBondContact CA-O 3.4Å; Y39-K66 WeakPolarHBondContact CB-O 3.28Å; Y39-K66 VanDerWaalsContact CD1-C 3.49Å; Y39-K66 WeakPolarHBondContact CD1-O 3.38Å; V40-K66 HydrophobicContact CG2-CB 4.06Å; V40-K66 PolarHBondContact N-O 3.35Å; V40-K66 PolarHBondContact O-N 2.86Å; M42-K66 HydrophobicContact CG-CB 4.47Å; M42-K66 HydrophobicContact CG-CD 3.9Å; M42-K66 HydrophobicContact CG-CG 3.98Å; M42-K66 HydrophobicContact SD-CD 4.26Å; K66-T71 HydrophobicContact CB-CG2 4.25Å; K66-T71 HydrophobicContact CD-CG2 3.76Å; K66-T71 HydrophobicContact CG-CG2 4.04Å; K66-T72 PolarHBondContact NZ-O 2.91Å; K66-F73 HydrophobicContact CB-CE1 3.78Å; K66-F73 HydrophobicContact CB-CZ 3.82Å; K66-F73 HydrophobicContact CD-CD1 3.93Å; K66-F73 HydrophobicContact CD-CE1 3.48Å; K66-F73 VanDerWaalsContact CD-CE1 3.48Å; K66-F73 HydrophobicContact CD-CZ 4.17Å; K66-F73 HydrophobicContact CG-CE1 4.28Å; K66-E77 WeakPolarHBondContact CE-OE1 3.41Å; K66-E77 IonicContact NZ-OE1 3.56Å; K66-E77 PolarHBondContact NZ-OE1 2.84Å; K66-E77 IonicContact NZ-OE2 2.71Å; K66-E77 PolarHBondContact NZ-OE2 3.21Å
67S96.6Very high95.2Very high12 Ų1268.4 Ų68.48%0.08437%0.367CS..EExtended strand (participates in β ladder)trans-76.5134.3173.21650000110.9S69 M70 T71S67-S69 VanDerWaalsContact C-N 3.35Å; S67-S69 PolarHBondContact OG-N 3.06Å; S67-S69 PolarHBondContact OG-OG 3.48Å; S67-M70 PolarHBondContact OG-N 2.79Å; S67-T71 PolarHBondContact N-OG1 2.93Å; S67-T71 VanDerWaalsContact O-CB 3.26Å; S67-T71 WeakPolarHBondContact O-CB 3.44Å; S67-T71 PolarHBondContact O-N 3.48Å; S67-T71 PolarHBondContact O-OG1 3.33Å
68I95.3Very high95.3Very high27 Ų2761.3 Ų61.314%0.13834%0.34CS..THydrogen-bonded Turntrans-66.9-35.5179.9-68.6169.5000111.7L17 T21 T38 V40 F47L17-I68 HydrophobicContact CD2-CB 4.43Å; L17-I68 HydrophobicContact CD2-CG2 3.89Å; L17-I68 HydrophobicContact CG-CG2 4.15Å; T21-I68 HydrophobicContact CG2-CD1 4.04Å; T38-I68 WeakPolarHBondContact O-CB 3.33Å; T38-I68 PolarHBondContact O-N 3.19Å; V40-I68 HydrophobicContact CG1-CD1 4.17Å; V40-I68 HydrophobicContact CG1-CG1 3.99Å; F47-I68 HydrophobicContact CD1-CD1 3.97Å; F47-I68 HydrophobicContact CE1-CD1 4.46Å
69S92Very high95.5Very high102 Ų10262.6 Ų62.671%0.71334%0.336SS*.THydrogen-bonded Turntrans-92.1-25.7-176.354.50000114.3S67S67-S69 VanDerWaalsContact C-N 3.35Å; S67-S69 PolarHBondContact OG-N 3.06Å; S67-S69 PolarHBondContact OG-OG 3.48Å
70M93.3Very high95.6Very high159 Ų15965.2 Ų65.278%0.78335%0.347SS*.THydrogen-bonded Turntrans-107.8-12.5-170.8-5717373.200114.5S67S67-M70 PolarHBondContact OG-N 2.79Å
71T94.8Very high95.8Very high40 Ų4058.9 Ų58.925%0.24531%0.313CS..  trans-105.6131.2-173.1-31.90000111.7K66 S67 F73K66-T71 HydrophobicContact CB-CG2 4.25Å; K66-T71 HydrophobicContact CD-CG2 3.76Å; K66-T71 HydrophobicContact CG-CG2 4.04Å; S67-T71 PolarHBondContact N-OG1 2.93Å; S67-T71 VanDerWaalsContact O-CB 3.26Å; S67-T71 WeakPolarHBondContact O-CB 3.44Å; S67-T71 PolarHBondContact O-N 3.48Å; S67-T71 PolarHBondContact O-OG1 3.33Å; T71-F73 WeakPolarHBondContact O-CD2 3.44Å; T71-F73 VanDerWaalsContact O-CE2 3.23Å; T71-F73 WeakPolarHBondContact O-CE2 3.47Å; T71-F73 PolarHBondContact O-N 2.95Å
72T93.8Very high95.8Very high86 Ų8658.9 Ų58.953%0.52830%0.304SS..PPolyproline II helixtrans-69.1125.6161.5-58.80000109.6E10 K66E10-T72 HydrophobicContact CG-CG2 3.96Å; E10-T72 WeakPolarHBondContact OE1-CG2 3.22Å; E10-T72 PolarHBondContact OE1-OG1 3.05Å; K66-T72 PolarHBondContact NZ-O 2.91Å
73F95.8Very high95.8Very high6 Ų661.6 Ų61.63%0.02631%0.308CS..PPolyproline II helixtrans-97.4145.9173.6-67.4-87.8000110.6H13 L17 V40 M42 K66 T71 E77 I78H13-F73 PolarHBondContact ND1-O 3.47Å; L17-F73 HydrophobicContact CD2-CD2 3.65Å; L17-F73 HydrophobicContact CD2-CE2 3.4Å; L17-F73 HydrophobicContact CD2-CG 4.49Å; L17-F73 HydrophobicContact CD2-CZ 4.06Å; V40-F73 HydrophobicContact CG2-CE1 3.44Å; V40-F73 VanDerWaalsContact CG2-CE1 3.44Å; V40-F73 HydrophobicContact CG2-CZ 3.61Å; M42-F73 HydrophobicContact SD-CD1 4.43Å; M42-F73 HydrophobicContact SD-CE1 4.06Å; K66-F73 HydrophobicContact CB-CE1 3.78Å; K66-F73 HydrophobicContact CB-CZ 3.82Å; K66-F73 HydrophobicContact CD-CD1 3.93Å; K66-F73 HydrophobicContact CD-CE1 3.48Å; K66-F73 VanDerWaalsContact CD-CE1 3.48Å; K66-F73 HydrophobicContact CD-CZ 4.17Å; K66-F73 HydrophobicContact CG-CE1 4.28Å; T71-F73 WeakPolarHBondContact O-CD2 3.44Å; T71-F73 VanDerWaalsContact O-CE2 3.23Å; T71-F73 WeakPolarHBondContact O-CE2 3.47Å; T71-F73 PolarHBondContact O-N 2.95Å; F73-E77 HydrophobicContact CD1-CB 4.33Å; F73-I78 HydrophobicContact CB-CD1 3.78Å; F73-I78 HydrophobicContact CB-CG1 4.06Å; F73-I78 HydrophobicContact CG-CD1 4.18Å
74T95.7Very high95.7Very high66 Ų6663.5 Ų63.541%0.40532%0.316SS..PPolyproline II helixtrans-82.6162.3168.878.10000110.7Q76 E77 I78T74-Q76 VanDerWaalsContact C-N 3.26Å; T74-Q76 PolarHBondContact O-N 2.77Å; T74-E77 PolarHBondContact N-OE2 3.37Å; T74-E77 VanDerWaalsContact N-OE2 3.1Å; T74-E77 PolarHBondContact O-N 3.05Å; T74-E77 VanDerWaalsContact O-N 3.11Å; T74-E77 WeakPolarHBondContact OG1-CG 3.28Å; T74-E77 PolarHBondContact OG1-N 3.43Å; T74-I78 PolarHBondContact O-N 3.33Å
75Q95.2Very high95.6Very high52 Ų5257.3 Ų57.324%0.24330%0.295CS..Hα-helixtrans-59.3-39.4177.217759.451.700111.3H13 E77 I78 E79H13-Q75 PolarHBondContact CE1-N 3.28Å; H13-Q75 VanDerWaalsContact CE1-N 3.27Å; H13-Q75 PolarHBondContact NE2-OE1 3.01Å; Q75-E77 PolarHBondContact O-N 2.67Å; Q75-I78 PolarHBondContact O-N 3.1Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.34Å; Q75-E79 PolarHBondContact NE2-OE1 2.93Å; Q75-E79 WeakPolarHBondContact O-CG 3.47Å; Q75-E79 PolarHBondContact O-N 2.83Å
76Q96.6Very high95.5Very high156 Ų15657.1 Ų57.173%0.72929%0.293SS*.Hα-helixtrans-61.8-39.9174-66.4173.3-14.500112.6T74 E79 F80T74-Q76 VanDerWaalsContact C-N 3.26Å; T74-Q76 PolarHBondContact O-N 2.77Å; Q76-E79 PolarHBondContact O-N 3.21Å; Q76-F80 WeakPolarHBondContact O-CB 3.5Å; Q76-F80 PolarHBondContact O-N 3.2Å
77E96.9Very high95.4Very high19 Ų1960.6 Ų60.69%0.08931%0.31CS..Hα-helixtrans-69.7-34.4178.4-70178.814400112M42 R64 K66 F73 T74 Q75 L81M42-E77 HydrophobicContact CE-CB 3.65Å; M42-E77 HydrophobicContact CE-CG 3.78Å; R64-E77 IonicContact CZ-OE1 2.73Å; R64-E77 IonicContact NH1-OE1 2.89Å; R64-E77 PolarHBondContact NH1-OE1 3.34Å; R64-E77 IonicContact NH2-OE1 2.64Å; R64-E77 PolarHBondContact NH2-OE1 2.64Å; K66-E77 WeakPolarHBondContact CE-OE1 3.41Å; K66-E77 IonicContact NZ-OE1 3.56Å; K66-E77 PolarHBondContact NZ-OE1 2.84Å; K66-E77 IonicContact NZ-OE2 2.71Å; K66-E77 PolarHBondContact NZ-OE2 3.21Å; F73-E77 HydrophobicContact CD1-CB 4.33Å; T74-E77 PolarHBondContact N-OE2 3.37Å; T74-E77 VanDerWaalsContact N-OE2 3.1Å; T74-E77 PolarHBondContact O-N 3.05Å; T74-E77 VanDerWaalsContact O-N 3.11Å; T74-E77 WeakPolarHBondContact OG1-CG 3.28Å; T74-E77 PolarHBondContact OG1-N 3.43Å; Q75-E77 PolarHBondContact O-N 2.67Å; E77-L81 WeakPolarHBondContact O-CD1 3.34Å; E77-L81 WeakPolarHBondContact O-CG 3.13Å; E77-L81 PolarHBondContact O-N 3.4Å
78I96.7Very high95.3Very high0 Ų062.9 Ų62.90%032%0.323CS..Hα-helixtrans-67.3-47.1171.5-62.6-62.5000111H13 M16 L17 M20 F73 T74 Q75 F80 L81 Q82H13-I78 HydrophobicContact CB-CD1 4.33Å; H13-I78 HydrophobicContact CB-CG1 3.97Å; M16-I78 HydrophobicContact CB-CG2 3.86Å; M16-I78 HydrophobicContact CE-CG2 3.98Å; M16-I78 HydrophobicContact SD-CG2 4.33Å; L17-I78 HydrophobicContact CB-CD1 4.07Å; L17-I78 HydrophobicContact CD1-CD1 4.49Å; M20-I78 HydrophobicContact CE-CD1 4.36Å; M20-I78 HydrophobicContact CE-CG2 4Å; F73-I78 HydrophobicContact CB-CD1 3.78Å; F73-I78 HydrophobicContact CB-CG1 4.06Å; F73-I78 HydrophobicContact CG-CD1 4.18Å; T74-I78 PolarHBondContact O-N 3.33Å; Q75-I78 PolarHBondContact O-N 3.1Å; I78-F80 VanDerWaalsContact C-N 3.29Å; I78-F80 PolarHBondContact O-N 3.28Å; I78-L81 PolarHBondContact O-N 2.85Å; I78-L81 VanDerWaalsContact O-N 3.16Å; I78-Q82 HydrophobicContact CG2-CG 4.28Å; I78-Q82 WeakPolarHBondContact O-CG 3.5Å; I78-Q82 PolarHBondContact O-N 3.24Å
79E96.4Very high95.3Very high67 Ų6761.6 Ų61.631%0.31332%0.317SS..Hα-helixtrans-62.9-35.6177.9-77173.4-140.200113Q75 Q76 Q82 K83Q75-E79 WeakPolarHBondContact CG-OE1 3.34Å; Q75-E79 PolarHBondContact NE2-OE1 2.93Å; Q75-E79 WeakPolarHBondContact O-CG 3.47Å; Q75-E79 PolarHBondContact O-N 2.83Å; Q76-E79 PolarHBondContact O-N 3.21Å; E79-Q82 PolarHBondContact O-N 3.35Å; E79-K83 WeakPolarHBondContact O-CB 3.31Å; E79-K83 WeakPolarHBondContact O-CD 3.48Å; E79-K83 VanDerWaalsContact O-CG 3.25Å; E79-K83 WeakPolarHBondContact O-CG 3.4Å; E79-K83 PolarHBondContact O-N 3.24Å; E79-K83 IonicContact OE2-NZ 2.81Å; E79-K83 PolarHBondContact OE2-NZ 3.11Å
80F97Very high95.3Very high63 Ų6360.6 Ų60.628%0.27630%0.299SS..Hα-helixtrans-60.6-47.8172.5173.5-101.2000111M42 Q76 I78 Q82 K83 H84M42-F80 HydrophobicContact CE-CD1 3.8Å; M42-F80 HydrophobicContact CE-CE1 4.35Å; M42-F80 WeakPolarHBondContact O-CE1 3.23Å; Q76-F80 WeakPolarHBondContact O-CB 3.5Å; Q76-F80 PolarHBondContact O-N 3.2Å; I78-F80 VanDerWaalsContact C-N 3.29Å; I78-F80 PolarHBondContact O-N 3.28Å; F80-Q82 PolarHBondContact O-N 3.25Å; F80-K83 PolarHBondContact O-N 2.93Å; F80-H84 AromaticContact CD2-CE1 3.59Å; F80-H84 AromaticContact CD2-ND1 3.78Å; F80-H84 AromaticContact CE2-CE1 3.29Å; F80-H84 WeakPolarHBondContact CE2-CE1 3.09Å; F80-H84 AromaticContact CE2-ND1 3.71Å; F80-H84 AromaticContact CE2-NE2 3.86Å; F80-H84 AromaticContact CZ-CE1 3.97Å; F80-H84 PolarHBondContact O-N 2.83Å; F80-H84 PolarHBondContact O-ND1 3.11Å
81L96.7Very high95.3Very high1 Ų156.1 Ų56.11%0.00528%0.276CS..Hα-helixtrans-64-39.3176.6-69165000112.2L17 M20 V40 M42 E77 I78 K83 H84 G85L17-L81 HydrophobicContact CD1-CD1 4.12Å; M20-L81 HydrophobicContact CE-CB 3.77Å; M20-L81 HydrophobicContact CE-CD1 4.42Å; M20-L81 VanDerWaalsContact SD-C 3.57Å; M20-L81 HydrophobicContact SD-CB 3.73Å; V40-L81 HydrophobicContact CB-CD1 4.32Å; V40-L81 HydrophobicContact CB-CD2 3.98Å; V40-L81 HydrophobicContact CG1-CD1 4.17Å; V40-L81 HydrophobicContact CG1-CD2 4.04Å; V40-L81 HydrophobicContact CG2-CD1 4.15Å; M42-L81 HydrophobicContact CE-CG 4.4Å; M42-L81 HydrophobicContact SD-CD1 4.22Å; M42-L81 HydrophobicContact SD-CD2 4.48Å; M42-L81 HydrophobicContact SD-CG 4.47Å; E77-L81 WeakPolarHBondContact O-CD1 3.34Å; E77-L81 WeakPolarHBondContact O-CG 3.13Å; E77-L81 PolarHBondContact O-N 3.4Å; I78-L81 PolarHBondContact O-N 2.85Å; I78-L81 VanDerWaalsContact O-N 3.16Å; L81-K83 VanDerWaalsContact C-N 3.29Å; L81-K83 PolarHBondContact O-N 3.42Å; L81-H84 CarbonylContact O-C 3.54Å; L81-H84 PolarHBondContact O-N 3.39Å; L81-H84 VanDerWaalsContact O-N 3.12Å; L81-G85 PolarHBondContact O-N 2.86Å
82Q95.1Very high95.3Very high99 Ų9954.8 Ų54.846%0.46327%0.268SS..Hα-helixtrans-64-32176.7-74.4176.8-20.900113M20 I78 E79 F80 H84M20-Q82 HydrophobicContact CE-CG 4.09Å; M20-Q82 HydrophobicContact CG-CG 4.12Å; M20-Q82 HydrophobicContact SD-CB 4.12Å; M20-Q82 HydrophobicContact SD-CG 3.4Å; M20-Q82 WeakPolarHBondContact SD-CG 3.23Å; M20-Q82 PolarHBondContact SD-N 3.27Å; M20-Q82 VanDerWaalsContact SD-N 3.4Å; I78-Q82 HydrophobicContact CG2-CG 4.28Å; I78-Q82 WeakPolarHBondContact O-CG 3.5Å; I78-Q82 PolarHBondContact O-N 3.24Å; E79-Q82 PolarHBondContact O-N 3.35Å; F80-Q82 PolarHBondContact O-N 3.25Å; Q82-H84 VanDerWaalsContact C-N 3.3Å
83K94.8Very high95.3Very high140 Ų14052.4 Ų52.461%0.60925%0.249SC*.THydrogen-bonded Turntrans-82.3-5.7176.3-68.7162.4-172.7162.20113.3E79 F80 L81E79-K83 WeakPolarHBondContact O-CB 3.31Å; E79-K83 WeakPolarHBondContact O-CD 3.48Å; E79-K83 VanDerWaalsContact O-CG 3.25Å; E79-K83 WeakPolarHBondContact O-CG 3.4Å; E79-K83 PolarHBondContact O-N 3.24Å; E79-K83 IonicContact OE2-NZ 2.81Å; E79-K83 PolarHBondContact OE2-NZ 3.11Å; F80-K83 PolarHBondContact O-N 2.93Å; L81-K83 VanDerWaalsContact C-N 3.29Å; L81-K83 PolarHBondContact O-N 3.42Å
84H95.2Very high95.1Very high60 Ų6053 Ų5328%0.27825%0.253SS..  trans-123.3-105.3179.5-6578.9000110.6F80 L81 Q82 V88F80-H84 AromaticContact CD2-CE1 3.59Å; F80-H84 AromaticContact CD2-ND1 3.78Å; F80-H84 AromaticContact CE2-CE1 3.29Å; F80-H84 WeakPolarHBondContact CE2-CE1 3.09Å; F80-H84 AromaticContact CE2-ND1 3.71Å; F80-H84 AromaticContact CE2-NE2 3.86Å; F80-H84 AromaticContact CZ-CE1 3.97Å; F80-H84 PolarHBondContact O-N 2.83Å; F80-H84 PolarHBondContact O-ND1 3.11Å; L81-H84 CarbonylContact O-C 3.54Å; L81-H84 PolarHBondContact O-N 3.39Å; L81-H84 VanDerWaalsContact O-N 3.12Å; Q82-H84 VanDerWaalsContact C-N 3.3Å; H84-V88 WeakPolarHBondContact O-CB 3.34Å; H84-V88 VanDerWaalsContact O-CG2 3.29Å; H84-V88 WeakPolarHBondContact O-CG2 3.39Å
85G94.9Very high94.8Very high4 Ų451 Ų514%0.04125%0.245CC..Hα-helixtrans73.7167.5-170.600000112.9G45 L81 E87 V88 C89G45-G85 WeakPolarHBondContact O-CA 3.23Å; G45-G85 PolarHBondContact O-N 2.87Å; L81-G85 PolarHBondContact O-N 2.86Å; G85-E87 PolarHBondContact O-N 2.75Å; G85-E87 VanDerWaalsContact O-N 3.11Å; G85-V88 PolarHBondContact O-N 3.15Å; G85-C89 WeakPolarHBondContact O-CB 3.36Å; G85-C89 PolarHBondContact O-N 2.96Å; G85-C89 PolarHBondContact O-SG 2.81Å
86N96.2Very high94.4Very high7 Ų754.3 Ų54.34%0.03726%0.264CS..Hα-helixtrans-62.3-25.1-170.3-71.5-0.3000114.1H25 N26 K28 F30 S46 F47 K90H25-N86 HydrophobicContact CB-CB 4.31Å; H25-N86 VanDerWaalsContact O-CB 3.23Å; H25-N86 WeakPolarHBondContact O-CB 3.22Å; H25-N86 PolarHBondContact O-ND2 3.25Å; N26-N86 WeakPolarHBondContact OD1-CB 3.48Å; N26-N86 PolarHBondContact OD1-N 3.27Å; K28-N86 PolarHBondContact O-ND2 2.96Å; F30-N86 HydrophobicContact CD2-CB 4.06Å; S46-N86 WeakPolarHBondContact CA-OD1 3.33Å; F47-N86 PolarHBondContact N-OD1 3.08Å; F47-N86 PolarHBondContact O-ND2 3.01Å; N86-K90 WeakPolarHBondContact O-CB 3.37Å; N86-K90 PolarHBondContact O-N 2.81Å
87E94.4Very high93.9Very high106 Ų10647.9 Ų47.950%0.49523%0.233SC..Hα-helixtrans-66.3-58.2177.6-174.8165.9-173.300111.4H25 G85 C89 K90 Q91H25-E87 HydrophobicContact CB-CB 4Å; H25-E87 IonicContact CE1-OE1 2.64Å; H25-E87 PolarHBondContact CE1-OE1 2.8Å; H25-E87 IonicContact CE1-OE2 3.37Å; H25-E87 PolarHBondContact CE1-OE2 3.37Å; H25-E87 IonicContact CG-OE2 3.05Å; H25-E87 IonicContact ND1-OE1 2.84Å; H25-E87 IonicContact ND1-OE2 2.77Å; H25-E87 PolarHBondContact ND1-OE2 2.86Å; G85-E87 PolarHBondContact O-N 2.75Å; G85-E87 VanDerWaalsContact O-N 3.11Å; E87-C89 VanDerWaalsContact C-N 3.28Å; E87-C89 PolarHBondContact O-N 3.48Å; E87-K90 PolarHBondContact O-N 3.29Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-Q91 PolarHBondContact O-N 2.84Å
88V94.3Very high93.2Very high61 Ų6150.4 Ų50.437%0.3725%0.247SC..Hα-helixtrans-60.7-40.3174.2-179.70000110.2H84 G85 K90 Q91 I92H84-V88 WeakPolarHBondContact O-CB 3.34Å; H84-V88 VanDerWaalsContact O-CG2 3.29Å; H84-V88 WeakPolarHBondContact O-CG2 3.39Å; G85-V88 PolarHBondContact O-N 3.15Å; V88-K90 VanDerWaalsContact C-N 3.35Å; V88-K90 PolarHBondContact O-N 3.26Å; V88-Q91 PolarHBondContact O-N 3.39Å; V88-I92 HydrophobicContact CG1-CD1 3.78Å; V88-I92 WeakPolarHBondContact O-CG1 3.27Å; V88-I92 PolarHBondContact O-N 3.41Å; V88-I92 VanDerWaalsContact O-N 3.12Å
89C95.4Very high92.1Very high0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-63.8-34175.6-620000113.1F30 V44 G85 E87 I92 W93F30-C89 HydrophobicContact CD1-CB 4.35Å; F30-C89 HydrophobicContact CD2-CB 4.18Å; F30-C89 HydrophobicContact CE1-CB 3.87Å; F30-C89 HydrophobicContact CE2-CB 3.72Å; F30-C89 HydrophobicContact CZ-CB 3.56Å; F30-C89 WeakPolarHBondContact CZ-O 3.45Å; V44-C89 HydrophobicContact CG1-CB 4.34Å; V44-C89 PolarHBondContact O-SG 2.77Å; V44-C89 VanDerWaalsContact O-SG 3.41Å; G85-C89 WeakPolarHBondContact O-CB 3.36Å; G85-C89 PolarHBondContact O-N 2.96Å; G85-C89 PolarHBondContact O-SG 2.81Å; E87-C89 VanDerWaalsContact C-N 3.28Å; E87-C89 PolarHBondContact O-N 3.48Å; C89-I92 PolarHBondContact O-N 2.71Å; C89-W93 PolarHBondContact O-N 2.99Å
90K93.1Very high90.9Very high80 Ų8062.9 Ų62.935%0.34830%0.298SS..Hα-helixtrans-65-46.9175.6-170.7171.7-179171.30110F30 N86 E87 V88 I92 L94 G95 D99F30-K90 HydrophobicContact CE2-CB 4.08Å; N86-K90 WeakPolarHBondContact O-CB 3.37Å; N86-K90 PolarHBondContact O-N 2.81Å; E87-K90 PolarHBondContact O-N 3.29Å; E87-K90 VanDerWaalsContact O-N 3.11Å; V88-K90 VanDerWaalsContact C-N 3.35Å; V88-K90 PolarHBondContact O-N 3.26Å; K90-I92 PolarHBondContact O-N 2.97Å; K90-L94 HydrophobicContact CG-CB 3.92Å; K90-L94 HydrophobicContact CG-CD1 4.13Å; K90-L94 CarbonylContact O-C 3.43Å; K90-L94 VanDerWaalsContact O-CA 3.28Å; K90-L94 WeakPolarHBondContact O-CA 3.16Å; K90-L94 WeakPolarHBondContact O-CB 3.4Å; K90-L94 PolarHBondContact O-N 2.98Å; K90-G95 PolarHBondContact O-N 2.91Å; K90-D99 IonicContact NZ-OD1 2.69Å; K90-D99 IonicContact NZ-OD2 2.68Å; K90-D99 PolarHBondContact NZ-OD2 3.04Å
91Q92.8Very high89.6Confident65 Ų6564.4 Ų64.430%0.30432%0.317SS..Hα-helixtrans-61.9-30.1178.4-54-61.7-1.400112.9E87 V88 G95 A133 A137E87-Q91 PolarHBondContact O-N 2.84Å; V88-Q91 PolarHBondContact O-N 3.39Å; Q91-G95 WeakPolarHBondContact O-CA 3.44Å; Q91-A133 HydrophobicContact CB-CB 4.15Å; Q91-A137 HydrophobicContact CG-CB 4.05Å
92I94.6Very high88.3Confident13 Ų1365.2 Ų65.27%0.06732%0.323CS..Hα-helixtrans-83.5-54178.7-66168.2000112.4V88 C89 K90 Y127 V128 P130 A133V88-I92 HydrophobicContact CG1-CD1 3.78Å; V88-I92 WeakPolarHBondContact O-CG1 3.27Å; V88-I92 PolarHBondContact O-N 3.41Å; V88-I92 VanDerWaalsContact O-N 3.12Å; C89-I92 PolarHBondContact O-N 2.71Å; K90-I92 PolarHBondContact O-N 2.97Å; I92-Y127 HydrophobicContact CG2-CD2 3.9Å; I92-Y127 HydrophobicContact CG2-CE2 3.47Å; I92-Y127 VanDerWaalsContact CG2-CE2 3.47Å; I92-Y127 CarbonylContact O-C 3.54Å; I92-Y127 WeakPolarHBondContact O-CA 3.44Å; I92-V128 PolarHBondContact O-N 3.43Å; I92-P130 HydrophobicContact CD1-CB 3.88Å; I92-P130 HydrophobicContact CG1-CB 4.21Å; I92-A133 HydrophobicContact CG1-CB 3.93Å
93W94.1Very high87Confident35 Ų3565 Ų6513%0.13334%0.338CS..Hα-helixtrans-97.1-8.8-168.8-6394.5000114.4F30 V44 C89 K120 Y121 K124 W126 Y127F30-W93 HydrophobicContact CE1-CB 4.25Å; F30-W93 HydrophobicContact CZ-CB 4.1Å; V44-W93 HydrophobicContact CG2-CZ2 4.09Å; C89-W93 PolarHBondContact O-N 2.99Å; W93-K120 HydrophobicContact CB-CG 4.4Å; W93-Y121 HydrophobicContact CB-CE1 4.47Å; W93-Y121 AromaticContact CD2-CD1 3.75Å; W93-Y121 HydrophobicContact CD2-CD1 3.75Å; W93-Y121 AromaticContact CD2-CE1 3.74Å; W93-Y121 HydrophobicContact CD2-CE1 3.74Å; W93-Y121 AromaticContact CE3-CD1 3.47Å; W93-Y121 HydrophobicContact CE3-CD1 3.47Å; W93-Y121 VanDerWaalsContact CE3-CD1 3.47Å; W93-Y121 AromaticContact CE3-CE1 3.94Å; W93-Y121 HydrophobicContact CE3-CE1 3.94Å; W93-Y121 HydrophobicContact CE3-CG 4.48Å; W93-Y121 HydrophobicContact CG-CD1 4.43Å; W93-Y121 AromaticContact CG-CE1 3.97Å; W93-Y121 HydrophobicContact CG-CE1 3.97Å; W93-Y121 HydrophobicContact CH2-CD1 4.07Å; W93-Y121 HydrophobicContact CZ2-CD1 4.32Å; W93-Y121 AromaticContact CZ3-CD1 3.66Å; W93-Y121 HydrophobicContact CZ3-CD1 3.66Å; W93-Y121 HydrophobicContact CZ3-CE1 4.48Å; W93-K124 HydrophobicContact CZ3-CG 4.27Å; W93-W126 CarbonylContact C-O 3.54Å; W93-Y127 AromaticContact CD2-CD2 3.89Å; W93-Y127 HydrophobicContact CD2-CD2 3.89Å; W93-Y127 HydrophobicContact CD2-CE2 4.28Å; W93-Y127 AromaticContact CE3-CD2 3.56Å; W93-Y127 HydrophobicContact CE3-CD2 3.56Å; W93-Y127 HydrophobicContact CE3-CE2 4.22Å; W93-Y127 HydrophobicContact CH2-CD2 4.05Å; W93-Y127 AromaticContact CH2-CE2 3.97Å; W93-Y127 HydrophobicContact CH2-CE2 3.97Å; W93-Y127 HydrophobicContact CZ2-CD2 4.33Å; W93-Y127 HydrophobicContact CZ2-CE2 4.01Å; W93-Y127 AromaticContact CZ3-CD2 3.64Å; W93-Y127 HydrophobicContact CZ3-CD2 3.64Å; W93-Y127 HydrophobicContact CZ3-CE2 4.06Å
94L91.2Very high86.1Confident20 Ų2062.9 Ų62.911%0.10533%0.332CS..SBendtrans-134.520.7179.6-62.7173000110.2F30 K90 L96 F97 K120F30-L94 HydrophobicContact CE2-CD1 4.2Å; F30-L94 HydrophobicContact CZ-CD1 4.21Å; F30-L94 HydrophobicContact CZ-CG 4.49Å; K90-L94 HydrophobicContact CG-CB 3.92Å; K90-L94 HydrophobicContact CG-CD1 4.13Å; K90-L94 CarbonylContact O-C 3.43Å; K90-L94 VanDerWaalsContact O-CA 3.28Å; K90-L94 WeakPolarHBondContact O-CA 3.16Å; K90-L94 WeakPolarHBondContact O-CB 3.4Å; K90-L94 PolarHBondContact O-N 2.98Å; L94-L96 PolarHBondContact O-N 3.47Å; L94-F97 HydrophobicContact CB-CB 3.75Å; L94-F97 HydrophobicContact CB-CG 4.41Å; L94-F97 HydrophobicContact CD2-CB 3.8Å; L94-F97 HydrophobicContact CD2-CD1 4.35Å; L94-F97 HydrophobicContact CD2-CD2 3.79Å; L94-F97 HydrophobicContact CD2-CE2 4.45Å; L94-F97 HydrophobicContact CD2-CG 3.74Å; L94-F97 HydrophobicContact CG-CB 4.37Å; L94-F97 VanDerWaalsContact O-CB 3.31Å; L94-F97 WeakPolarHBondContact O-CB 3.26Å; L94-F97 PolarHBondContact O-N 2.91Å; L94-K120 HydrophobicContact CD2-CD 4.24Å; L94-K120 HydrophobicContact CD2-CG 4.5Å
95G88.8Confident85.2Confident23 Ų2360.9 Ų60.924%0.23732%0.324CS..THydrogen-bonded Turntrans-68.8-18.5-177.100000114.2K90 Q91 W126K90-G95 PolarHBondContact O-N 2.91Å; Q91-G95 WeakPolarHBondContact O-CA 3.44Å; G95-W126 PolarHBondContact N-O 2.98Å
96L87.1Confident84.4Confident122 Ų12264.5 Ų64.564%0.63934%0.343SS*.THydrogen-bonded Turntrans-110.511.8168.7-55.6177.1000112.6L94 W126 V128L94-L96 PolarHBondContact O-N 3.47Å; L96-W126 HydrophobicContact CB-CB 4.39Å; L96-W126 PolarHBondContact N-O 3.31Å; L96-V128 HydrophobicContact CD2-CG2 4.15Å; L96-V128 HydrophobicContact CG-CG2 3.81Å
97F86.3Confident83.5Confident21 Ų2166.8 Ų66.89%0.09235%0.352CS..  trans-90.2108.6-179.1-172.4-88.8000110.1L94 D99 I104 F116 W126L94-F97 HydrophobicContact CB-CB 3.75Å; L94-F97 HydrophobicContact CB-CG 4.41Å; L94-F97 HydrophobicContact CD2-CB 3.8Å; L94-F97 HydrophobicContact CD2-CD1 4.35Å; L94-F97 HydrophobicContact CD2-CD2 3.79Å; L94-F97 HydrophobicContact CD2-CE2 4.45Å; L94-F97 HydrophobicContact CD2-CG 3.74Å; L94-F97 HydrophobicContact CG-CB 4.37Å; L94-F97 VanDerWaalsContact O-CB 3.31Å; L94-F97 WeakPolarHBondContact O-CB 3.26Å; L94-F97 PolarHBondContact O-N 2.91Å; F97-D99 VanDerWaalsContact CE1-OD1 3.32Å; F97-D99 WeakPolarHBondContact CE1-OD1 3.46Å; F97-I104 HydrophobicContact CZ-CG1 4.2Å; F97-F116 AromaticContact CE2-CE2 3.85Å; F97-F116 HydrophobicContact CE2-CE2 3.85Å; F97-F116 HydrophobicContact CE2-CZ 4.27Å; F97-F116 HydrophobicContact CZ-CE2 4.45Å; F97-W126 HydrophobicContact CB-CB 4.08Å; F97-W126 HydrophobicContact CB-CG 3.98Å; F97-W126 AromaticContact CD2-CD2 3.67Å; F97-W126 HydrophobicContact CD2-CD2 3.67Å; F97-W126 AromaticContact CD2-CE2 3.59Å; F97-W126 HydrophobicContact CD2-CE3 4.15Å; F97-W126 AromaticContact CD2-CG 3.94Å; F97-W126 HydrophobicContact CD2-CG 3.94Å; F97-W126 HydrophobicContact CD2-CH2 4.47Å; F97-W126 HydrophobicContact CD2-CZ2 4.01Å; F97-W126 AromaticContact CD2-NE1 3.77Å; F97-W126 HydrophobicContact CE2-CD2 4.44Å; F97-W126 HydrophobicContact CE2-CH2 4.32Å; F97-W126 HydrophobicContact CE2-CZ2 4.04Å; F97-W126 HydrophobicContact CG-CG 4.48Å
98D81.1Confident82.7Confident72 Ų7272.3 Ų72.339%0.38537%0.369SS..  trans-83.3117.2167.8166.432.9000109.9R100 S101 S102D98-R100 PolarHBondContact O-N 2.73Å; D98-R100 VanDerWaalsContact O-N 3.1Å; D98-R100 WeakPolarHBondContact OD1-CB 3.18Å; D98-R100 PolarHBondContact OD1-N 2.91Å; D98-S101 PolarHBondContact O-N 2.84Å; D98-S101 WeakPolarHBondContact OD2-CB 3.13Å; D98-S101 PolarHBondContact OD2-N 2.91Å; D98-S101 PolarHBondContact OD2-OG 3.22Å; D98-S102 WeakPolarHBondContact O-CB 3.43Å; D98-S102 PolarHBondContact O-N 2.87Å; D98-S102 PolarHBondContact O-OG 3.02Å
99D75.3Confident82.3Confident88 Ų8871.6 Ų71.647%0.47136%0.363SS..THydrogen-bonded Turntrans-62.3-9.4177.5-69.6-50.8000113.2K90 F97K90-D99 IonicContact NZ-OD1 2.69Å; K90-D99 IonicContact NZ-OD2 2.68Å; K90-D99 PolarHBondContact NZ-OD2 3.04Å; F97-D99 VanDerWaalsContact CE1-OD1 3.32Å; F97-D99 WeakPolarHBondContact CE1-OD1 3.46Å
100R71Confident81.8Confident240 Ų24076 Ų7691%0.90639%0.391SS*.THydrogen-bonded Turntrans-98.4-39.7176.2-64.8-174.1176.9-165.10.1115.1D98D98-R100 PolarHBondContact O-N 2.73Å; D98-R100 VanDerWaalsContact O-N 3.1Å; D98-R100 WeakPolarHBondContact OD1-CB 3.18Å; D98-R100 PolarHBondContact OD1-N 2.91Å
101S68.4Low81.5Confident95 Ų9577.1 Ų77.166%0.66440%0.398SS*.THydrogen-bonded Turntrans-98.9-19.1-178.360.50000114.3D98D98-S101 PolarHBondContact O-N 2.84Å; D98-S101 WeakPolarHBondContact OD2-CB 3.13Å; D98-S101 PolarHBondContact OD2-N 2.91Å; D98-S101 PolarHBondContact OD2-OG 3.22Å
102S70.3Confident81.4Confident19 Ų1978.6 Ų78.613%0.13340%0.403CS..SBendtrans-83.7119.7177.8-51.20000110.4D98 I104D98-S102 WeakPolarHBondContact O-CB 3.43Å; D98-S102 PolarHBondContact O-N 2.87Å; D98-S102 PolarHBondContact O-OG 3.02Å; S102-I104 PolarHBondContact O-N 3.14Å
103A67.6Low81.2Confident94 Ų9478.2 Ų78.278%0.77740%0.402SS*.  trans-65.3100.3178.900000111.4
104I75.3Confident80.9Confident95 Ų9580.1 Ų80.149%0.48741%0.411SS..  trans-61.7124.1171.2-59178000107.8F97 S102 F107F97-I104 HydrophobicContact CZ-CG1 4.2Å; S102-I104 PolarHBondContact O-N 3.14Å; I104-F107 HydrophobicContact CG2-CE2 3.4Å; I104-F107 VanDerWaalsContact CG2-CE2 3.4Å; I104-F107 HydrophobicContact CG2-CZ 3.47Å; I104-F107 VanDerWaalsContact CG2-CZ 3.47Å
105P77.4Confident80.9Confident18 Ų1883.5 Ų83.512%0.11743%0.426CS..  trans-69.8153.4-176.831.4-38.2000111.4F107 K112 F116P105-F107 HydrophobicContact CG-CD1 4.16Å; P105-F107 HydrophobicContact CG-CE1 3.6Å; P105-F107 HydrophobicContact CG-CZ 4.08Å; P105-F107 PolarHBondContact O-N 3.46Å; P105-K112 HydrophobicContact CB-CB 4.1Å; P105-F116 HydrophobicContact CB-CB 4.28Å; P105-F116 HydrophobicContact CG-CB 3.75Å; P105-F116 HydrophobicContact CG-CD1 3.93Å; P105-F116 HydrophobicContact CG-CD2 4.23Å; P105-F116 HydrophobicContact CG-CG 3.7Å
106D77.4Confident81.1Confident81 Ų8183.5 Ų83.543%0.43342%0.42SS..  trans-67.2105.6168.3-176.7-1000109.6R108 D109D106-R108 PolarHBondContact O-N 3.05Å; D106-R108 VanDerWaalsContact OD1-CB 3.23Å; D106-R108 WeakPolarHBondContact OD1-CB 3.32Å; D106-R108 WeakPolarHBondContact OD1-CG 2.96Å; D106-R108 PolarHBondContact OD1-N 2.89Å; D106-D109 PolarHBondContact O-N 2.85Å
107F76.6Confident81.4Confident54 Ų5477.7 Ų77.724%0.23739%0.389CS..THydrogen-bonded Turntrans-66.3-1.7-179.7-57.9-64.2000114.5D31 C32 I104 P105 V113D31-F107 WeakPolarHBondContact O-CE1 3.33Å; C32-F107 VanDerWaalsContact CA-CE1 3.47Å; C32-F107 HydrophobicContact CB-CB 4.13Å; C32-F107 HydrophobicContact CB-CD1 3.3Å; C32-F107 HydrophobicContact CB-CD2 4.13Å; C32-F107 HydrophobicContact CB-CE1 3.64Å; C32-F107 HydrophobicContact CB-CE2 4.38Å; C32-F107 HydrophobicContact CB-CG 3.59Å; C32-F107 HydrophobicContact CB-CZ 4.17Å; I104-F107 HydrophobicContact CG2-CE2 3.4Å; I104-F107 VanDerWaalsContact CG2-CE2 3.4Å; I104-F107 HydrophobicContact CG2-CZ 3.47Å; I104-F107 VanDerWaalsContact CG2-CZ 3.47Å; P105-F107 HydrophobicContact CG-CD1 4.16Å; P105-F107 HydrophobicContact CG-CE1 3.6Å; P105-F107 HydrophobicContact CG-CZ 4.08Å; P105-F107 PolarHBondContact O-N 3.46Å; F107-V113 HydrophobicContact CB-CG2 4.45Å; F107-V113 HydrophobicContact CD1-CG2 3.88Å
108R78.1Confident81.8Confident222 Ų22279.2 Ų79.284%0.83840%0.397SS*.THydrogen-bonded Turntrans-79.9-18.2168.5-57.4173.970.5-171.72113D106 P110D106-R108 PolarHBondContact O-N 3.05Å; D106-R108 VanDerWaalsContact OD1-CB 3.23Å; D106-R108 WeakPolarHBondContact OD1-CB 3.32Å; D106-R108 WeakPolarHBondContact OD1-CG 2.96Å; D106-R108 PolarHBondContact OD1-N 2.89Å; R108-P110 WeakPolarHBondContact O-CD 3.37Å
109D86.4Confident82.3Confident46 Ų4677.6 Ų77.625%0.24639%0.387CS..  trans-105.2104.4-175.6-177.5-16.8000110.5D106 Q111 K112 V113D106-D109 PolarHBondContact O-N 2.85Å; D109-Q111 PolarHBondContact O-N 2.87Å; D109-Q111 VanDerWaalsContact O-N 3.14Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.1Å; D109-Q111 PolarHBondContact OD1-N 3.21Å; D109-K112 HydrophobicContact CB-CB 4.24Å; D109-K112 HydrophobicContact CB-CD 4.1Å; D109-K112 HydrophobicContact CB-CG 4.33Å; D109-K112 PolarHBondContact O-N 3.42Å; D109-K112 PolarHBondContact OD1-N 3.4Å; D109-K112 VanDerWaalsContact OD2-CD 3.25Å; D109-K112 WeakPolarHBondContact OD2-CD 3.33Å; D109-K112 WeakPolarHBondContact OD2-CE 3.44Å; D109-K112 WeakPolarHBondContact OD2-CG 3.18Å; D109-K112 IonicContact OD2-NZ 2.67Å; D109-K112 PolarHBondContact OD2-NZ 2.66Å; D109-V113 WeakPolarHBondContact O-CG2 3.47Å; D109-V113 PolarHBondContact O-N 2.94Å; D109-V113 VanDerWaalsContact O-N 3.07Å
110P85.1Confident83.2Confident93 Ų9373.4 Ų73.460%0.60437%0.365SS*.Hα-helixtrans-59.8-26.5-177.3-24.234.9000114R108 K114R108-P110 WeakPolarHBondContact O-CD 3.37Å; P110-K114 WeakPolarHBondContact O-CB 3.35Å; P110-K114 PolarHBondContact O-N 2.94Å
111Q87.6Confident84.4Confident103 Ų10362.4 Ų62.448%0.48132%0.323SS..Hα-helixtrans-72.9-48.4-179.3-179.760.122.800110.5D109 V113 K114 E115D109-Q111 PolarHBondContact O-N 2.87Å; D109-Q111 VanDerWaalsContact O-N 3.14Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.1Å; D109-Q111 PolarHBondContact OD1-N 3.21Å; Q111-V113 VanDerWaalsContact C-N 3.3Å; Q111-V113 PolarHBondContact O-N 3.25Å; Q111-K114 WeakPolarHBondContact O-CB 3.41Å; Q111-K114 PolarHBondContact O-N 3.04Å; Q111-K114 VanDerWaalsContact O-N 3.11Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.13Å; Q111-E115 PolarHBondContact NE2-OE1 3.47Å; Q111-E115 WeakPolarHBondContact O-CG 3.43Å; Q111-E115 PolarHBondContact O-N 3.46Å
112K89.3Confident85.6Confident96 Ų9661.1 Ų61.142%0.41731%0.306SS..Hα-helixtrans-62.6-37.3174.2-69.7174.9-170.61370112.4P105 D109 E115 F116P105-K112 HydrophobicContact CB-CB 4.1Å; D109-K112 HydrophobicContact CB-CB 4.24Å; D109-K112 HydrophobicContact CB-CD 4.1Å; D109-K112 HydrophobicContact CB-CG 4.33Å; D109-K112 PolarHBondContact O-N 3.42Å; D109-K112 PolarHBondContact OD1-N 3.4Å; D109-K112 VanDerWaalsContact OD2-CD 3.25Å; D109-K112 WeakPolarHBondContact OD2-CD 3.33Å; D109-K112 WeakPolarHBondContact OD2-CE 3.44Å; D109-K112 WeakPolarHBondContact OD2-CG 3.18Å; D109-K112 IonicContact OD2-NZ 2.67Å; D109-K112 PolarHBondContact OD2-NZ 2.66Å; K112-E115 PolarHBondContact O-N 3.02Å; K112-F116 WeakPolarHBondContact O-CB 3.18Å; K112-F116 PolarHBondContact O-N 3.26Å
113V89.9Confident86.7Confident6 Ų666.8 Ų66.84%0.03633%0.329CS..Hα-helixtrans-62.5-43.7173174.90000110.8F107 D109 Q111 L117F107-V113 HydrophobicContact CB-CG2 4.45Å; F107-V113 HydrophobicContact CD1-CG2 3.88Å; D109-V113 WeakPolarHBondContact O-CG2 3.47Å; D109-V113 PolarHBondContact O-N 2.94Å; D109-V113 VanDerWaalsContact O-N 3.07Å; Q111-V113 VanDerWaalsContact C-N 3.3Å; Q111-V113 PolarHBondContact O-N 3.25Å; V113-L117 HydrophobicContact CG1-CD1 3.84Å; V113-L117 HydrophobicContact CG1-CG 4.38Å; V113-L117 WeakPolarHBondContact O-CB 3.45Å; V113-L117 WeakPolarHBondContact O-CD1 3.29Å; V113-L117 WeakPolarHBondContact O-CG 3.23Å; V113-L117 PolarHBondContact O-N 2.98Å
114K89.4Confident87.9Confident74 Ų7467.4 Ų67.432%0.32231%0.314SS..Hα-helixtrans-61-50.4174.9-174.7-178.6177.1-179.50111.4G58 P110 Q111 F116 L117 Q118G58-K114 WeakPolarHBondContact O-CE 3.45Å; P110-K114 WeakPolarHBondContact O-CB 3.35Å; P110-K114 PolarHBondContact O-N 2.94Å; Q111-K114 WeakPolarHBondContact O-CB 3.41Å; Q111-K114 PolarHBondContact O-N 3.04Å; Q111-K114 VanDerWaalsContact O-N 3.11Å; K114-F116 VanDerWaalsContact C-N 3.34Å; K114-F116 PolarHBondContact O-N 3.04Å; K114-L117 WeakPolarHBondContact O-CB 3.47Å; K114-L117 PolarHBondContact O-N 2.58Å; K114-L117 VanDerWaalsContact O-N 3.1Å; K114-Q118 HydrophobicContact CG-CG 4.47Å; K114-Q118 WeakPolarHBondContact O-CG 3.3Å; K114-Q118 PolarHBondContact O-N 2.89Å
115E91.4Very high88.7Confident92 Ų9270.3 Ų70.343%0.4332%0.319SS..Hα-helixtrans-57.9-44.8-179.7-72.4166.9-170.600111.9Q111 K112 Q118 E119Q111-E115 WeakPolarHBondContact CG-OE1 3.13Å; Q111-E115 PolarHBondContact NE2-OE1 3.47Å; Q111-E115 WeakPolarHBondContact O-CG 3.43Å; Q111-E115 PolarHBondContact O-N 3.46Å; K112-E115 PolarHBondContact O-N 3.02Å; E115-Q118 WeakPolarHBondContact O-CB 3.41Å; E115-Q118 PolarHBondContact O-N 3.45Å; E115-E119 WeakPolarHBondContact O-CG 3.41Å; E115-E119 PolarHBondContact O-N 2.91Å
116F92.2Very high89.4Confident22 Ų2270.6 Ų70.610%0.09632%0.317CS..Hα-helixtrans-62.2-41173.7174.2-106.7000113.1F97 P105 K112 K114 Q118 E119 K120 W126F97-F116 AromaticContact CE2-CE2 3.85Å; F97-F116 HydrophobicContact CE2-CE2 3.85Å; F97-F116 HydrophobicContact CE2-CZ 4.27Å; F97-F116 HydrophobicContact CZ-CE2 4.45Å; P105-F116 HydrophobicContact CB-CB 4.28Å; P105-F116 HydrophobicContact CG-CB 3.75Å; P105-F116 HydrophobicContact CG-CD1 3.93Å; P105-F116 HydrophobicContact CG-CD2 4.23Å; P105-F116 HydrophobicContact CG-CG 3.7Å; K112-F116 WeakPolarHBondContact O-CB 3.18Å; K112-F116 PolarHBondContact O-N 3.26Å; K114-F116 VanDerWaalsContact C-N 3.34Å; K114-F116 PolarHBondContact O-N 3.04Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-Q118 PolarHBondContact O-N 2.98Å; F116-E119 WeakPolarHBondContact O-CB 3.34Å; F116-E119 PolarHBondContact O-N 3.1Å; F116-K120 HydrophobicContact CE1-CD 4.18Å; F116-K120 HydrophobicContact CZ-CD 4.34Å; F116-K120 VanDerWaalsContact O-CB 3.3Å; F116-K120 WeakPolarHBondContact O-CB 3.3Å; F116-K120 PolarHBondContact O-N 2.86Å; F116-W126 AromaticContact CD2-CH2 3.92Å; F116-W126 HydrophobicContact CD2-CH2 3.92Å; F116-W126 HydrophobicContact CD2-CZ3 4.01Å; F116-W126 AromaticContact CE2-CH2 3.76Å; F116-W126 HydrophobicContact CE2-CH2 3.76Å; F116-W126 AromaticContact CE2-CZ3 3.68Å; F116-W126 HydrophobicContact CE2-CZ3 3.68Å
117L93.5Very high90.2Very high1 Ų170 Ų701%0.00531%0.31CS..Hα-helixtrans-64.6-36.7175.1-71167.7000111.8D31 L56 L59 V113 K114 K120 Y121D31-L117 HydrophobicContact CB-CD2 3.82Å; L56-L117 HydrophobicContact CD2-CD1 4.5Å; L56-L117 HydrophobicContact CD2-CD2 3.87Å; L56-L117 HydrophobicContact CG-CD2 4.49Å; L59-L117 HydrophobicContact CD1-CB 4.36Å; L59-L117 HydrophobicContact CD2-CB 3.97Å; V113-L117 HydrophobicContact CG1-CD1 3.84Å; V113-L117 HydrophobicContact CG1-CG 4.38Å; V113-L117 WeakPolarHBondContact O-CB 3.45Å; V113-L117 WeakPolarHBondContact O-CD1 3.29Å; V113-L117 WeakPolarHBondContact O-CG 3.23Å; V113-L117 PolarHBondContact O-N 2.98Å; K114-L117 WeakPolarHBondContact O-CB 3.47Å; K114-L117 PolarHBondContact O-N 2.58Å; K114-L117 VanDerWaalsContact O-N 3.1Å; L117-K120 PolarHBondContact O-N 2.64Å; L117-Y121 HydrophobicContact CB-CD2 4.42Å; L117-Y121 HydrophobicContact CD2-CD2 4.01Å; L117-Y121 HydrophobicContact CD2-CE2 3.57Å; L117-Y121 WeakPolarHBondContact O-CB 3.49Å; L117-Y121 WeakPolarHBondContact O-CD2 3.49Å; L117-Y121 PolarHBondContact O-N 2.79Å
118Q94Very high91Very high52 Ų5267.9 Ų67.924%0.24330%0.301CS..Iπ-helixtrans-66.2-42.6172.4-64.6-173-84.100111.1L59 K114 E115 F116 K120 E122 K123L59-Q118 HydrophobicContact CD2-CB 4.5Å; L59-Q118 HydrophobicContact CD2-CG 3.58Å; K114-Q118 HydrophobicContact CG-CG 4.47Å; K114-Q118 WeakPolarHBondContact O-CG 3.3Å; K114-Q118 PolarHBondContact O-N 2.89Å; E115-Q118 WeakPolarHBondContact O-CB 3.41Å; E115-Q118 PolarHBondContact O-N 3.45Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-Q118 PolarHBondContact O-N 2.98Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-K120 PolarHBondContact O-N 2.89Å; Q118-E122 HydrophobicContact CB-CG 4.47Å; Q118-E122 VanDerWaalsContact CG-OE2 3.29Å; Q118-E122 WeakPolarHBondContact CG-OE2 3.38Å; Q118-E122 PolarHBondContact NE2-OE2 3.13Å; Q118-E122 CarbonylContact O-C 3.58Å; Q118-E122 WeakPolarHBondContact O-CA 3.35Å; Q118-E122 WeakPolarHBondContact O-CB 3.45Å; Q118-E122 PolarHBondContact O-N 3.47Å; Q118-K123 PolarHBondContact O-N 2.67Å
119E93.1Very high91.7Very high38 Ų3859.7 Ų59.718%0.17828%0.277CS..Iπ-helixtrans-58.8-44.4173.8-60.5-110.1121.400111.9E115 F116 K123 K124 R125 W126E115-E119 WeakPolarHBondContact O-CG 3.41Å; E115-E119 PolarHBondContact O-N 2.91Å; F116-E119 WeakPolarHBondContact O-CB 3.34Å; F116-E119 PolarHBondContact O-N 3.1Å; E119-K123 HydrophobicContact CG-CD 4.34Å; E119-K123 WeakPolarHBondContact OE1-CD 3.46Å; E119-K123 WeakPolarHBondContact OE1-CE 3.45Å; E119-K123 IonicContact OE1-NZ 3.67Å; E119-K123 PolarHBondContact OE1-NZ 3.5Å; E119-K124 PolarHBondContact O-N 3.19Å; E119-K124 VanDerWaalsContact O-N 3.14Å; E119-R125 HydrophobicContact CB-CB 4.46Å; E119-R125 WeakPolarHBondContact O-CB 3.5Å; E119-R125 PolarHBondContact O-N 2.98Å; E119-R125 WeakPolarHBondContact OE2-CD 3.37Å; E119-R125 IonicContact OE2-CZ 2.73Å; E119-R125 IonicContact OE2-NE 3.86Å; E119-R125 IonicContact OE2-NH1 3.45Å; E119-R125 PolarHBondContact OE2-NH1 2.87Å; E119-W126 HydrophobicContact CB-CH2 3.98Å; E119-W126 HydrophobicContact CB-CZ3 3.78Å
120K93.4Very high91.8Very high1 Ų160.3 Ų60.30%0.00428%0.283CS..Iπ-helixtrans-69.7-47.3-177.7-173.5175.5179-177.90113F30 D31 W93 L94 F116 L117 Q118 W126F30-K120 VanDerWaalsContact CE1-CE 3.46Å; F30-K120 PolarHBondContact O-NZ 2.91Å; D31-K120 IonicContact OD1-NZ 3.34Å; D31-K120 PolarHBondContact OD1-NZ 2.78Å; W93-K120 HydrophobicContact CB-CG 4.4Å; L94-K120 HydrophobicContact CD2-CD 4.24Å; L94-K120 HydrophobicContact CD2-CG 4.5Å; F116-K120 HydrophobicContact CE1-CD 4.18Å; F116-K120 HydrophobicContact CZ-CD 4.34Å; F116-K120 VanDerWaalsContact O-CB 3.3Å; F116-K120 WeakPolarHBondContact O-CB 3.3Å; F116-K120 PolarHBondContact O-N 2.86Å; L117-K120 PolarHBondContact O-N 2.64Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-K120 PolarHBondContact O-N 2.89Å; K120-W126 HydrophobicContact CB-CE3 4.45Å; K120-W126 HydrophobicContact CB-CZ3 4.33Å
121Y95.1Very high92Very high9 Ų962.1 Ų62.14%0.03528%0.284CS..Iπ-helixtrans-106.6-39.3-169.5-62.4-67.1000114.8F30 D31 V44 L56 L59 H63 W93 L117 K124F30-Y121 WeakPolarHBondContact CD1-OH 3.29Å; F30-Y121 VanDerWaalsContact CE1-OH 3.23Å; F30-Y121 WeakPolarHBondContact CE1-OH 3.21Å; D31-Y121 WeakPolarHBondContact OD1-CE2 3.27Å; D31-Y121 PolarHBondContact OD1-OH 3.31Å; V44-Y121 HydrophobicContact CG1-CE1 4.42Å; V44-Y121 HydrophobicContact CG2-CD1 4.3Å; V44-Y121 HydrophobicContact CG2-CE1 3.91Å; L56-Y121 HydrophobicContact CD2-CD2 4.04Å; L56-Y121 HydrophobicContact CD2-CE2 3.73Å; L59-Y121 HydrophobicContact CD1-CD2 4.01Å; L59-Y121 HydrophobicContact CD1-CG 4.46Å; H63-Y121 AromaticContact CE1-CD1 3.59Å; H63-Y121 AromaticContact CE1-CG 3.56Å; W93-Y121 HydrophobicContact CB-CE1 4.47Å; W93-Y121 AromaticContact CD2-CD1 3.75Å; W93-Y121 HydrophobicContact CD2-CD1 3.75Å; W93-Y121 AromaticContact CD2-CE1 3.74Å; W93-Y121 HydrophobicContact CD2-CE1 3.74Å; W93-Y121 AromaticContact CE3-CD1 3.47Å; W93-Y121 HydrophobicContact CE3-CD1 3.47Å; W93-Y121 VanDerWaalsContact CE3-CD1 3.47Å; W93-Y121 AromaticContact CE3-CE1 3.94Å; W93-Y121 HydrophobicContact CE3-CE1 3.94Å; W93-Y121 HydrophobicContact CE3-CG 4.48Å; W93-Y121 HydrophobicContact CG-CD1 4.43Å; W93-Y121 AromaticContact CG-CE1 3.97Å; W93-Y121 HydrophobicContact CG-CE1 3.97Å; W93-Y121 HydrophobicContact CH2-CD1 4.07Å; W93-Y121 HydrophobicContact CZ2-CD1 4.32Å; W93-Y121 AromaticContact CZ3-CD1 3.66Å; W93-Y121 HydrophobicContact CZ3-CD1 3.66Å; W93-Y121 HydrophobicContact CZ3-CE1 4.48Å; L117-Y121 HydrophobicContact CB-CD2 4.42Å; L117-Y121 HydrophobicContact CD2-CD2 4.01Å; L117-Y121 HydrophobicContact CD2-CE2 3.57Å; L117-Y121 WeakPolarHBondContact O-CB 3.49Å; L117-Y121 WeakPolarHBondContact O-CD2 3.49Å; L117-Y121 PolarHBondContact O-N 2.79Å; Y121-K124 WeakPolarHBondContact O-CG 3.17Å
122E93.8Very high91.9Very high67 Ų6762.8 Ų62.831%0.31329%0.287SS..Iπ-helixtrans-84.8-55.7-179-59.6177.4178.200110.9L59 N60 Q118 K124L59-E122 VanDerWaalsContact CA-OE1 3.3Å; L59-E122 WeakPolarHBondContact CA-OE1 3.27Å; L59-E122 WeakPolarHBondContact CB-OE1 3.33Å; N60-E122 PolarHBondContact N-OE1 3.49Å; Q118-E122 HydrophobicContact CB-CG 4.47Å; Q118-E122 VanDerWaalsContact CG-OE2 3.29Å; Q118-E122 WeakPolarHBondContact CG-OE2 3.38Å; Q118-E122 PolarHBondContact NE2-OE2 3.13Å; Q118-E122 CarbonylContact O-C 3.58Å; Q118-E122 WeakPolarHBondContact O-CA 3.35Å; Q118-E122 WeakPolarHBondContact O-CB 3.45Å; Q118-E122 PolarHBondContact O-N 3.47Å; E122-K124 VanDerWaalsContact C-N 3.28Å; E122-K124 PolarHBondContact O-N 3.47Å
123K93.7Very high91.6Very high139 Ų13958.5 Ų58.560%0.60427%0.269SS*.SBendtrans-75.6-15.9176.9-49.1-175.7-166.6177.30113Q118 E119 R125Q118-K123 PolarHBondContact O-N 2.67Å; E119-K123 HydrophobicContact CG-CD 4.34Å; E119-K123 WeakPolarHBondContact OE1-CD 3.46Å; E119-K123 WeakPolarHBondContact OE1-CE 3.45Å; E119-K123 IonicContact OE1-NZ 3.67Å; E119-K123 PolarHBondContact OE1-NZ 3.5Å; K123-R125 PolarHBondContact O-N 2.9Å
124K93.4Very high91Very high107 Ų10763.9 Ų63.947%0.46529%0.292SS..  trans54.833.8179.2-65.1-173.3-179.3177.90114W93 E119 Y121 E122 W126 Y127W93-K124 HydrophobicContact CZ3-CG 4.27Å; E119-K124 PolarHBondContact O-N 3.19Å; E119-K124 VanDerWaalsContact O-N 3.14Å; Y121-K124 WeakPolarHBondContact O-CG 3.17Å; E122-K124 VanDerWaalsContact C-N 3.28Å; E122-K124 PolarHBondContact O-N 3.47Å; K124-W126 PolarHBondContact O-N 3.08Å; K124-Y127 HydrophobicContact CB-CG 4.3Å; K124-Y127 HydrophobicContact CD-CD1 4.33Å; K124-Y127 HydrophobicContact CD-CG 4.33Å; K124-Y127 VanDerWaalsContact O-CB 3.28Å; K124-Y127 WeakPolarHBondContact O-CB 3.33Å; K124-Y127 PolarHBondContact O-N 3.5Å
125R91.8Very high90.5Very high155 Ų15564.6 Ų64.659%0.58530%0.302SS*.THydrogen-bonded Turntrans-54.7-31.1-168.2-178172.9176.3167.22.7114.8E119 K123E119-R125 HydrophobicContact CB-CB 4.46Å; E119-R125 WeakPolarHBondContact O-CB 3.5Å; E119-R125 PolarHBondContact O-N 2.98Å; E119-R125 WeakPolarHBondContact OE2-CD 3.37Å; E119-R125 IonicContact OE2-CZ 2.73Å; E119-R125 IonicContact OE2-NE 3.86Å; E119-R125 IonicContact OE2-NH1 3.45Å; E119-R125 PolarHBondContact OE2-NH1 2.87Å; K123-R125 PolarHBondContact O-N 2.9Å
126W93Very high89.6Confident24 Ų2463.6 Ų63.69%0.09130%0.302CS..THydrogen-bonded Turntrans-122.619.9-179.8-51-82.3000113.2W93 G95 L96 F97 F116 E119 K120 K124W93-W126 CarbonylContact C-O 3.54Å; G95-W126 PolarHBondContact N-O 2.98Å; L96-W126 HydrophobicContact CB-CB 4.39Å; L96-W126 PolarHBondContact N-O 3.31Å; F97-W126 HydrophobicContact CB-CB 4.08Å; F97-W126 HydrophobicContact CB-CG 3.98Å; F97-W126 AromaticContact CD2-CD2 3.67Å; F97-W126 HydrophobicContact CD2-CD2 3.67Å; F97-W126 AromaticContact CD2-CE2 3.59Å; F97-W126 HydrophobicContact CD2-CE3 4.15Å; F97-W126 AromaticContact CD2-CG 3.94Å; F97-W126 HydrophobicContact CD2-CG 3.94Å; F97-W126 HydrophobicContact CD2-CH2 4.47Å; F97-W126 HydrophobicContact CD2-CZ2 4.01Å; F97-W126 AromaticContact CD2-NE1 3.77Å; F97-W126 HydrophobicContact CE2-CD2 4.44Å; F97-W126 HydrophobicContact CE2-CH2 4.32Å; F97-W126 HydrophobicContact CE2-CZ2 4.04Å; F97-W126 HydrophobicContact CG-CG 4.48Å; F116-W126 AromaticContact CD2-CH2 3.92Å; F116-W126 HydrophobicContact CD2-CH2 3.92Å; F116-W126 HydrophobicContact CD2-CZ3 4.01Å; F116-W126 AromaticContact CE2-CH2 3.76Å; F116-W126 HydrophobicContact CE2-CH2 3.76Å; F116-W126 AromaticContact CE2-CZ3 3.68Å; F116-W126 HydrophobicContact CE2-CZ3 3.68Å; E119-W126 HydrophobicContact CB-CH2 3.98Å; E119-W126 HydrophobicContact CB-CZ3 3.78Å; K120-W126 HydrophobicContact CB-CE3 4.45Å; K120-W126 HydrophobicContact CB-CZ3 4.33Å; K124-W126 PolarHBondContact O-N 3.08Å
127Y94.2Very high88.5Confident69 Ų6963.9 Ų63.927%0.27131%0.309SS..  trans-78.5128.1-175.3179.2-98.1000112.3I92 W93 K124 P129 P130I92-Y127 HydrophobicContact CG2-CD2 3.9Å; I92-Y127 HydrophobicContact CG2-CE2 3.47Å; I92-Y127 VanDerWaalsContact CG2-CE2 3.47Å; I92-Y127 CarbonylContact O-C 3.54Å; I92-Y127 WeakPolarHBondContact O-CA 3.44Å; W93-Y127 AromaticContact CD2-CD2 3.89Å; W93-Y127 HydrophobicContact CD2-CD2 3.89Å; W93-Y127 HydrophobicContact CD2-CE2 4.28Å; W93-Y127 AromaticContact CE3-CD2 3.56Å; W93-Y127 HydrophobicContact CE3-CD2 3.56Å; W93-Y127 HydrophobicContact CE3-CE2 4.22Å; W93-Y127 HydrophobicContact CH2-CD2 4.05Å; W93-Y127 AromaticContact CH2-CE2 3.97Å; W93-Y127 HydrophobicContact CH2-CE2 3.97Å; W93-Y127 HydrophobicContact CZ2-CD2 4.33Å; W93-Y127 HydrophobicContact CZ2-CE2 4.01Å; W93-Y127 AromaticContact CZ3-CD2 3.64Å; W93-Y127 HydrophobicContact CZ3-CD2 3.64Å; W93-Y127 HydrophobicContact CZ3-CE2 4.06Å; K124-Y127 HydrophobicContact CB-CG 4.3Å; K124-Y127 HydrophobicContact CD-CD1 4.33Å; K124-Y127 HydrophobicContact CD-CG 4.33Å; K124-Y127 VanDerWaalsContact O-CB 3.28Å; K124-Y127 WeakPolarHBondContact O-CB 3.33Å; K124-Y127 PolarHBondContact O-N 3.5Å; Y127-P129 HydrophobicContact CE1-CG 4.28Å; Y127-P130 WeakPolarHBondContact OH-CD 3.4Å
128V93.6Very high87.4Confident9 Ų967.2 Ų67.26%0.05533%0.332CS..  trans-111.9129.3169.3-178.70000108I92 L96 Q132 A133I92-V128 PolarHBondContact O-N 3.43Å; L96-V128 HydrophobicContact CD2-CG2 4.15Å; L96-V128 HydrophobicContact CG-CG2 3.81Å; V128-Q132 HydrophobicContact CG1-CB 3.75Å; V128-A133 HydrophobicContact CB-CB 4.45Å; V128-A133 HydrophobicContact CG1-CB 4.12Å
129P92.1Very high86.2Confident51 Ų5168.3 Ų68.333%0.33134%0.342SS..  trans-54.2140175.2-26.134.6000111.7Y127 E131 Q132 A133Y127-P129 HydrophobicContact CE1-CG 4.28Å; P129-E131 PolarHBondContact O-N 3.44Å; P129-Q132 PolarHBondContact O-N 2.91Å; P129-A133 PolarHBondContact O-N 3.26Å
130P88.8Confident84.8Confident59 Ų5971.9 Ų71.938%0.38336%0.359SS..Hα-helixtrans-58.6-26.4-172.221.1-33.4000114.3I92 Y127 K134I92-P130 HydrophobicContact CD1-CB 3.88Å; I92-P130 HydrophobicContact CG1-CB 4.21Å; Y127-P130 WeakPolarHBondContact OH-CD 3.4Å; P130-K134 WeakPolarHBondContact O-CG 3.44Å; P130-K134 PolarHBondContact O-N 3.49Å
131E89.5Confident83.3Confident131 Ų13174.7 Ų74.761%0.61238%0.382SS*.Hα-helixtrans-72.9-31.9176.3-141.456-146.500112.9P129 K134P129-E131 PolarHBondContact O-N 3.44Å; E131-K134 IonicContact OE1-NZ 3.01Å; E131-K134 PolarHBondContact OE1-NZ 2.88Å; E131-K134 IonicContact OE2-NZ 3.48Å; E131-K134 PolarHBondContact OE2-NZ 3.24Å
132Q83.9Confident81.7Confident117 Ų11777.9 Ų77.955%0.54741%0.406SS..Hα-helixtrans-82.2-36.9174.2-64.1176.45.300111.3V128 P129 K134 V135 V136V128-Q132 HydrophobicContact CG1-CB 3.75Å; P129-Q132 PolarHBondContact O-N 2.91Å; Q132-K134 VanDerWaalsContact C-N 3.25Å; Q132-K134 PolarHBondContact O-N 2.89Å; Q132-V135 WeakPolarHBondContact O-CB 3.2Å; Q132-V135 PolarHBondContact O-N 2.92Å; Q132-V136 PolarHBondContact O-N 3.24Å
133A84.1Confident80.1Confident5 Ų580 Ų804%0.04142%0.418CS..Hα-helixtrans-57.5-35.8-179.900000112.9Q91 I92 V128 P129 V135 A137Q91-A133 HydrophobicContact CB-CB 4.15Å; I92-A133 HydrophobicContact CG1-CB 3.93Å; V128-A133 HydrophobicContact CB-CB 4.45Å; V128-A133 HydrophobicContact CG1-CB 4.12Å; P129-A133 PolarHBondContact O-N 3.26Å; A133-V135 VanDerWaalsContact C-N 3.34Å; A133-V135 PolarHBondContact O-N 3.27Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.23Å; A133-A137 PolarHBondContact O-N 3.26Å
134K77.9Confident78.4Confident120 Ų12076.6 Ų76.652%0.52241%0.412SS..Hα-helixtrans-58.9-41.6172.2-67.1160.2-178.4168.40112.7P130 E131 Q132 S138P130-K134 WeakPolarHBondContact O-CG 3.44Å; P130-K134 PolarHBondContact O-N 3.49Å; E131-K134 IonicContact OE1-NZ 3.01Å; E131-K134 PolarHBondContact OE1-NZ 2.88Å; E131-K134 IonicContact OE2-NZ 3.48Å; E131-K134 PolarHBondContact OE2-NZ 3.24Å; Q132-K134 VanDerWaalsContact C-N 3.25Å; Q132-K134 PolarHBondContact O-N 2.89Å; K134-S138 PolarHBondContact O-N 2.86Å; K134-S138 VanDerWaalsContact O-N 3.13Å; K134-S138 PolarHBondContact O-OG 3.28Å
135V78.3Confident76.2Confident89 Ų8973.9 Ų73.954%0.53941%0.414SS..Hα-helixtrans-76.4-40.5-177.6-174.90000110.8Q132 A133 A137 S138 V139Q132-V135 WeakPolarHBondContact O-CB 3.2Å; Q132-V135 PolarHBondContact O-N 2.92Å; A133-V135 VanDerWaalsContact C-N 3.34Å; A133-V135 PolarHBondContact O-N 3.27Å; V135-A137 VanDerWaalsContact C-N 3.31Å; V135-A137 PolarHBondContact O-N 3.31Å; V135-S138 PolarHBondContact O-N 3.36Å; V135-S138 PolarHBondContact O-OG 2.69Å; V135-S138 VanDerWaalsContact O-OG 3.04Å; V135-V139 WeakPolarHBondContact O-CG2 3.25Å; V135-V139 PolarHBondContact O-N 2.84Å
136V71.6Confident74.1Confident70 Ų7070.8 Ų70.842%0.42442%0.417SS..Hα-helixtrans-62.3-41.3173.4177.90000110.5Q132 V139 H140Q132-V136 PolarHBondContact O-N 3.24Å; V136-V139 PolarHBondContact O-N 2.79Å; V136-H140 WeakPolarHBondContact O-CB 3.42Å; V136-H140 PolarHBondContact O-N 2.8Å
137A70.4Confident72Confident29 Ų2975.1 Ų75.124%0.2445%0.451CS..Hα-helixtrans-63.9-41.5176.800000113.1Q91 A133 V135 H140 A141Q91-A137 HydrophobicContact CG-CB 4.05Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.23Å; A133-A137 PolarHBondContact O-N 3.26Å; V135-A137 VanDerWaalsContact C-N 3.31Å; V135-A137 PolarHBondContact O-N 3.31Å; A137-H140 PolarHBondContact O-N 3.34Å; A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.45Å; A137-A141 PolarHBondContact O-N 3Å
138S68.9Low70Confident71 Ų7175.9 Ų75.950%0.49747%0.471SS..Hα-helixtrans-70-37.417863.50000112.8K134 V135 A141 S142K134-S138 PolarHBondContact O-N 2.86Å; K134-S138 VanDerWaalsContact O-N 3.13Å; K134-S138 PolarHBondContact O-OG 3.28Å; V135-S138 PolarHBondContact O-N 3.36Å; V135-S138 PolarHBondContact O-OG 2.69Å; V135-S138 VanDerWaalsContact O-OG 3.04Å; S138-A141 PolarHBondContact O-N 3Å; S138-S142 PolarHBondContact O-N 3.28Å; S138-S142 PolarHBondContact O-OG 3.01Å
139V69.7Low67.6Low74 Ų7480.5 Ų80.545%0.44850%0.504SS..Hα-helixtrans-66.9-42.6173.1172.30000111.4V135 V136 A141 S142 I143V135-V139 WeakPolarHBondContact O-CG2 3.25Å; V135-V139 PolarHBondContact O-N 2.84Å; V136-V139 PolarHBondContact O-N 2.79Å; V139-A141 VanDerWaalsContact C-N 3.28Å; V139-A141 PolarHBondContact O-N 3.28Å; V139-S142 PolarHBondContact O-N 2.93Å; V139-S142 PolarHBondContact O-OG 2.68Å; V139-I143 HydrophobicContact CG1-CD1 3.8Å; V139-I143 VanDerWaalsContact O-CG1 3.29Å; V139-I143 WeakPolarHBondContact O-CG1 3.43Å; V139-I143 PolarHBondContact O-N 2.66Å
140H62.9Low65.3Low114 Ų11483.7 Ų83.753%0.52853%0.527SS..Hα-helixtrans-66.4-32.5175.8-166.3-80.2000112V136 A137 S144V136-H140 WeakPolarHBondContact O-CB 3.42Å; V136-H140 PolarHBondContact O-N 2.8Å; A137-H140 PolarHBondContact O-N 3.34Å; H140-S144 PolarHBondContact CE1-OG 3.44Å; H140-S144 PolarHBondContact ND1-OG 2.94Å; H140-S144 WeakPolarHBondContact O-CB 3.44Å; H140-S144 PolarHBondContact O-N 3.1Å; H140-S144 PolarHBondContact O-OG 3.39Å
141A62.6Low63.5Low60 Ų6086.4 Ų86.450%0.49654%0.543SS..Hα-helixtrans-67.9-42.3174.600000112.7A137 S138 V139 S144 G145A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.45Å; A137-A141 PolarHBondContact O-N 3Å; S138-A141 PolarHBondContact O-N 3Å; V139-A141 VanDerWaalsContact C-N 3.28Å; V139-A141 PolarHBondContact O-N 3.28Å; A141-S144 PolarHBondContact O-N 2.98Å; A141-G145 PolarHBondContact O-N 2.89Å
142S62.5Low61.6Low75 Ų7585.4 Ų85.452%0.52455%0.55SS.*Hα-helixtrans-69.4-37.2176.457.40000112.6S138 V139 S146S138-S142 PolarHBondContact O-N 3.28Å; S138-S142 PolarHBondContact O-OG 3.01Å; V139-S142 PolarHBondContact O-N 2.93Å; V139-S142 PolarHBondContact O-OG 2.68Å; S142-S146 PolarHBondContact O-N 2.94Å; S142-S146 PolarHBondContact O-OG 3.2Å
143I59.9Low59.6Low111 Ų11185.3 Ų85.357%0.56956%0.562SS**Hα-helixtrans-64.2-48.3172-65.8167.7000110.7V139 G145 S146V139-I143 HydrophobicContact CG1-CD1 3.8Å; V139-I143 VanDerWaalsContact O-CG1 3.29Å; V139-I143 WeakPolarHBondContact O-CG1 3.43Å; V139-I143 PolarHBondContact O-N 2.66Å; I143-G145 VanDerWaalsContact C-N 3.34Å; I143-G145 PolarHBondContact O-N 3.11Å; I143-S146 WeakPolarHBondContact O-CB 3.4Å; I143-S146 PolarHBondContact O-N 3.2Å
144S57.2Low57.6Low68 Ų6891.3 Ų91.348%0.47660%0.599SS.*Hα-helixtrans-70.1-28.5-178.5-56.90000113.5H140 A141 S146H140-S144 PolarHBondContact CE1-OG 3.44Å; H140-S144 PolarHBondContact ND1-OG 2.94Å; H140-S144 WeakPolarHBondContact O-CB 3.44Å; H140-S144 PolarHBondContact O-N 3.1Å; H140-S144 PolarHBondContact O-OG 3.39Å; A141-S144 PolarHBondContact O-N 2.98Å; S144-S146 VanDerWaalsContact C-N 3.3Å; S144-S146 PolarHBondContact O-N 2.94Å
145G48.1Very low56Low51 Ų5191 Ų9153%0.52661%0.609SS.*Hα-helixtrans-77.2-1117800000114.5A141 I143 S147A141-G145 PolarHBondContact O-N 2.89Å; I143-G145 VanDerWaalsContact C-N 3.34Å; I143-G145 PolarHBondContact O-N 3.11Å; G145-S147 PolarHBondContact O-N 2.96Å
146S46.1Very low54.2Low90 Ų9094 Ų9463%0.62962%0.617SS**THydrogen-bonded Turntrans-69.3-3.3-174-68.70000114.9S142 I143 S144S142-S146 PolarHBondContact O-N 2.94Å; S142-S146 PolarHBondContact O-OG 3.2Å; I143-S146 WeakPolarHBondContact O-CB 3.4Å; I143-S146 PolarHBondContact O-N 3.2Å; S144-S146 VanDerWaalsContact C-N 3.3Å; S144-S146 PolarHBondContact O-N 2.94Å
147S50.5Low52.9Low115 Ų11596.9 Ų96.980%0.80463%0.634SS**THydrogen-bonded Turntrans-93.62.6-177.8-56.60000115.3G145G145-S147 PolarHBondContact O-N 2.96Å
148A51.2Low52.3Low84 Ų84102.4 Ų102.469%0.69465%0.653SS**SBendtrans-146.537.7-168.900000116.5
149S44.4Very low51.5Low107 Ų107103.3 Ų103.375%0.74866%0.658SS**  trans-165.482.2159.2-83.40000112.1
150S43.5Very low50.6Low117 Ų117107 Ų10782%0.81867%0.674SS**  trans-109.947.6177-58.70000112.5
151T51.1Low50Low117 Ų117110.4 Ų110.472%0.71869%0.687SS**SBendtrans-140.1120.1173.3510000109.2
152S48.6Very low49.7Very low110 Ų110112.5 Ų112.577%0.76970%0.698SS**SBendtrans63.2132.6-155.9770000112.4
153S41.3Very low49.2Very low114 Ų114116.2 Ų116.280%0.79771%0.711SS**  cis-134.51137.4-65.90000111.6
154T42.1Very low48.7Very low132 Ų132118.2 Ų118.281%0.8172%0.722SS**  trans-86.9130.7161.249.40000109.4
155P45.8Very low47.9Very low112 Ų112118.4 Ų118.473%0.72774%0.735SS**  trans-62.5141.9165.927.8-33.3000109.9V157P155-V157 PolarHBondContact O-N 3.46Å
156E40.6Very low48.1Very low152 Ų152125.4 Ų125.471%0.7175%0.754SS**  trans-62.9104.5-175.3-176.8-171102.200111.8K158E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 HydrophobicContact CG-CG 4.27Å; E156-K158 PolarHBondContact O-N 2.95Å; E156-K158 WeakPolarHBondContact OE1-CE 3.12Å; E156-K158 WeakPolarHBondContact OE1-CG 3.43Å; E156-K158 IonicContact OE1-NZ 4Å
157V44.7Very low48.2Very low131 Ų131126.9 Ų126.979%0.79476%0.764SS**  trans-78.786.1172.1-167.10000108.8P155P155-V157 PolarHBondContact O-N 3.46Å
158K56.2Low47.7Very low145 Ų145125.8 Ų125.863%0.6376%0.763SS**  trans-51.3131.1175.6-73.4-179.1177.8177.60110.2E156 L160E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 HydrophobicContact CG-CG 4.27Å; E156-K158 PolarHBondContact O-N 2.95Å; E156-K158 WeakPolarHBondContact OE1-CE 3.12Å; E156-K158 WeakPolarHBondContact OE1-CG 3.43Å; E156-K158 IonicContact OE1-NZ 4Å; K158-L160 PolarHBondContact O-N 3.14Å
159P53.2Low47.4Very low91 Ų91128 Ų12859%0.59177%0.769SS**  trans-62.2139-17825.1-33.7000110.4K161P159-K161 HydrophobicContact CB-CG 4.49Å; P159-K161 PolarHBondContact O-N 3.07Å
160L49.7Very low47.2Very low150 Ų150127.5 Ų127.579%0.78577%0.772SS**THydrogen-bonded Turntrans-62.814.4-174.7-100.199.3000116.2K158K158-L160 PolarHBondContact O-N 3.14Å
161K51.6Low46.8Very low186 Ų186130.4 Ų130.481%0.80978%0.777SS**THydrogen-bonded Turntrans-85.7-7.9178.7-51.5179.2-174-179.20113.3P159P159-K161 HydrophobicContact CB-CG 4.49Å; P159-K161 PolarHBondContact O-N 3.07Å
162S55.1Low46.2Very low104 Ų104133.1 Ų133.173%0.72778%0.782SS**SBendtrans-109.510.8-172.8-169.80000114.4
163L51.8Low45.8Very low154 Ų154135.1 Ų135.181%0.80678%0.783SS**SBendtrans-120.41.9-178.6-76.2172.4000114.2
164L50.5Low45.4Very low153 Ų153137.5 Ų137.580%0.80179%0.787SS**SBendtrans-124.5116171.5-71.8169.8000107.7
165G41.1Very low45.4Very low72 Ų72140.6 Ų140.674%0.74279%0.789SS**  trans-72.8163.5-175.900000113.7S167G165-S167 VanDerWaalsContact C-N 3.3Å; G165-S167 PolarHBondContact O-N 3.3Å
166E50.4Low44.7Very low197 Ų197138.9 Ų138.992%0.92179%0.792SS**SBendtrans-67.269-172.2-160.1100141.900113.7
167S49.5Very low44.6Very low121 Ų121138.3 Ų138.385%0.84680%0.799SS**  trans-15872.9178.3-76.40000114.3G165G165-S167 VanDerWaalsContact C-N 3.3Å; G165-S167 PolarHBondContact O-N 3.3Å
168A39.4Very low44.5Very low93 Ų93137.9 Ų137.977%0.76980%0.799SS**  trans-147.8135.5161.400000110.4
169P44.4Very low43.2Very low129 Ų129135.8 Ų135.884%0.83880%0.802SS**  trans-77.7143.4-174.931.1-35.1000112.7
170A41.4Very low42.3Very low98 Ų98140.4 Ų140.481%0.8182%0.816SS**  trans-79.3133.917400000111.8
171L35.4Very low41.5Very low177 Ų177137.9 Ų137.993%0.92781%0.811SS**  trans-134.8163.9164.2-76.6-179.9000110.8
172H38.4Very low40.9Very low175 Ų175135.5 Ų135.581%0.8182%0.815SS**  trans-113160.8-141-163.9-94000114.5
173L38.6Very low39.9Very low152 Ų152136.7 Ų136.780%0.79682%0.817SS**  trans-58.6145.1176.6-82.366.8000112.7
174N33.4Very low39.1Very low164 Ų164136.4 Ų136.488%0.87782%0.821SS**  -152.7173.4121.5-148.2-4.5000113.5
175K42Very low38.4Very low197 Ų197132.1 Ų132.186%0.85781%0.814SS**  trans-115.2132.2-166.2174-175-178.6-179.10110.5
176G30.9Very low37.9Very low76 Ų76139.8 Ų139.878%0.78482%0.821SS**  trans-179.6132173.500000115.8
177T38.7Very low37.1Very low140 Ų140135.1 Ų135.186%0.85981%0.81SS**  trans-111148.5160.743.90000107.3
178P43.2Very low36.4Very low121 Ų121138.7 Ų138.779%0.78681%0.813SS**  -153.3167.180.341-21.8000117.8
179S29.2Very low36.1Very low101 Ų101137.5 Ų137.571%0.70681%0.81SS**  trans34.6123.7139.4-162.60000121.6
180Q33.1Very low35.6Very low188 Ų188140.5 Ų140.588%0.87981%0.813SS**  -166151.4104.6-106.7170.784.900113.7
181S32.4Very low35.1Very low98 Ų98144.3 Ų144.369%0.68581%0.814SS**  trans-119.3170.9171.2-48.90000109.6
182P40.7Very low35.1Very low136 Ų136144.1 Ų144.188%0.88381%0.808SS**  trans-120.2158.7134.235.2-31.4000112.7
183V32.4Very low34.9Very low128 Ų128143.5 Ų143.578%0.77681%0.806SS**  trans-123.9139.9-175.4166.80000109.9
184V35.8Very low34.9Very low148 Ų148144.6 Ų144.690%0.89780%0.804SS**  trans-136.3132.4154.3-174.50000108.6
185G35Very low35.2Very low63 Ų63146.2 Ų146.265%0.64980%0.803SS**  trans-81.2-169.1178.400000113.9
186R30.6Very low35.2Very low234 Ų234145.3 Ų145.388%0.88380%0.802SS**  cis-170.2127.836.7162177.1176.41741.5112.6
187S34.9Very low35.7Very low99 Ų99150.6 Ų150.669%0.69280%0.804SS**  trans50.8131.2156.3690000119.4
188Q35.4Very low36.3Very low195 Ų195149.9 Ų149.991%0.91180%0.795SS**  cis-146.8176.422-67-171.898.800110
189G31.7Very low36.7Very low68 Ų68150.6 Ų150.670%0.70179%0.791SS**  cis159.8-178.5-5.200000112.7
190Q33.7Very low37.9Very low193 Ų193153.3 Ų153.390%0.90280%0.797SS**  trans63.7157.9-178.7-76.6-173.4-22.300118.6
191Q32Very low38.9Very low178 Ų178149.9 Ų149.983%0.83279%0.794SS**  trans-87.5176.9-165.8-60.6130.9-36.800111.4
192Q34.7Very low39.5Very low172 Ų172152.1 Ų152.180%0.80480%0.798SS**  cis-158.8151.623.6-166.5166.7-1500113.9
193E35.3Very low40Very low163 Ų163154.5 Ų154.576%0.76280%0.802SS**  trans17.1138.7161-149.1169.1132.500123.8
194K38.1Very low41.1Very low175 Ų175152 Ų15276%0.76180%0.802SS**  trans-83.2148.8168-75-178.1173.1-175.70112.6
195K39.1Very low41.6Very low197 Ų197150.1 Ų150.186%0.85780%0.796SS**  trans-146.5130.6138.3-123.5163.3-174.1164.90111.6
196Q43.4Very low42.3Very low179 Ų179153.7 Ų153.784%0.83680%0.8SS**  trans-80.8143.5168.1-75.9169.9-110.300108.7
197F40.9Very low43.4Very low186 Ų186150 Ų15082%0.81680%0.796SS**  trans-108.2120.3179.8-151.4-89.5000107.8L199F197-L199 HydrophobicContact CD1-CD2 3.79Å; F197-L199 HydrophobicContact CD1-CG 4.08Å; F197-L199 HydrophobicContact CE1-CD2 3.67Å; F197-L199 HydrophobicContact CE1-CG 4.46Å
198D50.5Low44Very low125 Ų125154.9 Ų154.967%0.66881%0.805SS**  trans-108.1125179.3-162.7-18.4000108.9L200D198-L200 PolarHBondContact OD1-N 3.02Å
199L52.5Low44.5Very low136 Ų136150 Ų15071%0.71280%0.798SS**  trans-100.40-167.3-76.2168.5000113.5F197 S201F197-L199 HydrophobicContact CD1-CD2 3.79Å; F197-L199 HydrophobicContact CD1-CG 4.08Å; F197-L199 HydrophobicContact CE1-CD2 3.67Å; F197-L199 HydrophobicContact CE1-CG 4.46Å; L199-S201 VanDerWaalsContact C-N 3.28Å; L199-S201 PolarHBondContact O-N 2.98Å
200L53.3Low44.7Very low159 Ų159151.4 Ų151.483%0.83280%0.803SS**THydrogen-bonded Turntrans-83.410.5-170.6-8471.6000114.9D198D198-L200 PolarHBondContact OD1-N 3.02Å
201S54.1Low45.1Very low115 Ų115148.4 Ų148.480%0.80480%0.801SS**THydrogen-bonded Turntrans-110.6-3.7-173.6-560000116.6L199L199-S201 VanDerWaalsContact C-N 3.28Å; L199-S201 PolarHBondContact O-N 2.98Å
202D46.3Very low45.2Very low145 Ų145144.7 Ų144.778%0.77580%0.8SS**SBendtrans-104.8-18.5-169.1-161.247.3000114.8G204D202-G204 VanDerWaalsContact C-N 3.25Å; D202-G204 PolarHBondContact O-N 2.74Å
203L50.2Low45.7Very low187 Ų187142 Ų14298%0.97980%0.798SS**SBendtrans-88.946.1-173.8-148.376.2000113.5
204G56.2Low45.6Very low75 Ų75143 Ų14377%0.77380%0.802SS**  trans-13731.5-16500000116.4D202D202-G204 VanDerWaalsContact C-N 3.25Å; D202-G204 PolarHBondContact O-N 2.74Å
205S45.2Very low45.3Very low108 Ų108139.5 Ų139.576%0.75580%0.8SS**  trans-133.2147178.352.80000113.6
206D51Low44.9Very low138 Ų138136.8 Ų136.874%0.73880%0.8SS**  trans-79.5147.2-172-166.1-15.9000112.3F208D206-F208 PolarHBondContact OD1-N 3.4Å
207I52.3Low44.5Very low157 Ų157132.6 Ų132.681%0.80580%0.796SS**SBendtrans-102.2-10.2-176-72.6174.8000112.3A209I207-A209 VanDerWaalsContact C-N 3.34Å; I207-A209 PolarHBondContact O-N 3.43Å
208F48.3Very low44.1Very low201 Ų201129.3 Ų129.388%0.88279%0.791SS**  trans-8516-173.8-92.3-82.6000116.9D206D206-F208 PolarHBondContact OD1-N 3.4Å
209A45.8Very low43.4Very low93 Ų93128.1 Ų128.177%0.76980%0.799SS**PPolyproline II helixtrans-93125.217800000113.1I207I207-A209 VanDerWaalsContact C-N 3.34Å; I207-A209 PolarHBondContact O-N 3.43Å
210A36.8Very low42.9Very low97 Ų97128.3 Ų128.380%0.80280%0.801SS**PPolyproline II helixtrans-91.6148.8-179.300000113.4
211P41.7Very low42Very low131 Ų131130.6 Ų130.685%0.85180%0.804SS**PPolyproline II helixtrans-91.7148.1-173.335.1-35.7000115.1
212A33Very low41.4Very low99 Ų99129.5 Ų129.582%0.81880%0.802SS**  trans-146159.6166.900000110.4
213P46.1Very low40.8Very low116 Ų116128.6 Ų128.675%0.75380%0.798SS**  trans-122.3162.1-147.840.8-30.6000117
214Q32.8Very low40Very low183 Ų183129.3 Ų129.386%0.85579%0.793SS**  178.1116125.7-98.8173.11.500116.2
215S32Very low39.1Very low103 Ų103129.6 Ų129.672%0.7279%0.788SS**  37.5156.4127.6-51.90000126.4
216T30.2Very low38.5Very low140 Ų140132.1 Ų132.186%0.85979%0.787SS**  trans83142.316669.70000116.9
217A34.9Very low37.6Very low90 Ų90136 Ų13674%0.74480%0.798SS**  cis-169.5169.2-9.500000109.8
218T32.6Very low36.8Very low117 Ų117133 Ų13372%0.71878%0.784SS**  cis-172.7139.1-28.2-80.80000108
219A36.2Very low36.2Very low101 Ų101128.8 Ų128.884%0.83578%0.78SS**  trans-148.7146.1167.400000111.2
220N43Very low35.7Very low139 Ų139132.4 Ų132.474%0.74378%0.78SS**  trans-136.4151.9-166.9-77.8-53.1000113.8
221F33.1Very low35.6Very low207 Ų207132.8 Ų132.891%0.90878%0.783SS**  trans-179.9100.3136.7-95.8-69.6000106.6
222A41.5Very low35Very low93 Ų93130.8 Ų130.877%0.76979%0.787SS**  66.6138.189.700000114.1
223N34.4Very low34.8Very low126 Ų126130 Ų13067%0.67479%0.788SS**  cis-151.9153.9-2.9-161.18.2000106.8
224F32.5Very low34Very low202 Ų202130 Ų13089%0.88679%0.791SS**  -167.9146.387.4-94.4-79.8000109.8
225A37.7Very low33.9Very low81 Ų81126.5 Ų126.567%0.66979%0.793SS**  trans-126.4151.1-178.400000112.1
226H32.4Very low33.8Very low160 Ų160125.5 Ų125.574%0.74180%0.799SS**  -170.8129.1124.4-124.6-111.2000113.3
227F32.8Very low34.1Very low219 Ų219124.1 Ų124.196%0.96180%0.795SS**  trans-149.4135.7133.2-122.8-81.1000107.6
228N35.3Very low34.1Very low94 Ų94126 Ų12650%0.50380%0.797SS.*  trans-111.7136.4-167.4-176.915.9000111.1H230N228-H230 PolarHBondContact ND2-CD2 3.04Å; N228-H230 PolarHBondContact ND2-NE2 2.88Å
229S34.5Very low34.2Very low114 Ų114128.1 Ų128.180%0.79780%0.804SS**  trans-125.2102.4173.7590000109.8
230H35.2Very low34.3Very low169 Ų169126.8 Ų126.878%0.78279%0.793SS**  trans-84.7141.1175-83.8-65.2000112.3N228N228-H230 PolarHBondContact ND2-CD2 3.04Å; N228-H230 PolarHBondContact ND2-NE2 2.88Å
231A36.1Very low33.9Very low104 Ų104126.3 Ų126.386%0.8679%0.79SS**  trans-138.3148.6164.400000109.3
232G29Very low33.9Very low90 Ų90125.3 Ų125.393%0.92879%0.786SS**  trans116.7127.3177.200000113.5
233G28.7Very low34Very low81 Ų81125 Ų12584%0.83578%0.783SS**  trans167.965.9-175.800000115
234S29Very low34.1Very low117 Ų117126 Ų12682%0.81878%0.784SS**  trans-31.7150.2179-50.10000121.3
235A30.5Very low34.3Very low110 Ų110125.7 Ų125.791%0.90978%0.782SS**  trans72.8141.1143.800000121
236G30.4Very low34.7Very low81 Ų81126.8 Ų126.884%0.83578%0.777SS**  trans158.6143.9173.700000111.6
237S35.9Very low34.8Very low112 Ų112126.3 Ų126.378%0.78378%0.78SS**  trans-141.9165.3-179.7-168.70000111.8
238V35.5Very low35.3Very low128 Ų128123.5 Ų123.578%0.77677%0.768SS**  trans68.9122.1172-52.30000120.7
239N33.8Very low35.9Very low162 Ų162124.5 Ų124.587%0.86678%0.779SS**  trans65.4149.9145.5-108-5.5000120.2
240A38.6Very low35.9Very low74 Ų74128.1 Ų128.161%0.61278%0.781SS**  cis-159.6156.30.200000114.7
241N36Very low35.8Very low128 Ų128125 Ų12568%0.68478%0.778SS**  trans85.6156.3134.4-138.9-4.9000123.5
242F32.5Very low35.8Very low187 Ų187126 Ų12682%0.8278%0.778SS**  trans74.6157.1169.5-65.4-67000120.1
243A42.4Very low36.1Very low86 Ų86126.9 Ų126.971%0.71177%0.77SS**  trans-148.8159.9-142.100000115.6
244H36.9Very low36.5Very low147 Ų147128 Ų12868%0.68177%0.772SS**  trans41.8112.2141.2-168.4-67.4000119.6D246H244-D246 IonicContact CE1-OD2 3.9Å; H244-D246 IonicContact NE2-OD2 3.85Å
245F36.6Very low37Very low195 Ų195129.1 Ų129.186%0.85577%0.768SS**  trans-141.293155.2-104.8-78.1000112.6
246D45.6Very low37.1Very low105 Ų105134 Ų13456%0.56177%0.77SS**  trans-71123.9147.7-91.3-81.7000109H244H244-D246 IonicContact CE1-OD2 3.9Å; H244-D246 IonicContact NE2-OD2 3.85Å
247N36.1Very low37.3Very low150 Ų150133.7 Ų133.780%0.80277%0.766SS**  trans-158.7152.9144.4-119.4-87000112.5
248F42.1Very low37.1Very low160 Ų160134.2 Ų134.270%0.70277%0.765SS**  trans-102.5172.7-171.6-96.7-99.4000109.9
249P47.5Very low37Very low114 Ų114137 Ų13774%0.7477%0.767SS**  cis-137.2159.633.139.8-20.7000118.9
250K36Very low36.8Very low191 Ų191134.4 Ų134.483%0.8376%0.761SS**  trans-97.4137.2150.5-70.9178.5177.9175.40108.2
251S32.6Very low36.3Very low103 Ų103137.2 Ų137.272%0.7277%0.771SS**  trans-105.7155.7169.7-61.40000111
252S36.6Very low36.2Very low124 Ų124136 Ų13687%0.86777%0.772SS**  trans68.268.9161.4-49.70000117.6
253S34.5Very low36.3Very low110 Ų110135.7 Ų135.777%0.76977%0.773SS**  trans-85.4143.9139.952.40000109.5
254A38.4Very low35.7Very low104 Ų104135.9 Ų135.986%0.8677%0.769SS**  trans-118.4118.1169.100000108.8
255D38.6Very low35.4Very low140 Ų140136.3 Ų136.375%0.74977%0.771SS**  trans-76.3155.5-176.2-74.2-81.3000113.7
256F32.9Very low35.2Very low214 Ų214135 Ų13594%0.93977%0.768SS**  trans-119.6110.4151.7-107.9-88.7000108.7
257G34.8Very low34.5Very low73 Ų73136.4 Ų136.475%0.75378%0.781SS**PPolyproline II helixtrans-71.5145.5-167.300000114.5
258T31.4Very low34.2Very low124 Ų124134.4 Ų134.476%0.76179%0.785SS**PPolyproline II helixtrans-89.9147.3160.6-63.60000109.5
259F33.3Very low33.7Very low187 Ų187132 Ų13282%0.8279%0.788SS**PPolyproline II helixtrans-65.2142.6-169.640-93.1000114
260S29.3Very low32.9Very low107 Ų107133 Ų13375%0.74879%0.792SS**PPolyproline II helixtrans-88.2144.9169.3-178.20000110.9
261T29Very low32.6Very low132 Ų132130.1 Ų130.181%0.8179%0.79SS**  trans-146.2105.9159.2-70.60000110.1
262S33.7Very low32.6Very low103 Ų103130.9 Ų130.972%0.7280%0.795SS**  trans-159.4153.3164.5-70.80000104.6
263Q34.6Very low32.4Very low180 Ų180134.6 Ų134.684%0.84180%0.796SS**  cis-160155.721.1-164177.282.600109.4
264S28.4Very low32.2Very low90 Ų90135.9 Ų135.963%0.62980%0.799SS**  trans-148.9157.9155.164.70000110.7
265H32.3Very low31.8Very low156 Ų156136.1 Ų136.172%0.72280%0.795SS**  trans68.895.3-176.8-45.3-72.5000114.1
266Q32.4Very low31.4Very low168 Ų168136 Ų13679%0.78580%0.799SS**  69103.774.7-67.5-173.310.900115.2
267T29.8Very low31.3Very low135 Ų135133.5 Ų133.583%0.82880%0.795SS**  trans39.2110136.256.50000120.6
268A30.3Very low31.1Very low108 Ų108139.5 Ų139.589%0.89380%0.801SS**  trans-153.8153.613600000110.1
269S31.1Very low31Very low110 Ų110138.3 Ų138.377%0.76980%0.803SS**  trans-129.9132.4178.5490000111.7
270T30.7Very low30.9Very low135 Ų135133 Ų13383%0.82880%0.802SS**  trans-179.6125.1155.820.50000106.4
271V31Very low31Very low130 Ų130136.1 Ų136.179%0.78881%0.809SS**  64.89077.7-178.80000113.6
272S32.1Very low31.1Very low118 Ų118137.9 Ų137.983%0.82581%0.808SS**  179.5143120.5-79.80000112.6
273K31.6Very low31.3Very low202 Ų202138.3 Ų138.388%0.87881%0.807SS**  trans-112.8132.1162.2-67.4176.5-179.1174.40108.3
274V29.8Very low31.4Very low138 Ų138133.8 Ų133.884%0.83680%0.8SS**  trans-137.7133.3150.5174.60000107.6
275S30.2Very low32.1Very low109 Ų109137.2 Ų137.276%0.76281%0.811SS**  trans-111.3133.5176.2-56.70000109.7
276T31.8Very low33.1Very low138 Ų138139 Ų13985%0.84782%0.817SS**  trans-146.8113.2161.1-0.20000110.6
277N30.6Very low33.9Very low160 Ų160142 Ų14286%0.85682%0.823SS**  trans-87.9147.7165.4-75.4-66.1000109.1
278K30.6Very low34.7Very low199 Ų199140.6 Ų140.687%0.86582%0.824SS**  167.1120.2103-176.1165.8-177.8178.80114.3
279A29Very low35.2Very low99 Ų99139.9 Ų139.982%0.81882%0.819SS**  trans52.3132.2148.400000122
280G30Very low35.7Very low76 Ų76143.3 Ų143.378%0.78483%0.828SS**  trans174.173.8166.600000115.6
281L31.3Very low36.2Very low173 Ų173141.9 Ų141.991%0.90683%0.83SS**  trans53.9120.5162.9-111.764.6000122.1
282Q33Very low36.8Very low168 Ų168142.9 Ų142.979%0.78583%0.831SS**  trans-10.8156.6130.9-66.2-152.143.300119
283T36.3Very low37.5Very low113 Ų113145 Ų14569%0.69383%0.832SS**  cis-169159.8-5.5-91.50000107.9
284A37.4Very low38Very low85 Ų85142.7 Ų142.770%0.70283%0.829SS**  trans71.9152.1-178.200000114.6
285D43.7Very low38.6Very low161 Ų161143.1 Ų143.186%0.86183%0.827SS**  cis-124.5156.80.9-97.2-57.5000112.1
286K53.4Low39.6Very low195 Ų195145.4 Ų145.485%0.84883%0.829SS**  trans-116.816.9-171.7-146-178-179.9-179.70116.1
287Y48.8Very low39.8Very low230 Ų230148.4 Ų148.490%0.90283%0.83SS**  trans-138.276.4180-85.1-83.3000112.6
288A46.8Very low40Very low105 Ų105146.5 Ų146.587%0.86883%0.829SS**  trans-134.247.1178.500000112.4
289A40.5Very low40.3Very low94 Ų94141.9 Ų141.978%0.77783%0.829SS**SBendtrans-150.423.3-171.800000116.8
290L41.6Very low40.4Very low182 Ų182141.1 Ų141.195%0.95383%0.83SS**  trans-146.573.7170.7-77.9-176.5000112
291A40.6Very low40.7Very low105 Ų105147.1 Ų147.187%0.86884%0.838SS**  trans-155.950.2174.400000113
292N44.6Very low40.6Very low151 Ų151142.7 Ų142.781%0.80783%0.834SS**  trans-151.7103.6169-161.4-27.6000111.6
293L46.6Very low40.5Very low163 Ų163138.6 Ų138.685%0.85384%0.837SS**  trans161.868.1151.8-91.9169.1000110.2
294D42.3Very low40.3Very low153 Ų153140.1 Ų140.182%0.81884%0.841SS**  trans-162.393.1149.1-150.5-79.3000110.3
295N41Very low40.2Very low147 Ų147144.8 Ų144.879%0.78685%0.848SS**  trans-176.563.7159-112.6-80.8000111.7
296I51.4Low39.5Very low157 Ų157140.6 Ų140.681%0.80584%0.843SS**  trans-126.976.8160.6-58.3-178.3000107.3
297F35.5Very low38.6Very low200 Ų200137.6 Ų137.688%0.87785%0.846SS**SBendtrans179.574.4151.5-97.5-59.7000111.4
298S35.4Very low37.8Very low120 Ų120130.2 Ų130.284%0.83984%0.84SS**  trans-162.2146.9153.3-85.50000109.7
299A37.1Very low37Very low103 Ų103135 Ų13585%0.85184%0.842SS**  trans-86.1140.7-168.700000112.9
300G31.7Very low36.6Very low82 Ų82133.3 Ų133.385%0.84583%0.833SS**  trans-81.8144.4159.900000110.8
301Q35Very low36.1Very low202 Ų202130.2 Ų130.294%0.94482%0.822SS**  trans-139.6131.6175.7-170.3178.325.100110.2
302G30.7Very low35.6Very low81 Ų81131.9 Ų131.984%0.83582%0.821SS**  trans111.7122.817700000113.7
303G30.4Very low35Very low81 Ų81128.6 Ų128.684%0.83582%0.823SS**  trans155.979.9-179.500000113.5
304D31.9Very low34.4Very low145 Ų145131 Ų13178%0.77583%0.826SS**  trans-64.9131.2-171.4-145.2-72.6000115.9
305Q34.7Very low33.8Very low184 Ų184127.9 Ų127.986%0.8682%0.822SS**  156.9144.4125-87.616894.800115.4
306G30.5Very low34.1Very low73 Ų73126.8 Ų126.875%0.75382%0.823SS**  trans107.6107.4132.300000120.7
307S33.7Very low33.2Very low132 Ų132126.1 Ų126.192%0.92383%0.826SS**  trans59.2122.3147.3-155.80000120.4
308G31.1Very low33Very low74 Ų74119.8 Ų119.876%0.76382%0.817SS**  trans-113.1-174.7-178.700000116
309F30.6Very low32.7Very low207 Ų207119.7 Ų119.791%0.90882%0.816SS**  trans-152.1171.7158.6-161.4-105.4000110
310G31.2Very low32.3Very low57 Ų57121.6 Ų121.659%0.58882%0.817SS**  trans-75.8-173.5-179.600000114.9
311T31.2Very low32.3Very low118 Ų118124.1 Ų124.172%0.72482%0.816SS**  cis-155.6159.121.554.80000114.1
312T31.1Very low32Very low140 Ų140119.5 Ų119.586%0.85981%0.806SS**  trans47.2116.3149.8550000121.6
313G32.8Very low32.1Very low81 Ų81121.5 Ų121.584%0.83580%0.801SS**  trans-176.6117.3160.900000114.3
314K33.4Very low32.4Very low214 Ų214123.4 Ų123.493%0.9380%0.799SS**  trans-58.4144.2-174.9-84.1179.4170.9178.30115.3
315A30.2Very low32.4Very low88 Ų88121.1 Ų121.173%0.72780%0.795SS**  trans-82.1173.8156.100000111.8
316P47.1Very low32.1Very low124 Ų124121.9 Ų121.981%0.80580%0.797SS**  -143166.493.538.1-22.8000116.8
317V31.4Very low32.3Very low143 Ų143123.6 Ų123.687%0.86780%0.798SS**  trans-21.7153.8176.2-71.70000121.6
318G31.2Very low32.1Very low67 Ų67123.3 Ų123.369%0.69180%0.796SS**  cis159.5-179.8-7.100000117.5
319S29.6Very low32.3Very low117 Ų117123.8 Ų123.882%0.81879%0.793SS**  trans63.8102.2163.6-61.10000120.8
320V29.3Very low33.1Very low144 Ų144119.6 Ų119.687%0.87379%0.789SS**  trans-122.8134.5143.4-72.70000109.3
321V30.6Very low34Very low135 Ų135121.7 Ų121.782%0.81880%0.795SS**  trans-156.7138.5-177.2170.20000106.7
322S28.5Very low34.5Very low105 Ų105123 Ų12373%0.73480%0.798SS**  cis-158.2157.8-21.3-94.30000108.2
323V32.8Very low35.7Very low123 Ų123126.1 Ų126.175%0.74580%0.799SS**  trans-90.5144.2173.9177.40000110.4
324P37.3Very low36.7Very low120 Ų120133.4 Ų133.478%0.77980%0.803SS**  trans-109.2126.3148.233.6-26000110.9
325S31.2Very low37.4Very low98 Ų98127.6 Ų127.669%0.68580%0.795SS**  trans-94.6142.9-175.9-510000112.1
326H30.3Very low38.2Very low199 Ų199128 Ų12892%0.92180%0.798SS**  trans-135.1136.5156.8-82.5-81000110.4
327S33Very low38Very low109 Ų109130.2 Ų130.276%0.76280%0.803SS**  trans-130.1128.8-174.854.60000110.7
328S31Very low38.9Very low126 Ų126127.9 Ų127.988%0.88180%0.798SS**  trans-163.7135.1163.6-84.40000113.6
329A33.6Very low39.8Very low85 Ų85133.3 Ų133.370%0.70281%0.806SS**  trans37.892.4147.800000121.2
330S48Very low40.8Very low118 Ų118135.5 Ų135.583%0.82581%0.807SS**  31.689.9125.361.40000120.3
331S49.9Very low41.4Very low102 Ų102136.3 Ų136.371%0.71381%0.807SS**  trans-163-168.9140.738.50000109.6
332D42.1Very low42.3Very low145 Ų145135.3 Ų135.378%0.77581%0.805SS**  trans62105.4166.9-53.3-29.8000119.3
333K55.8Low43.3Very low205 Ų205136.1 Ų136.189%0.89181%0.806SS**  trans-120.712.4173.8-88.6-170.5173.6-177.20115.1
334Y54.3Low43.8Very low235 Ų235139.9 Ų139.992%0.92281%0.813SS**  trans-132.338.9-170-86.2-79.1000114.7
335A48.8Very low43.6Very low91 Ų91139.3 Ų139.375%0.75281%0.811SS**  trans-109.7-7.9179.800000115.4
336A45.9Very low43.7Very low97 Ų97140.2 Ų140.280%0.80282%0.818SS**SBendtrans-108.531.8-162.700000115.6
337L42.4Very low43.9Very low171 Ų171135.6 Ų135.690%0.89581%0.814SS**SBendtrans-135.115177.4-73177.4000114.3
338A50.8Low44.1Very low94 Ų94135.5 Ų135.578%0.77782%0.82SS**SBendtrans-82.7-13.6179.600000114.5
339E51.3Low44Very low181 Ų181135.3 Ų135.385%0.84681%0.814SS**SBendtrans-119.653.3-167.3-63.1-161.3130.100114.5
340L49.7Very low44Very low163 Ų163136.3 Ų136.385%0.85382%0.815SS**SBendtrans-138.59.8164.9-84.9-173.7000115.9
341D42Very low43.1Very low161 Ų161136.5 Ų136.586%0.86182%0.817SS**SBendtrans-99.65.2179.2-156.943.1000114.1V343D341-V343 PolarHBondContact O-N 2.97Å
342S50.6Low42.7Very low113 Ų113139.9 Ų139.979%0.7983%0.827SS**SBendtrans-10133.4-168.5-170.40000115.2
343V48.5Very low42.2Very low123 Ų123137.2 Ų137.275%0.74583%0.825SS**SBendtrans-129.3-6.5-178.6-73.40000116.8D341D341-V343 PolarHBondContact O-N 2.97Å
344F43.2Very low41.1Very low202 Ų202136.9 Ų136.989%0.88682%0.819SS**SBendtrans-136.635.8-179.7-104.3-77.2000116.9
345S33.8Very low40.2Very low107 Ų107131.3 Ų131.375%0.74881%0.81SS**  trans-164.1124.8151.2-79.70000107.2
346S31.9Very low40.1Very low118 Ų118132.5 Ų132.583%0.82581%0.81SS**  cis-162.3147.343.4-53.50000111.5
347A34.6Very low39.3Very low102 Ų102133.9 Ų133.984%0.84381%0.808SS**  trans-174.176155.100000111.9
348A38.9Very low38.8Very low107 Ų107129.9 Ų129.988%0.88480%0.795SS**  trans-106.982.3174.800000111.1
349T28.1Very low37.8Very low122 Ų122133.2 Ų133.275%0.74880%0.799SS**  trans-144.7113.6176.8-4.50000113.7
350S32.5Very low36.7Very low105 Ų105128.6 Ų128.673%0.73479%0.793SS**  trans40.6119142.561.10000120.8
351S30.8Very low35.8Very low123 Ų123126 Ų12686%0.8679%0.788SS**  trans-150.1115.4143.2-790000109.7
352N41.3Very low35.2Very low173 Ų173123.3 Ų123.393%0.92578%0.782SS**  trans-151120.9175.5-127.2-2.5000109.6
353A30.2Very low34.3Very low88 Ų88122.7 Ų122.773%0.72778%0.777SS**  trans-171.9139.9-170.100000108.7
354Y33.1Very low33.5Very low198 Ų198122.9 Ų122.978%0.77678%0.778SS**  cis-158.5118.5-7.9-125.6-84.5000108.4
355T36.1Very low32.9Very low119 Ų119123.8 Ų123.873%0.7378%0.782SS**  trans53.8-179.1141.165.10000121.1
356P47.2Very low32.6Very low115 Ų115121.8 Ų121.875%0.74778%0.779SS**  cis-114.7-171.7-14.244.2-31.1000111.1
357T28.4Very low32.5Very low126 Ų126123.1 Ų123.177%0.77378%0.782SS**  cis-162.11669.9-139.70000107.4
358S31.7Very low32.6Very low87 Ų87124.7 Ų124.761%0.60878%0.781SS**  cis-174.3168.9-29.8-84.20000108.1
359N30.5Very low33Very low164 Ų164125 Ų12588%0.87777%0.774SS**  trans68.3147.1172.9-61.8-6.9000117
360A28.6Very low33.1Very low85 Ų85126.3 Ų126.370%0.70278%0.782SS**  cis-161.8151.1-18.700000112.7
361S29.5Very low32.9Very low107 Ų107125 Ų12575%0.74879%0.785SS**  trans48.8108.6144.1-54.60000124.2
362S30Very low32.9Very low105 Ų105123.6 Ų123.673%0.73478%0.781SS**  83.4155.8119.678.80000123.4
363S30.8Very low32.4Very low100 Ų100120.6 Ų120.670%0.69977%0.773SS**  trans74.4125.4160.7-510000117.2
364V31.7Very low32.5Very low127 Ų127120.9 Ų120.977%0.7778%0.775SS**  cis90.412232-52.70000116.5
365F30.7Very low32.5Very low221 Ų221119.5 Ų119.597%0.96978%0.776SS**  trans52.2141.3165.7-79.8-85.8000121.1
366G28Very low32.3Very low66 Ų66119.1 Ų119.168%0.6877%0.774SS**  trans143.697.2150.500000119.7
367T30.7Very low31.6Very low145 Ų145120.9 Ų120.989%0.8977%0.772SS**  trans28131.8134.252.40000123.6
368V36.2Very low32.6Very low135 Ų135120.8 Ų120.882%0.81877%0.774SS**  trans-58158.3150.5-107.50000112
369P47.6Very low32.7Very low113 Ų113120.2 Ų120.273%0.73477%0.774SS**  -152.4171.550.842.3-21.2000120.3
370V29Very low32.9Very low150 Ų150117.7 Ų117.791%0.90977%0.77SS**  trans48125.4145.9174.60000121.8
371G28.5Very low33.1Very low78 Ų78119.4 Ų119.480%0.80478%0.776SS**  trans-175.9138.6159.100000112.8
372A30.7Very low33.1Very low93 Ų93117.4 Ų117.477%0.76977%0.773SS**  trans-104.3167.9-177.600000111.5
373S31.5Very low34Very low110 Ų110118.7 Ų118.777%0.76978%0.779SS**  -175.4157.258.3-55.80000113.7
374A32.9Very low34.4Very low94 Ų94118.1 Ų118.178%0.77778%0.78SS**  trans63.5145.5159.300000117.3
375Q32.1Very low35.2Very low170 Ų170117.2 Ų117.279%0.79478%0.776SS**  cis-159.7169.13.2-135.2-175.3-111.300107.5
376T31.8Very low35.1Very low111 Ų111116.9 Ų116.968%0.68178%0.775SS**  cis-148.6-166.911.5-360000110.2
377Q32.5Very low35.2Very low152 Ų152117 Ų11771%0.7178%0.776SS**  trans-122.9-175.3171.2-86.2-75.2-4300108.3
378P49.6Very low35.2Very low124 Ų124115.1 Ų115.181%0.80578%0.775SS**  cis-126.4178.58.838.3-20.5000114.6
379A33.1Very low35.2Very low75 Ų75115.1 Ų115.162%0.6278%0.776SS**  cis-164.7-150.6-30.900000104.5
380S35.8Very low35Very low111 Ų111115.8 Ų115.878%0.77678%0.78SS**  cis-172.5149.4-9.932.40000105.2
381S33.3Very low35.4Very low120 Ų120113.7 Ų113.784%0.83977%0.772SS**  cis-160.1178.9-4.151.60000109.4
382G29.5Very low35.8Very low66 Ų66116.4 Ų116.468%0.6877%0.773SS**  trans-95.1-153.4176.600000114.4
383P47.5Very low36.1Very low132 Ų132118.8 Ų118.886%0.85777%0.773SS**  cis-128.3169.911.242.2-27.6000116.5
384A38.9Very low36.6Very low87 Ų87119 Ų11972%0.71977%0.772SS**  trans-88.6-173.716100000110.8
385P48.7Very low36.8Very low108 Ų108124.1 Ų124.170%0.70178%0.777SS**  -151.917194.240.2-23000116.9
386F30.3Very low37.1Very low215 Ų215122.5 Ų122.594%0.94378%0.778SS**  trans25143.7158.8-55.1-63.1000122
387G29.6Very low37.1Very low68 Ų68121.8 Ų121.870%0.70178%0.784SS**  cis158.4177.4-0.100000113
388A30.4Very low37.1Very low105 Ų105118.7 Ų118.787%0.86878%0.784SS**  trans68.2132.1171.700000120
389T36.1Very low36.4Very low136 Ų136119.6 Ų119.683%0.83479%0.788SS**  trans-99.8158.2149.253.70000108.5
390P43Very low36.4Very low127 Ų127119.5 Ų119.583%0.82579%0.794SS**  -147.7-17910039-22.4000114.9
391S38.1Very low37Very low106 Ų106120 Ų12074%0.74180%0.795SS**  trans-78.6157.1178.653.20000115.3
392T36.3Very low37Very low135 Ų135120.4 Ų120.483%0.82880%0.798SS**  trans-169159.7133-77.30000110.6
393N38.2Very low37.1Very low142 Ų142122.1 Ų122.176%0.75981%0.806SS**  trans-76.3154.9-169.2-52.4-60000115.1
394P40.6Very low36.4Very low116 Ų116120.8 Ų120.875%0.75381%0.806SS**  trans-95.9131.2176.635.5-31.4000113.8
395F36.8Very low36.1Very low200 Ų200122.5 Ų122.588%0.87781%0.812SS**  trans-151.6139.8167.6-98.5-76.8000112.6
396V38.1Very low35.6Very low136 Ų136123.2 Ų123.282%0.82482%0.82SS**  trans68.197.7165.3-168.90000119.3
397A32.6Very low36.3Very low97 Ų97118.8 Ų118.880%0.80281%0.81SS**  trans-11.5151.8150.600000123.3
398A33.4Very low37.1Very low87 Ų87123.2 Ų123.272%0.71982%0.818SS**  trans-159.8140.6130.100000113.6
399T33.3Very low38Very low142 Ų142122.8 Ų122.887%0.87181%0.807SS**  trans45.5129.7151.852.80000122.9
400G33.1Very low38.5Very low74 Ų74126.6 Ų126.676%0.76381%0.812SS**  trans-90-142.6162.900000112.7
401P49.1Very low38.2Very low122 Ų122129.3 Ų129.379%0.79281%0.814SS**  cis-129.2174.3-1.942.7-28.7000114.3
402S32.9Very low38.2Very low128 Ų128130.4 Ų130.490%0.89582%0.816SS**  trans178.1164.9139.5-86.50000114
403A31.5Very low38.2Very low102 Ų102131.4 Ų131.484%0.84382%0.816SS**  trans-86154.7-169.300000115.7
404A34Very low38Very low104 Ų104128 Ų12886%0.8681%0.808SS**  -169.4139.712100000110.8
405S31.8Very low37.8Very low123 Ų123134.5 Ų134.586%0.8682%0.817SS**PPolyproline II helixtrans-96.7138.6175.3-56.30000111.1
406S38.7Very low37.6Very low122 Ų122128.1 Ų128.185%0.85381%0.808SS**PPolyproline II helixtrans-84.3148.6173.550.40000112.6
407T45.3Very low37.5Very low122 Ų122126.3 Ų126.375%0.74881%0.808SS**PPolyproline II helixtrans-89.3134.2-165-48.40000113.6
408N45.8Very low37.7Very low162 Ų162128.6 Ų128.687%0.86681%0.812SS**  trans-105.8118.3157.4-82.4-44.1000109.2
409P49.3Very low37.6Very low96 Ų96127.8 Ų127.862%0.62381%0.812SS**  trans-98.9120.9-179.334.3-29.3000112.5
410F46.3Very low37.9Very low216 Ų216129 Ų12995%0.94781%0.812SS**  trans-170.8126.6136.9-87.9-57.6000109.2
411Q37.7Very low38Very low184 Ų184131.2 Ų131.286%0.8682%0.816SS**  trans-92158.9172.4-67.9-175.4-12.200109.5
412T36.7Very low37.2Very low129 Ų129129.2 Ų129.279%0.79182%0.817SS**  -154.4134.57737.50000111.5
413N36.9Very low37.4Very low155 Ų155127 Ų12783%0.82981%0.807SS**  73.9131.892.9-149.828.6000112.9
414A34.6Very low37.6Very low71 Ų71130.2 Ų130.259%0.58781%0.806SS**  cis-153.8165.113.400000113.2
415R35.8Very low37.6Very low252 Ų252133.9 Ų133.995%0.95181%0.805SS**  trans32.6139.4148.3-61.8173.6178.7175.5-1.5120.9
416G31.9Very low37.7Very low67 Ų67132.1 Ų132.169%0.69179%0.793SS**  cis148165.1-0.300000112.9
417A36.1Very low37.6Very low98 Ų98134.5 Ų134.581%0.8179%0.791SS**  trans63.8153.1-178.700000115
418T36.8Very low37Very low144 Ų144135.1 Ų135.188%0.88379%0.794SS**  cis-158.5148-14.414.80000104.1
419G32.8Very low36.5Very low70 Ų70136.8 Ų136.872%0.72279%0.794SS**  cis134.5170.44400000108
420L39.6Very low36.8Very low168 Ų168136.5 Ų136.588%0.8879%0.792SS**  trans68.990169.2-67.9162.1000120.4
421S34.3Very low36.2Very low121 Ų121134.8 Ų134.885%0.84679%0.787SS**  37.8138.2109.8-47.90000123.4
422G33.7Very low36.1Very low79 Ų79129.2 Ų129.281%0.81477%0.772SS**  trans105.5109.8158.100000114.1
423A35.4Very low35.8Very low82 Ų82131.1 Ų131.168%0.67877%0.772SS**  cis104.1110.920.800000115.5
424M36.7Very low35.5Very low169 Ų169133.4 Ų133.483%0.83377%0.774SS**  trans71.6129.6139.575.3-161.4157.800124.6
425H33.6Very low35.3Very low181 Ų181133.8 Ų133.884%0.83878%0.778SS**  trans67.3160159-7484.9000120.1
426S34.4Very low35.3Very low87 Ų87126.4 Ų126.461%0.60877%0.771SS**  cis-173.3146.2-43.3-147.50000112.1
427Q36.4Very low35.3Very low172 Ų172128.8 Ų128.880%0.80477%0.772SS**  trans69.2164.4160.8-59.4-60.4-16.200121.8
428V32.2Very low35.3Very low134 Ų134133.7 Ų133.781%0.81278%0.775SS**  trans95.4101.8158.5-169.80000119.3
429F36.2Very low35.2Very low197 Ų197130.5 Ų130.586%0.86477%0.771SS**  trans-71.6166.2154.1-89.8-82.2000110.9
430P54.2Low35.5Very low91 Ų91133.8 Ų133.859%0.59178%0.777SS**  cis-160.7-178.347.546.3-24.5000120.5
431H33.8Very low35.2Very low180 Ų180130.6 Ų130.683%0.83378%0.775SS**  trans64.5152.2153.4-59.3135.7000120.8
432A35.4Very low35.2Very low66 Ų66129.4 Ų129.455%0.54577%0.767SS.*  cis-172.7170.2-24.700000112.3
433H31.6Very low35.3Very low170 Ų170133.3 Ų133.379%0.78777%0.766SS**  trans85.6154.6155-59.1-65.7000123
434F30.5Very low35.5Very low202 Ų202134.4 Ų134.489%0.88677%0.768SS**  trans73.4140.7172-63.4-88000119.8
435A30.6Very low35.8Very low79 Ų79134.9 Ų134.965%0.65377%0.771SS**  cis-173.8145.8-32.100000111.2
436A34.5Very low36.6Very low98 Ų98132.4 Ų132.481%0.8177%0.771SS**  trans64.8163.5154.200000117.2
437T32.5Very low36.8Very low116 Ų116133 Ų13371%0.71278%0.78SS**  cis-159.6145.5-16.2-119.20000110.8
438F36.6Very low36.6Very low202 Ų202127.7 Ų127.789%0.88677%0.773SS**  trans33.8136.9159.3-72.5-110.8000123.1
439G33.7Very low36.6Very low76 Ų76132.2 Ų132.278%0.78478%0.782SS**  trans177.5129.8157.600000112.9
440T39.6Very low36.4Very low139 Ų139126.3 Ų126.385%0.85378%0.776SS**  trans-135.8157.6-179.152.30000112.1
441A32.6Very low35.7Very low102 Ų102128.6 Ų128.684%0.84379%0.788SS**  trans66.9161.6175.300000116.5
442S36Very low36.4Very low95 Ų95125.7 Ų125.766%0.66479%0.786SS**  cis-168.9156.5-34.2-166.70000109.8
443M34.6Very low36.1Very low162 Ų162126.7 Ų126.780%0.79879%0.794SS**  trans56.1126.4165.9-57.3-53.317200122.5
444S40.8Very low35.9Very low105 Ų105127.2 Ų127.273%0.73480%0.797SS**  trans58.9120131.1-55.60000124.5
445M42.6Very low35.8Very low179 Ų179128 Ų12888%0.88280%0.795SS**  trans37.7135.1133.9-59.5-68.2-106.900122.1
446P50.7Low35.9Very low129 Ų129128.9 Ų128.984%0.83880%0.797SS**  -136.3177.1129.738.3-26.4000115.9
447A37Very low36.1Very low98 Ų98132 Ų13281%0.8180%0.799SS**  trans-65.6173-176.900000115.2
448G32.5Very low36.5Very low62 Ų62132.3 Ų132.364%0.63980%0.803SS**  cis108.41222.800000114.3
449F32.1Very low36.5Very low229 Ų229128.7 Ų128.7100%1.00480%0.797SS**  trans-177.2156.4161.3-116.4-78000111.4
450G32.1Very low36.6Very low72 Ų72130.5 Ų130.574%0.74280%0.798SS**  trans110.595.4157.800000118.1
451T39.1Very low36.2Very low139 Ų139133.6 Ų133.685%0.85380%0.8SS**  trans-90.9156.116255.10000110.1
452P48.9Very low36.3Very low120 Ų120133.6 Ų133.678%0.77979%0.794SS**  -150.5151.790.538.4-20.5000117.8
453A30.4Very low36Very low87 Ų87132.2 Ų132.272%0.71980%0.795SS**  trans68.3132.6138.900000123.8
454Q27.6Very low35.9Very low180 Ų180130 Ų13084%0.84180%0.795SS**  trans67.1124.6157.6-38.6-141.3-102.100117.3
455Y27.8Very low35.5Very low219 Ų219135.4 Ų135.486%0.85981%0.806SS**  52.912756.8-96-111.4000113.1
456S31.9Very low35Very low97 Ų97134.8 Ų134.868%0.67880%0.801SS**  cis-162.2155-127.90000110.9
457L39.6Very low34.8Very low163 Ų163137.3 Ų137.385%0.85380%0.801SS**PPolyproline II helixtrans-68.8135.6167.5-73.2164.9000110.3
458P39.8Very low35.5Very low124 Ų124138.2 Ų138.281%0.80580%0.799SS**PPolyproline II helixtrans-75.4140174.430.9-33.7000111.4
459T37Very low35.6Very low125 Ų125139.2 Ų139.277%0.76780%0.801SS**PPolyproline II helixtrans-103.1158177.642.60000112.4
460S35.7Very low35.7Very low115 Ų115137.4 Ų137.480%0.80479%0.793SS**  trans69.2120.7156.2-54.80000119.7
461F32.1Very low36.5Very low204 Ų204139.7 Ų139.790%0.89580%0.795SS**  -150.6160.8115-157.5-109000111.7
462S33.8Very low36.3Very low101 Ų101136.8 Ų136.871%0.70679%0.785SS**  trans-102.9155-177-56.30000111.8
463G29.8Very low35.6Very low66 Ų66140.1 Ų140.168%0.6879%0.79SS**  trans170.7112166.500000117.4
464S31.8Very low35.8Very low115 Ų115140.8 Ų140.880%0.80480%0.795SS**  trans18.6121.714356.30000120.2
465F32.4Very low35.9Very low220 Ų220136 Ų13697%0.96579%0.787SS**  trans-101.2118.6149.2-113.8-91.8000109.6
466Q34.1Very low36Very low166 Ų166135.2 Ų135.278%0.77679%0.789SS**  trans-122135179-179.566.53400108.9
467Q45.2Very low36.8Very low181 Ų181135.8 Ų135.885%0.84679%0.79SS**  trans-88.5148.2177.4-78.7-164-18.800113.6
468P51.3Low36.5Very low118 Ų118135.8 Ų135.877%0.76679%0.786SS**  trans-117.8159.5152.437.8-28000112.7
469A34.8Very low36.3Very low82 Ų82137 Ų13768%0.67878%0.781SS**  cis-173.9128.3-21.400000112
470F34.8Very low36.1Very low192 Ų192136.8 Ų136.884%0.84278%0.779SS**  trans61.7170.5150-76.2-63.5000120
471P48.3Very low35.8Very low120 Ų120135.2 Ų135.278%0.77977%0.773SS**  cis-102.2147.47.611.312.8000115
472A35.2Very low35.8Very low77 Ų77135.5 Ų135.564%0.63677%0.774SS**  76.1137.672.900000113.7
473Q34.6Very low35.7Very low190 Ų190136.6 Ų136.689%0.88878%0.782SS**  cis-122.1-149.413.2-61.5-176.424.100110.9
474A33.8Very low35.9Very low101 Ų101142 Ų14284%0.83579%0.789SS**  cis-151.6-141.49.500000114
475A29.8Very low35.9Very low81 Ų81144 Ų14467%0.66979%0.786SS**  trans-117142.4-155.100000116.8
476F29.8Very low36.6Very low202 Ų202138.2 Ų138.289%0.88677%0.771SS**  35164.4128.2-69.9-75.5000123.7
477P49.8Very low36.4Very low108 Ų108138 Ų13870%0.70178%0.775SS**  cis-135.2155.9-9.728.6-6.3000118.2
478Q32.2Very low35.7Very low164 Ų164132.8 Ų132.877%0.76677%0.77SS**  trans28.9137.6130.3-135.3-175.51.600125
479Q35.3Very low34.9Very low150 Ų150132.7 Ų132.770%0.70178%0.779SS**  113.8135.4123.4-129.3174.937.800123.1
480T33.7Very low34.7Very low119 Ų119131.8 Ų131.873%0.7378%0.778SS**  trans72113.1148.421.70000125.3
481A29.2Very low34.7Very low83 Ų83132.7 Ų132.769%0.68678%0.782SS**  54.9130.1120.400000124.9
482F32.4Very low34Very low209 Ų209130.6 Ų130.692%0.91778%0.775SS**  trans33.2119.1145-75.2-83.6000122.1
483S31.4Very low33.8Very low125 Ų125132.4 Ų132.487%0.87478%0.778SS**  -178.3160.7112.741.70000111.3
484Q34.5Very low33.9Very low178 Ų178132.2 Ų132.283%0.83278%0.775SS**  trans-155.9115.4-179.2-143.5-101.589.600110.9
485Q31.7Very low34Very low157 Ų157131 Ų13173%0.73477%0.772SS**  trans150.9163.2177.6-93.1-64.8-61.800107.7
486P46.4Very low34.3Very low99 Ų99134.1 Ų134.164%0.64377%0.773SS**  cis-131.3176.2-340.8-25000116.1
487N29.9Very low34.5Very low161 Ų161130.5 Ų130.586%0.86177%0.767SS**  trans49.8142.6147-82.9-6.1000124.1
488G30.6Very low33.9Very low72 Ų72134 Ų13474%0.74277%0.772SS**  trans157.865.7137.700000122.1
489A34.7Very low34.1Very low116 Ų116132.2 Ų132.296%0.95977%0.774SS**  trans57.9155.815500000120.7
490G31.7Very low34.3Very low64 Ų64131.2 Ų131.266%0.6678%0.778SS**  cis171.5166.8-10.900000114.7
491F33.2Very low34.3Very low210 Ų210131.4 Ų131.492%0.92178%0.779SS**  trans68148171-79.5-94.8000118.1
492A35.3Very low34.9Very low76 Ų76133.6 Ų133.663%0.62878%0.783SS**  cis-146.1154.511.400000114.8
493T30.4Very low35.8Very low116 Ų116128.6 Ų128.671%0.71277%0.772SS**  53.7129.8127.2-61.90000120.8
494F35.4Very low36Very low186 Ų186132.7 Ų132.782%0.81678%0.775SS**  cis-161.9155.1-6.1-137.5-105.6000109.4
495G36Very low36Very low75 Ų75127.4 Ų127.477%0.77377%0.768SS**  trans-177.9109.7172.800000114.5
496Q36.5Very low36.1Very low147 Ų147129 Ų12969%0.68778%0.775SS**  trans-77.5160171.8-76.7-84.3-2.400110.2
497T35.2Very low35.5Very low126 Ų126131 Ų13177%0.77379%0.785SS**  cis-147.6146.338.450.50000116.1
498K36.1Very low35.6Very low182 Ų182127.9 Ų127.979%0.79178%0.782SS**  trans4.4132.5155.8-63.8-178.4177-179.80121.5
499P36.7Very low35.7Very low126 Ų126129.4 Ų129.482%0.81879%0.788SS**  trans-104.6174.3150.238.8-31.6000113.8
500V38.7Very low35.5Very low129 Ų129128.6 Ų128.678%0.78278%0.781SS**  trans-138.6113.9177.3170.70000105.9
501V33.5Very low35.6Very low123 Ų123129.3 Ų129.375%0.74579%0.788SS**  64.6116.384.2165.80000110.5
502T42.5Very low35.7Very low128 Ų128125.6 Ų125.679%0.78578%0.783SS**  cis-150.2-158.223.1-13.20000112
503P52.1Low35.8Very low105 Ų105127.3 Ų127.368%0.68279%0.79SS**  trans-124.3-145.9-142.945.1-23.1000115.7
504F35.2Very low36.3Very low210 Ų210126.7 Ų126.792%0.92179%0.791SS**  trans75.2140.6-166.8-77.5-102.9000114.8
505G34.4Very low36.7Very low67 Ų67125.3 Ų125.369%0.69179%0.791SS**  cis172.2128.6-11.400000115.6
506Q34.2Very low37Very low191 Ų191126.7 Ų126.789%0.89379%0.787SS**  trans72.4144.9151-119.1176.8-4.500122.5
507V33.8Very low36.9Very low140 Ų140128.6 Ų128.685%0.84879%0.793SS**  trans74.1138.8161.9-172.50000119
508A31.5Very low37.4Very low96 Ų96131.6 Ų131.679%0.79380%0.801SS**  trans-87.6152.4-169.400000115.2
509A33.1Very low37.4Very low104 Ų104129 Ų12986%0.8680%0.801SS**  trans-147.6159.2153.700000109.4
510A30.3Very low37.4Very low99 Ų99126.1 Ų126.182%0.81879%0.794SS**PPolyproline II helixtrans-80.6137.5-171.900000113.6
511G33.4Very low37.4Very low79 Ų79124.9 Ų124.981%0.81480%0.797SS**PPolyproline II helixtrans-83.2119.8168.400000111.5
512V35.8Very low38.1Very low133 Ų133124.8 Ų124.881%0.80680%0.799SS**PPolyproline II helixtrans-79135.2175.6177.90000110.2
513S37.4Very low37.8Very low111 Ų111125.7 Ų125.778%0.77680%0.804SS**  trans-120.6120.2163.660.50000110.6N515S513-N515 PolarHBondContact O-N 3.21Å
514S40.7Very low37Very low104 Ų104124.3 Ų124.373%0.72781%0.809SS**  trans-92101-170.6-58.10000111.9P516S514-P516 WeakPolarHBondContact O-CD 3.46Å
515N43.6Very low37Very low156 Ų156123.5 Ų123.583%0.83481%0.808SS**  trans-91.4108.8163-82.4-21.8000109.6S513S513-N515 PolarHBondContact O-N 3.21Å
516P43.1Very low37Very low105 Ų105128.2 Ų128.268%0.68282%0.816SS**  trans-76.7146.917632.4-34.6000111.6S514S514-P516 WeakPolarHBondContact O-CD 3.46Å
517F34.4Very low37.5Very low187 Ų187124.6 Ų124.682%0.8281%0.81SS**SBendtrans67.858.8174.2-62.9-76.5000118.3
518M44.8Very low37.8Very low188 Ų188124.8 Ų124.893%0.92681%0.811SS**  -135.962.3129.9-80.8-147.476.200111.9
519T36.8Very low37.9Very low129 Ų129124 Ų12479%0.79181%0.813SS**  trans-73.1138.4149.649.30000108.6
520G35.4Very low38.3Very low65 Ų65125.1 Ų125.167%0.6781%0.814SS**  cis149.8106.8-1.400000111.5
521A38.9Very low38.7Very low102 Ų102126.4 Ų126.484%0.84382%0.817SS**  trans67.7169.4139.500000118.9
522P48.8Very low39.3Very low122 Ų122127.3 Ų127.379%0.79281%0.811SS**  cis-119.2171.6-6.440.2-27.7000114.6
523T36.9Very low39.9Very low146 Ų146126.7 Ų126.790%0.89681%0.808SS**  trans-73.1129.5164.845.60000111.4
524G34.5Very low40.3Very low76 Ų76128.6 Ų128.678%0.78481%0.809SS**  trans-106.8163.8168.700000112.4
525Q34.6Very low41.1Very low194 Ų194128.8 Ų128.891%0.90781%0.808SS**  trans-78.9154.4-173.8-66.5157.6-68.400113.5
526L34.9Very low41.2Very low165 Ų165130.6 Ų130.686%0.86481%0.809SS**  trans-56.5143.3158.5-82.7161.5000110
527P44.6Very low41Very low116 Ų116137.3 Ų137.375%0.75384%0.838SS**  -133.917590.239.3-30.1000115.3
528T39.8Very low41.3Very low143 Ų143134.8 Ų134.888%0.87784%0.838SS**  trans-47.9133.917749.40000115.3
529G34.1Very low41.2Very low80 Ų80132 Ų13283%0.82583%0.834SS**  trans-165.3113.2166.100000111.8
530S40.8Very low41.4Very low128 Ų128132.2 Ų132.290%0.89584%0.836SS**  trans-100.5128.2-178.937.70000112.1
531S39.7Very low41.8Very low125 Ų125136.1 Ų136.187%0.87485%0.846SS**  trans-157.4151152.8-162.50000112.6
532S45.5Very low41.9Very low98 Ų98138.3 Ų138.369%0.68585%0.846SS**  trans-88.3149.6174.4169.30000110.7
533T49.3Very low41.5Very low120 Ų120139.3 Ų139.374%0.73685%0.85SS**  174.6121.4112.7-70.10000111.7
534N45.9Very low41.8Very low151 Ų151138.9 Ų138.981%0.80785%0.846SS**  trans-91.2129.4162.3-76.4-34.8000110
535P56.8Low42.4Very low109 Ų109143.7 Ų143.771%0.70885%0.851SS**  trans-94.488.7160.734-27.4000110.3
536F44.8Very low43Very low193 Ų193139.5 Ų139.585%0.84685%0.847SS**  trans58.779.4161.3-57.3-81000118.6
537L40.1Very low43.8Very low246 Ų246137.2 Ų137.2100%1.28885%0.845SS**  trans35.40138.9-75.6161000118.6

Retrieved 537 of 537 residues in 353.6 ms (Link to these results)

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