A0A087X3K8_POEFO Loading...

Target of rapamycin complex 2 subunit MAPKAP1

AlphaFold DB , UniProt , Accession A0A087X3K8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 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
1M50.6Low73.8Confident227 Ų227106.2 Ų106.2100%1.11859%0.589SS**  0122.60-70.6-176.8173.900106.5
2A63.5Low74.4Confident90 Ų90102.3 Ų102.374%0.74458%0.581SS**  trans-80.6130.9174.600000108.2L4A2-L4 PolarHBondContact O-N 3.29Å
3F67.1Low75.1Confident164 Ų164102.9 Ų102.972%0.71958%0.576SS**  trans-83.8100175.5-71.4-80000108.2D5F3-D5 VanDerWaalsContact C-N 3.35Å; F3-D5 VanDerWaalsContact C-OD1 3.22Å; F3-D5 VanDerWaalsContact CA-OD1 3.3Å; F3-D5 WeakPolarHBondContact CA-OD1 3.39Å; F3-D5 WeakPolarHBondContact CD1-OD2 3.2Å
4L70.2Confident75.9Confident87 Ų87101.2 Ų101.246%0.45556%0.563SS.*  trans-101.460.6175.4-72.9170.3000108.5A2 I9 I10A2-L4 PolarHBondContact O-N 3.29Å; L4-I9 HydrophobicContact CD2-CG2 4Å; L4-I10 HydrophobicContact CB-CG1 4.28Å; L4-I10 VanDerWaalsContact O-CD1 3.27Å; L4-I10 WeakPolarHBondContact O-CD1 3.49Å
5D76.8Confident76.4Confident121 Ų12197.9 Ų97.965%0.64754%0.539SS*.  trans-102.2-19.2-169.1-41-8.8000110.4F3F3-D5 VanDerWaalsContact C-N 3.35Å; F3-D5 VanDerWaalsContact C-OD1 3.22Å; F3-D5 VanDerWaalsContact CA-OD1 3.3Å; F3-D5 WeakPolarHBondContact CA-OD1 3.39Å; F3-D5 WeakPolarHBondContact CD1-OD2 3.2Å
6N81.7Confident76.8Confident81 Ų8199.3 Ų99.343%0.43354%0.54SS..  trans-91.4118.6-180-174.8-23.8000110.4A8 I9 I10N6-A8 PolarHBondContact O-N 2.89Å; N6-A8 WeakPolarHBondContact OD1-CB 3.46Å; N6-A8 PolarHBondContact OD1-N 2.78Å; N6-I9 HydrophobicContact CB-CB 4.39Å; N6-I9 HydrophobicContact CB-CD1 3.99Å; N6-I9 HydrophobicContact CB-CG1 4.03Å; N6-I9 PolarHBondContact O-N 3.16Å; N6-I10 WeakPolarHBondContact O-CG1 3.48Å; N6-I10 PolarHBondContact O-N 3.36Å; N6-I10 VanDerWaalsContact O-N 3.17Å
7P80.3Confident77.3Confident90 Ų9095.8 Ų95.858%0.58453%0.525SS*.Hα-helixtrans-60.3-28.9-17724.5-34.6000113.5I9 I10 L11P7-I9 VanDerWaalsContact C-N 3.35Å; P7-I10 PolarHBondContact O-N 3.47Å; P7-L11 WeakPolarHBondContact O-CB 3.41Å; P7-L11 WeakPolarHBondContact O-CG 3.38Å; P7-L11 PolarHBondContact O-N 2.75Å
8A76.7Confident77.8Confident61 Ų6195.9 Ų95.950%0.50452%0.521SS..Hα-helixtrans-66-38.8176.300000111.9N6 A12N6-A8 PolarHBondContact O-N 2.89Å; N6-A8 WeakPolarHBondContact OD1-CB 3.46Å; N6-A8 PolarHBondContact OD1-N 2.78Å; A8-A12 WeakPolarHBondContact O-CB 3.47Å; A8-A12 PolarHBondContact O-N 3.29Å
9I79.7Confident78.2Confident90 Ų9093.2 Ų93.246%0.46251%0.508SS..Hα-helixtrans-70.2-38.7177.5-59.9-178.3000110.1L4 N6 P7 H13L4-I9 HydrophobicContact CD2-CG2 4Å; N6-I9 HydrophobicContact CB-CB 4.39Å; N6-I9 HydrophobicContact CB-CD1 3.99Å; N6-I9 HydrophobicContact CB-CG1 4.03Å; N6-I9 PolarHBondContact O-N 3.16Å; P7-I9 VanDerWaalsContact C-N 3.35Å; I9-H13 VanDerWaalsContact O-CB 3.29Å; I9-H13 WeakPolarHBondContact O-CB 3.37Å; I9-H13 PolarHBondContact O-N 3.31Å
10I83.1Confident78.5Confident63 Ų6393.3 Ų93.332%0.32351%0.511SS..Hα-helixtrans-64.6-45.6176.9-59.7171.2000110.6L4 N6 P7 H13 I14L4-I10 HydrophobicContact CB-CG1 4.28Å; L4-I10 VanDerWaalsContact O-CD1 3.27Å; L4-I10 WeakPolarHBondContact O-CD1 3.49Å; N6-I10 WeakPolarHBondContact O-CG1 3.48Å; N6-I10 PolarHBondContact O-N 3.36Å; N6-I10 VanDerWaalsContact O-N 3.17Å; P7-I10 PolarHBondContact O-N 3.47Å; I10-H13 PolarHBondContact O-N 3.28Å; I10-I14 HydrophobicContact CG2-CD1 3.72Å; I10-I14 HydrophobicContact CG2-CG1 4.31Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.27Å; I10-I14 PolarHBondContact O-N 3.15Å
11L82.3Confident78.9Confident94 Ų9493.1 Ų93.149%0.49252%0.517SS..Hα-helixtrans-62.9-44.8178.5-75.5170.1000112.1P7 H13 I14 R15P7-L11 WeakPolarHBondContact O-CB 3.41Å; P7-L11 WeakPolarHBondContact O-CG 3.38Å; P7-L11 PolarHBondContact O-N 2.75Å; L11-H13 VanDerWaalsContact C-N 3.32Å; L11-H13 PolarHBondContact O-N 3.49Å; L11-I14 PolarHBondContact O-N 3.09Å; L11-R15 WeakPolarHBondContact O-CG 3.14Å; L11-R15 PolarHBondContact O-N 3.28Å
12A81.4Confident80.6Confident59 Ų5983.9 Ų83.949%0.48847%0.472SS..Hα-helixtrans-61.2-42175.100000111.6A8 Q16A8-A12 WeakPolarHBondContact O-CB 3.47Å; A8-A12 PolarHBondContact O-N 3.29Å; A12-Q16 WeakPolarHBondContact O-CB 3.3Å; A12-Q16 PolarHBondContact O-N 3.49Å
13H83.6Confident81.4Confident111 Ų11187 Ų8751%0.51448%0.476SS..Hα-helixtrans-64.4-44.5177.1-178.4-83.8000112.2I9 I10 L11 Q16 S17I9-H13 VanDerWaalsContact O-CB 3.29Å; I9-H13 WeakPolarHBondContact O-CB 3.37Å; I9-H13 PolarHBondContact O-N 3.31Å; I10-H13 PolarHBondContact O-N 3.28Å; L11-H13 VanDerWaalsContact C-N 3.32Å; L11-H13 PolarHBondContact O-N 3.49Å; H13-Q16 PolarHBondContact O-N 3.42Å; H13-S17 VanDerWaalsContact O-CB 3.25Å; H13-S17 WeakPolarHBondContact O-CB 3.44Å; H13-S17 PolarHBondContact O-N 3.44Å; H13-S17 PolarHBondContact O-OG 3.19Å; H13-S17 VanDerWaalsContact O-OG 3.12Å
14I85.3Confident82.1Confident79 Ų7983.7 Ų83.741%0.40547%0.47SS..Hα-helixtrans-61.2-48.2177.9-71169.6000110.5I10 L11 S17 H18I10-I14 HydrophobicContact CG2-CD1 3.72Å; I10-I14 HydrophobicContact CG2-CG1 4.31Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.27Å; I10-I14 PolarHBondContact O-N 3.15Å; L11-I14 PolarHBondContact O-N 3.09Å; I14-S17 PolarHBondContact O-N 3.31Å; I14-S17 PolarHBondContact O-OG 3.43Å; I14-H18 WeakPolarHBondContact O-CB 3.39Å; I14-H18 PolarHBondContact O-CD2 3.39Å; I14-H18 PolarHBondContact O-N 3.39Å
15R83.1Confident82.5Confident51 Ų5181.3 Ų81.319%0.19247%0.466CS..Hα-helixtrans-58.7-53.6177.8-72.8-175.3-177.6178.77.9110.9L11 S17 H18 V19 Q34 D35L11-R15 WeakPolarHBondContact O-CG 3.14Å; L11-R15 PolarHBondContact O-N 3.28Å; R15-S17 VanDerWaalsContact C-N 3.32Å; R15-S17 PolarHBondContact O-N 3.33Å; R15-H18 PolarHBondContact O-N 3.4Å; R15-V19 WeakPolarHBondContact O-CB 3.25Å; R15-V19 VanDerWaalsContact O-CG2 3.28Å; R15-V19 WeakPolarHBondContact O-CG2 3.28Å; R15-V19 PolarHBondContact O-N 3.23Å; R15-Q34 PolarHBondContact NH1-O 3.22Å; R15-Q34 VanDerWaalsContact NH2-CB 3.25Å; R15-Q34 PolarHBondContact NH2-O 3.5Å; R15-D35 IonicContact NH1-OD1 3.45Å; R15-D35 PolarHBondContact NH1-OD1 3.35Å
16Q83.2Confident82.6Confident121 Ų12179.6 Ų79.657%0.56546%0.455SS*.Hα-helixtrans-60.7-42.6-178.6-174.164.817.500111.7A12 H13 T20A12-Q16 WeakPolarHBondContact O-CB 3.3Å; A12-Q16 PolarHBondContact O-N 3.49Å; H13-Q16 PolarHBondContact O-N 3.42Å; Q16-T20 HydrophobicContact CG-CG2 4.34Å; Q16-T20 WeakPolarHBondContact O-CB 3.4Å; Q16-T20 WeakPolarHBondContact O-CG2 3.41Å; Q16-T20 PolarHBondContact O-N 3.3Å; Q16-T20 PolarHBondContact O-OG1 2.71Å
17S86.4Confident82.6Confident39 Ų3977.4 Ų77.427%0.27345%0.445SS..Hα-helixtrans-65.4-43.1-179.269.40000111.2H13 I14 R15 S21H13-S17 VanDerWaalsContact O-CB 3.25Å; H13-S17 WeakPolarHBondContact O-CB 3.44Å; H13-S17 PolarHBondContact O-N 3.44Å; H13-S17 PolarHBondContact O-OG 3.19Å; H13-S17 VanDerWaalsContact O-OG 3.12Å; I14-S17 PolarHBondContact O-N 3.31Å; I14-S17 PolarHBondContact O-OG 3.43Å; R15-S17 VanDerWaalsContact C-N 3.32Å; R15-S17 PolarHBondContact O-N 3.33Å; S17-S21 WeakPolarHBondContact O-CB 3.29Å; S17-S21 PolarHBondContact O-N 2.75Å; S17-S21 PolarHBondContact O-OG 2.65Å
18H85.6Confident82.7Confident98 Ų9878.4 Ų78.445%0.45444%0.442SS..Hα-helixtrans-70.2-41178.3-80-73.4000112.8I14 R15 D22 C27 L31I14-H18 WeakPolarHBondContact O-CB 3.39Å; I14-H18 PolarHBondContact O-CD2 3.39Å; I14-H18 PolarHBondContact O-N 3.39Å; R15-H18 PolarHBondContact O-N 3.4Å; H18-D22 WeakPolarHBondContact O-CB 3.16Å; H18-D22 PolarHBondContact O-N 3.39Å; H18-D22 VanDerWaalsContact O-N 3.13Å; H18-C27 HydrophobicContact CB-CB 4.45Å; H18-C27 WeakPolarHBondContact O-CB 3.49Å; H18-L31 HydrophobicContact CB-CD1 4.2Å
19V85.6Confident82.7Confident45 Ų4579.3 Ų79.327%0.27344%0.437SS..Hα-helixtrans-64.5-42.8176.8172.90000111.5R15 E28 L31R15-V19 WeakPolarHBondContact O-CB 3.25Å; R15-V19 VanDerWaalsContact O-CG2 3.28Å; R15-V19 WeakPolarHBondContact O-CG2 3.28Å; R15-V19 PolarHBondContact O-N 3.23Å; V19-E28 HydrophobicContact CG1-CB 4.09Å; V19-E28 HydrophobicContact CG1-CG 4.26Å; V19-L31 HydrophobicContact CG2-CB 4.26Å; V19-L31 HydrophobicContact CG2-CD1 3.79Å
20T84.1Confident82.7Confident95 Ų9578.6 Ų78.658%0.58344%0.437SS*.Hα-helixtrans-83-23.9-17655.60000114.7Q16Q16-T20 HydrophobicContact CG-CG2 4.34Å; Q16-T20 WeakPolarHBondContact O-CB 3.4Å; Q16-T20 WeakPolarHBondContact O-CG2 3.41Å; Q16-T20 PolarHBondContact O-N 3.3Å; Q16-T20 PolarHBondContact O-OG1 2.71Å
21S86.3Confident82.5Confident89 Ų8977.7 Ų77.762%0.62243%0.432SS*.Hα-helixtrans-94.4-14.1179.266.70000114.1S17 D23S17-S21 WeakPolarHBondContact O-CB 3.29Å; S17-S21 PolarHBondContact O-N 2.75Å; S17-S21 PolarHBondContact O-OG 2.65Å; S21-D23 PolarHBondContact O-N 3.4Å
22D87.7Confident81.9Confident34 Ų3477.9 Ų77.918%0.18243%0.433CS..  trans-82.6109.7174.1179.925.1000111H18 T24 M26 C27H18-D22 WeakPolarHBondContact O-CB 3.16Å; H18-D22 PolarHBondContact O-N 3.39Å; H18-D22 VanDerWaalsContact O-N 3.13Å; D22-T24 VanDerWaalsContact C-N 3.27Å; D22-T24 PolarHBondContact O-N 2.9Å; D22-T24 WeakPolarHBondContact OD1-CB 3.41Å; D22-T24 PolarHBondContact OD1-N 3.09Å; D22-T24 PolarHBondContact OD1-OG1 3.36Å; D22-T24 PolarHBondContact OD2-OG1 3.11Å; D22-M26 PolarHBondContact OD2-N 3.39Å; D22-M26 VanDerWaalsContact OD2-N 3.1Å; D22-C27 HydrophobicContact CB-CB 3.72Å; D22-C27 WeakPolarHBondContact OD2-CB 3.49Å; D22-C27 PolarHBondContact OD2-N 3.41Å; D22-C27 PolarHBondContact OD2-SG 2.95Å; D22-C27 VanDerWaalsContact OD2-SG 3.4Å
23D79.1Confident80.7Confident156 Ų15680.3 Ų80.383%0.83444%0.438SS*.THydrogen-bonded Turntrans-76.7-13.4177.661-12.9000113.2S21 G25S21-D23 PolarHBondContact O-N 3.4Å; D23-G25 VanDerWaalsContact C-N 3.33Å
24T81.2Confident79.4Confident94 Ų9479.8 Ų79.858%0.57744%0.435SS*.THydrogen-bonded Turntrans-80.7-14.318073.30000113.4D22 M26D22-T24 VanDerWaalsContact C-N 3.27Å; D22-T24 PolarHBondContact O-N 2.9Å; D22-T24 WeakPolarHBondContact OD1-CB 3.41Å; D22-T24 PolarHBondContact OD1-N 3.09Å; D22-T24 PolarHBondContact OD1-OG1 3.36Å; D22-T24 PolarHBondContact OD2-OG1 3.11Å; T24-M26 PolarHBondContact O-N 3.02Å; T24-M26 WeakPolarHBondContact OG1-CB 3.25Å; T24-M26 WeakPolarHBondContact OG1-CG 3.37Å; T24-M26 PolarHBondContact OG1-N 3.13Å
25G78.9Confident77.9Confident36 Ų3681.9 Ų81.937%0.37145%0.447SS..SBendtrans71.36.3-17700000114.2D23 M29D23-G25 VanDerWaalsContact C-N 3.33Å; G25-M29 PolarHBondContact O-N 3.41Å
26M79.8Confident76.4Confident86 Ų8684.9 Ų84.942%0.42447%0.471SS..Hα-helixtrans-77.1-38.9-177.6-67.9-64-60.100111.5D22 T24 E28 M29 V30D22-M26 PolarHBondContact OD2-N 3.39Å; D22-M26 VanDerWaalsContact OD2-N 3.1Å; T24-M26 PolarHBondContact O-N 3.02Å; T24-M26 WeakPolarHBondContact OG1-CB 3.25Å; T24-M26 WeakPolarHBondContact OG1-CG 3.37Å; T24-M26 PolarHBondContact OG1-N 3.13Å; M26-E28 VanDerWaalsContact C-N 3.29Å; M26-E28 PolarHBondContact O-N 3.46Å; M26-M29 HydrophobicContact CE-CE 3.63Å; M26-M29 PolarHBondContact O-N 3.26Å; M26-M29 HydrophobicContact SD-CE 3.79Å; M26-V30 WeakPolarHBondContact O-CG2 3.37Å; M26-V30 PolarHBondContact O-N 2.93Å
27C82Confident74.9Confident34 Ų3483.5 Ų83.523%0.2347%0.467CS..Hα-helixtrans-61.9-37.2176.4-75.70000111.9H18 D22 L31H18-C27 HydrophobicContact CB-CB 4.45Å; H18-C27 WeakPolarHBondContact O-CB 3.49Å; D22-C27 HydrophobicContact CB-CB 3.72Å; D22-C27 WeakPolarHBondContact OD2-CB 3.49Å; D22-C27 PolarHBondContact OD2-N 3.41Å; D22-C27 PolarHBondContact OD2-SG 2.95Å; D22-C27 VanDerWaalsContact OD2-SG 3.4Å; C27-L31 HydrophobicContact CB-CD1 4.35Å; C27-L31 WeakPolarHBondContact O-CB 3.49Å; C27-L31 WeakPolarHBondContact O-CD1 3.34Å; C27-L31 WeakPolarHBondContact O-CG 3.41Å; C27-L31 PolarHBondContact O-N 3.12Å
28E80.7Confident73.1Confident112 Ų11287.1 Ų87.152%0.52348%0.483SS..Hα-helixtrans-59.3-53.5172.2-172.5179.2-178.900110.3V19 M26 V30 L31 I32V19-E28 HydrophobicContact CG1-CB 4.09Å; V19-E28 HydrophobicContact CG1-CG 4.26Å; M26-E28 VanDerWaalsContact C-N 3.29Å; M26-E28 PolarHBondContact O-N 3.46Å; E28-V30 VanDerWaalsContact C-N 3.33Å; E28-V30 PolarHBondContact O-N 3.11Å; E28-L31 PolarHBondContact O-N 2.76Å; E28-I32 HydrophobicContact CG-CD1 4.22Å; E28-I32 WeakPolarHBondContact O-CD1 3.46Å; E28-I32 WeakPolarHBondContact O-CG1 3.36Å; E28-I32 PolarHBondContact O-N 3.44Å
29M78.5Confident71.2Confident80 Ų8090.7 Ų90.739%0.39450%0.5SS..Hα-helixtrans-60.9-37.6-178-170.9172.159.300113.7G25 M26G25-M29 PolarHBondContact O-N 3.41Å; M26-M29 HydrophobicContact CE-CE 3.63Å; M26-M29 PolarHBondContact O-N 3.26Å; M26-M29 HydrophobicContact SD-CE 3.79Å
30V79Confident69.4Low75 Ų7595.9 Ų95.946%0.45552%0.519SS..Hα-helixtrans-79.1-29.7-178.2174.10000112.4M26 E28 I80M26-V30 WeakPolarHBondContact O-CG2 3.37Å; M26-V30 PolarHBondContact O-N 2.93Å; E28-V30 VanDerWaalsContact C-N 3.33Å; E28-V30 PolarHBondContact O-N 3.11Å; V30-I80 HydrophobicContact CG2-CD1 4.32Å
31L79.6Confident67.5Low44 Ų4496.2 Ų96.223%0.2352%0.524CS..Hα-helixtrans-94.6-7.2-173.5-63.9171.3000114H18 V19 C27 E28 D33H18-L31 HydrophobicContact CB-CD1 4.2Å; V19-L31 HydrophobicContact CG2-CB 4.26Å; V19-L31 HydrophobicContact CG2-CD1 3.79Å; C27-L31 HydrophobicContact CB-CD1 4.35Å; C27-L31 WeakPolarHBondContact O-CB 3.49Å; C27-L31 WeakPolarHBondContact O-CD1 3.34Å; C27-L31 WeakPolarHBondContact O-CG 3.41Å; C27-L31 PolarHBondContact O-N 3.12Å; E28-L31 PolarHBondContact O-N 2.76Å; L31-D33 VanDerWaalsContact C-N 3.32Å; L31-D33 PolarHBondContact O-N 3.46Å
32I69.1Low65.3Low98 Ų9899.9 Ų99.950%0.50353%0.531SS..G310 helixtrans-61-36.4176-77.9159.9000112.6E28 Q34E28-I32 HydrophobicContact CG-CD1 4.22Å; E28-I32 WeakPolarHBondContact O-CD1 3.46Å; E28-I32 WeakPolarHBondContact O-CG1 3.36Å; E28-I32 PolarHBondContact O-N 3.44Å; I32-Q34 PolarHBondContact O-N 2.99Å; I32-Q34 VanDerWaalsContact O-N 3.08Å
33D56.4Low62.9Low110 Ų110105.7 Ų105.759%0.58856%0.562SS**G310 helixtrans-74.8-1.8-171.6-64.5-28000114L31L31-D33 VanDerWaalsContact C-N 3.32Å; L31-D33 PolarHBondContact O-N 3.46Å
34Q56.3Low61Low100 Ų100104.1 Ų104.147%0.46756%0.558SS.*G310 helixtrans-98.14.8-172-136.7-178.947.300113.7R15 I32R15-Q34 PolarHBondContact NH1-O 3.22Å; R15-Q34 VanDerWaalsContact NH2-CB 3.25Å; R15-Q34 PolarHBondContact NH2-O 3.5Å; I32-Q34 PolarHBondContact O-N 2.99Å; I32-Q34 VanDerWaalsContact O-N 3.08Å
35D54.4Low58.9Low122 Ų122107.6 Ų107.665%0.65257%0.572SS**G310 helixtrans-86.5-7.1177.6-72.8-17.5000113.4R15R15-D35 IonicContact NH1-OD1 3.45Å; R15-D35 PolarHBondContact NH1-OD1 3.35Å
36V51.4Low56.7Low114 Ų114112.5 Ų112.569%0.69160%0.595SS**SBendtrans-91.8-17.6-175.5-145.60000113.9
37D50.7Low54.7Low92 Ų92114.5 Ų114.549%0.49261%0.614SS.*SBendtrans-111.9-0.4-171.1-80.4-38000115.6E39 K40D37-E39 PolarHBondContact O-N 2.94Å; D37-K40 PolarHBondContact O-N 3.09Å; D37-K40 IonicContact OD1-NZ 2.64Å
38L49.3Very low52.1Low115 Ų115116.7 Ų116.760%0.60264%0.642SS**THydrogen-bonded Turntrans-67.5-24.5178.6-155.369.5000112.7K40L38-K40 VanDerWaalsContact C-N 3.35Å
39E45.7Very low49.6Very low173 Ų173115.5 Ų115.581%0.80866%0.66SS**THydrogen-bonded Turntrans-72.5-21.7175.6-73-90.4144.700113.3D37D37-E39 PolarHBondContact O-N 2.94Å
40K47.7Very low47.1Very low155 Ų155117.7 Ų117.767%0.67468%0.683SS**THydrogen-bonded Turntrans-89-24-177.1-79.9178.7-176.9164.40114.3D37 L38 Q42D37-K40 PolarHBondContact O-N 3.09Å; D37-K40 IonicContact OD1-NZ 2.64Å; L38-K40 VanDerWaalsContact C-N 3.35Å; K40-Q42 PolarHBondContact O-N 3.46Å
41C43.9Very low44.6Very low102 Ų102120.4 Ų120.469%0.68970%0.704SS**G310 helixtrans-85.1-5.1-174.2-69.30000114.7
42Q40.3Very low42.2Very low165 Ų165121 Ų12177%0.77172%0.72SS**G310 helixtrans-89.8-2.3-174.1-142147.810.500114.4K40K40-Q42 PolarHBondContact O-N 3.46Å
43L37.9Very low40.3Very low157 Ų157121.7 Ų121.782%0.82273%0.734SS**G310 helixtrans-98.34.1-175.6-80.3168.3000115.9
44T37.7Very low38.9Very low123 Ų123121.3 Ų121.376%0.75574%0.74SS**  trans-12326.7-170.1-11.30000115.9
45L38Very low37.5Very low166 Ų166125 Ų12587%0.86976%0.757SS**  trans-100.483.4172.3-84.2156.9000111.8
46V31.9Very low36.2Very low140 Ų140124.1 Ų124.185%0.84876%0.761SS**  trans-139.9139.3154.1177.60000108.3
47P39.2Very low35Very low128 Ų128124.9 Ų124.983%0.83177%0.766SS**  trans-103.4153.6-144.737.5-30.9000114.1
48G27.2Very low33.9Very low80 Ų80125.8 Ų125.883%0.82578%0.779SS**  trans172101.3163.400000116.1
49G28.1Very low32.9Very low87 Ų87128.2 Ų128.290%0.89779%0.792SS**  trans75.4105.3142.200000118.8
50S26Very low32.1Very low125 Ų125125.3 Ų125.387%0.87479%0.791SS**  trans-105.2125.8155.3-1790000109.6
51C26.4Very low31.2Very low132 Ų132127.1 Ų127.189%0.89280%0.802SS**  trans-149.2141.5142.2740000105.6
52G28.9Very low30.5Very low56 Ų56129.2 Ų129.258%0.57781%0.806SS**  cis-170.5159.6-7.300000106.3
53S27.9Very low30Very low114 Ų114126.5 Ų126.580%0.79781%0.806SS**  trans50.7126.2140.3-20.80000121.6
54S27.3Very low29.5Very low101 Ų101123 Ų12371%0.70681%0.807SS**  99.6118.6128.7-55.10000120.4
55E27.3Very low29.1Very low178 Ų178123.6 Ų123.683%0.83281%0.811SS**  82.5129.6129.1-76-177.5146.500122.7
56S28.5Very low29Very low103 Ų103121.7 Ų121.772%0.7281%0.806SS**  trans90.2105.4133.9690000120.4
57T25.1Very low29Very low131 Ų131121.6 Ų121.680%0.80481%0.805SS**  24.3119.3126.243.10000119.4
58S27.5Very low28.8Very low110 Ų110122.5 Ų122.577%0.76980%0.803SS**  154.4132.9100.755.50000114.5
59L29.3Very low29Very low166 Ų166123.5 Ų123.587%0.86980%0.797SS**  trans18.9123.7145-55.7165.4000120.2
60S28.4Very low29.4Very low113 Ų113127.9 Ų127.979%0.7979%0.794SS**  159.2133.6107.445.10000115.2
61E29.3Very low29.8Very low192 Ų192127.7 Ų127.790%0.89779%0.788SS**  trans47.8117.9141-61.8-177.6146.300124.7
62D27.9Very low30.4Very low147 Ų147127.6 Ų127.679%0.78679%0.787SS**  84.2124.4127.4-152.329.5000123.2
63S29.6Very low30.6Very low108 Ų108130.4 Ų130.476%0.75579%0.789SS**  trans59119.8149.9-730000122.7
64G28.6Very low31.4Very low83 Ų83133 Ų13386%0.85679%0.793SS**  trans157.9102.3156.200000114.9
65T29.6Very low32.2Very low135 Ų135133.3 Ų133.383%0.82880%0.795SS**  trans-73.5146.6-177.9-34.50000113.4
66V34.1Very low32.8Very low127 Ų127131.2 Ų131.277%0.7779%0.785SS**  trans85.5103.3158.6-158.40000117
67V32.9Very low33.5Very low137 Ų137131.4 Ų131.483%0.8379%0.786SS**  -170.5128116.2166.60000108.3S69V67-S69 PolarHBondContact O-N 3.31Å
68D35Very low34.6Very low148 Ų148132.3 Ų132.379%0.79178%0.784SS**  trans-46.4127.4174.1-87.5-42.5000113.6
69S30.5Very low35.6Very low100 Ų100133.8 Ų133.870%0.69978%0.783SS**  trans-146.1106.8154.6-176.30000108.6V67 T71V67-S69 PolarHBondContact O-N 3.31Å; S69-T71 PolarHBondContact O-N 3.24Å
70H37.8Very low36.5Very low180 Ų180131 Ų13183%0.83377%0.768SS**  trans-48.897.2176.4-61.2-76.4000112.2
71T34.4Very low37.3Very low121 Ų121131.2 Ų131.274%0.74276%0.764SS**  trans-104.1124.7162.741.60000108.1S69 D73S69-T71 PolarHBondContact O-N 3.24Å; T71-D73 PolarHBondContact O-N 3.34Å
72C37.8Very low38.2Very low129 Ų129126.2 Ų126.287%0.87275%0.75SS**  trans-50.1105.8-176.9-700000112.5L74C72-L74 PolarHBondContact O-N 3.46Å
73D33.6Very low39Very low115 Ų115123.9 Ų123.962%0.61575%0.746SS**  trans-80.961.6174.6-129.80.1000110T71 S75 Q76T71-D73 PolarHBondContact O-N 3.34Å; D73-S75 PolarHBondContact O-N 3.32Å; D73-Q76 PolarHBondContact OD2-NE2 3.3Å
74L44.3Very low39.9Very low170 Ų170128.1 Ų128.189%0.8975%0.745SS**THydrogen-bonded Turntrans-92.341.1176.1-15679.2000111.4C72C72-L74 PolarHBondContact O-N 3.46Å
75S45.8Very low41Very low106 Ų106132.2 Ų132.274%0.74175%0.748SS**THydrogen-bonded Turntrans-149.831.5176.653.80000113.8D73D73-S75 PolarHBondContact O-N 3.32Å
76Q39Very low41.7Very low134 Ų134134.5 Ų134.563%0.62675%0.746SS**  trans-91.4112.2163.3-63.1-170.815.300108.3D73 M78D73-Q76 PolarHBondContact OD2-NE2 3.3Å; Q76-M78 PolarHBondContact O-N 3.5Å
77S43.2Very low42.3Very low107 Ų107131.7 Ų131.775%0.74874%0.743SS**  trans-62.9115.8165.156.80000107.4D79S77-D79 PolarHBondContact O-N 3.35Å; S77-D79 VanDerWaalsContact O-N 3.17Å
78M47.1Very low43.1Very low151 Ų151132.3 Ų132.374%0.74474%0.74SS**  trans-59.9121.6175.3-121.267.293.700108.8Q76 I80Q76-M78 PolarHBondContact O-N 3.5Å; M78-I80 PolarHBondContact O-N 3.46Å; M78-I80 VanDerWaalsContact O-N 3.15Å
79D49Very low44.1Very low140 Ų140136.9 Ų136.975%0.74975%0.746SS**  trans-61.9116.6171.3-86.6-33.3000108S77 T81S77-D79 PolarHBondContact O-N 3.35Å; S77-D79 VanDerWaalsContact O-N 3.17Å; D79-T81 VanDerWaalsContact C-N 3.27Å; D79-T81 PolarHBondContact O-N 3.36Å
80I48.8Very low45.2Very low108 Ų108143.3 Ų143.355%0.55476%0.755SS**  trans-67.791.8173.3-57.7173.8000106.9V30 M78 S82V30-I80 HydrophobicContact CG2-CD1 4.32Å; M78-I80 PolarHBondContact O-N 3.46Å; M78-I80 VanDerWaalsContact O-N 3.15Å; I80-S82 VanDerWaalsContact C-N 3.27Å; I80-S82 PolarHBondContact O-N 3.17Å
81T45Very low46.4Very low117 Ų117142.5 Ų142.572%0.71875%0.745SS**  trans-74.885.8172.475.40000108.1D79 S83D79-T81 VanDerWaalsContact C-N 3.27Å; D79-T81 PolarHBondContact O-N 3.36Å; T81-S83 PolarHBondContact O-N 2.92Å
82S48.3Very low48.5Very low87 Ų87140.2 Ų140.261%0.60873%0.733SS**  trans-74.879.9170.664.90000108.6I80 W84I80-S82 VanDerWaalsContact C-N 3.27Å; I80-S82 PolarHBondContact O-N 3.17Å; S82-W84 PolarHBondContact O-N 3.21Å
83S45.6Very low50.5Low98 Ų98140.1 Ų140.169%0.68572%0.724SS**  trans-77.234.6176.259.50000113T81T81-S83 PolarHBondContact O-N 2.92Å
84W48.3Very low53Low197 Ų197139.1 Ų139.175%0.74672%0.723SS**  trans-111.3104.8175.7-67.779.9000108.9S82 F86S82-W84 PolarHBondContact O-N 3.21Å; W84-F86 HydrophobicContact CB-CD2 4.41Å; W84-F86 HydrophobicContact CB-CE2 4.49Å; W84-F86 PolarHBondContact O-N 3.5Å
85D49.9Very low54.8Low170 Ų170132.8 Ų132.891%0.90970%0.695SS**  trans-62.573.9173.2-78.6-46.6000111.4G87D85-G87 VanDerWaalsContact C-N 3.29Å; D85-G87 PolarHBondContact O-N 3.2Å
86F44.6Very low56.5Low183 Ų183133.2 Ų133.280%0.80369%0.685SS**  trans-78.990.3150.6-75-80.6000106.8W84 I88W84-F86 HydrophobicContact CB-CD2 4.41Å; W84-F86 HydrophobicContact CB-CE2 4.49Å; W84-F86 PolarHBondContact O-N 3.5Å; F86-I88 VanDerWaalsContact C-N 3.32Å; F86-I88 PolarHBondContact O-N 2.91Å
87G48.4Very low58.7Low68 Ų68136 Ų13670%0.70169%0.69SS**SBendtrans-56.292.1176.100000111.3D85D85-G87 VanDerWaalsContact C-N 3.29Å; D85-G87 PolarHBondContact O-N 3.2Å
88I48.6Very low60.9Low149 Ų149136.1 Ų136.176%0.76468%0.682SS**  trans176.292.4146.8-75132.9000103.7F86 R90F86-I88 VanDerWaalsContact C-N 3.32Å; F86-I88 PolarHBondContact O-N 2.91Å; I88-R90 PolarHBondContact O-N 2.98Å
89R55.8Low62.9Low244 Ų244132.5 Ų132.592%0.92166%0.663SS**  trans-58109.9162.5-80.4-171.8-171.2-144.61.8106.6R91R89-R91 PolarHBondContact O-N 2.77Å
90R54.3Low64.7Low236 Ų236135 Ų13589%0.89166%0.662SS**  trans-53.9114.1166.5-74.5-168-176.9-140.34.3106.5I88 S92I88-R90 PolarHBondContact O-N 2.98Å; R90-S92 PolarHBondContact O-N 3.49Å
91R62.8Low66.7Low163 Ų163133.7 Ų133.762%0.61566%0.655SS**  trans-52.4136.5173.9-74.3-171.8177-176.30108.1R89 A95 Q96 E99R89-R91 PolarHBondContact O-N 2.77Å; R91-A95 HydrophobicContact CB-CB 4.4Å; R91-Q96 HydrophobicContact CB-CG 4.38Å; R91-E99 IonicContact NH1-OE2 3.1Å; R91-E99 PolarHBondContact NH1-OE2 2.81Å
92S78.6Confident68.9Low72 Ų72137.7 Ų137.750%0.50366%0.657SS.*  trans-56.2146.3178.162.60000110.1R90 T94 A95 Q96R90-S92 PolarHBondContact O-N 3.49Å; S92-T94 PolarHBondContact O-N 3.38Å; S92-T94 VanDerWaalsContact O-N 3.14Å; S92-A95 WeakPolarHBondContact O-CA 3.39Å; S92-A95 WeakPolarHBondContact O-CB 3.25Å; S92-A95 PolarHBondContact O-N 3.02Å; S92-A95 WeakPolarHBondContact OG-CB 3.48Å; S92-A95 PolarHBondContact OG-N 2.93Å; S92-Q96 PolarHBondContact O-N 2.73Å
93N80.1Confident70.7Confident127 Ų127139.7 Ų139.768%0.67966%0.655SS**Hα-helixtrans-54.7-35.7179.6-161.7-60.7000111A95 Q96 R97N93-A95 PolarHBondContact O-N 3.44Å; N93-Q96 PolarHBondContact O-N 3.38Å; N93-R97 PolarHBondContact O-N 2.75Å
94T86.1Confident72.6Confident95 Ų95139.9 Ų139.958%0.58365%0.645SS**Hα-helixtrans-59.8-42.7172.4-46.50000113.2S92 R97 L98S92-T94 PolarHBondContact O-N 3.38Å; S92-T94 VanDerWaalsContact O-N 3.14Å; T94-R97 PolarHBondContact O-N 2.92Å; T94-L98 HydrophobicContact CG2-CD1 4.29Å; T94-L98 WeakPolarHBondContact O-CG 3.45Å; T94-L98 PolarHBondContact O-N 3.17Å
95A81.6Confident74.5Confident37 Ų37138.7 Ų138.731%0.30664%0.641SS.*Hα-helixtrans-65.4-40.3178.100000111.9R91 S92 N93 L98 E99R91-A95 HydrophobicContact CB-CB 4.4Å; S92-A95 WeakPolarHBondContact O-CA 3.39Å; S92-A95 WeakPolarHBondContact O-CB 3.25Å; S92-A95 PolarHBondContact O-N 3.02Å; S92-A95 WeakPolarHBondContact OG-CB 3.48Å; S92-A95 PolarHBondContact OG-N 2.93Å; N93-A95 PolarHBondContact O-N 3.44Å; A95-L98 PolarHBondContact O-N 2.96Å; A95-E99 PolarHBondContact O-N 2.62Å
96Q80.9Confident76Confident115 Ų115136 Ų13654%0.53762%0.623SS.*Hα-helixtrans-64.3-41.4174.6-69.2-177.1-8.300111.8R91 S92 N93 E99 R100R91-Q96 HydrophobicContact CB-CG 4.38Å; S92-Q96 PolarHBondContact O-N 2.73Å; N93-Q96 PolarHBondContact O-N 3.38Å; Q96-E99 PolarHBondContact O-N 2.78Å; Q96-R100 PolarHBondContact O-N 2.99Å; Q96-R100 VanDerWaalsContact O-N 3.07Å
97R85.7Confident77.6Confident191 Ų191131.8 Ų131.872%0.72161%0.609SS**Hα-helixtrans-63.2-42.3177.4-170.6172.9-178.8171.6-0.2112.1N93 T94 R100 L101N93-R97 PolarHBondContact O-N 2.75Å; T94-R97 PolarHBondContact O-N 2.92Å; R97-R100 PolarHBondContact O-N 3.18Å; R97-L101 PolarHBondContact O-N 2.64Å
98L90.5Very high79Confident111 Ų111134.7 Ų134.758%0.58160%0.604SS**Hα-helixtrans-66.9-39.2177.6-74.9170.7000112.4T94 A95 L101 R102T94-L98 HydrophobicContact CG2-CD1 4.29Å; T94-L98 WeakPolarHBondContact O-CG 3.45Å; T94-L98 PolarHBondContact O-N 3.17Å; A95-L98 PolarHBondContact O-N 2.96Å; L98-L101 PolarHBondContact O-N 3.02Å; L98-R102 WeakPolarHBondContact O-CB 3.47Å; L98-R102 PolarHBondContact O-N 3.38Å
99E87.4Confident80.4Confident74 Ų74133.9 Ų133.935%0.34660%0.6SS.*Hα-helixtrans-63.9-42.1176.1-168-178.2155.100111.7R91 A95 Q96 R102 K103R91-E99 IonicContact NH1-OE2 3.1Å; R91-E99 PolarHBondContact NH1-OE2 2.81Å; A95-E99 PolarHBondContact O-N 2.62Å; Q96-E99 PolarHBondContact O-N 2.78Å; E99-R102 PolarHBondContact O-N 3.17Å; E99-K103 PolarHBondContact O-N 3.31Å; E99-K103 IonicContact OE1-NZ 3.2Å; E99-K103 PolarHBondContact OE1-NZ 3.21Å
100R88.4Confident81.6Confident193 Ų193129.6 Ų129.673%0.72859%0.588SS**Hα-helixtrans-60.3-47.8174.7-174.5177.8178179.50.4111.5Q96 R97 R102 K103 E104Q96-R100 PolarHBondContact O-N 2.99Å; Q96-R100 VanDerWaalsContact O-N 3.07Å; R97-R100 PolarHBondContact O-N 3.18Å; R100-R102 VanDerWaalsContact C-N 3.29Å; R100-R102 PolarHBondContact O-N 3.34Å; R100-K103 PolarHBondContact O-N 3Å; R100-E104 WeakPolarHBondContact O-CB 3.37Å; R100-E104 PolarHBondContact O-N 3.13Å
101L90.6Very high82.6Confident80 Ų80122.4 Ų122.442%0.41957%0.573SS.*Hα-helixtrans-61.6-38179.2-160.4105.8000112R97 L98 E104 R105R97-L101 PolarHBondContact O-N 2.64Å; L98-L101 PolarHBondContact O-N 3.02Å; L101-E104 PolarHBondContact O-N 3.23Å; L101-R105 PolarHBondContact O-N 2.89Å
102R90.2Very high83.6Confident201 Ų201123.7 Ų123.776%0.75858%0.583SS**Hα-helixtrans-64.7-46176.5-170.5-177.8176.9113.50.2111.7L98 E99 R100 E104 R105 Q106L98-R102 WeakPolarHBondContact O-CB 3.47Å; L98-R102 PolarHBondContact O-N 3.38Å; E99-R102 PolarHBondContact O-N 3.17Å; R100-R102 VanDerWaalsContact C-N 3.29Å; R100-R102 PolarHBondContact O-N 3.34Å; R102-E104 VanDerWaalsContact C-N 3.32Å; R102-E104 PolarHBondContact O-N 3.14Å; R102-R105 PolarHBondContact O-N 3.31Å; R102-Q106 PolarHBondContact O-N 3.28Å; R102-Q106 VanDerWaalsContact O-N 3.12Å
103K86.6Confident83.7Confident129 Ų129127.1 Ų127.156%0.56160%0.595SS**Hα-helixtrans-62.3-40176.2-75.2178.8-177.9165.90111.7E99 R100 Q106 N107E99-K103 PolarHBondContact O-N 3.31Å; E99-K103 IonicContact OE1-NZ 3.2Å; E99-K103 PolarHBondContact OE1-NZ 3.21Å; R100-K103 PolarHBondContact O-N 3Å; K103-Q106 PolarHBondContact O-N 3.4Å; K103-N107 PolarHBondContact O-N 3.13Å; K103-N107 VanDerWaalsContact O-N 3.13Å
104E86.3Confident83.9Confident102 Ų102126.8 Ų126.848%0.47760%0.598SS.*Hα-helixtrans-64.9-46.3178.5-170.6171.1-171.700112.4R100 L101 R102 Q106 N107 Q108R100-E104 WeakPolarHBondContact O-CB 3.37Å; R100-E104 PolarHBondContact O-N 3.13Å; L101-E104 PolarHBondContact O-N 3.23Å; R102-E104 VanDerWaalsContact C-N 3.32Å; R102-E104 PolarHBondContact O-N 3.14Å; E104-Q106 VanDerWaalsContact C-N 3.32Å; E104-Q106 PolarHBondContact O-N 3.3Å; E104-N107 PolarHBondContact O-N 2.77Å; E104-Q108 PolarHBondContact O-N 3.07Å
105R86.3Confident83.9Confident173 Ų173129.7 Ų129.765%0.65361%0.605SS**Hα-helixtrans-58.8-42.1173.8-78-172.3-179.6-171.31112.3L101 R102 N107 Q108 I109L101-R105 PolarHBondContact O-N 2.89Å; R102-R105 PolarHBondContact O-N 3.31Å; R105-N107 VanDerWaalsContact C-N 3.29Å; R105-N107 PolarHBondContact O-N 2.94Å; R105-Q108 PolarHBondContact O-N 3.47Å; R105-I109 WeakPolarHBondContact O-CG1 3.29Å; R105-I109 PolarHBondContact O-N 2.72Å
106Q83Confident84.2Confident113 Ų113139.3 Ų139.353%0.52863%0.633SS.*Hα-helixtrans-63.4-36.1179-168.665.722.100112.4R102 K103 E104R102-Q106 PolarHBondContact O-N 3.28Å; R102-Q106 VanDerWaalsContact O-N 3.12Å; K103-Q106 PolarHBondContact O-N 3.4Å; E104-Q106 VanDerWaalsContact C-N 3.32Å; E104-Q106 PolarHBondContact O-N 3.3Å
107N77Confident84.4Confident95 Ų95141.9 Ų141.951%0.50864%0.643SS.*Hα-helixtrans-74.6-36.3176.9-77.3-10.4000112.4K103 E104 R105 I109 K110K103-N107 PolarHBondContact O-N 3.13Å; K103-N107 VanDerWaalsContact O-N 3.13Å; E104-N107 PolarHBondContact O-N 2.77Å; R105-N107 VanDerWaalsContact C-N 3.29Å; R105-N107 PolarHBondContact O-N 2.94Å; N107-I109 VanDerWaalsContact C-N 3.26Å; N107-I109 PolarHBondContact O-N 2.68Å; N107-K110 PolarHBondContact O-N 2.96Å
108Q77.3Confident84.1Confident129 Ų129141.1 Ų141.160%0.60365%0.647SS**Hα-helixtrans-61.6-33175.9-76.7-178.710.900112.9E104 R105 K110 C111E104-Q108 PolarHBondContact O-N 3.07Å; R105-Q108 PolarHBondContact O-N 3.47Å; Q108-K110 PolarHBondContact O-N 3.19Å; Q108-C111 PolarHBondContact O-N 3.21Å
109I79.1Confident83.3Confident132 Ų132143.5 Ų143.568%0.67765%0.648SS**THydrogen-bonded Turntrans-66.4-25.2178.5-64.5163.1000112.3R105 N107R105-I109 WeakPolarHBondContact O-CG1 3.29Å; R105-I109 PolarHBondContact O-N 2.72Å; N107-I109 VanDerWaalsContact C-N 3.26Å; N107-I109 PolarHBondContact O-N 2.68Å
110K81.6Confident82.2Confident154 Ų154147.1 Ų147.167%0.6768%0.676SS**THydrogen-bonded Turntrans-78.9-18.4-178.1-63.6176.9-178.1174.60113.6N107 Q108N107-K110 PolarHBondContact O-N 2.96Å; Q108-K110 PolarHBondContact O-N 3.19Å
111C75.5Confident81.2Confident85 Ų85140.8 Ų140.857%0.57466%0.661SS**SBendtrans-109.4121.5-176.7-640000109.9Q108 N113Q108-C111 PolarHBondContact O-N 3.21Å; C111-N113 PolarHBondContact O-N 3.33Å
112K81.9Confident79.9Confident189 Ų189143 Ų14382%0.82268%0.683SS**  trans-88.6106173-171.7178.1-179.1-179.80109.5V114K112-V114 HydrophobicContact CD-CG2 4.47Å; K112-V114 HydrophobicContact CG-CG2 4.32Å; K112-V114 PolarHBondContact O-N 3.47Å
113N81.7Confident78.7Confident144 Ų144138.5 Ų138.577%0.7767%0.671SS**  trans-78.5104.8171.8-67.36.6000108.9C111 Q115C111-N113 PolarHBondContact O-N 3.33Å; N113-Q115 PolarHBondContact O-N 3.08Å
114V85.4Confident77.9Confident121 Ų121134.8 Ų134.873%0.73366%0.661SS**  trans-83.5103.5174.6-177.50000108.2K112 W116K112-V114 HydrophobicContact CD-CG2 4.47Å; K112-V114 HydrophobicContact CG-CG2 4.32Å; K112-V114 PolarHBondContact O-N 3.47Å; V114-W116 PolarHBondContact O-N 2.94Å
115Q85.6Confident77Confident155 Ų155134 Ų13472%0.72467%0.672SS**  trans-71.9126.7173.1-68.8-179.6-4.400109.5N113 K117N113-Q115 PolarHBondContact O-N 3.08Å; Q115-K117 PolarHBondContact O-N 2.85Å
116W86.3Confident76.2Confident239 Ų239134 Ų13491%0.90568%0.68SS**  trans-69.5118.4169.7-170.8-99.4000108.8V114V114-W116 PolarHBondContact O-N 2.94Å
117K85.3Confident75.6Confident170 Ų170133 Ų13374%0.73968%0.678SS**  trans-106.1129.5174.4-67.3-175178.7-176.80108.4Q115Q115-K117 PolarHBondContact O-N 2.85Å
118E79.9Confident75.2Confident174 Ų174130.9 Ų130.981%0.81367%0.666SS**  trans-61.1141.5169.6-79.4179.9167.500110.2T120E118-T120 PolarHBondContact O-N 3.23Å
119R73.8Confident75.1Confident161 Ų161126.8 Ų126.861%0.60866%0.659SS**  trans-74.1123.6-169.4-169.6-175.2-68-162.6-3.2110.1S121R119-S121 WeakPolarHBondContact CD-O 2.91Å; R119-S121 VanDerWaalsContact CG-O 3.3Å; R119-S121 WeakPolarHBondContact CG-O 3.42Å
120T64Low75Confident151 Ų151124.5 Ų124.593%0.92665%0.654SS**  trans-90.4-10.2176.948.40000114.2E118E118-T120 PolarHBondContact O-N 3.23Å
121S67.3Low74.7Confident59 Ų59123 Ų12341%0.41365%0.653SS.*SBendtrans-112.8123.6176.255.40000112.2R119 H123R119-S121 WeakPolarHBondContact CD-O 2.91Å; R119-S121 VanDerWaalsContact CG-O 3.3Å; R119-S121 WeakPolarHBondContact CG-O 3.42Å; S121-H123 PolarHBondContact O-N 2.91Å; S121-H123 VanDerWaalsContact O-N 3.11Å; S121-H123 PolarHBondContact OG-CD2 3.41Å; S121-H123 PolarHBondContact OG-NE2 3.39Å
122S63.8Low74.9Confident127 Ų127127.3 Ų127.389%0.88866%0.663SS**  trans-77.987.2171.951.90000110.2
123H65.4Low74.7Confident106 Ų106126.1 Ų126.149%0.49166%0.66SS.*  trans-74.7144.5166.2-67.3-74.4000110.2S121 L128S121-H123 PolarHBondContact O-N 2.91Å; S121-H123 VanDerWaalsContact O-N 3.11Å; S121-H123 PolarHBondContact OG-CD2 3.41Å; S121-H123 PolarHBondContact OG-NE2 3.39Å; H123-L128 HydrophobicContact CB-CD1 4.43Å; H123-L128 HydrophobicContact CB-CD2 4.37Å; H123-L128 HydrophobicContact CB-CG 4.27Å
124S69.8Low74.4Confident51 Ų51127.5 Ų127.536%0.35766%0.659SS.*  trans-63.6149.6176.680.10000110.7E126 D127 L128S124-E126 PolarHBondContact O-N 2.89Å; S124-D127 PolarHBondContact O-N 3.38Å; S124-D127 PolarHBondContact OG-N 2.94Å; S124-D127 PolarHBondContact OG-OD2 3.1Å; S124-L128 PolarHBondContact O-N 3.32Å
125A66.8Low74Confident87 Ų87130.8 Ų130.872%0.71966%0.658SS**Hα-helixtrans-63.8-27.2179.100000112.5G129A125-G129 PolarHBondContact O-N 2.85Å
126E70.4Confident73.4Confident172 Ų172128.8 Ų128.880%0.80465%0.652SS**Hα-helixtrans-70.9-43.2179.5-65.6168.8-175.600111.3S124 L128 G129 S130S124-E126 PolarHBondContact O-N 2.89Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 2.83Å; E126-G129 PolarHBondContact O-N 3.27Å; E126-S130 PolarHBondContact O-N 3.23Å
127D70.6Confident72.6Confident91 Ų91125.3 Ų125.349%0.48764%0.64SS.*Hα-helixtrans-63.9-39176.6-67.5-41.1000112S124 S130S124-D127 PolarHBondContact O-N 3.38Å; S124-D127 PolarHBondContact OG-N 2.94Å; S124-D127 PolarHBondContact OG-OD2 3.1Å; D127-S130 PolarHBondContact O-N 3.04Å; D127-S130 PolarHBondContact O-OG 2.8Å
128L68.2Low72Confident51 Ų51125.5 Ų125.527%0.26764%0.641SS.*Hα-helixtrans-70.4-31.6179-66.7167.9000113H123 S124 E126 S130 L131H123-L128 HydrophobicContact CB-CD1 4.43Å; H123-L128 HydrophobicContact CB-CD2 4.37Å; H123-L128 HydrophobicContact CB-CG 4.27Å; S124-L128 PolarHBondContact O-N 3.32Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 2.83Å; L128-S130 VanDerWaalsContact C-N 3.29Å; L128-S130 PolarHBondContact O-N 3.11Å; L128-L131 PolarHBondContact O-N 2.86Å
129G74.9Confident71Confident43 Ų43124.6 Ų124.644%0.44364%0.642SS.*Hα-helixtrans-64.6-33.7176.100000112.7A125 E126 E133A125-G129 PolarHBondContact O-N 2.85Å; E126-G129 PolarHBondContact O-N 3.27Å; G129-E133 PolarHBondContact O-N 3.36Å
130S76.7Confident70.6Confident84 Ų84127 Ų12759%0.58765%0.651SS**Hα-helixtrans-71.8-31.5177.675.60000113.6E126 D127 L128E126-S130 PolarHBondContact O-N 3.23Å; D127-S130 PolarHBondContact O-N 3.04Å; D127-S130 PolarHBondContact O-OG 2.8Å; L128-S130 VanDerWaalsContact C-N 3.29Å; L128-S130 PolarHBondContact O-N 3.11Å
131L76.1Confident70.6Confident124 Ų124124.8 Ų124.865%0.64964%0.639SS**Hα-helixtrans-73.7-25.4-179.1-80.4153000113.3L128L128-L131 PolarHBondContact O-N 2.86Å
132F78.3Confident70.2Confident175 Ų175134 Ų13477%0.76867%0.665SS**THydrogen-bonded Turntrans-133.348.2-177.2-61.9-79.6000111.4K134F132-K134 PolarHBondContact O-N 2.93Å
133E79.2Confident70.2Confident164 Ų164133.5 Ų133.577%0.76666%0.657SS**  trans-60.4127.3-178-164.9179.1-173.200111.3G129 R135G129-E133 PolarHBondContact O-N 3.36Å; E133-R135 PolarHBondContact O-N 2.86Å; E133-R135 VanDerWaalsContact O-N 3.09Å
134K75.6Confident70.1Confident173 Ų173133.4 Ų133.475%0.75267%0.674SS**  trans-72.3104.9179.7-173.7-178.3178.2-175.40108.9F132 D136F132-K134 PolarHBondContact O-N 2.93Å; K134-D136 PolarHBondContact O-N 2.79Å; K134-D136 VanDerWaalsContact O-N 3.15Å
135R76.4Confident69.8Low189 Ų189134.1 Ų134.171%0.71369%0.689SS**  trans-64.8114.4169-76.6-170.8-169.41773.7110.1E133 Y137E133-R135 PolarHBondContact O-N 2.86Å; E133-R135 VanDerWaalsContact O-N 3.09Å; R135-Y137 HydrophobicContact CB-CD2 4.29Å; R135-Y137 HydrophobicContact CB-CE1 4.45Å; R135-Y137 HydrophobicContact CB-CE2 3.7Å; R135-Y137 VanDerWaalsContact O-CD2 3.27Å; R135-Y137 WeakPolarHBondContact O-CD2 3.25Å; R135-Y137 WeakPolarHBondContact O-CE2 3.3Å; R135-Y137 PolarHBondContact O-N 2.82Å
136D73.6Confident70.1Confident113 Ų113136.6 Ų136.660%0.60470%0.695SS**  trans-82.8110167.3-95.2-36.1000109.7K134 K138K134-D136 PolarHBondContact O-N 2.79Å; K134-D136 VanDerWaalsContact O-N 3.15Å; D136-K138 PolarHBondContact O-N 2.92Å
137Y68.5Low70.3Confident167 Ų167133.6 Ų133.666%0.65568%0.679SS**G310 helixtrans-84.917-178-67-84.3000113.8R135 D139R135-Y137 HydrophobicContact CB-CD2 4.29Å; R135-Y137 HydrophobicContact CB-CE1 4.45Å; R135-Y137 HydrophobicContact CB-CE2 3.7Å; R135-Y137 VanDerWaalsContact O-CD2 3.27Å; R135-Y137 WeakPolarHBondContact O-CD2 3.25Å; R135-Y137 WeakPolarHBondContact O-CE2 3.3Å; R135-Y137 PolarHBondContact O-N 2.82Å; Y137-D139 VanDerWaalsContact C-N 3.31Å; Y137-D139 PolarHBondContact O-N 2.82Å
138K72.8Confident71Confident173 Ų173132.1 Ų132.175%0.75268%0.676SS**G310 helixtrans-71.5-22.2-170.9-68.9-175.7-179.5175.90114.1D136D136-K138 PolarHBondContact O-N 2.92Å
139D59.5Low71.6Confident155 Ų155135 Ų13583%0.82970%0.696SS**G310 helixtrans-108.314.3-172.2-64.8-28.3000114.7Y137 P141Y137-D139 VanDerWaalsContact C-N 3.31Å; Y137-D139 PolarHBondContact O-N 2.82Å; D139-P141 WeakPolarHBondContact O-CD 3.26Å
140R63.9Low71.9Confident212 Ų212138.6 Ų138.680%0.871%0.705SS**  trans-72116.6175-156.4177.7-169.6-161.91.9108.8R142R140-R142 PolarHBondContact O-N 2.96Å; R140-R142 VanDerWaalsContact O-N 3.16Å
141P63.9Low72.2Confident104 Ų104136.9 Ų136.968%0.67569%0.692SS**  trans-58.1125.5176.822.4-31.2000108.4D139 T143D139-P141 WeakPolarHBondContact O-CD 3.26Å; P141-T143 PolarHBondContact O-N 3.21Å
142R60.8Low72.5Confident254 Ų254134.5 Ų134.596%0.95868%0.68SS**  trans-66.883.7175.2-73-177.8-179.2-173.10.4108.3R140 A144R140-R142 PolarHBondContact O-N 2.96Å; R140-R142 VanDerWaalsContact O-N 3.16Å; R142-A144 PolarHBondContact O-N 3.15Å
143T63.3Low72.5Confident116 Ų116134.2 Ų134.271%0.71267%0.674SS**  trans-56.7125.7162.748.80000107.1P141 G145P141-T143 PolarHBondContact O-N 3.21Å; T143-G145 WeakPolarHBondContact O-CA 3.42Å; T143-G145 PolarHBondContact O-N 2.76Å
144A63.6Low72.4Confident104 Ų104131 Ų13186%0.8666%0.661SS**  trans-46.3110.4174.900000108.5R142 V146R142-A144 PolarHBondContact O-N 3.15Å; A144-V146 PolarHBondContact O-N 3.21Å
145G62.3Low72.5Confident65 Ų65128 Ų12867%0.6765%0.65SS**PPolyproline II helixtrans-67.5132.6-15600000112.1T143 K147T143-G145 WeakPolarHBondContact O-CA 3.42Å; T143-G145 PolarHBondContact O-N 2.76Å; G145-K147 PolarHBondContact O-N 3.07Å
146V73.1Confident72.4Confident139 Ų139125.3 Ų125.384%0.84265%0.645SS**PPolyproline II helixtrans-49.6128.3155.8-179.40000106.8A144 S148A144-V146 PolarHBondContact O-N 3.21Å; V146-S148 PolarHBondContact O-N 3.23Å
147K75.9Confident71.8Confident110 Ų110122.7 Ų122.748%0.47864%0.635SS.*PPolyproline II helixtrans-46.7134.3178.6-68.2-173.5-173.5-173.90109G145 L152 E155G145-K147 PolarHBondContact O-N 3.07Å; K147-L152 HydrophobicContact CB-CD2 4.07Å; K147-L152 HydrophobicContact CB-CG 3.99Å; K147-L152 HydrophobicContact CD-CD2 4.2Å; K147-E155 WeakPolarHBondContact CD-OE1 3.49Å; K147-E155 WeakPolarHBondContact CE-OE1 3.47Å; K147-E155 IonicContact NZ-OE1 3.92Å; K147-E155 PolarHBondContact NZ-OE1 3.07Å; K147-E155 IonicContact NZ-OE2 3.48Å; K147-E155 PolarHBondContact NZ-OE2 3.06Å
148S84.1Confident71.5Confident59 Ų59119 Ų11941%0.41363%0.631SS.*PPolyproline II helixtrans-56149.5178.778.50000109.8V146 L150 S151 L152V146-S148 PolarHBondContact O-N 3.23Å; S148-L150 PolarHBondContact O-N 3.38Å; S148-L150 VanDerWaalsContact O-N 3.09Å; S148-S151 WeakPolarHBondContact O-CA 3.32Å; S148-S151 WeakPolarHBondContact O-CB 3.46Å; S148-S151 PolarHBondContact O-N 3.4Å; S148-S151 WeakPolarHBondContact OG-CB 3.21Å; S148-S151 PolarHBondContact OG-N 2.97Å; S148-S151 PolarHBondContact OG-OG 3.05Å; S148-L152 PolarHBondContact O-N 3.25Å
149T81.6Confident70.8Confident112 Ų112117.5 Ų117.569%0.68763%0.627SS**Hα-helixtrans-55.8-30.9177.4-31.80000111.3R153T149-R153 VanDerWaalsContact O-CG 3.25Å; T149-R153 WeakPolarHBondContact O-CG 3.3Å; T149-R153 PolarHBondContact O-N 3.01Å; T149-R153 VanDerWaalsContact O-N 3.12Å
150L81.5Confident70.8Confident119 Ų119114.1 Ų114.162%0.62361%0.606SS**Hα-helixtrans-65.4-48.2172178.864.8000111.9S148 L152 R153 L154S148-L150 PolarHBondContact O-N 3.38Å; S148-L150 VanDerWaalsContact O-N 3.09Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.12Å; L150-R153 PolarHBondContact O-N 3.37Å; L150-R153 VanDerWaalsContact O-N 3.11Å; L150-L154 HydrophobicContact CD1-CD1 4.37Å; L150-L154 HydrophobicContact CD1-CG 4.4Å; L150-L154 HydrophobicContact CG-CD1 4.11Å; L150-L154 WeakPolarHBondContact O-CG 3.45Å; L150-L154 PolarHBondContact O-N 3.34Å
151S82.2Confident70.7Confident47 Ų47110.3 Ų110.333%0.32960%0.601SS.*Hα-helixtrans-59.2-42177.4-54.60000111.7S148 R153 L154 E155S148-S151 WeakPolarHBondContact O-CA 3.32Å; S148-S151 WeakPolarHBondContact O-CB 3.46Å; S148-S151 PolarHBondContact O-N 3.4Å; S148-S151 WeakPolarHBondContact OG-CB 3.21Å; S148-S151 PolarHBondContact OG-N 2.97Å; S148-S151 PolarHBondContact OG-OG 3.05Å; S151-R153 VanDerWaalsContact C-N 3.33Å; S151-R153 PolarHBondContact O-N 3.45Å; S151-L154 PolarHBondContact O-N 3.48Å; S151-E155 WeakPolarHBondContact O-CG 3.44Å; S151-E155 PolarHBondContact O-N 3.24Å; S151-E155 VanDerWaalsContact O-N 3.13Å
152L82.4Confident70.8Confident74 Ų74112.4 Ų112.439%0.38761%0.607SS.*Hα-helixtrans-63.1-37.6175.1-71.1171.4000112.5K147 S148 L150 Q156K147-L152 HydrophobicContact CB-CD2 4.07Å; K147-L152 HydrophobicContact CB-CG 3.99Å; K147-L152 HydrophobicContact CD-CD2 4.2Å; S148-L152 PolarHBondContact O-N 3.25Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.12Å; L152-Q156 WeakPolarHBondContact O-CG 3.28Å; L152-Q156 PolarHBondContact O-N 3.48Å
153R78.1Confident71.6Confident169 Ų169101 Ų10164%0.63857%0.565SS**Hα-helixtrans-72.4-36.8177.9-72-67.1-175.8121.9-0.9113T149 L150 S151 E155 Q156 C157T149-R153 VanDerWaalsContact O-CG 3.25Å; T149-R153 WeakPolarHBondContact O-CG 3.3Å; T149-R153 PolarHBondContact O-N 3.01Å; T149-R153 VanDerWaalsContact O-N 3.12Å; L150-R153 PolarHBondContact O-N 3.37Å; L150-R153 VanDerWaalsContact O-N 3.11Å; S151-R153 VanDerWaalsContact C-N 3.33Å; S151-R153 PolarHBondContact O-N 3.45Å; R153-E155 VanDerWaalsContact C-N 3.34Å; R153-Q156 PolarHBondContact O-N 3.3Å; R153-C157 PolarHBondContact O-N 3.38Å
154L77.4Confident72.4Confident96 Ų9699.1 Ų99.150%0.50356%0.555SS.*Hα-helixtrans-65.6-37.8175.8-70.9170.6000111.8L150 S151 Q156 C157L150-L154 HydrophobicContact CD1-CD1 4.37Å; L150-L154 HydrophobicContact CD1-CG 4.4Å; L150-L154 HydrophobicContact CG-CD1 4.11Å; L150-L154 WeakPolarHBondContact O-CG 3.45Å; L150-L154 PolarHBondContact O-N 3.34Å; S151-L154 PolarHBondContact O-N 3.48Å; L154-Q156 VanDerWaalsContact C-N 3.26Å; L154-Q156 PolarHBondContact O-N 2.97Å; L154-C157 PolarHBondContact O-N 2.78Å
155E78.2Confident73.4Confident110 Ų11094.3 Ų94.351%0.51451%0.514SS..Hα-helixtrans-66.4-26.4175.4-73.5175.2-172.600113.2K147 S151 R153K147-E155 WeakPolarHBondContact CD-OE1 3.49Å; K147-E155 WeakPolarHBondContact CE-OE1 3.47Å; K147-E155 IonicContact NZ-OE1 3.92Å; K147-E155 PolarHBondContact NZ-OE1 3.07Å; K147-E155 IonicContact NZ-OE2 3.48Å; K147-E155 PolarHBondContact NZ-OE2 3.06Å; S151-E155 WeakPolarHBondContact O-CG 3.44Å; S151-E155 PolarHBondContact O-N 3.24Å; S151-E155 VanDerWaalsContact O-N 3.13Å; R153-E155 VanDerWaalsContact C-N 3.34Å
156Q73.1Confident74.5Confident134 Ų13494.5 Ų94.563%0.62650%0.5SS*.Hα-helixtrans-81.1-20.7179.4-74.3173.3-800113.8L152 R153 L154 P158L152-Q156 WeakPolarHBondContact O-CG 3.28Å; L152-Q156 PolarHBondContact O-N 3.48Å; R153-Q156 PolarHBondContact O-N 3.3Å; L154-Q156 VanDerWaalsContact C-N 3.26Å; L154-Q156 PolarHBondContact O-N 2.97Å; Q156-P158 VanDerWaalsContact C-CD 3.48Å
157C62.1Low75.2Confident57 Ų5793.2 Ų93.239%0.38549%0.485SS..  trans-130.355.9-175.6-65.40000113.7R153 L154 Q159 Q160R153-C157 PolarHBondContact O-N 3.38Å; L154-C157 PolarHBondContact O-N 2.78Å; C157-Q159 PolarHBondContact O-N 2.99Å; C157-Q160 HydrophobicContact CB-CB 4.38Å; C157-Q160 HydrophobicContact CB-CG 4.29Å; C157-Q160 PolarHBondContact O-N 3.1Å
158P62.3Low75.8Confident89 Ų8989 Ų8958%0.57847%0.466SS*.G310 helixtrans-64-26.6-177.925.8-33.6000113.2Q156Q156-P158 VanDerWaalsContact C-CD 3.48Å
159Q57.9Low76Confident142 Ų14288.2 Ų88.266%0.66446%0.46SS*.G310 helixtrans-80.6-19.1-176.6-70.2169.4-20.300114C157 L161 N162C157-Q159 PolarHBondContact O-N 2.99Å; Q159-L161 PolarHBondContact O-N 3.09Å; Q159-N162 PolarHBondContact O-N 3.42Å
160Q59.9Low76.3Confident84 Ų8489.1 Ų89.139%0.39346%0.455SS..G310 helixtrans-64.4-28.6177.8-89.1-177.8-41.100112.8C157C157-Q160 HydrophobicContact CB-CB 4.38Å; C157-Q160 HydrophobicContact CB-CG 4.29Å; C157-Q160 PolarHBondContact O-N 3.1Å
161L59.9Low76.6Confident132 Ų13285.4 Ų85.469%0.69143%0.434SS*.G310 helixtrans-79.4-21.1-178.2-66.5172.7000113.3Q159Q159-L161 PolarHBondContact O-N 3.09Å
162N67.3Low76.9Confident149 Ų14984.8 Ų84.880%0.79743%0.427SS*.G310 helixtrans-108.227.5-174.6-152.920.8000112.7Q159Q159-N162 PolarHBondContact O-N 3.42Å
163N77.2Confident77Confident13 Ų1381.2 Ų81.27%0.0741%0.408CS..  trans-89124.4-178.5-169.4-27000110.6F165 N166 W220 T223N163-F165 PolarHBondContact O-N 3.18Å; N163-F165 VanDerWaalsContact O-N 3.14Å; N163-F165 WeakPolarHBondContact OD1-CD2 3.49Å; N163-F165 PolarHBondContact OD1-N 2.9Å; N163-N166 WeakPolarHBondContact O-CB 3.25Å; N163-N166 PolarHBondContact O-N 3.01Å; N163-W220 PolarHBondContact ND2-O 3.17Å; N163-T223 VanDerWaalsContact CG-OG1 3.28Å; N163-T223 PolarHBondContact ND2-OG1 3.4Å; N163-T223 PolarHBondContact OD1-OG1 2.74Å; N163-T223 VanDerWaalsContact OD1-OG1 3.13Å
164P80.5Confident77.2Confident77 Ų7777.8 Ų77.850%0.540%0.398SS..THydrogen-bonded Turntrans-55-30.3175.8-25.434.1000113.7N166 E233P164-N166 PolarHBondContact O-N 2.96Å; P164-E233 HydrophobicContact CB-CG 4.37Å; P164-E233 HydrophobicContact CG-CG 4.36Å
165F84.2Confident77.1Confident4 Ų476.6 Ų76.62%0.01841%0.409CS..THydrogen-bonded Turntrans-94.317.4-174.9-55.6-73.7000114.2N163 E167 Y168 C219 W220 T223 S232 E233 V235N163-F165 PolarHBondContact O-N 3.18Å; N163-F165 VanDerWaalsContact O-N 3.14Å; N163-F165 WeakPolarHBondContact OD1-CD2 3.49Å; N163-F165 PolarHBondContact OD1-N 2.9Å; F165-E167 PolarHBondContact O-N 2.87Å; F165-E167 VanDerWaalsContact O-N 3.07Å; F165-Y168 HydrophobicContact CB-CD2 4.09Å; F165-Y168 HydrophobicContact CD1-CD2 4.37Å; F165-Y168 HydrophobicContact CD1-CE2 4.33Å; F165-Y168 WeakPolarHBondContact O-CD2 3.35Å; F165-Y168 PolarHBondContact O-N 3.17Å; F165-C219 HydrophobicContact CD1-CB 3.9Å; F165-C219 HydrophobicContact CD2-CB 3.78Å; F165-C219 HydrophobicContact CE1-CB 3.91Å; F165-C219 HydrophobicContact CE2-CB 3.8Å; F165-C219 HydrophobicContact CG-CB 3.82Å; F165-C219 HydrophobicContact CZ-CB 3.86Å; F165-W220 HydrophobicContact CB-CB 3.71Å; F165-T223 HydrophobicContact CD2-CG2 4.15Å; F165-T223 HydrophobicContact CE2-CG2 4.07Å; F165-S232 WeakPolarHBondContact CZ-O 3.28Å; F165-E233 VanDerWaalsContact CE1-O 3.23Å; F165-E233 WeakPolarHBondContact CE1-O 3.23Å; F165-V235 HydrophobicContact CD1-CG2 3.75Å; F165-V235 HydrophobicContact CE1-CG2 3.64Å
166N85.6Confident76.9Confident68 Ų6875.1 Ų75.136%0.36440%0.402SS..G310 helixtrans-60.3-25.3-172.5-161.619.5000113.5N163 P164 Y168 S169N163-N166 WeakPolarHBondContact O-CB 3.25Å; N163-N166 PolarHBondContact O-N 3.01Å; P164-N166 PolarHBondContact O-N 2.96Å; N166-Y168 PolarHBondContact O-N 3.43Å; N166-S169 WeakPolarHBondContact O-CB 3.5Å; N166-S169 PolarHBondContact O-N 3.21Å; N166-S169 PolarHBondContact O-OG 2.99Å
167E87.5Confident76.8Confident113 Ų11374.6 Ų74.653%0.52840%0.402SS..G310 helixtrans-61.3-22.7176.667.4174.8176.600114.6F165 K170F165-E167 PolarHBondContact O-N 2.87Å; F165-E167 VanDerWaalsContact O-N 3.07Å; E167-K170 VanDerWaalsContact O-CD 3.28Å; E167-K170 WeakPolarHBondContact O-CD 3.16Å; E167-K170 WeakPolarHBondContact O-CE 3.28Å; E167-K170 WeakPolarHBondContact O-CG 3.45Å; E167-K170 PolarHBondContact O-NZ 2.83Å
168Y89Confident77Confident22 Ų2275.7 Ų75.79%0.08642%0.423CS..G310 helixtrans-89.8-13.9-178.8-60.1-78.6000113.2F165 N166 K170 F171 H212 G216 L217 V235F165-Y168 HydrophobicContact CB-CD2 4.09Å; F165-Y168 HydrophobicContact CD1-CD2 4.37Å; F165-Y168 HydrophobicContact CD1-CE2 4.33Å; F165-Y168 WeakPolarHBondContact O-CD2 3.35Å; F165-Y168 PolarHBondContact O-N 3.17Å; N166-Y168 PolarHBondContact O-N 3.43Å; Y168-K170 PolarHBondContact O-N 2.92Å; Y168-K170 VanDerWaalsContact O-N 3.1Å; Y168-F171 HydrophobicContact CD1-CD2 4.37Å; Y168-F171 HydrophobicContact CD1-CE2 4.29Å; Y168-F171 WeakPolarHBondContact O-CD2 3.47Å; Y168-F171 PolarHBondContact O-N 2.97Å; Y168-H212 PolarHBondContact OH-CE1 3.45Å; Y168-G216 VanDerWaalsContact CB-C 3.45Å; Y168-L217 WeakPolarHBondContact O-CD1 3.41Å; Y168-V235 HydrophobicContact CE2-CG2 3.68Å
169S87.9Confident77.6Confident41 Ų4177.4 Ų77.429%0.28743%0.432SS..G310 helixtrans-56.4-27.9177.666.30000113.6N166 F171 D172N166-S169 WeakPolarHBondContact O-CB 3.5Å; N166-S169 PolarHBondContact O-N 3.21Å; N166-S169 PolarHBondContact O-OG 2.99Å; S169-F171 PolarHBondContact O-N 3.09Å; S169-F171 VanDerWaalsContact O-N 3.11Å; S169-D172 VanDerWaalsContact O-CB 3.3Å; S169-D172 WeakPolarHBondContact O-CB 3.45Å; S169-D172 PolarHBondContact O-N 2.65Å
170K87.4Confident78.5Confident131 Ų13173.9 Ų73.957%0.5742%0.42SS*.G310 helixtrans-61.3-18.3176.470.6-166.6176.2-147.70114E167 Y168E167-K170 VanDerWaalsContact O-CD 3.28Å; E167-K170 WeakPolarHBondContact O-CD 3.16Å; E167-K170 WeakPolarHBondContact O-CE 3.28Å; E167-K170 WeakPolarHBondContact O-CG 3.45Å; E167-K170 PolarHBondContact O-NZ 2.83Å; Y168-K170 PolarHBondContact O-N 2.92Å; Y168-K170 VanDerWaalsContact O-N 3.1Å
171F88.6Confident79.6Confident41 Ų4173.1 Ų73.118%0.1843%0.428CS..G310 helixtrans-93.41.8178.5-57.6-67.6000113.2Y168 S169 G173 I206 A209 D213Y168-F171 HydrophobicContact CD1-CD2 4.37Å; Y168-F171 HydrophobicContact CD1-CE2 4.29Å; Y168-F171 WeakPolarHBondContact O-CD2 3.47Å; Y168-F171 PolarHBondContact O-N 2.97Å; S169-F171 PolarHBondContact O-N 3.09Å; S169-F171 VanDerWaalsContact O-N 3.11Å; F171-G173 PolarHBondContact O-N 3.44Å; F171-I206 PolarHBondContact O-N 2.77Å; F171-A209 HydrophobicContact CD1-CB 4.19Å; F171-D213 HydrophobicContact CD2-CB 3.74Å; F171-D213 HydrophobicContact CE1-CB 4.48Å; F171-D213 HydrophobicContact CE2-CB 3.63Å; F171-D213 HydrophobicContact CG-CB 4.19Å; F171-D213 HydrophobicContact CZ-CB 4.02Å
172D87.4Confident81Confident34 Ų3469.2 Ų69.218%0.18241%0.41CS..BIsolated β-bridgetrans-65.1116.6174.3-173.13.2000110.7S169 K174 L217S169-D172 VanDerWaalsContact O-CB 3.3Å; S169-D172 WeakPolarHBondContact O-CB 3.45Å; S169-D172 PolarHBondContact O-N 2.65Å; D172-K174 VanDerWaalsContact C-N 3.34Å; D172-K174 WeakPolarHBondContact OD1-CB 3.28Å; D172-K174 VanDerWaalsContact OD1-CG 3.25Å; D172-K174 WeakPolarHBondContact OD1-CG 3.41Å; D172-K174 PolarHBondContact OD1-N 2.86Å; D172-L217 HydrophobicContact CB-CD1 4Å
173G84.6Confident81.9Confident0 Ų063.8 Ų63.80%038%0.379CS..G310 helixtrans-80.2-9179.800000114.1F171 G175 H176 V204F171-G173 PolarHBondContact O-N 3.44Å; G173-G175 PolarHBondContact O-N 3.03Å; G173-H176 PolarHBondContact O-N 2.85Å; G173-V204 PolarHBondContact N-O 3.2Å
174K83.1Confident82.6Confident96 Ų9669.3 Ų69.342%0.41740%0.403SS..G310 helixtrans-56.5-34.7-177.1-73172.3-173.1164.10113D172 I177 V204D172-K174 VanDerWaalsContact C-N 3.34Å; D172-K174 WeakPolarHBondContact OD1-CB 3.28Å; D172-K174 VanDerWaalsContact OD1-CG 3.25Å; D172-K174 WeakPolarHBondContact OD1-CG 3.41Å; D172-K174 PolarHBondContact OD1-N 2.86Å; K174-I177 WeakPolarHBondContact O-CD1 3.45Å; K174-V204 HydrophobicContact CG-CB 4Å; K174-V204 HydrophobicContact CG-CG2 4.08Å
175G75.6Confident83.1Confident72 Ų7265.6 Ų65.674%0.74238%0.379SS*.G310 helixtrans-83.5-10.2177.800000115.4G173G173-G175 PolarHBondContact O-N 3.03Å
176H74.9Confident83.3Confident79 Ų7967.3 Ų67.337%0.36639%0.388SS..  trans-110.78.8-171.4-66.9-69.6000113.9G173 G178 T179 T180 T182G173-H176 PolarHBondContact O-N 2.85Å; H176-G178 PolarHBondContact O-N 3.07Å; H176-T179 PolarHBondContact O-N 3.44Å; H176-T179 VanDerWaalsContact O-N 3.07Å; H176-T180 PolarHBondContact O-N 3.04Å; H176-T182 HydrophobicContact CB-CG2 4.26Å
177I69.8Low83.5Confident122 Ų12264.1 Ų64.163%0.62637%0.371SS*.BIsolated β-bridgetrans-59.9108.8179.9-56.5167.8000109.2K174K174-I177 WeakPolarHBondContact O-CD1 3.45Å
178G65.8Low83.5Confident80 Ų8059.7 Ų59.783%0.82535%0.349SS*.THydrogen-bonded Turntrans105.2-15.7178.900000115.7H176H176-G178 PolarHBondContact O-N 3.07Å
179T74.9Confident83Confident125 Ų12558.9 Ų58.977%0.76735%0.347SS*.THydrogen-bonded Turntrans-102.5-34.1175.5-50.40000112.2H176H176-T179 PolarHBondContact O-N 3.44Å; H176-T179 VanDerWaalsContact O-N 3.07Å
180T77.6Confident81.9Confident68 Ų6858.6 Ų58.642%0.41735%0.345SS..BIsolated β-bridgetrans-134.8151.3-178.9-54.10000110H176 T182 I206H176-T180 PolarHBondContact O-N 3.04Å; T180-T182 PolarHBondContact O-N 3.37Å; T180-I206 HydrophobicContact CG2-CG2 3.95Å
181A83.7Confident80.6Confident68 Ų6855.6 Ų55.656%0.56233%0.333SS*.  trans-61.1121.7174.600000109.4A207A181-A207 HydrophobicContact CB-CB 3.74Å; A181-A207 WeakPolarHBondContact O-CB 3.27Å; A181-A207 PolarHBondContact O-N 3.19Å
182T88.3Confident79.1Confident50 Ų5056.8 Ų56.831%0.30734%0.34SS..EExtended strand (participates in β ladder)trans-121.5152.7179.348.70000109.1H176 T180 T205H176-T182 HydrophobicContact CB-CG2 4.26Å; T180-T182 PolarHBondContact O-N 3.37Å; T182-T205 CarbonylContact C-O 3.51Å; T182-T205 VanDerWaalsContact CA-O 3.3Å; T182-T205 WeakPolarHBondContact CA-O 3.42Å
183K87.1Confident77.1Confident35 Ų3563.1 Ų63.115%0.15237%0.37CS..EExtended strand (participates in β ladder)trans-126.3127.9178.2-165.3176.5175.2-158.30109.3I185 V204 T205 I262 F265 F267K183-I185 HydrophobicContact CD-CD1 4.24Å; K183-I185 HydrophobicContact CD-CG1 4.34Å; K183-I185 HydrophobicContact CG-CD1 4.41Å; K183-I185 HydrophobicContact CG-CG1 4.12Å; K183-V204 WeakPolarHBondContact O-CA 3.48Å; K183-T205 HydrophobicContact CB-CG2 4.36Å; K183-T205 PolarHBondContact N-O 2.96Å; K183-T205 PolarHBondContact O-N 2.95Å; K183-I262 HydrophobicContact CD-CG1 4.28Å; K183-F265 PolarHBondContact NZ-O 3.06Å; K183-F267 WeakPolarHBondContact CE-O 3.16Å; K183-F267 PolarHBondContact NZ-O 2.83Å
184K90.7Very high75.4Confident129 Ų12969.6 Ų69.656%0.56141%0.41SS*.EExtended strand (participates in β ladder)trans-91.4127.1174.7-172.4-172.4-179.8-158.20108.2T202 V204K184-T202 HydrophobicContact CD-CG2 4.08Å; K184-T202 HydrophobicContact CG-CG2 3.68Å; K184-V204 HydrophobicContact CG-CG2 4.33Å
185I90.9Very high73.7Confident0 Ų073.3 Ų73.30%043%0.429CS..EExtended strand (participates in β ladder)trans-132.6129.4-177.3-58.9172.4000108.3K183 V187 T202 V203 T205 L214 I262 S268 L270K183-I185 HydrophobicContact CD-CD1 4.24Å; K183-I185 HydrophobicContact CD-CG1 4.34Å; K183-I185 HydrophobicContact CG-CD1 4.41Å; K183-I185 HydrophobicContact CG-CG1 4.12Å; I185-V187 HydrophobicContact CG2-CG2 3.89Å; I185-T202 WeakPolarHBondContact O-CA 3.22Å; I185-V203 PolarHBondContact N-O 2.88Å; I185-V203 PolarHBondContact O-N 2.91Å; I185-T205 HydrophobicContact CD1-CG2 4.07Å; I185-L214 HydrophobicContact CD1-CD2 3.78Å; I185-I262 HydrophobicContact CD1-CD1 3.45Å; I185-I262 VanDerWaalsContact CD1-CD1 3.45Å; I185-I262 HydrophobicContact CD1-CG1 3.85Å; I185-S268 CarbonylContact C-O 3.53Å; I185-S268 WeakPolarHBondContact CA-O 3.33Å; I185-S268 WeakPolarHBondContact CG2-O 3.45Å; I185-L270 HydrophobicContact CD1-CD1 4.47Å; I185-L270 HydrophobicContact CG2-CB 4.2Å; I185-L270 HydrophobicContact CG2-CD1 3.77Å; I185-L270 HydrophobicContact CG2-CG 3.89Å
186D89.9Confident72.3Confident40 Ų4079.7 Ų79.721%0.21444%0.439CS..EExtended strand (participates in β ladder)trans-94.3118.3174.5-67.9-35.1000108.2P200 T202 S268 T269 L270D186-P200 HydrophobicContact CB-CB 3.99Å; D186-P200 HydrophobicContact CB-CG 4.49Å; D186-T202 WeakPolarHBondContact OD1-CB 3.22Å; D186-T202 PolarHBondContact OD1-OG1 2.89Å; D186-S268 PolarHBondContact N-O 3.45Å; D186-T269 WeakPolarHBondContact O-CA 3.35Å; D186-L270 PolarHBondContact O-N 3.13Å
187V89.7Confident71.2Confident0 Ų083.7 Ų83.70%046%0.456CS..EExtended strand (participates in β ladder)trans-111.7118.4-171.2-176.40000110.5I185 P200 M201 V203 I218 L240 L270 L272I185-V187 HydrophobicContact CG2-CG2 3.89Å; V187-P200 WeakPolarHBondContact O-CA 3.2Å; V187-M201 PolarHBondContact N-O 3.25Å; V187-M201 PolarHBondContact O-N 3.42Å; V187-V203 HydrophobicContact CG2-CG2 4.27Å; V187-I218 HydrophobicContact CB-CD1 4.49Å; V187-I218 HydrophobicContact CG1-CD1 4.04Å; V187-I218 HydrophobicContact CG1-CG2 4.06Å; V187-I218 HydrophobicContact CG2-CD1 3.77Å; V187-I218 HydrophobicContact CG2-CG1 4.09Å; V187-L240 HydrophobicContact CG1-CD2 4.45Å; V187-L270 CarbonylContact C-O 3.58Å; V187-L270 VanDerWaalsContact CA-O 3.26Å; V187-L270 WeakPolarHBondContact CA-O 3.31Å; V187-L272 HydrophobicContact CG1-CB 4.1Å
188Y87.3Confident70.8Confident20 Ų2080.9 Ų80.98%0.07844%0.441CS..EExtended strand (participates in β ladder)trans-87.7138.5171.5-71.3-78.3000111M198 P200 A243 D245 T269 L270 A271 L272Y188-M198 HydrophobicContact CD1-CB 4Å; Y188-M198 HydrophobicContact CD1-CG 4.03Å; Y188-M198 HydrophobicContact CD1-SD 3.71Å; Y188-M198 HydrophobicContact CE1-CB 4.18Å; Y188-M198 WeakPolarHBondContact CE1-O 3.25Å; Y188-M198 HydrophobicContact CG-SD 4.25Å; Y188-P200 HydrophobicContact CD1-CB 4.06Å; Y188-P200 HydrophobicContact CD2-CB 4.3Å; Y188-P200 HydrophobicContact CE1-CB 3.7Å; Y188-P200 HydrophobicContact CE1-CG 3.92Å; Y188-P200 HydrophobicContact CE2-CB 3.99Å; Y188-P200 HydrophobicContact CE2-CG 4.45Å; Y188-P200 HydrophobicContact CG-CB 4.35Å; Y188-A243 HydrophobicContact CD2-CB 4.39Å; Y188-D245 PolarHBondContact OH-O 3.36Å; Y188-T269 HydrophobicContact CD2-CG2 3.8Å; Y188-T269 HydrophobicContact CE2-CG2 3.49Å; Y188-T269 VanDerWaalsContact CE2-CG2 3.49Å; Y188-L270 PolarHBondContact N-O 3.21Å; Y188-A271 CarbonylContact O-C 3.51Å; Y188-A271 VanDerWaalsContact O-CA 3.25Å; Y188-A271 WeakPolarHBondContact O-CA 3.43Å; Y188-L272 PolarHBondContact O-N 3.35Å
189L78.9Confident71.1Confident5 Ų583.1 Ų83.13%0.02643%0.429CS..EExtended strand (participates in β ladder)trans-104.495.1-178.1-71.5141.7000109.4M191 Q192 M198 M201 Y222 L272L189-M191 PolarHBondContact O-N 2.65Å; L189-Q192 PolarHBondContact O-N 2.82Å; L189-Q192 VanDerWaalsContact O-N 3.08Å; L189-M198 WeakPolarHBondContact O-CE 3.45Å; L189-M201 HydrophobicContact CD1-CE 4.45Å; L189-Y222 HydrophobicContact CD1-CD2 3.62Å; L189-Y222 HydrophobicContact CD1-CE2 3.71Å; L189-Y222 HydrophobicContact CD2-CD2 3.55Å; L189-Y222 HydrophobicContact CD2-CE2 3.72Å; L189-Y222 HydrophobicContact CG-CD2 4.21Å; L189-Y222 HydrophobicContact CG-CE2 4.26Å; L189-L272 HydrophobicContact CD2-CB 4.39Å; L189-L272 HydrophobicContact CD2-CD2 3.93Å
190S63.9Low71.5Confident35 Ų3579.4 Ų79.425%0.24541%0.407CS..THydrogen-bonded Turntrans-59.1-15.3-175.8-169.10000113.8Q192 L272S190-Q192 VanDerWaalsContact C-N 3.26Å; S190-Q192 PolarHBondContact O-N 2.91Å; S190-L272 PolarHBondContact N-O 3.45Å
191M60.1Low71.8Confident68 Ų6876.3 Ų76.334%0.33539%0.388SS..THydrogen-bonded Turntrans-68.7-14.5175.7-57.6-87.785.600114.5L189 M193 P229 E274L189-M191 PolarHBondContact O-N 2.65Å; M191-M193 PolarHBondContact O-N 3.06Å; M191-P229 HydrophobicContact CB-CG 4.37Å; M191-E274 HydrophobicContact CE-CB 4.04Å; M191-E274 HydrophobicContact SD-CB 3.93Å; M191-E274 VanDerWaalsContact SD-OE2 3.37Å
192Q56Low72.1Confident67 Ų6775.5 Ų75.531%0.31338%0.376SS..  trans-10068.2-178.7-79.8170.1-25.100111.8L189 S190 T194 E228L189-Q192 PolarHBondContact O-N 2.82Å; L189-Q192 VanDerWaalsContact O-N 3.08Å; S190-Q192 VanDerWaalsContact C-N 3.26Å; S190-Q192 PolarHBondContact O-N 2.91Å; Q192-T194 PolarHBondContact O-N 3.18Å; Q192-E228 PolarHBondContact NE2-O 3.17Å
193M45.5Very low72.2Confident167 Ų16773.1 Ų73.182%0.82336%0.362SS*.THydrogen-bonded Turntrans-74.16.1-178.1-83-89.1-165.700115.5M191M191-M193 PolarHBondContact O-N 3.06Å
194T49.5Very low72.3Confident136 Ų13672.4 Ų72.483%0.83436%0.36SS*.THydrogen-bonded Turntrans-127.47.4-164-27.80000116.8Q192Q192-T194 PolarHBondContact O-N 3.18Å
195Q47Very low72.3Confident174 Ų17466.3 Ų66.381%0.81333%0.334SS*.SBendtrans-128.3129.6173.9-82.7-178.5-5.700112.3K197Q195-K197 PolarHBondContact O-N 3.4Å
196E46.9Very low72.4Confident206 Ų20667.7 Ų67.796%0.96334%0.341SS*.SBendtrans-58.16.6-171.5-72.3-168144.700116.6
197K52.4Low72.1Confident163 Ų16366.5 Ų66.571%0.70934%0.336SS*.  trans-147.699.8168.5-67-170179.5-179.80110.7Q195 H199Q195-K197 PolarHBondContact O-N 3.4Å; K197-H199 PolarHBondContact O-N 2.91Å; K197-H199 VanDerWaalsContact O-N 3.09Å; K197-H199 PolarHBondContact O-ND1 3.37Å
198M59.7Low72Confident63 Ų6372.4 Ų72.431%0.3137%0.368SS..  trans-63.1107.4169.1-130.4-171.317700108.2Y188 L189Y188-M198 HydrophobicContact CD1-CB 4Å; Y188-M198 HydrophobicContact CD1-CG 4.03Å; Y188-M198 HydrophobicContact CD1-SD 3.71Å; Y188-M198 HydrophobicContact CE1-CB 4.18Å; Y188-M198 WeakPolarHBondContact CE1-O 3.25Å; Y188-M198 HydrophobicContact CG-SD 4.25Å; L189-M198 WeakPolarHBondContact O-CE 3.45Å
199H72.4Confident72.2Confident127 Ų12771.7 Ų71.759%0.58837%0.366SS*.  trans-92.6120.1174.9-73.476.8000108.7K197K197-H199 PolarHBondContact O-N 2.91Å; K197-H199 VanDerWaalsContact O-N 3.09Å; K197-H199 PolarHBondContact O-ND1 3.37Å
200P83.3Confident72.8Confident46 Ų4678 Ų7830%0.29939%0.389SS..  trans-66.5142.5179.626.3-31.3000110.4D186 V187 Y188D186-P200 HydrophobicContact CB-CB 3.99Å; D186-P200 HydrophobicContact CB-CG 4.49Å; V187-P200 WeakPolarHBondContact O-CA 3.2Å; Y188-P200 HydrophobicContact CD1-CB 4.06Å; Y188-P200 HydrophobicContact CD2-CB 4.3Å; Y188-P200 HydrophobicContact CE1-CB 3.7Å; Y188-P200 HydrophobicContact CE1-CG 3.92Å; Y188-P200 HydrophobicContact CE2-CB 3.99Å; Y188-P200 HydrophobicContact CE2-CG 4.45Å; Y188-P200 HydrophobicContact CG-CB 4.35Å
201M85.1Confident74.1Confident3 Ų376.3 Ų76.32%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-86.9112.1168.1-179.4-177.9-73.500108.8V187 L189 V203 Q221 Y222 E225V187-M201 PolarHBondContact N-O 3.25Å; V187-M201 PolarHBondContact O-N 3.42Å; L189-M201 HydrophobicContact CD1-CE 4.45Å; M201-V203 HydrophobicContact CG-CG2 4.02Å; M201-V203 PolarHBondContact O-N 3.11Å; M201-V203 HydrophobicContact SD-CG2 4.22Å; M201-Q221 HydrophobicContact CE-CG 4.43Å; M201-Q221 HydrophobicContact CG-CG 4.37Å; M201-Q221 HydrophobicContact SD-CB 3.87Å; M201-Q221 HydrophobicContact SD-CG 3.68Å; M201-Y222 HydrophobicContact CE-CD2 4.15Å; M201-E225 WeakPolarHBondContact CE-OE2 3.26Å
202T88.9Confident75.5Confident52 Ų5275.3 Ų75.332%0.31937%0.372SS..EExtended strand (participates in β ladder)trans-74.5120172.9-58.70000110.6K184 I185 D186 Q221K184-T202 HydrophobicContact CD-CG2 4.08Å; K184-T202 HydrophobicContact CG-CG2 3.68Å; I185-T202 WeakPolarHBondContact O-CA 3.22Å; D186-T202 WeakPolarHBondContact OD1-CB 3.22Å; D186-T202 PolarHBondContact OD1-OG1 2.89Å; T202-Q221 PolarHBondContact O-NE2 3.19Å; T202-Q221 VanDerWaalsContact O-NE2 3.17Å
203V90.5Very high77.3Confident0 Ų073.5 Ų73.50%036%0.364CS..EExtended strand (participates in β ladder)trans-116.5132.4175.1-176.20000109.3I185 V187 M201 L214 L217 I218I185-V203 PolarHBondContact N-O 2.88Å; I185-V203 PolarHBondContact O-N 2.91Å; V187-V203 HydrophobicContact CG2-CG2 4.27Å; M201-V203 HydrophobicContact CG-CG2 4.02Å; M201-V203 PolarHBondContact O-N 3.11Å; M201-V203 HydrophobicContact SD-CG2 4.22Å; V203-L214 HydrophobicContact CG1-CD1 4.07Å; V203-L217 HydrophobicContact CG1-CD2 3.48Å; V203-L217 VanDerWaalsContact CG1-CD2 3.48Å; V203-L217 HydrophobicContact CG1-CG 3.93Å; V203-I218 HydrophobicContact CB-CG1 4.5Å; V203-I218 HydrophobicContact CG1-CG1 4.45Å; V203-I218 HydrophobicContact CG2-CG1 4.03Å
204V90.6Very high79.5Confident20 Ų2065.5 Ų65.512%0.12133%0.325CS..EExtended strand (participates in β ladder)trans-108.8118.6175.7-174.20000107.4G173 K174 K183 K184G173-V204 PolarHBondContact N-O 3.2Å; K174-V204 HydrophobicContact CG-CB 4Å; K174-V204 HydrophobicContact CG-CG2 4.08Å; K183-V204 WeakPolarHBondContact O-CA 3.48Å; K184-V204 HydrophobicContact CG-CG2 4.33Å
205T90.7Very high81.5Confident0 Ų059.1 Ų59.10%029%0.286CS..EExtended strand (participates in β ladder)trans-117.7157.4-178.7-172.60000111.3T182 K183 I185 L214 I262T182-T205 CarbonylContact C-O 3.51Å; T182-T205 VanDerWaalsContact CA-O 3.3Å; T182-T205 WeakPolarHBondContact CA-O 3.42Å; K183-T205 HydrophobicContact CB-CG2 4.36Å; K183-T205 PolarHBondContact N-O 2.96Å; K183-T205 PolarHBondContact O-N 2.95Å; I185-T205 HydrophobicContact CD1-CG2 4.07Å; T205-L214 HydrophobicContact CG2-CD1 3.98Å; T205-I262 HydrophobicContact CG2-CD1 4.37Å; T205-I262 HydrophobicContact CG2-CG2 4.01Å
206I91.1Very high83.5Confident30 Ų3050.8 Ų50.815%0.15425%0.247CC..EExtended strand (participates in β ladder)trans-70.4134.6171.4-57.6170.9000108.8F171 T180 N208 A209F171-I206 PolarHBondContact O-N 2.77Å; T180-I206 HydrophobicContact CG2-CG2 3.95Å; I206-N208 PolarHBondContact O-N 3.15Å; I206-N208 VanDerWaalsContact O-N 3.09Å; I206-A209 VanDerWaalsContact O-CB 3.25Å; I206-A209 WeakPolarHBondContact O-CB 3.28Å; I206-A209 PolarHBondContact O-N 3.24Å
207A85.6Confident85.6Confident14 Ų1441 Ų4112%0.11620%0.201CC..THydrogen-bonded Turntrans-63.1-22.1-172.600000114.5A181 I262 H263A181-A207 HydrophobicContact CB-CB 3.74Å; A181-A207 WeakPolarHBondContact O-CB 3.27Å; A181-A207 PolarHBondContact O-N 3.19Å; A207-I262 WeakPolarHBondContact O-CG2 3.37Å; A207-H263 HydrophobicContact CB-CB 4.2Å; A207-H263 VanDerWaalsContact O-CB 3.3Å; A207-H263 WeakPolarHBondContact O-CB 3.4Å; A207-H263 PolarHBondContact O-N 3.15Å; A207-H263 PolarHBondContact O-ND1 3.18Å
208N87.5Confident87.5Confident125 Ų12533.2 Ų33.267%0.66817%0.167SC*.THydrogen-bonded Turntrans-90.1-0.9176.8-161.637000113.8I206I206-N208 PolarHBondContact O-N 3.15Å; I206-N208 VanDerWaalsContact O-N 3.09Å
209A89.6Confident88.8Confident4 Ų430.2 Ų30.23%0.03315%0.153CC..  trans-67.5148.2175.900000110.8F171 I206 D213 P261 I262F171-A209 HydrophobicContact CD1-CB 4.19Å; I206-A209 VanDerWaalsContact O-CB 3.25Å; I206-A209 WeakPolarHBondContact O-CB 3.28Å; I206-A209 PolarHBondContact O-N 3.24Å; A209-D213 HydrophobicContact CB-CB 4.39Å; A209-P261 WeakPolarHBondContact O-CA 3.36Å; A209-I262 PolarHBondContact O-N 2.94Å
210R92.1Very high89.6Confident137 Ų13725.3 Ų25.352%0.51713%0.129SC..BIsolated β-bridgetrans-77.1159.6173.6-61.7-179.1-178.5-179.80.9110.5H212 D213 L214 E260R210-H212 PolarHBondContact O-N 3.2Å; R210-D213 WeakPolarHBondContact CB-OD2 3.48Å; R210-D213 PolarHBondContact N-OD2 3.32Å; R210-D213 WeakPolarHBondContact O-CB 3.32Å; R210-D213 PolarHBondContact O-N 2.99Å; R210-D213 VanDerWaalsContact O-N 3.11Å; R210-L214 PolarHBondContact O-N 3Å; R210-E260 CarbonylContact C-O 3.48Å; R210-E260 WeakPolarHBondContact CA-O 3.28Å
211V91.2Very high89.8Confident0 Ų023.7 Ų23.70%012%0.117CC..Hα-helixtrans-58.3-39.4173.6171.90000111D213 L214 I215 L240 L256 D257 E260 F265V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 PolarHBondContact O-N 3.21Å; V211-L214 WeakPolarHBondContact O-CB 3.44Å; V211-L214 PolarHBondContact O-N 3.34Å; V211-I215 HydrophobicContact CG1-CD1 4.18Å; V211-I215 VanDerWaalsContact O-CG1 3.32Å; V211-I215 WeakPolarHBondContact O-CG1 3.38Å; V211-I215 PolarHBondContact O-N 3.34Å; V211-L240 HydrophobicContact CG1-CD1 4.16Å; V211-L256 HydrophobicContact CG1-CB 3.92Å; V211-L256 HydrophobicContact CG2-CB 4.33Å; V211-D257 VanDerWaalsContact CB-O 3.24Å; V211-D257 WeakPolarHBondContact CB-O 3.33Å; V211-D257 WeakPolarHBondContact CG2-O 3.4Å; V211-E260 WeakPolarHBondContact CG2-O 3.46Å; V211-E260 PolarHBondContact N-O 2.97Å; V211-F265 HydrophobicContact CG2-CD2 4.09Å; V211-F265 HydrophobicContact CG2-CE2 3.58Å; V211-F265 HydrophobicContact CG2-CZ 4.49Å
212H90.8Very high89.9Confident48 Ų4823.7 Ų23.722%0.22212%0.117CC..Hα-helixtrans-55.1-47.5172.6-180-89.9000112.5Y168 R210 L214 I215 G216 S258Y168-H212 PolarHBondContact OH-CE1 3.45Å; R210-H212 PolarHBondContact O-N 3.2Å; H212-L214 VanDerWaalsContact C-N 3.3Å; H212-L214 PolarHBondContact O-N 3.19Å; H212-I215 WeakPolarHBondContact O-CB 3.47Å; H212-I215 PolarHBondContact O-N 3.41Å; H212-I215 VanDerWaalsContact O-N 3.17Å; H212-G216 PolarHBondContact O-N 3.48Å; H212-G216 VanDerWaalsContact O-N 3.09Å; H212-S258 VanDerWaalsContact CB-O 3.28Å; H212-S258 WeakPolarHBondContact CB-O 3.34Å; H212-S258 PolarHBondContact N-O 3.4Å
213D92.1Very high89.7Confident28 Ų2823.2 Ų23.215%0.1511%0.114CC..Hα-helixtrans-66.4-34.6-179.7-59-38000111.7F171 A209 R210 V211 L217F171-D213 HydrophobicContact CD2-CB 3.74Å; F171-D213 HydrophobicContact CE1-CB 4.48Å; F171-D213 HydrophobicContact CE2-CB 3.63Å; F171-D213 HydrophobicContact CG-CB 4.19Å; F171-D213 HydrophobicContact CZ-CB 4.02Å; A209-D213 HydrophobicContact CB-CB 4.39Å; R210-D213 WeakPolarHBondContact CB-OD2 3.48Å; R210-D213 PolarHBondContact N-OD2 3.32Å; R210-D213 WeakPolarHBondContact O-CB 3.32Å; R210-D213 PolarHBondContact O-N 2.99Å; R210-D213 VanDerWaalsContact O-N 3.11Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 PolarHBondContact O-N 3.21Å; D213-L217 WeakPolarHBondContact O-CB 3.44Å; D213-L217 PolarHBondContact O-N 3.08Å
214L91.9Very high89.3Confident0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-63.5-45.3171.7174.167.9000111.1I185 V203 T205 R210 V211 H212 G216 L217 I218 L240 I262 L270I185-L214 HydrophobicContact CD1-CD2 3.78Å; V203-L214 HydrophobicContact CG1-CD1 4.07Å; T205-L214 HydrophobicContact CG2-CD1 3.98Å; R210-L214 PolarHBondContact O-N 3Å; V211-L214 WeakPolarHBondContact O-CB 3.44Å; V211-L214 PolarHBondContact O-N 3.34Å; H212-L214 VanDerWaalsContact C-N 3.3Å; H212-L214 PolarHBondContact O-N 3.19Å; L214-G216 VanDerWaalsContact C-N 3.3Å; L214-G216 PolarHBondContact O-N 3.19Å; L214-L217 HydrophobicContact CD1-CD2 4.37Å; L214-L217 WeakPolarHBondContact O-CB 3.48Å; L214-L217 PolarHBondContact O-N 3.23Å; L214-L217 VanDerWaalsContact O-N 3.1Å; L214-I218 HydrophobicContact CD1-CD1 4.09Å; L214-I218 HydrophobicContact CD1-CG1 4.11Å; L214-I218 HydrophobicContact CD2-CD1 4.1Å; L214-I218 HydrophobicContact CG-CD1 3.73Å; L214-I218 HydrophobicContact CG-CG1 4.22Å; L214-I218 VanDerWaalsContact O-CG1 3.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.24Å; L214-I218 PolarHBondContact O-N 3.5Å; L214-L240 HydrophobicContact CD2-CD1 3.48Å; L214-L240 VanDerWaalsContact CD2-CD1 3.48Å; L214-L240 HydrophobicContact CG-CD1 4.04Å; L214-I262 HydrophobicContact CB-CD1 4.03Å; L214-I262 HydrophobicContact CD2-CD1 3.1Å; L214-I262 HydrophobicContact CG-CD1 4.03Å; L214-L270 HydrophobicContact CD2-CD1 4.24Å
215I91.6Very high88.9Confident1 Ų128 Ų281%0.00514%0.14CC..Hα-helixtrans-57.5-47.6178.8-66.1166.4000109.6V211 H212 L217 I218 C219 V235 L240 L272V211-I215 HydrophobicContact CG1-CD1 4.18Å; V211-I215 VanDerWaalsContact O-CG1 3.32Å; V211-I215 WeakPolarHBondContact O-CG1 3.38Å; V211-I215 PolarHBondContact O-N 3.34Å; H212-I215 WeakPolarHBondContact O-CB 3.47Å; H212-I215 PolarHBondContact O-N 3.41Å; H212-I215 VanDerWaalsContact O-N 3.17Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 3.35Å; I215-I218 WeakPolarHBondContact O-CB 3.43Å; I215-I218 PolarHBondContact O-N 2.72Å; I215-C219 PolarHBondContact O-N 3.26Å; I215-C219 PolarHBondContact O-SG 2.97Å; I215-V235 HydrophobicContact CB-CG1 3.92Å; I215-V235 HydrophobicContact CG2-CG1 3.6Å; I215-L240 HydrophobicContact CD1-CD1 4.41Å; I215-L240 HydrophobicContact CD1-CG 4.37Å; I215-L240 HydrophobicContact CG1-CD1 3.62Å; I215-L240 HydrophobicContact CG1-CG 3.78Å; I215-L272 HydrophobicContact CG2-CD1 4.03Å
216G90.6Very high88.1Confident0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-60-38.9175.300000113.3Y168 H212 L214 C219 W220Y168-G216 VanDerWaalsContact CB-C 3.45Å; H212-G216 PolarHBondContact O-N 3.48Å; H212-G216 VanDerWaalsContact O-N 3.09Å; L214-G216 VanDerWaalsContact C-N 3.3Å; L214-G216 PolarHBondContact O-N 3.19Å; G216-C219 PolarHBondContact O-N 2.76Å; G216-W220 WeakPolarHBondContact O-CB 3.4Å; G216-W220 PolarHBondContact O-N 2.93Å
217L90.8Very high87.3Confident0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-65-39.7175.2-177.373.8000112.1Y168 D172 V203 D213 L214 I215 W220 Q221Y168-L217 WeakPolarHBondContact O-CD1 3.41Å; D172-L217 HydrophobicContact CB-CD1 4Å; V203-L217 HydrophobicContact CG1-CD2 3.48Å; V203-L217 VanDerWaalsContact CG1-CD2 3.48Å; V203-L217 HydrophobicContact CG1-CG 3.93Å; D213-L217 WeakPolarHBondContact O-CB 3.44Å; D213-L217 PolarHBondContact O-N 3.08Å; L214-L217 HydrophobicContact CD1-CD2 4.37Å; L214-L217 WeakPolarHBondContact O-CB 3.48Å; L214-L217 PolarHBondContact O-N 3.23Å; L214-L217 VanDerWaalsContact O-N 3.1Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 3.35Å; L217-W220 HydrophobicContact CD1-CE3 4.19Å; L217-W220 PolarHBondContact O-N 3.14Å; L217-Q221 PolarHBondContact O-N 2.88Å
218I90.6Very high86.6Confident0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-63.3-47.5175-66.4161.8000109.7V187 V203 L214 I215 W220 Q221 Y222 L240 L272V187-I218 HydrophobicContact CB-CD1 4.49Å; V187-I218 HydrophobicContact CG1-CD1 4.04Å; V187-I218 HydrophobicContact CG1-CG2 4.06Å; V187-I218 HydrophobicContact CG2-CD1 3.77Å; V187-I218 HydrophobicContact CG2-CG1 4.09Å; V203-I218 HydrophobicContact CB-CG1 4.5Å; V203-I218 HydrophobicContact CG1-CG1 4.45Å; V203-I218 HydrophobicContact CG2-CG1 4.03Å; L214-I218 HydrophobicContact CD1-CD1 4.09Å; L214-I218 HydrophobicContact CD1-CG1 4.11Å; L214-I218 HydrophobicContact CD2-CD1 4.1Å; L214-I218 HydrophobicContact CG-CD1 3.73Å; L214-I218 HydrophobicContact CG-CG1 4.22Å; L214-I218 VanDerWaalsContact O-CG1 3.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.24Å; L214-I218 PolarHBondContact O-N 3.5Å; I215-I218 WeakPolarHBondContact O-CB 3.43Å; I215-I218 PolarHBondContact O-N 2.72Å; I218-W220 VanDerWaalsContact C-N 3.31Å; I218-W220 PolarHBondContact O-N 3.48Å; I218-Q221 PolarHBondContact O-N 3.35Å; I218-Y222 VanDerWaalsContact O-CB 3.29Å; I218-Y222 WeakPolarHBondContact O-CB 3.35Å; I218-Y222 PolarHBondContact O-N 3.46Å; I218-L240 HydrophobicContact CD1-CD1 4.01Å; I218-L240 HydrophobicContact CD1-CD2 3.7Å; I218-L240 HydrophobicContact CD1-CG 4.4Å; I218-L272 HydrophobicContact CG2-CD2 3.95Å
219C88.8Confident86Confident0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-60.6-40.4176.8-650000111.9F165 I215 G216 T223 L231F165-C219 HydrophobicContact CD1-CB 3.9Å; F165-C219 HydrophobicContact CD2-CB 3.78Å; F165-C219 HydrophobicContact CE1-CB 3.91Å; F165-C219 HydrophobicContact CE2-CB 3.8Å; F165-C219 HydrophobicContact CG-CB 3.82Å; F165-C219 HydrophobicContact CZ-CB 3.86Å; I215-C219 PolarHBondContact O-N 3.26Å; I215-C219 PolarHBondContact O-SG 2.97Å; G216-C219 PolarHBondContact O-N 2.76Å; C219-T223 WeakPolarHBondContact O-CB 3.42Å; C219-T223 WeakPolarHBondContact O-CG2 3.38Å; C219-T223 PolarHBondContact O-N 3.39Å; C219-T223 PolarHBondContact O-OG1 3.21Å; C219-L231 HydrophobicContact CB-CD1 3.97Å
220W88.4Confident85.3Confident24 Ų2445.9 Ų45.99%0.09123%0.228CC..Hα-helixtrans-61.4-47.6173.8176.683.1000112.1N163 F165 G216 L217 I218 T223 S224N163-W220 PolarHBondContact ND2-O 3.17Å; F165-W220 HydrophobicContact CB-CB 3.71Å; G216-W220 WeakPolarHBondContact O-CB 3.4Å; G216-W220 PolarHBondContact O-N 2.93Å; L217-W220 HydrophobicContact CD1-CE3 4.19Å; L217-W220 PolarHBondContact O-N 3.14Å; I218-W220 VanDerWaalsContact C-N 3.31Å; I218-W220 PolarHBondContact O-N 3.48Å; W220-T223 WeakPolarHBondContact CA-OG1 3.3Å; W220-T223 PolarHBondContact O-N 2.88Å; W220-T223 PolarHBondContact O-OG1 2.78Å; W220-S224 VanDerWaalsContact O-CB 3.29Å; W220-S224 WeakPolarHBondContact O-CB 3.26Å; W220-S224 PolarHBondContact O-N 3.01Å; W220-S224 PolarHBondContact O-OG 3.5Å
221Q87.6Confident84.7Confident11 Ų1140.3 Ų40.35%0.05121%0.209CC..Hα-helixtrans-65.7-43.4179.5-172.7171-31.200110.9M201 T202 L217 I218 T223 S224 E225M201-Q221 HydrophobicContact CE-CG 4.43Å; M201-Q221 HydrophobicContact CG-CG 4.37Å; M201-Q221 HydrophobicContact SD-CB 3.87Å; M201-Q221 HydrophobicContact SD-CG 3.68Å; T202-Q221 PolarHBondContact O-NE2 3.19Å; T202-Q221 VanDerWaalsContact O-NE2 3.17Å; L217-Q221 PolarHBondContact O-N 2.88Å; I218-Q221 PolarHBondContact O-N 3.35Å; Q221-T223 PolarHBondContact O-N 2.78Å; Q221-S224 WeakPolarHBondContact CA-OG 3.17Å; Q221-S224 PolarHBondContact O-N 2.91Å; Q221-S224 PolarHBondContact O-OG 3.33Å; Q221-E225 HydrophobicContact CG-CG 4.47Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.46Å; Q221-E225 PolarHBondContact NE2-OE1 2.62Å; Q221-E225 WeakPolarHBondContact O-CG 3.49Å; Q221-E225 PolarHBondContact O-N 3.29Å
222Y86.8Confident84Confident3 Ų342.4 Ų42.41%0.01222%0.224CC..Hα-helixtrans-56.2-48.7176.6-177.3-84.8000113L189 M201 I218 E225 G226 R227 E228 P229 L231L189-Y222 HydrophobicContact CD1-CD2 3.62Å; L189-Y222 HydrophobicContact CD1-CE2 3.71Å; L189-Y222 HydrophobicContact CD2-CD2 3.55Å; L189-Y222 HydrophobicContact CD2-CE2 3.72Å; L189-Y222 HydrophobicContact CG-CD2 4.21Å; L189-Y222 HydrophobicContact CG-CE2 4.26Å; M201-Y222 HydrophobicContact CE-CD2 4.15Å; I218-Y222 VanDerWaalsContact O-CB 3.29Å; I218-Y222 WeakPolarHBondContact O-CB 3.35Å; I218-Y222 PolarHBondContact O-N 3.46Å; Y222-E225 PolarHBondContact O-N 3.27Å; Y222-G226 PolarHBondContact O-N 3.46Å; Y222-R227 HydrophobicContact CD1-CB 4.19Å; Y222-R227 HydrophobicContact CD2-CB 3.89Å; Y222-R227 HydrophobicContact CD2-CG 4.41Å; Y222-R227 HydrophobicContact CE1-CB 3.77Å; Y222-R227 VanDerWaalsContact CE1-O 3.28Å; Y222-R227 WeakPolarHBondContact CE1-O 3.47Å; Y222-R227 HydrophobicContact CE2-CB 3.45Å; Y222-R227 VanDerWaalsContact CE2-CB 3.45Å; Y222-R227 HydrophobicContact CE2-CG 4.28Å; Y222-R227 HydrophobicContact CG-CB 4.24Å; Y222-R227 PolarHBondContact O-N 3.36Å; Y222-E228 PolarHBondContact OH-N 3.4Å; Y222-E228 PolarHBondContact OH-O 3.32Å; Y222-P229 VanDerWaalsContact CE1-O 3.25Å; Y222-P229 WeakPolarHBondContact CE1-O 3.33Å; Y222-P229 WeakPolarHBondContact OH-CD 3.47Å; Y222-P229 VanDerWaalsContact OH-N 3.1Å; Y222-P229 PolarHBondContact OH-O 2.63Å; Y222-L231 HydrophobicContact CD1-CD1 3.33Å; Y222-L231 HydrophobicContact CD1-CD2 4.34Å; Y222-L231 HydrophobicContact CD1-CG 3.51Å; Y222-L231 HydrophobicContact CD2-CD1 4.44Å; Y222-L231 HydrophobicContact CE1-CD1 4.01Å; Y222-L231 HydrophobicContact CE1-CD2 4.21Å; Y222-L231 HydrophobicContact CE1-CG 3.66Å; Y222-L231 HydrophobicContact CG-CD1 3.59Å; Y222-L231 HydrophobicContact CG-CG 4.19Å
223T84.5Confident83.2Confident42 Ų4247 Ų4726%0.25825%0.245SC..Hα-helixtrans-69.7-34.4178.445.70000112N163 F165 C219 W220 Q221 E225 G226N163-T223 VanDerWaalsContact CG-OG1 3.28Å; N163-T223 PolarHBondContact ND2-OG1 3.4Å; N163-T223 PolarHBondContact OD1-OG1 2.74Å; N163-T223 VanDerWaalsContact OD1-OG1 3.13Å; F165-T223 HydrophobicContact CD2-CG2 4.15Å; F165-T223 HydrophobicContact CE2-CG2 4.07Å; C219-T223 WeakPolarHBondContact O-CB 3.42Å; C219-T223 WeakPolarHBondContact O-CG2 3.38Å; C219-T223 PolarHBondContact O-N 3.39Å; C219-T223 PolarHBondContact O-OG1 3.21Å; W220-T223 WeakPolarHBondContact CA-OG1 3.3Å; W220-T223 PolarHBondContact O-N 2.88Å; W220-T223 PolarHBondContact O-OG1 2.78Å; Q221-T223 PolarHBondContact O-N 2.78Å; T223-E225 VanDerWaalsContact C-N 3.33Å; T223-E225 PolarHBondContact O-N 2.62Å; T223-G226 PolarHBondContact O-N 2.97Å
224S82.6Confident82.6Confident37 Ų3750.5 Ų50.526%0.25926%0.264SS..Hα-helixtrans-68.4-30.3175.177.60000113.5W220 Q221 G226W220-S224 VanDerWaalsContact O-CB 3.29Å; W220-S224 WeakPolarHBondContact O-CB 3.26Å; W220-S224 PolarHBondContact O-N 3.01Å; W220-S224 PolarHBondContact O-OG 3.5Å; Q221-S224 WeakPolarHBondContact CA-OG 3.17Å; Q221-S224 PolarHBondContact O-N 2.91Å; Q221-S224 PolarHBondContact O-OG 3.33Å; S224-G226 PolarHBondContact O-N 2.78Å
225E82.6Confident82.1Confident85 Ų8551 Ų5140%0.39727%0.267SS..THydrogen-bonded Turntrans-80-6174.7-72.1-180-161.500112.2M201 Q221 Y222 T223 R227M201-E225 WeakPolarHBondContact CE-OE2 3.26Å; Q221-E225 HydrophobicContact CG-CG 4.47Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.46Å; Q221-E225 PolarHBondContact NE2-OE1 2.62Å; Q221-E225 WeakPolarHBondContact O-CG 3.49Å; Q221-E225 PolarHBondContact O-N 3.29Å; Y222-E225 PolarHBondContact O-N 3.27Å; T223-E225 VanDerWaalsContact C-N 3.33Å; T223-E225 PolarHBondContact O-N 2.62Å; E225-R227 VanDerWaalsContact C-N 3.32Å; E225-R227 HydrophobicContact CB-CG 4.09Å; E225-R227 PolarHBondContact O-N 3.1Å; E225-R227 IonicContact OE2-CZ 2.65Å; E225-R227 IonicContact OE2-NE 2.75Å; E225-R227 PolarHBondContact OE2-NE 3.24Å; E225-R227 IonicContact OE2-NH2 2.77Å; E225-R227 PolarHBondContact OE2-NH2 3.04Å
226G73.8Confident81.6Confident51 Ų5158.4 Ų58.453%0.52630%0.301SS..THydrogen-bonded Turntrans67.629.2177.900000113.8Y222 T223 S224Y222-G226 PolarHBondContact O-N 3.46Å; T223-G226 PolarHBondContact O-N 2.97Å; S224-G226 PolarHBondContact O-N 2.78Å
227R75.1Confident81.1Confident74 Ų7458.7 Ų58.728%0.27930%0.304SS..  trans-74.3150-178.6-65-170.7-174.5-133.34.3112.1Y222 E225Y222-R227 HydrophobicContact CD1-CB 4.19Å; Y222-R227 HydrophobicContact CD2-CB 3.89Å; Y222-R227 HydrophobicContact CD2-CG 4.41Å; Y222-R227 HydrophobicContact CE1-CB 3.77Å; Y222-R227 VanDerWaalsContact CE1-O 3.28Å; Y222-R227 WeakPolarHBondContact CE1-O 3.47Å; Y222-R227 HydrophobicContact CE2-CB 3.45Å; Y222-R227 VanDerWaalsContact CE2-CB 3.45Å; Y222-R227 HydrophobicContact CE2-CG 4.28Å; Y222-R227 HydrophobicContact CG-CB 4.24Å; Y222-R227 PolarHBondContact O-N 3.36Å; E225-R227 VanDerWaalsContact C-N 3.32Å; E225-R227 HydrophobicContact CB-CG 4.09Å; E225-R227 PolarHBondContact O-N 3.1Å; E225-R227 IonicContact OE2-CZ 2.65Å; E225-R227 IonicContact OE2-NE 2.75Å; E225-R227 PolarHBondContact OE2-NE 3.24Å; E225-R227 IonicContact OE2-NH2 2.77Å; E225-R227 PolarHBondContact OE2-NH2 3.04Å
228E69.1Low80.9Confident157 Ų15758.8 Ų58.873%0.73430%0.304SS*.SBendtrans-111.4146173.1-62.9-174.9165.500110.3Q192 Y222Q192-E228 PolarHBondContact NE2-O 3.17Å; Y222-E228 PolarHBondContact OH-N 3.4Å; Y222-E228 PolarHBondContact OH-O 3.32Å
229P75.8Confident80.8Confident66 Ų6659.2 Ų59.243%0.42931%0.307SS..SBendcis-76.9154.52.831.8-35.6000114.9M191 Y222 L231M191-P229 HydrophobicContact CB-CG 4.37Å; Y222-P229 VanDerWaalsContact CE1-O 3.25Å; Y222-P229 WeakPolarHBondContact CE1-O 3.33Å; Y222-P229 WeakPolarHBondContact OH-CD 3.47Å; Y222-P229 VanDerWaalsContact OH-N 3.1Å; Y222-P229 PolarHBondContact OH-O 2.63Å; P229-L231 PolarHBondContact O-N 2.97Å
230K75.5Confident80.8Confident199 Ų19959.2 Ų59.287%0.86531%0.307SS*.PPolyproline II helixtrans-61.1126.9177.5-71.4-179-178.4176.10110.8
231L79Confident80.8Confident21 Ų2159.7 Ų59.711%0.1131%0.31CS..PPolyproline II helixtrans-70.2141175-62.2176.9000110.8C219 Y222 P229 Y238C219-L231 HydrophobicContact CB-CD1 3.97Å; Y222-L231 HydrophobicContact CD1-CD1 3.33Å; Y222-L231 HydrophobicContact CD1-CD2 4.34Å; Y222-L231 HydrophobicContact CD1-CG 3.51Å; Y222-L231 HydrophobicContact CD2-CD1 4.44Å; Y222-L231 HydrophobicContact CE1-CD1 4.01Å; Y222-L231 HydrophobicContact CE1-CD2 4.21Å; Y222-L231 HydrophobicContact CE1-CG 3.66Å; Y222-L231 HydrophobicContact CG-CD1 3.59Å; Y222-L231 HydrophobicContact CG-CG 4.19Å; P229-L231 PolarHBondContact O-N 2.97Å; L231-Y238 VanDerWaalsContact CA-OH 3.25Å; L231-Y238 WeakPolarHBondContact CA-OH 3.34Å; L231-Y238 VanDerWaalsContact CB-OH 3.28Å; L231-Y238 WeakPolarHBondContact CB-OH 3.14Å; L231-Y238 HydrophobicContact CD2-CE1 3.92Å; L231-Y238 WeakPolarHBondContact CD2-OH 3.41Å
232S76.8Confident80.8Confident44 Ų4460 Ų6031%0.30831%0.312SS..PPolyproline II helixtrans-52.2139.3161.9177.70000111.3F165 N234 Y238F165-S232 WeakPolarHBondContact CZ-O 3.28Å; S232-N234 PolarHBondContact O-N 2.95Å; S232-Y238 WeakPolarHBondContact CB-OH 3.43Å; S232-Y238 PolarHBondContact N-OH 3.4Å
233E74.1Confident80.8Confident145 Ų14560.1 Ų60.168%0.67831%0.314SS*.SBendtrans-65.1-18.4179.9-65-179.4175.800113.4P164 F165P164-E233 HydrophobicContact CB-CG 4.37Å; P164-E233 HydrophobicContact CG-CG 4.36Å; F165-E233 VanDerWaalsContact CE1-O 3.23Å; F165-E233 WeakPolarHBondContact CE1-O 3.23Å
234N78.4Confident80.8Confident101 Ų10163.2 Ų63.254%0.5433%0.325SS..  trans-86.1114.4-179.4-69-37.7000111.5S232 E236 A237 Y238S232-N234 PolarHBondContact O-N 2.95Å; N234-E236 PolarHBondContact O-N 3.29Å; N234-A237 HydrophobicContact CB-CB 4.24Å; N234-A237 VanDerWaalsContact O-CB 3.28Å; N234-A237 WeakPolarHBondContact O-CB 3.19Å; N234-A237 PolarHBondContact O-N 3.18Å; N234-A237 VanDerWaalsContact O-N 3.13Å; N234-Y238 WeakPolarHBondContact O-CE2 3.44Å
235V82.1Confident80.6Confident10 Ų1067.2 Ų67.26%0.06134%0.344CS..G310 helixtrans-62.6-32.8175.3-178.20000111.8F165 Y168 I215 A237 Y238F165-V235 HydrophobicContact CD1-CG2 3.75Å; F165-V235 HydrophobicContact CE1-CG2 3.64Å; Y168-V235 HydrophobicContact CE2-CG2 3.68Å; I215-V235 HydrophobicContact CB-CG1 3.92Å; I215-V235 HydrophobicContact CG2-CG1 3.6Å; V235-A237 PolarHBondContact O-N 3.01Å; V235-Y238 PolarHBondContact O-N 3.21Å
236E80.3Confident80.2Confident156 Ų15669.7 Ų69.773%0.72936%0.36SS*.G310 helixtrans-65-19.1177.5-64.2-178172.500113.3N234 Y238 K275N234-E236 PolarHBondContact O-N 3.29Å; E236-Y238 PolarHBondContact O-N 3.43Å; E236-K275 WeakPolarHBondContact O-CD 3.27Å
237A81.3Confident80Confident6 Ų667.7 Ų67.75%0.0534%0.339CS..G310 helixtrans-74.37.5172.900000112.5N234 V235 E274 K275N234-A237 HydrophobicContact CB-CB 4.24Å; N234-A237 VanDerWaalsContact O-CB 3.28Å; N234-A237 WeakPolarHBondContact O-CB 3.19Å; N234-A237 PolarHBondContact O-N 3.18Å; N234-A237 VanDerWaalsContact O-N 3.13Å; V235-A237 PolarHBondContact O-N 3.01Å; A237-E274 CarbonylContact O-C 3.48Å; A237-E274 VanDerWaalsContact O-CA 3.28Å; A237-E274 WeakPolarHBondContact O-CA 3Å; A237-E274 VanDerWaalsContact O-CG 3.27Å; A237-E274 WeakPolarHBondContact O-CG 3.49Å; A237-K275 CarbonylContact C-O 3.36Å; A237-K275 WeakPolarHBondContact CA-O 3.43Å; A237-K275 CarbonylContact O-C 3.55Å; A237-K275 WeakPolarHBondContact O-CA 3.4Å; A237-K275 PolarHBondContact O-N 3.35Å
238Y86.6Confident80.2Confident3 Ų370.9 Ų70.91%0.01236%0.357CS..EExtended strand (participates in β ladder)trans-130.5149.1176.9-55.3-82.7000113L231 S232 N234 V235 E236 L272 V273 E274 K275L231-Y238 VanDerWaalsContact CA-OH 3.25Å; L231-Y238 WeakPolarHBondContact CA-OH 3.34Å; L231-Y238 VanDerWaalsContact CB-OH 3.28Å; L231-Y238 WeakPolarHBondContact CB-OH 3.14Å; L231-Y238 HydrophobicContact CD2-CE1 3.92Å; L231-Y238 WeakPolarHBondContact CD2-OH 3.41Å; S232-Y238 WeakPolarHBondContact CB-OH 3.43Å; S232-Y238 PolarHBondContact N-OH 3.4Å; N234-Y238 WeakPolarHBondContact O-CE2 3.44Å; V235-Y238 PolarHBondContact O-N 3.21Å; E236-Y238 PolarHBondContact O-N 3.43Å; Y238-L272 HydrophobicContact CD1-CD2 4.21Å; Y238-L272 HydrophobicContact CD1-CG 4.22Å; Y238-L272 HydrophobicContact CG-CD1 4.39Å; Y238-V273 CarbonylContact C-O 3.53Å; Y238-V273 WeakPolarHBondContact CA-O 3.27Å; Y238-E274 HydrophobicContact CD1-CB 3.96Å; Y238-E274 HydrophobicContact CD1-CG 4.09Å; Y238-E274 HydrophobicContact CE1-CB 3.9Å; Y238-E274 HydrophobicContact CE1-CG 3.76Å; Y238-K275 WeakPolarHBondContact O-CD 3.39Å; Y238-K275 PolarHBondContact O-NZ 3.25Å
239C87.8Confident80.9Confident8 Ų865.7 Ų65.75%0.05434%0.336CS..EExtended strand (participates in β ladder)trans-122.7160.7163.331.90000111P255 V273 K275C239-P255 HydrophobicContact CB-CB 3.7Å; C239-V273 PolarHBondContact N-O 3.28Å; C239-V273 PolarHBondContact O-N 3.17Å; C239-K275 HydrophobicContact CB-CD 4.25Å; C239-K275 VanDerWaalsContact CB-CE 3.42Å; C239-K275 HydrophobicContact CB-CG 4.09Å; C239-K275 WeakPolarHBondContact SG-CG 3.42Å
240L89.9Confident81.2Confident0 Ų064.2 Ų64.20%032%0.324CS..EExtended strand (participates in β ladder)trans-102.7128.3164.4-69.8164.5000109.9V187 V211 L214 I215 I218 P255 L256 L270 A271 L272V187-L240 HydrophobicContact CG1-CD2 4.45Å; V211-L240 HydrophobicContact CG1-CD1 4.16Å; L214-L240 HydrophobicContact CD2-CD1 3.48Å; L214-L240 VanDerWaalsContact CD2-CD1 3.48Å; L214-L240 HydrophobicContact CG-CD1 4.04Å; I215-L240 HydrophobicContact CD1-CD1 4.41Å; I215-L240 HydrophobicContact CD1-CG 4.37Å; I215-L240 HydrophobicContact CG1-CD1 3.62Å; I215-L240 HydrophobicContact CG1-CG 3.78Å; I218-L240 HydrophobicContact CD1-CD1 4.01Å; I218-L240 HydrophobicContact CD1-CD2 3.7Å; I218-L240 HydrophobicContact CD1-CG 4.4Å; L240-P255 WeakPolarHBondContact O-CA 3.13Å; L240-L256 HydrophobicContact CB-CD1 3.84Å; L240-L256 PolarHBondContact O-N 3.06Å; L240-L270 HydrophobicContact CB-CD1 4.42Å; L240-L270 HydrophobicContact CD1-CD1 4.16Å; L240-L270 HydrophobicContact CD2-CB 4.23Å; L240-A271 WeakPolarHBondContact CA-O 3.17Å; L240-L272 HydrophobicContact CD2-CB 4.27Å; L240-L272 HydrophobicContact CD2-CD1 3.92Å; L240-L272 HydrophobicContact CG-CD1 4.38Å
241H87.6Confident81.3Confident34 Ų3460.7 Ų60.716%0.15732%0.32CS..EExtended strand (participates in β ladder)trans-104.8158.7167.1-78.6-102.1000110.2V249 L270 A271H241-V249 HydrophobicContact CB-CG1 3.5Å; H241-V249 VanDerWaalsContact CB-CG1 3.5Å; H241-L270 CarbonylContact O-C 3.57Å; H241-L270 VanDerWaalsContact O-CA 3.31Å; H241-L270 WeakPolarHBondContact O-CA 3.34Å; H241-L270 WeakPolarHBondContact O-CD2 3.08Å; H241-A271 PolarHBondContact N-O 2.87Å; H241-A271 PolarHBondContact O-N 2.62Å
242I87.9Confident81.4Confident17 Ų1766.4 Ų66.49%0.08735%0.35CS..EExtended strand (participates in β ladder)trans-70.9137.2167.9-61.4170.7000107.3D250 F253 F267 L270I242-D250 HydrophobicContact CB-CB 4.45Å; I242-D250 HydrophobicContact CG2-CB 4.42Å; I242-D250 PolarHBondContact O-N 3.49Å; I242-F253 HydrophobicContact CD1-CB 3.89Å; I242-F253 HydrophobicContact CD1-CD1 4.29Å; I242-F253 HydrophobicContact CD1-CD2 4.29Å; I242-F253 HydrophobicContact CD1-CG 3.89Å; I242-F267 HydrophobicContact CD1-CD1 4.39Å; I242-F267 HydrophobicContact CD1-CD2 3.76Å; I242-F267 HydrophobicContact CD1-CE1 4.1Å; I242-F267 HydrophobicContact CD1-CE2 3.43Å; I242-F267 VanDerWaalsContact CD1-CE2 3.43Å; I242-F267 HydrophobicContact CD1-CG 4.24Å; I242-F267 HydrophobicContact CD1-CZ 3.62Å; I242-F267 HydrophobicContact CG1-CD2 4.02Å; I242-F267 HydrophobicContact CG1-CE2 4.21Å; I242-F267 HydrophobicContact CG1-CG 4.29Å; I242-F267 HydrophobicContact CG2-CD1 4.27Å; I242-F267 HydrophobicContact CG2-CG 4.46Å; I242-L270 HydrophobicContact CG1-CD2 4.38Å
243A86.5Confident81.5Confident7 Ų769 Ų696%0.05836%0.357CS..BIsolated β-bridgetrans-128.3150.7176.300000109.7Y188 E248 T269 A271Y188-A243 HydrophobicContact CD2-CB 4.39Å; A243-E248 CarbonylContact C-O 3.44Å; A243-E248 WeakPolarHBondContact CA-O 3.42Å; A243-E248 WeakPolarHBondContact CB-O 3.46Å; A243-T269 HydrophobicContact CB-CG2 4.38Å; A243-T269 PolarHBondContact N-O 3.06Å; A243-T269 WeakPolarHBondContact O-CB 3.47Å; A243-A271 HydrophobicContact CB-CB 3.82Å
244E83.6Confident81.8Confident107 Ų10766.9 Ų66.950%0.536%0.355SS..  trans-75.2170.1170.3-62.8-166.9178.800111.1D246 G247 E248 T269E244-D246 PolarHBondContact O-N 3.18Å; E244-D246 VanDerWaalsContact O-N 3.15Å; E244-G247 PolarHBondContact O-N 2.76Å; E244-E248 PolarHBondContact N-O 2.91Å; E244-T269 WeakPolarHBondContact O-CG2 3.42Å
245D79.6Confident82.2Confident121 Ų12164.9 Ų64.965%0.64735%0.348SS*.THydrogen-bonded Turntrans-63.1-20.7-179.1-69-24.2000112.8Y188 T269Y188-D245 PolarHBondContact OH-O 3.36Å; D245-T269 PolarHBondContact OD1-OG1 3.1Å
246D73.3Confident82.4Confident137 Ų13765 Ų6573%0.73335%0.348SS*.THydrogen-bonded Turntrans-86.8-2.9175.7-66.3-30.9000113.6E244E244-D246 PolarHBondContact O-N 3.18Å; E244-D246 VanDerWaalsContact O-N 3.15Å
247G70.6Confident82.6Confident9 Ų961.6 Ų61.69%0.09334%0.335CS..SBendtrans86.63.6178.600000115.3E244E244-G247 PolarHBondContact O-N 2.76Å
248E78.1Confident82.9Confident140 Ų14062.5 Ų62.565%0.65434%0.341SS*.  trans-69.5136.7170.2-64.8-160165.600110.9A243 E244A243-E248 CarbonylContact C-O 3.44Å; A243-E248 WeakPolarHBondContact CA-O 3.42Å; A243-E248 WeakPolarHBondContact CB-O 3.46Å; E244-E248 PolarHBondContact N-O 2.91Å
249V83.7Confident82.9Confident48 Ų4867.7 Ų67.729%0.29137%0.369SS..BIsolated β-bridgetrans-82124.2-179.1-177.30000109.2H241 T251 A271H241-V249 HydrophobicContact CB-CG1 3.5Å; H241-V249 VanDerWaalsContact CB-CG1 3.5Å; V249-T251 PolarHBondContact O-N 3.08Å; V249-A271 HydrophobicContact CG2-CB 3.73Å
250D82.5Confident83Confident35 Ų3570 Ų7019%0.18738%0.379CS..  trans-74108.5175.9-171-22.7000109.6I242 D252 F253I242-D250 HydrophobicContact CB-CB 4.45Å; I242-D250 HydrophobicContact CG2-CB 4.42Å; I242-D250 PolarHBondContact O-N 3.49Å; D250-D252 VanDerWaalsContact C-N 3.29Å; D250-D252 WeakPolarHBondContact OD1-CB 3.5Å; D250-D252 PolarHBondContact OD1-N 3.25Å; D250-F253 HydrophobicContact CB-CD2 4.39Å; D250-F253 WeakPolarHBondContact OD2-CD2 3.42Å; D250-F253 VanDerWaalsContact OD2-CE2 3.26Å; D250-F253 WeakPolarHBondContact OD2-CE2 2.86Å
251T77.3Confident82.9Confident125 Ų12571.3 Ų71.377%0.76739%0.387SS*.THydrogen-bonded Turntrans-78.9-11.9-17855.60000113.7V249 F253V249-T251 PolarHBondContact O-N 3.08Å; T251-F253 VanDerWaalsContact C-N 3.27Å
252D81.6Confident82.9Confident141 Ų14169.8 Ų69.875%0.75438%0.38SS*.THydrogen-bonded Turntrans-77.8-19.1-179.1-67.8-15.1000111.5D250D250-D252 VanDerWaalsContact C-N 3.29Å; D250-D252 WeakPolarHBondContact OD1-CB 3.5Å; D250-D252 PolarHBondContact OD1-N 3.25Å
253F78.3Confident82.8Confident100 Ų10073.9 Ų73.944%0.43940%0.399SS..SBendtrans-105.7136.2176.9-64.2-85000112.8I242 D250 T251I242-F253 HydrophobicContact CD1-CB 3.89Å; I242-F253 HydrophobicContact CD1-CD1 4.29Å; I242-F253 HydrophobicContact CD1-CD2 4.29Å; I242-F253 HydrophobicContact CD1-CG 3.89Å; D250-F253 HydrophobicContact CB-CD2 4.39Å; D250-F253 WeakPolarHBondContact OD2-CD2 3.42Å; D250-F253 VanDerWaalsContact OD2-CE2 3.26Å; D250-F253 WeakPolarHBondContact OD2-CE2 2.86Å; T251-F253 VanDerWaalsContact C-N 3.27Å
254P81.8Confident82.8Confident99 Ų9979.2 Ų79.264%0.64342%0.421SS*.PPolyproline II helixtrans-66.4161.1172.829.9-34.9000111.3
255P86.1Confident82.7Confident59 Ų5975.8 Ų75.838%0.38340%0.404SS..PPolyproline II helixtrans-57.8147.3172.522.7-31000111.2C239 L240 D257C239-P255 HydrophobicContact CB-CB 3.7Å; L240-P255 WeakPolarHBondContact O-CA 3.13Å; P255-D257 PolarHBondContact O-N 2.89Å
256L85.9Confident82.8Confident14 Ų1473.6 Ų73.67%0.07341%0.41CS..PPolyproline II helixtrans-61.6135.5177.3-67.7164.4000110.6V211 L240 S258 F265 L270V211-L256 HydrophobicContact CG1-CB 3.92Å; V211-L256 HydrophobicContact CG2-CB 4.33Å; L240-L256 HydrophobicContact CB-CD1 3.84Å; L240-L256 PolarHBondContact O-N 3.06Å; L256-S258 PolarHBondContact O-N 3.32Å; L256-F265 HydrophobicContact CD2-CD1 3.26Å; L256-F265 HydrophobicContact CD2-CD2 3.99Å; L256-F265 HydrophobicContact CD2-CE1 3.24Å; L256-F265 HydrophobicContact CD2-CE2 3.98Å; L256-F265 HydrophobicContact CD2-CG 3.65Å; L256-F265 HydrophobicContact CD2-CZ 3.62Å; L256-L270 HydrophobicContact CD1-CD1 3.82Å; L256-L270 HydrophobicContact CD1-CD2 3.62Å; L256-L270 HydrophobicContact CD1-CG 4.4Å
257D85.5Confident83.2Confident83 Ų8371.2 Ų71.244%0.44439%0.393SS..PPolyproline II helixtrans-66.4125.9176.41803.4000110.1V211 P255 N259 E260V211-D257 VanDerWaalsContact CB-O 3.24Å; V211-D257 WeakPolarHBondContact CB-O 3.33Å; V211-D257 WeakPolarHBondContact CG2-O 3.4Å; P255-D257 PolarHBondContact O-N 2.89Å; D257-N259 PolarHBondContact O-N 3.1Å; D257-N259 PolarHBondContact OD1-N 3.21Å; D257-N259 VanDerWaalsContact OD1-N 3.08Å; D257-E260 HydrophobicContact CB-CB 4.49Å; D257-E260 HydrophobicContact CB-CG 3.98Å; D257-E260 PolarHBondContact O-N 3.26Å
258S86.8Confident83.9Confident26 Ų2673.8 Ų73.818%0.18241%0.409CS..THydrogen-bonded Turntrans-63.9-24.7-175.7-55.30000112.8H212 L256H212-S258 VanDerWaalsContact CB-O 3.28Å; H212-S258 WeakPolarHBondContact CB-O 3.34Å; H212-S258 PolarHBondContact N-O 3.4Å; L256-S258 PolarHBondContact O-N 3.32Å
259N87Confident84.5Confident111 Ų11167.6 Ų67.659%0.59438%0.381SS*.THydrogen-bonded Turntrans-87.7-14.5-178.6-71.3-50.1000114.3D257D257-N259 PolarHBondContact O-N 3.1Å; D257-N259 PolarHBondContact OD1-N 3.21Å; D257-N259 VanDerWaalsContact OD1-N 3.08Å
260E88.7Confident84.8Confident58 Ų5865.4 Ų65.427%0.27137%0.368SS..SBendtrans-80.1147.3-176.7-69.6-149.4125.300112.4R210 V211 D257 K264 F265R210-E260 CarbonylContact C-O 3.48Å; R210-E260 WeakPolarHBondContact CA-O 3.28Å; V211-E260 WeakPolarHBondContact CG2-O 3.46Å; V211-E260 PolarHBondContact N-O 2.97Å; D257-E260 HydrophobicContact CB-CB 4.49Å; D257-E260 HydrophobicContact CB-CG 3.98Å; D257-E260 PolarHBondContact O-N 3.26Å; E260-K264 IonicContact OE1-NZ 2.72Å; E260-K264 PolarHBondContact OE1-NZ 3.17Å; E260-F265 HydrophobicContact CB-CE2 3.86Å; E260-F265 HydrophobicContact CB-CZ 3.9Å; E260-F265 WeakPolarHBondContact OE2-CZ 3.49Å
261P89.1Confident85.1Confident26 Ų2663.8 Ų63.817%0.16936%0.359CS..BIsolated β-bridgetrans-78.3143.6176.933.3-35.4000111.2A209 H263 K264A209-P261 WeakPolarHBondContact O-CA 3.36Å; P261-H263 VanDerWaalsContact C-N 3.29Å; P261-H263 VanDerWaalsContact CB-CE1 3.43Å; P261-H263 WeakPolarHBondContact CB-CE1 2.91Å; P261-H263 VanDerWaalsContact CG-CE1 3.4Å; P261-H263 WeakPolarHBondContact CG-CE1 3.46Å; P261-H263 PolarHBondContact O-N 3.17Å; P261-K264 HydrophobicContact CG-CD 4.13Å; P261-K264 HydrophobicContact CG-CG 4.08Å; P261-K264 PolarHBondContact O-N 2.98Å
262I88.1Confident85.7Confident2 Ų258 Ų581%0.0132%0.323CS..G310 helixtrans-68.2-24.9-167.7-163.4126.8000115K183 I185 T205 A207 A209 L214 K264 F265K183-I262 HydrophobicContact CD-CG1 4.28Å; I185-I262 HydrophobicContact CD1-CD1 3.45Å; I185-I262 VanDerWaalsContact CD1-CD1 3.45Å; I185-I262 HydrophobicContact CD1-CG1 3.85Å; T205-I262 HydrophobicContact CG2-CD1 4.37Å; T205-I262 HydrophobicContact CG2-CG2 4.01Å; A207-I262 WeakPolarHBondContact O-CG2 3.37Å; A209-I262 PolarHBondContact O-N 2.94Å; L214-I262 HydrophobicContact CB-CD1 4.03Å; L214-I262 HydrophobicContact CD2-CD1 3.1Å; L214-I262 HydrophobicContact CG-CD1 4.03Å; I262-K264 PolarHBondContact O-N 2.82Å; I262-F265 PolarHBondContact O-N 2.91Å; I262-F265 VanDerWaalsContact O-N 3.15Å
263H84.8Confident85.8Confident104 Ų10452.9 Ų52.948%0.48130%0.297SS..G310 helixtrans-65.4-18.2177.465.5-93.3000114A207 P261 F265A207-H263 HydrophobicContact CB-CB 4.2Å; A207-H263 VanDerWaalsContact O-CB 3.3Å; A207-H263 WeakPolarHBondContact O-CB 3.4Å; A207-H263 PolarHBondContact O-N 3.15Å; A207-H263 PolarHBondContact O-ND1 3.18Å; P261-H263 VanDerWaalsContact C-N 3.29Å; P261-H263 VanDerWaalsContact CB-CE1 3.43Å; P261-H263 WeakPolarHBondContact CB-CE1 2.91Å; P261-H263 VanDerWaalsContact CG-CE1 3.4Å; P261-H263 WeakPolarHBondContact CG-CE1 3.46Å; P261-H263 PolarHBondContact O-N 3.17Å; H263-F265 VanDerWaalsContact C-N 3.26Å
264K85.7Confident86.1Confident119 Ų11951 Ų5152%0.51729%0.29SS..G310 helixtrans-67.3-31.7174-74.2-174.4-177.4-1720111.9E260 P261 I262E260-K264 IonicContact OE1-NZ 2.72Å; E260-K264 PolarHBondContact OE1-NZ 3.17Å; P261-K264 HydrophobicContact CG-CD 4.13Å; P261-K264 HydrophobicContact CG-CG 4.08Å; P261-K264 PolarHBondContact O-N 2.98Å; I262-K264 PolarHBondContact O-N 2.82Å
265F83Confident85.6Confident35 Ų3549.8 Ų49.815%0.15428%0.275CS..  trans-85.9131.2-178.5-55.8-69000109.2K183 V211 L256 E260 I262 H263 F267K183-F265 PolarHBondContact NZ-O 3.06Å; V211-F265 HydrophobicContact CG2-CD2 4.09Å; V211-F265 HydrophobicContact CG2-CE2 3.58Å; V211-F265 HydrophobicContact CG2-CZ 4.49Å; L256-F265 HydrophobicContact CD2-CD1 3.26Å; L256-F265 HydrophobicContact CD2-CD2 3.99Å; L256-F265 HydrophobicContact CD2-CE1 3.24Å; L256-F265 HydrophobicContact CD2-CE2 3.98Å; L256-F265 HydrophobicContact CD2-CG 3.65Å; L256-F265 HydrophobicContact CD2-CZ 3.62Å; E260-F265 HydrophobicContact CB-CE2 3.86Å; E260-F265 HydrophobicContact CB-CZ 3.9Å; E260-F265 WeakPolarHBondContact OE2-CZ 3.49Å; I262-F265 PolarHBondContact O-N 2.91Å; I262-F265 VanDerWaalsContact O-N 3.15Å; H263-F265 VanDerWaalsContact C-N 3.26Å; F265-F267 HydrophobicContact CB-CD2 4.21Å
266G80.3Confident84.2Confident74 Ų7456.9 Ų56.976%0.76330%0.295SS*.  trans-85.7-10.3177.500000114.1
267F82.8Confident81.8Confident88 Ų8860.9 Ų60.939%0.38632%0.324SS..  trans-75.4136.3-172-47.3-72.4000112K183 I242 F265 L270K183-F267 WeakPolarHBondContact CE-O 3.16Å; K183-F267 PolarHBondContact NZ-O 2.83Å; I242-F267 HydrophobicContact CD1-CD1 4.39Å; I242-F267 HydrophobicContact CD1-CD2 3.76Å; I242-F267 HydrophobicContact CD1-CE1 4.1Å; I242-F267 HydrophobicContact CD1-CE2 3.43Å; I242-F267 VanDerWaalsContact CD1-CE2 3.43Å; I242-F267 HydrophobicContact CD1-CG 4.24Å; I242-F267 HydrophobicContact CD1-CZ 3.62Å; I242-F267 HydrophobicContact CG1-CD2 4.02Å; I242-F267 HydrophobicContact CG1-CE2 4.21Å; I242-F267 HydrophobicContact CG1-CG 4.29Å; I242-F267 HydrophobicContact CG2-CD1 4.27Å; I242-F267 HydrophobicContact CG2-CG 4.46Å; F265-F267 HydrophobicContact CB-CD2 4.21Å; F267-L270 HydrophobicContact CB-CD2 4.34Å
268S85.4Confident79.6Confident62 Ų6262 Ų6243%0.43434%0.339SS..SBendtrans-96.9-17.8173.148.80000112.7I185 D186I185-S268 CarbonylContact C-O 3.53Å; I185-S268 WeakPolarHBondContact CA-O 3.33Å; I185-S268 WeakPolarHBondContact CG2-O 3.45Å; D186-S268 PolarHBondContact N-O 3.45Å
269T89.6Confident77.7Confident10 Ų1066.8 Ų66.86%0.06137%0.369CS..EExtended strand (participates in β ladder)trans-117.5121.6-173.1-46.20000109D186 Y188 A243 E244 D245D186-T269 WeakPolarHBondContact O-CA 3.35Å; Y188-T269 HydrophobicContact CD2-CG2 3.8Å; Y188-T269 HydrophobicContact CE2-CG2 3.49Å; Y188-T269 VanDerWaalsContact CE2-CG2 3.49Å; A243-T269 HydrophobicContact CB-CG2 4.38Å; A243-T269 PolarHBondContact N-O 3.06Å; A243-T269 WeakPolarHBondContact O-CB 3.47Å; E244-T269 WeakPolarHBondContact O-CG2 3.42Å; D245-T269 PolarHBondContact OD1-OG1 3.1Å
270L90.5Very high75.4Confident3 Ų365.3 Ų65.32%0.01638%0.38CS..EExtended strand (participates in β ladder)trans-134.9157.2-177-63.3179.8000110.4I185 D186 V187 Y188 L214 L240 H241 I242 L256 F267I185-L270 HydrophobicContact CD1-CD1 4.47Å; I185-L270 HydrophobicContact CG2-CB 4.2Å; I185-L270 HydrophobicContact CG2-CD1 3.77Å; I185-L270 HydrophobicContact CG2-CG 3.89Å; D186-L270 PolarHBondContact O-N 3.13Å; V187-L270 CarbonylContact C-O 3.58Å; V187-L270 VanDerWaalsContact CA-O 3.26Å; V187-L270 WeakPolarHBondContact CA-O 3.31Å; Y188-L270 PolarHBondContact N-O 3.21Å; L214-L270 HydrophobicContact CD2-CD1 4.24Å; L240-L270 HydrophobicContact CB-CD1 4.42Å; L240-L270 HydrophobicContact CD1-CD1 4.16Å; L240-L270 HydrophobicContact CD2-CB 4.23Å; H241-L270 CarbonylContact O-C 3.57Å; H241-L270 VanDerWaalsContact O-CA 3.31Å; H241-L270 WeakPolarHBondContact O-CA 3.34Å; H241-L270 WeakPolarHBondContact O-CD2 3.08Å; I242-L270 HydrophobicContact CG1-CD2 4.38Å; L256-L270 HydrophobicContact CD1-CD1 3.82Å; L256-L270 HydrophobicContact CD1-CD2 3.62Å; L256-L270 HydrophobicContact CD1-CG 4.4Å; F267-L270 HydrophobicContact CB-CD2 4.34Å
271A89.2Confident72.9Confident1 Ų170.1 Ų70.11%0.00841%0.407CS..EExtended strand (participates in β ladder)trans-116.4131.2170.500000111.1Y188 L240 H241 A243 V249Y188-A271 CarbonylContact O-C 3.51Å; Y188-A271 VanDerWaalsContact O-CA 3.25Å; Y188-A271 WeakPolarHBondContact O-CA 3.43Å; L240-A271 WeakPolarHBondContact CA-O 3.17Å; H241-A271 PolarHBondContact N-O 2.87Å; H241-A271 PolarHBondContact O-N 2.62Å; A243-A271 HydrophobicContact CB-CB 3.82Å; V249-A271 HydrophobicContact CG2-CB 3.73Å
272L88.8Confident70.4Confident2 Ų274.7 Ų74.71%0.0143%0.434CS..EExtended strand (participates in β ladder)trans-82.7122.1169.5-170.575.6000109.2V187 Y188 L189 S190 I215 I218 Y238 L240V187-L272 HydrophobicContact CG1-CB 4.1Å; Y188-L272 PolarHBondContact O-N 3.35Å; L189-L272 HydrophobicContact CD2-CB 4.39Å; L189-L272 HydrophobicContact CD2-CD2 3.93Å; S190-L272 PolarHBondContact N-O 3.45Å; I215-L272 HydrophobicContact CG2-CD1 4.03Å; I218-L272 HydrophobicContact CG2-CD2 3.95Å; Y238-L272 HydrophobicContact CD1-CD2 4.21Å; Y238-L272 HydrophobicContact CD1-CG 4.22Å; Y238-L272 HydrophobicContact CG-CD1 4.39Å; L240-L272 HydrophobicContact CD2-CB 4.27Å; L240-L272 HydrophobicContact CD2-CD1 3.92Å; L240-L272 HydrophobicContact CG-CD1 4.38Å
273V84.8Confident68Low34 Ų3478.6 Ų78.621%0.20646%0.462CS..EExtended strand (participates in β ladder)trans-124.9136.1-179.7-176.20000108.7Y238 C239 K275Y238-V273 CarbonylContact C-O 3.53Å; Y238-V273 WeakPolarHBondContact CA-O 3.27Å; C239-V273 PolarHBondContact N-O 3.28Å; C239-V273 PolarHBondContact O-N 3.17Å; V273-K275 PolarHBondContact O-N 2.84Å
274E83.4Confident65.9Low61 Ų6184 Ų8429%0.28548%0.478SS..EExtended strand (participates in β ladder)trans-76119.7177.5-165.8176.2-17400110.9M191 A237 Y238 Y276M191-E274 HydrophobicContact CE-CB 4.04Å; M191-E274 HydrophobicContact SD-CB 3.93Å; M191-E274 VanDerWaalsContact SD-OE2 3.37Å; A237-E274 CarbonylContact O-C 3.48Å; A237-E274 VanDerWaalsContact O-CA 3.28Å; A237-E274 WeakPolarHBondContact O-CA 3Å; A237-E274 VanDerWaalsContact O-CG 3.27Å; A237-E274 WeakPolarHBondContact O-CG 3.49Å; Y238-E274 HydrophobicContact CD1-CB 3.96Å; Y238-E274 HydrophobicContact CD1-CG 4.09Å; Y238-E274 HydrophobicContact CE1-CB 3.9Å; Y238-E274 HydrophobicContact CE1-CG 3.76Å; E274-Y276 PolarHBondContact O-N 3.47Å
275K71.4Confident63.6Low73 Ų7385.3 Ų85.332%0.31749%0.486SS..  trans-7698.9162.1-66.1173.8174138.60108.1E236 A237 Y238 C239 V273 S277E236-K275 WeakPolarHBondContact O-CD 3.27Å; A237-K275 CarbonylContact C-O 3.36Å; A237-K275 WeakPolarHBondContact CA-O 3.43Å; A237-K275 CarbonylContact O-C 3.55Å; A237-K275 WeakPolarHBondContact O-CA 3.4Å; A237-K275 PolarHBondContact O-N 3.35Å; Y238-K275 WeakPolarHBondContact O-CD 3.39Å; Y238-K275 PolarHBondContact O-NZ 3.25Å; C239-K275 HydrophobicContact CB-CD 4.25Å; C239-K275 VanDerWaalsContact CB-CE 3.42Å; C239-K275 HydrophobicContact CB-CG 4.09Å; C239-K275 WeakPolarHBondContact SG-CG 3.42Å; V273-K275 PolarHBondContact O-N 2.84Å; K275-S277 PolarHBondContact O-N 3Å
276Y57.2Low61.9Low208 Ų20885.9 Ų85.982%0.81650%0.495SS*.  trans-40.9120.4175.6-63.1-89.5000113.8E274E274-Y276 PolarHBondContact O-N 3.47Å
277S36.5Very low61Low98 Ų9884 Ų8469%0.68547%0.467SS*.  trans-96.3124.5155.8-149.80000107.5K275K275-S277 PolarHBondContact O-N 3Å
278S38.3Very low60Low107 Ų10781.8 Ų81.875%0.74846%0.457SS*.SBendtrans-57171.4-167.257.60000116.9
279P46.2Very low59.5Low127 Ų12778.9 Ų78.983%0.82544%0.437SS*.  cis-130.2131-16.930.9-11.2000112.6
280G39Very low58.8Low80 Ų8079.5 Ų79.583%0.82544%0.438SS*.  trans129.882.2162.700000115.1
281L37.6Very low58.3Low158 Ų15879.4 Ų79.483%0.82744%0.437SS*.SBend-171.8128107.3-159.658.7000108.6
282T35.8Very low57.5Low122 Ų12280.1 Ų80.175%0.74844%0.441SS*.  trans52.681.1177.164.10000117.1R284T282-R284 PolarHBondContact O-N 3.37Å
283S38.4Very low56.7Low85 Ų8581 Ų8159%0.59445%0.449SS*.  -48.7139.1120.162.70000105.5Q285S283-Q285 PolarHBondContact O-N 3.09Å
284R39.5Very low55.4Low217 Ų21783.1 Ų83.182%0.81947%0.47SS*.  trans-49.7107.6142.9-87.1-177.8167.1155.7-2.6102.4T282 S286T282-R284 PolarHBondContact O-N 3.37Å; R284-S286 PolarHBondContact O-N 3.38Å; R284-S286 PolarHBondContact O-OG 3.03Å
285Q39Very low54.1Low147 Ų14788 Ų8869%0.68749%0.492SS*.  trans-62.583.8168.1-81.1-174.5-23.300102.1S283 L287S283-Q285 PolarHBondContact O-N 3.09Å; Q285-L287 PolarHBondContact O-N 3.44Å
286S47.2Very low53.6Low47 Ų4786.3 Ų86.333%0.32950%0.495SS..  trans-61.7100.8164.431.50000101R284 F288 V302R284-S286 PolarHBondContact O-N 3.38Å; R284-S286 PolarHBondContact O-OG 3.03Å; S286-F288 VanDerWaalsContact CB-CE2 3.48Å; S286-F288 WeakPolarHBondContact O-CD2 3.27Å; S286-F288 WeakPolarHBondContact O-CE2 3.22Å; S286-F288 PolarHBondContact O-N 2.94Å; S286-F288 WeakPolarHBondContact OG-CE2 3.25Å; S286-F288 WeakPolarHBondContact OG-CZ 3.41Å; S286-V302 CarbonylContact C-O 3.58Å; S286-V302 WeakPolarHBondContact CA-O 3.29Å
287L59.5Low54.2Low33 Ų3377.5 Ų77.517%0.17346%0.462CS..EExtended strand (participates in β ladder)trans-68.7120.9176.2-73.4145.4000104.5Q285 V302 S304 L305Q285-L287 PolarHBondContact O-N 3.44Å; L287-V302 HydrophobicContact CB-CB 4.23Å; L287-V302 PolarHBondContact N-O 2.86Å; L287-V302 WeakPolarHBondContact O-CA 3.44Å; L287-V302 WeakPolarHBondContact O-CB 3.4Å; L287-V302 PolarHBondContact O-N 3Å; L287-S304 VanDerWaalsContact CD1-C 3.41Å; L287-L305 HydrophobicContact CD1-CB 4.32Å; L287-L305 HydrophobicContact CD1-CD2 4Å; L287-L305 HydrophobicContact CD1-CG 3.63Å; L287-L305 VanDerWaalsContact CD1-N 3.26Å; L287-L305 HydrophobicContact CD2-CD2 3.51Å; L287-L305 HydrophobicContact CD2-CG 3.83Å; L287-L305 HydrophobicContact CG-CD2 4.25Å; L287-L305 HydrophobicContact CG-CG 4.33Å
288F63.7Low55.7Low43 Ų4373.6 Ų73.619%0.18943%0.434CS..EExtended strand (participates in β ladder)trans-100.9126.6-179.4-66.2-81.1000109.4S286 I300 P301 L386S286-F288 VanDerWaalsContact CB-CE2 3.48Å; S286-F288 WeakPolarHBondContact O-CD2 3.27Å; S286-F288 WeakPolarHBondContact O-CE2 3.22Å; S286-F288 PolarHBondContact O-N 2.94Å; S286-F288 WeakPolarHBondContact OG-CE2 3.25Å; S286-F288 WeakPolarHBondContact OG-CZ 3.41Å; F288-I300 WeakPolarHBondContact CA-O 3.47Å; F288-P301 HydrophobicContact CD1-CB 4.14Å; F288-P301 HydrophobicContact CE1-CB 3.62Å; F288-P301 HydrophobicContact CZ-CB 4.43Å; F288-L386 HydrophobicContact CD1-CD1 4.08Å; F288-L386 HydrophobicContact CD1-CD2 3.94Å; F288-L386 HydrophobicContact CD2-CD1 3.64Å; F288-L386 HydrophobicContact CE1-CD1 3.62Å; F288-L386 HydrophobicContact CE1-CD2 3.36Å; F288-L386 HydrophobicContact CE1-CG 4.13Å; F288-L386 HydrophobicContact CE2-CD1 3.15Å; F288-L386 HydrophobicContact CE2-CD2 4.5Å; F288-L386 HydrophobicContact CE2-CG 4.42Å; F288-L386 HydrophobicContact CG-CD1 4.09Å; F288-L386 HydrophobicContact CZ-CD1 3.15Å; F288-L386 HydrophobicContact CZ-CD2 3.72Å; F288-L386 HydrophobicContact CZ-CG 4.03Å
289V74.6Confident57.2Low0 Ų069.3 Ų69.30%040%0.403CS..EExtended strand (participates in β ladder)trans-99.9119.4173.4-178.60000107.9I291 I300 V302 I312 L349 L355 F357V289-I291 HydrophobicContact CG1-CG1 4.22Å; V289-I300 PolarHBondContact N-O 3.44Å; V289-I300 PolarHBondContact O-N 2.92Å; V289-V302 HydrophobicContact CB-CG2 4.42Å; V289-V302 HydrophobicContact CG2-CG2 3.71Å; V289-I312 HydrophobicContact CB-CG2 4.37Å; V289-I312 HydrophobicContact CG1-CG2 3.96Å; V289-I312 HydrophobicContact CG2-CD1 4.06Å; V289-L349 HydrophobicContact CG2-CD1 3.79Å; V289-L349 HydrophobicContact CG2-CD2 3.45Å; V289-L349 VanDerWaalsContact CG2-CD2 3.45Å; V289-L349 HydrophobicContact CG2-CG 4.28Å; V289-L355 CarbonylContact C-O 3.55Å; V289-L355 WeakPolarHBondContact CA-O 3.29Å; V289-L355 HydrophobicContact CG2-CD2 4.5Å; V289-F357 HydrophobicContact CG1-CD2 3.37Å; V289-F357 HydrophobicContact CG1-CE2 3.64Å
290R75.1Confident58.6Low23 Ų2363.4 Ų63.49%0.08736%0.364CS..EExtended strand (participates in β ladder)trans-82.9123175.2-179.2178.6176.8165.72.7108.9N292 F297 L299 L355 E356 F357 D374R290-N292 PolarHBondContact NE-OD1 2.86Å; R290-F297 HydrophobicContact CG-CB 4.36Å; R290-F297 HydrophobicContact CG-CD2 4.41Å; R290-L299 HydrophobicContact CB-CD2 3.94Å; R290-L299 HydrophobicContact CG-CD2 4.26Å; R290-L355 PolarHBondContact N-O 3.3Å; R290-E356 HydrophobicContact CB-CG 4.3Å; R290-E356 WeakPolarHBondContact O-CA 3.45Å; R290-F357 PolarHBondContact O-N 3.44Å; R290-D374 IonicContact CZ-OD2 3.03Å; R290-D374 IonicContact NH2-OD2 3.94Å; R290-D374 PolarHBondContact NH2-OD2 2.92Å
291I78.8Confident60Low1 Ų162.2 Ų62.21%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-116.8105176.3-58-169.9000109.4V289 F297 S298 I300 I312 A316 L333 F357 L359V289-I291 HydrophobicContact CG1-CG1 4.22Å; I291-F297 CarbonylContact O-C 3.5Å; I291-F297 VanDerWaalsContact O-CA 3.29Å; I291-F297 WeakPolarHBondContact O-CA 3.44Å; I291-S298 PolarHBondContact N-O 2.57Å; I291-S298 PolarHBondContact O-N 2.93Å; I291-I300 HydrophobicContact CD1-CD1 3.34Å; I291-I300 HydrophobicContact CD1-CG1 4.22Å; I291-I300 HydrophobicContact CG1-CD1 4.15Å; I291-I312 HydrophobicContact CD1-CG2 3.73Å; I291-A316 HydrophobicContact CD1-CB 3.58Å; I291-L333 HydrophobicContact CD1-CD2 4.18Å; I291-L333 HydrophobicContact CG2-CD2 4.25Å; I291-F357 CarbonylContact C-O 3.55Å; I291-F357 VanDerWaalsContact CA-O 3.27Å; I291-F357 WeakPolarHBondContact CA-O 3.46Å; I291-L359 HydrophobicContact CG2-CB 3.59Å
292N73.3Confident61.7Low16 Ų1654.7 Ų54.79%0.08630%0.303CS..EExtended strand (participates in β ladder)trans-78.2140.3175.1-65.7-27.7000110.2R290 F297 Q336 F357 C358 L359R290-N292 PolarHBondContact NE-OD1 2.86Å; N292-F297 WeakPolarHBondContact OD1-CB 3.38Å; N292-Q336 PolarHBondContact ND2-NE2 2.8Å; N292-Q336 PolarHBondContact ND2-OE1 2.8Å; N292-F357 PolarHBondContact N-O 2.99Å; N292-C358 CarbonylContact O-C 3.6Å; N292-C358 VanDerWaalsContact O-CA 3.28Å; N292-C358 WeakPolarHBondContact O-CA 3.43Å; N292-C358 PolarHBondContact O-SG 2.92Å; N292-L359 PolarHBondContact O-N 3.37Å
293A71.7Confident63.2Low22 Ų2254.6 Ų54.618%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-137173.2174.400000109.7H295 G296A293-H295 PolarHBondContact O-N 3.23Å; A293-G296 WeakPolarHBondContact CA-O 3.5Å; A293-G296 PolarHBondContact N-O 3.26Å; A293-G296 PolarHBondContact O-N 3.36Å; A293-G296 VanDerWaalsContact O-O 3.12Å
294A57.7Low64.7Low78 Ų7852.8 Ų52.865%0.64529%0.285SS*.THydrogen-bonded Turntrans-56.9-17.3-176.700000115.4
295H55.7Low66.1Low163 Ų16345.5 Ų45.576%0.75526%0.262SS*.THydrogen-bonded Turntrans-133.333-175.7-53-47.9000113A293A293-H295 PolarHBondContact O-N 3.23Å
296G61Low67.8Low37 Ų3745.5 Ų45.538%0.38126%0.26SS..EExtended strand (participates in β ladder)trans127.5-174177.700000113.2A293A293-G296 WeakPolarHBondContact CA-O 3.5Å; A293-G296 PolarHBondContact N-O 3.26Å; A293-G296 PolarHBondContact O-N 3.36Å; A293-G296 VanDerWaalsContact O-O 3.12Å
297F69.1Low69.4Low24 Ų2444.1 Ų44.111%0.10525%0.249CC..EExtended strand (participates in β ladder)trans-116.2162.5-178.666.5-87.7000112.4R290 I291 N292 L299 I377 M385R290-F297 HydrophobicContact CG-CB 4.36Å; R290-F297 HydrophobicContact CG-CD2 4.41Å; I291-F297 CarbonylContact O-C 3.5Å; I291-F297 VanDerWaalsContact O-CA 3.29Å; I291-F297 WeakPolarHBondContact O-CA 3.44Å; N292-F297 WeakPolarHBondContact OD1-CB 3.38Å; F297-L299 HydrophobicContact CD2-CD2 4.49Å; F297-L299 HydrophobicContact CD2-CG 4.19Å; F297-L299 HydrophobicContact CE2-CD1 4.22Å; F297-L299 HydrophobicContact CE2-CG 4.11Å; F297-I377 HydrophobicContact CZ-CD1 4.25Å; F297-M385 HydrophobicContact CE2-CE 3.79Å; F297-M385 HydrophobicContact CZ-CE 3.72Å; F297-M385 HydrophobicContact CZ-SD 4.35Å
298S68.1Low70.6Confident16 Ų1644.5 Ų44.511%0.11225%0.253CS..EExtended strand (participates in β ladder)trans-133.5125.4176.9-64.80000109.4I291I291-S298 PolarHBondContact N-O 2.57Å; I291-S298 PolarHBondContact O-N 2.93Å
299L70.8Confident71.4Confident17 Ų1742.5 Ų42.59%0.08924%0.244CC..EExtended strand (participates in β ladder)trans-91.9123.4174.3-65.4171.8000109.9R290 F297 K319 V382 M385R290-L299 HydrophobicContact CB-CD2 3.94Å; R290-L299 HydrophobicContact CG-CD2 4.26Å; F297-L299 HydrophobicContact CD2-CD2 4.49Å; F297-L299 HydrophobicContact CD2-CG 4.19Å; F297-L299 HydrophobicContact CE2-CD1 4.22Å; F297-L299 HydrophobicContact CE2-CG 4.11Å; L299-K319 PolarHBondContact O-NZ 2.88Å; L299-V382 HydrophobicContact CD1-CG1 4.42Å; L299-M385 HydrophobicContact CD1-CE 4.16Å; L299-M385 HydrophobicContact CD1-SD 4.39Å
300I74.5Confident71.8Confident2 Ų247.5 Ų47.51%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-108.3119.5-179-59.6-170.9000110F288 V289 I291 V302 I312 K315 A316F288-I300 WeakPolarHBondContact CA-O 3.47Å; V289-I300 PolarHBondContact N-O 3.44Å; V289-I300 PolarHBondContact O-N 2.92Å; I291-I300 HydrophobicContact CD1-CD1 3.34Å; I291-I300 HydrophobicContact CD1-CG1 4.22Å; I291-I300 HydrophobicContact CG1-CD1 4.15Å; I300-V302 HydrophobicContact CG2-CG2 4.25Å; I300-I312 HydrophobicContact CD1-CG2 4.22Å; I300-I312 VanDerWaalsContact CD1-O 3.27Å; I300-I312 WeakPolarHBondContact CD1-O 3.26Å; I300-K315 HydrophobicContact CD1-CB 4.12Å; I300-K315 HydrophobicContact CG2-CB 3.76Å; I300-K315 HydrophobicContact CG2-CD 3.76Å; I300-K315 HydrophobicContact CG2-CG 4.41Å; I300-A316 VanDerWaalsContact CD1-CA 3.48Å; I300-A316 HydrophobicContact CD1-CB 3.52Å; I300-A316 VanDerWaalsContact CD1-N 3.33Å
301P69.2Low72Confident56 Ų5650.8 Ų50.836%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-69.6129.6170.925.7-30.1000111F288 K315F288-P301 HydrophobicContact CD1-CB 4.14Å; F288-P301 HydrophobicContact CE1-CB 3.62Å; F288-P301 HydrophobicContact CZ-CB 4.43Å; P301-K315 PolarHBondContact O-NZ 2.59Å
302V72.2Confident72.1Confident0 Ų050.8 Ų50.80%028%0.282CS..EExtended strand (participates in β ladder)trans-128.1132.7177.2-167.80000108.5S286 L287 V289 I300 S304 V307 I312S286-V302 CarbonylContact C-O 3.58Å; S286-V302 WeakPolarHBondContact CA-O 3.29Å; L287-V302 HydrophobicContact CB-CB 4.23Å; L287-V302 PolarHBondContact N-O 2.86Å; L287-V302 WeakPolarHBondContact O-CA 3.44Å; L287-V302 WeakPolarHBondContact O-CB 3.4Å; L287-V302 PolarHBondContact O-N 3Å; V289-V302 HydrophobicContact CB-CG2 4.42Å; V289-V302 HydrophobicContact CG2-CG2 3.71Å; I300-V302 HydrophobicContact CG2-CG2 4.25Å; V302-S304 VanDerWaalsContact C-N 3.34Å; V302-S304 WeakPolarHBondContact CG1-O 3.32Å; V302-V307 HydrophobicContact CG1-CB 3.44Å; V302-V307 VanDerWaalsContact CG1-CB 3.44Å; V302-V307 HydrophobicContact CG1-CG1 3.9Å; V302-V307 HydrophobicContact CG1-CG2 3.32Å; V302-I312 HydrophobicContact CG2-CG1 4.28Å
303D68.1Low72.5Confident119 Ų11950.8 Ų50.864%0.63628%0.282SS*.SBendtrans-81.7-15.7-174.8-54.9-59.7000112.9
304S69.9Low72.8Confident47 Ų4755.5 Ų55.533%0.32930%0.3SS..  trans-160.8151.9-177.2-176.80000111.6L287 V302 K306 V307L287-S304 VanDerWaalsContact CD1-C 3.41Å; V302-S304 VanDerWaalsContact C-N 3.34Å; V302-S304 WeakPolarHBondContact CG1-O 3.32Å; S304-K306 PolarHBondContact O-N 3.22Å; S304-K306 PolarHBondContact OG-N 3.3Å; S304-V307 WeakPolarHBondContact O-CG2 3.45Å; S304-V307 PolarHBondContact O-N 3.5Å
305L69.4Low73.8Confident65 Ų6555.1 Ų55.134%0.3428%0.284SS..THydrogen-bonded Turntrans-67.2-14.4175.4-67.5169.3000112L287 V307 L349 E350 L355L287-L305 HydrophobicContact CD1-CB 4.32Å; L287-L305 HydrophobicContact CD1-CD2 4Å; L287-L305 HydrophobicContact CD1-CG 3.63Å; L287-L305 VanDerWaalsContact CD1-N 3.26Å; L287-L305 HydrophobicContact CD2-CD2 3.51Å; L287-L305 HydrophobicContact CD2-CG 3.83Å; L287-L305 HydrophobicContact CG-CD2 4.25Å; L287-L305 HydrophobicContact CG-CG 4.33Å; L305-V307 PolarHBondContact O-N 3.46Å; L305-L349 HydrophobicContact CD2-CD2 4.12Å; L305-L349 HydrophobicContact CD2-CG 4.43Å; L305-L349 WeakPolarHBondContact O-CB 3.47Å; L305-L349 PolarHBondContact O-N 2.94Å; L305-E350 HydrophobicContact CB-CG 3.3Å; L305-E350 WeakPolarHBondContact CB-OE1 3.25Å; L305-E350 HydrophobicContact CD1-CG 4.35Å; L305-E350 HydrophobicContact CG-CG 4.39Å; L305-E350 WeakPolarHBondContact O-CG 3.27Å; L305-E350 PolarHBondContact O-N 2.92Å; L305-E350 VanDerWaalsContact O-N 3.1Å; L305-L355 HydrophobicContact CD2-CD2 4.23Å
306K74.9Confident74.7Confident146 Ų14647.6 Ų47.664%0.63525%0.25SS*.THydrogen-bonded Turntrans-76-1.8178.9-61.8-175.1180-179.20114.6S304 E350S304-K306 PolarHBondContact O-N 3.22Å; S304-K306 PolarHBondContact OG-N 3.3Å; K306-E350 VanDerWaalsContact CG-OE1 3.26Å; K306-E350 WeakPolarHBondContact CG-OE1 3.33Å
307V80.2Confident75.3Confident19 Ų1947.9 Ų47.912%0.11524%0.243CC..  trans-67.7141-179.5170.90000110.8V302 S304 L305 E311 I312 L349V302-V307 HydrophobicContact CG1-CB 3.44Å; V302-V307 VanDerWaalsContact CG1-CB 3.44Å; V302-V307 HydrophobicContact CG1-CG1 3.9Å; V302-V307 HydrophobicContact CG1-CG2 3.32Å; S304-V307 WeakPolarHBondContact O-CG2 3.45Å; S304-V307 PolarHBondContact O-N 3.5Å; L305-V307 PolarHBondContact O-N 3.46Å; V307-E311 HydrophobicContact CG1-CB 3.82Å; V307-E311 WeakPolarHBondContact CG1-OE2 3.15Å; V307-I312 HydrophobicContact CG1-CD1 4.25Å; V307-I312 HydrophobicContact CG1-CG1 3.95Å; V307-L349 PolarHBondContact O-N 3.28Å
308T83.9Confident75.4Confident41 Ų4155.1 Ų55.125%0.25227%0.274SS..BIsolated β-bridgetrans-74.7145.6179.660.20000111.3K310 E311 I312T308-K310 PolarHBondContact O-N 3.45Å; T308-E311 PolarHBondContact O-N 2.91Å; T308-E311 WeakPolarHBondContact OG1-CG 3.38Å; T308-E311 PolarHBondContact OG1-N 3.48Å; T308-I312 PolarHBondContact O-N 2.75Å
309M81.8Confident75.3Confident0 Ų060.5 Ų60.50%030%0.295CS..Hα-helixtrans-61.8-27.4177.2-66.9-55.7-58.700112.1I312 L313 L333 V343 S347 L349 Q352 F357M309-I312 HydrophobicContact CE-CD1 4.39Å; M309-I312 PolarHBondContact O-N 3.23Å; M309-I312 HydrophobicContact SD-CD1 3.73Å; M309-L313 WeakPolarHBondContact O-CB 3.45Å; M309-L313 PolarHBondContact O-N 3.07Å; M309-L333 HydrophobicContact CE-CD1 3.81Å; M309-V343 HydrophobicContact CB-CG1 4.21Å; M309-V343 HydrophobicContact CE-CG1 4.05Å; M309-V343 HydrophobicContact CG-CG1 3.76Å; M309-S347 WeakPolarHBondContact CG-O 3.26Å; M309-S347 PolarHBondContact N-O 3.48Å; M309-L349 HydrophobicContact SD-CB 4.33Å; M309-L349 HydrophobicContact SD-CD1 3.97Å; M309-Q352 HydrophobicContact CG-CG 4.16Å; M309-Q352 HydrophobicContact SD-CG 4.16Å; M309-F357 HydrophobicContact CE-CD1 3.78Å; M309-F357 HydrophobicContact CE-CD2 3.97Å; M309-F357 HydrophobicContact CE-CE1 3.51Å; M309-F357 HydrophobicContact CE-CE2 3.72Å; M309-F357 HydrophobicContact CE-CG 3.99Å; M309-F357 HydrophobicContact CE-CZ 3.47Å; M309-F357 VanDerWaalsContact CE-CZ 3.47Å; M309-F357 HydrophobicContact SD-CE1 4.38Å; M309-F357 HydrophobicContact SD-CE2 4.36Å; M309-F357 HydrophobicContact SD-CZ 3.96Å
310K81.5Confident75.1Confident106 Ų10663.3 Ų63.346%0.46131%0.305SS..Hα-helixtrans-59.8-44.4170.3-171.3175.5-175.3172.70113.6T308 L313 Q314 L345T308-K310 PolarHBondContact O-N 3.45Å; K310-L313 PolarHBondContact O-N 3.42Å; K310-Q314 WeakPolarHBondContact O-CG 3.42Å; K310-Q314 PolarHBondContact O-N 3.28Å; K310-L345 HydrophobicContact CB-CB 4.22Å; K310-L345 WeakPolarHBondContact CB-O 3.4Å; K310-L345 PolarHBondContact N-O 3.37Å
311E80.7Confident73.9Confident92 Ų9273.4 Ų73.443%0.4335%0.349SS..Hα-helixtrans-67-39.5177.4-79.1176.5-153.400111.7V307 T308 Q314 K315V307-E311 HydrophobicContact CG1-CB 3.82Å; V307-E311 WeakPolarHBondContact CG1-OE2 3.15Å; T308-E311 PolarHBondContact O-N 2.91Å; T308-E311 WeakPolarHBondContact OG1-CG 3.38Å; T308-E311 PolarHBondContact OG1-N 3.48Å; E311-Q314 PolarHBondContact O-N 3.01Å; E311-K315 WeakPolarHBondContact O-CB 3.05Å; E311-K315 WeakPolarHBondContact O-CG 3.28Å; E311-K315 PolarHBondContact O-N 2.79Å
312I81.5Confident72.9Confident0 Ų074.4 Ų74.40%037%0.369CS..Hα-helixtrans-61.4-46.7175.4-70163.1000110.3V289 I291 I300 V302 V307 T308 M309 Q314 K315 A316 L349V289-I312 HydrophobicContact CB-CG2 4.37Å; V289-I312 HydrophobicContact CG1-CG2 3.96Å; V289-I312 HydrophobicContact CG2-CD1 4.06Å; I291-I312 HydrophobicContact CD1-CG2 3.73Å; I300-I312 HydrophobicContact CD1-CG2 4.22Å; I300-I312 VanDerWaalsContact CD1-O 3.27Å; I300-I312 WeakPolarHBondContact CD1-O 3.26Å; V302-I312 HydrophobicContact CG2-CG1 4.28Å; V307-I312 HydrophobicContact CG1-CD1 4.25Å; V307-I312 HydrophobicContact CG1-CG1 3.95Å; T308-I312 PolarHBondContact O-N 2.75Å; M309-I312 HydrophobicContact CE-CD1 4.39Å; M309-I312 PolarHBondContact O-N 3.23Å; M309-I312 HydrophobicContact SD-CD1 3.73Å; I312-Q314 PolarHBondContact O-N 3.06Å; I312-K315 PolarHBondContact O-N 3.02Å; I312-A316 WeakPolarHBondContact O-CB 3.28Å; I312-A316 PolarHBondContact O-N 2.85Å; I312-L349 HydrophobicContact CD1-CB 4.09Å; I312-L349 HydrophobicContact CD1-CD1 4.05Å; I312-L349 HydrophobicContact CD1-CD2 4.24Å; I312-L349 HydrophobicContact CD1-CG 4.37Å
313L81.4Confident71.6Confident16 Ų1677 Ų778%0.08439%0.387CS..Hα-helixtrans-59.1-45.5175.1177.858.5000111.8M309 K310 K315 A316 L317 L333 L345 L359M309-L313 WeakPolarHBondContact O-CB 3.45Å; M309-L313 PolarHBondContact O-N 3.07Å; K310-L313 PolarHBondContact O-N 3.42Å; L313-K315 PolarHBondContact O-N 2.93Å; L313-A316 VanDerWaalsContact O-CB 3.32Å; L313-A316 WeakPolarHBondContact O-CB 3.39Å; L313-A316 PolarHBondContact O-N 3.19Å; L313-L317 HydrophobicContact CD1-CD1 3.96Å; L313-L317 HydrophobicContact CD1-CG 4.09Å; L313-L317 HydrophobicContact CG-CD1 4.03Å; L313-L317 VanDerWaalsContact O-CG 3.29Å; L313-L317 WeakPolarHBondContact O-CG 3.01Å; L313-L317 PolarHBondContact O-N 2.88Å; L313-L333 HydrophobicContact CB-CD1 3.86Å; L313-L333 HydrophobicContact CB-CG 4.4Å; L313-L333 HydrophobicContact CD1-CD1 4.46Å; L313-L333 HydrophobicContact CD1-CD2 4.38Å; L313-L333 HydrophobicContact CD1-CG 4.11Å; L313-L345 HydrophobicContact CD2-CD1 4.21Å; L313-L345 HydrophobicContact CD2-CD2 3.8Å; L313-L359 HydrophobicContact CD1-CD1 3.36Å
314Q77.9Confident70.4Confident121 Ų12179.3 Ų79.357%0.56539%0.394SS*.Hα-helixtrans-64-41.3177.9-75-175.3-9.900112.5K310 E311 I312 A316 L317 K318K310-Q314 WeakPolarHBondContact O-CG 3.42Å; K310-Q314 PolarHBondContact O-N 3.28Å; E311-Q314 PolarHBondContact O-N 3.01Å; I312-Q314 PolarHBondContact O-N 3.06Å; Q314-A316 VanDerWaalsContact C-N 3.31Å; Q314-A316 PolarHBondContact O-N 2.8Å; Q314-L317 PolarHBondContact O-N 2.63Å; Q314-K318 VanDerWaalsContact O-CB 3.28Å; Q314-K318 WeakPolarHBondContact O-CB 3.32Å; Q314-K318 PolarHBondContact O-N 2.77Å
315K77.8Confident69.1Low71 Ų7187.5 Ų87.531%0.30942%0.424SS..Hα-helixtrans-62.4-38.9173.9-76.8179.7172.6-178.20111.3I300 P301 E311 I312 L313 K318 K319I300-K315 HydrophobicContact CD1-CB 4.12Å; I300-K315 HydrophobicContact CG2-CB 3.76Å; I300-K315 HydrophobicContact CG2-CD 3.76Å; I300-K315 HydrophobicContact CG2-CG 4.41Å; P301-K315 PolarHBondContact O-NZ 2.59Å; E311-K315 WeakPolarHBondContact O-CB 3.05Å; E311-K315 WeakPolarHBondContact O-CG 3.28Å; E311-K315 PolarHBondContact O-N 2.79Å; I312-K315 PolarHBondContact O-N 3.02Å; L313-K315 PolarHBondContact O-N 2.93Å; K315-K318 PolarHBondContact O-N 2.84Å; K315-K319 PolarHBondContact O-N 2.84Å
316A75.1Confident68Low4 Ų488.6 Ų88.63%0.03345%0.45CS..Hα-helixtrans-62.1-48.4176.300000111.6I291 I300 I312 L313 Q314 R320I291-A316 HydrophobicContact CD1-CB 3.58Å; I300-A316 VanDerWaalsContact CD1-CA 3.48Å; I300-A316 HydrophobicContact CD1-CB 3.52Å; I300-A316 VanDerWaalsContact CD1-N 3.33Å; I312-A316 WeakPolarHBondContact O-CB 3.28Å; I312-A316 PolarHBondContact O-N 2.85Å; L313-A316 VanDerWaalsContact O-CB 3.32Å; L313-A316 WeakPolarHBondContact O-CB 3.39Å; L313-A316 PolarHBondContact O-N 3.19Å; Q314-A316 VanDerWaalsContact C-N 3.31Å; Q314-A316 PolarHBondContact O-N 2.8Å; A316-R320 PolarHBondContact O-N 2.79Å
317L74.1Confident66.5Low43 Ų4387.4 Ų87.423%0.22546%0.46CS..Hα-helixtrans-69.7-34.7179.8-65.7174.4000111.8L313 Q314 R320 Y331 L359L313-L317 HydrophobicContact CD1-CD1 3.96Å; L313-L317 HydrophobicContact CD1-CG 4.09Å; L313-L317 HydrophobicContact CG-CD1 4.03Å; L313-L317 VanDerWaalsContact O-CG 3.29Å; L313-L317 WeakPolarHBondContact O-CG 3.01Å; L313-L317 PolarHBondContact O-N 2.88Å; Q314-L317 PolarHBondContact O-N 2.63Å; L317-R320 CarbonylContact O-C 3.48Å; L317-R320 PolarHBondContact O-N 3.27Å; L317-Y331 HydrophobicContact CD2-CD2 3.5Å; L317-Y331 HydrophobicContact CD2-CE2 3.89Å; L317-Y331 HydrophobicContact CD2-CG 4.02Å; L317-L359 HydrophobicContact CD2-CD2 4.24Å
318K70.8Confident65.1Low177 Ų17788.1 Ų88.177%0.7747%0.472SS*.Hα-helixtrans-68-39.1176.7-173.3-179.6179.1-175.50112.4Q314 K315 R320Q314-K318 VanDerWaalsContact O-CB 3.28Å; Q314-K318 WeakPolarHBondContact O-CB 3.32Å; Q314-K318 PolarHBondContact O-N 2.77Å; K315-K318 PolarHBondContact O-N 2.84Å; K318-R320 PolarHBondContact O-N 2.97Å
319K66.3Low63.6Low128 Ų12888.2 Ų88.256%0.55747%0.473SS*.Hα-helixtrans-62.7-25.8173.1-85.3-164.3167.6-169.70112.1L299 K315 K321L299-K319 PolarHBondContact O-NZ 2.88Å; K315-K319 PolarHBondContact O-N 2.84Å; K319-K321 PolarHBondContact O-N 3.33Å
320R64.9Low62.7Low77 Ų7794.4 Ų94.429%0.29150%0.503SS..SBendtrans-94.181.2174.8-163.7179.9-68.5172.5-1.7110A316 L317 K318 G322A316-R320 PolarHBondContact O-N 2.79Å; L317-R320 CarbonylContact O-C 3.48Å; L317-R320 PolarHBondContact O-N 3.27Å; K318-R320 PolarHBondContact O-N 2.97Å; R320-G322 PolarHBondContact O-N 3.3Å
321K49.5Very low62.3Low214 Ų21491.7 Ų91.793%0.9349%0.491SS*.THydrogen-bonded Turntrans-58.7104.2172.4-91.2-176.7177.2174.90109.5K319K319-K321 PolarHBondContact O-N 3.33Å
322G49.5Very low62.1Low76 Ų7691.1 Ų91.178%0.78448%0.484SS*.THydrogen-bonded Turntrans168.7-19.8-176.800000113.4R320R320-G322 PolarHBondContact O-N 3.3Å
323S45.1Very low62Low54 Ų5491.1 Ų91.138%0.37849%0.485SS..  trans-9597.2171.4-161.10000110.2
324Q41.9Very low62.1Low169 Ų16990.5 Ų90.579%0.7948%0.481SS*.  trans-63.5141.8169.9-71.2-142-32.900110.4G326Q324-G326 PolarHBondContact O-N 2.98Å; Q324-G326 VanDerWaalsContact O-N 3.12Å
325K42Very low62.3Low219 Ų21986.8 Ų86.895%0.95246%0.463SS*.THydrogen-bonded Turntrans-48.9118171.9-78.7-179.9173.6-179.60109.9
326G46.7Very low61.7Low87 Ų8785.6 Ų85.690%0.89746%0.459SS*.THydrogen-bonded Turntrans101.4-8.1159.300000117.7Q324Q324-G326 PolarHBondContact O-N 2.98Å; Q324-G326 VanDerWaalsContact O-N 3.12Å
327S44.8Very low61.2Low121 Ų12192.9 Ų92.985%0.84649%0.494SS*.SBendtrans-152.739.1176.4-172.70000112.3
328G49.2Very low60.9Low34 Ų3495.2 Ų95.235%0.35150%0.504SS..SBendtrans-91.3155.2170.500000110.9M330G328-M330 PolarHBondContact O-N 3.39Å
329P53.9Low60.6Low43 Ų4390.4 Ų90.428%0.27949%0.491SS..PPolyproline II helixtrans-55.1136171.223.7-33.2000111.3Y331 R361P329-Y331 HydrophobicContact CB-CE2 4.41Å; P329-Y331 HydrophobicContact CG-CE2 3.8Å; P329-Y331 WeakPolarHBondContact O-CD2 3.32Å; P329-Y331 WeakPolarHBondContact O-CE2 3.48Å; P329-R361 HydrophobicContact CB-CG 4.02Å; P329-R361 VanDerWaalsContact CB-NE 3.27Å; P329-R361 VanDerWaalsContact CG-CZ 3.45Å
330M62.8Low60.5Low130 Ų13090.1 Ų90.164%0.6450%0.495SS*.PPolyproline II helixtrans-72.5133.3-179.9-157.1154.6-157.900108.6G328 E362G328-M330 PolarHBondContact O-N 3.39Å; M330-E362 HydrophobicContact CB-CB 4.36Å; M330-E362 VanDerWaalsContact CB-CD 3.43Å; M330-E362 HydrophobicContact CB-CG 3.9Å; M330-E362 WeakPolarHBondContact CB-OE2 3.34Å; M330-E362 HydrophobicContact CG-CG 4.28Å; M330-E362 WeakPolarHBondContact CG-OE1 3.47Å; M330-E362 PolarHBondContact O-N 3.28Å
331Y72.4Confident60.8Low49 Ų4990.3 Ų90.319%0.19251%0.505CS..EExtended strand (participates in β ladder)trans-116.5139.8-178.4-70.2-87.5000109.1L317 P329 L359 V360 R361L317-Y331 HydrophobicContact CD2-CD2 3.5Å; L317-Y331 HydrophobicContact CD2-CE2 3.89Å; L317-Y331 HydrophobicContact CD2-CG 4.02Å; P329-Y331 HydrophobicContact CB-CE2 4.41Å; P329-Y331 HydrophobicContact CG-CE2 3.8Å; P329-Y331 WeakPolarHBondContact O-CD2 3.32Å; P329-Y331 WeakPolarHBondContact O-CE2 3.48Å; Y331-L359 HydrophobicContact CD1-CD1 4.29Å; Y331-L359 HydrophobicContact CD1-CD2 4.22Å; Y331-L359 HydrophobicContact CD1-CG 3.9Å; Y331-L359 HydrophobicContact CG-CD1 4.25Å; Y331-L359 HydrophobicContact CG-CG 4.32Å; Y331-V360 CarbonylContact C-O 3.47Å; Y331-V360 WeakPolarHBondContact CA-O 3.5Å; Y331-R361 HydrophobicContact CD1-CB 4.17Å; Y331-R361 HydrophobicContact CE1-CB 4Å
332R76.9Confident61.9Low80 Ų8083 Ų8330%0.30248%0.484SS..EExtended strand (participates in β ladder)trans-112.2144.9171.468.6-175.3-170.5-170.54.4110.1E334 V360R332-E334 HydrophobicContact CG-CG 4.4Å; R332-E334 IonicContact CZ-OE1 2.74Å; R332-E334 IonicContact NE-OE1 3.48Å; R332-E334 PolarHBondContact NE-OE1 3.32Å; R332-E334 IonicContact NH2-OE1 3.74Å; R332-E334 PolarHBondContact NH2-OE1 3.29Å; R332-V360 HydrophobicContact CG-CB 4.17Å; R332-V360 PolarHBondContact N-O 3.3Å; R332-V360 PolarHBondContact O-N 3.08Å
333L79.9Confident63.4Low1 Ų179.8 Ų79.81%0.00545%0.449CS..EExtended strand (participates in β ladder)trans-89.6134.4168.5-71.7173.6000108.6I291 M309 L313 A342 V343 F357 C358 L359I291-L333 HydrophobicContact CD1-CD2 4.18Å; I291-L333 HydrophobicContact CG2-CD2 4.25Å; M309-L333 HydrophobicContact CE-CD1 3.81Å; L313-L333 HydrophobicContact CB-CD1 3.86Å; L313-L333 HydrophobicContact CB-CG 4.4Å; L313-L333 HydrophobicContact CD1-CD1 4.46Å; L313-L333 HydrophobicContact CD1-CD2 4.38Å; L313-L333 HydrophobicContact CD1-CG 4.11Å; L333-A342 CarbonylContact O-C 3.54Å; L333-A342 WeakPolarHBondContact O-CA 3.43Å; L333-V343 HydrophobicContact CB-CB 4.29Å; L333-V343 PolarHBondContact O-N 2.89Å; L333-F357 HydrophobicContact CD2-CB 4.32Å; L333-C358 CarbonylContact C-O 3.54Å; L333-C358 WeakPolarHBondContact CA-O 3.33Å; L333-L359 HydrophobicContact CD2-CB 4.38Å; L333-L359 HydrophobicContact CD2-CD1 3.79Å; L333-L359 HydrophobicContact CG-CD1 4.45Å
334E83.4Confident65Low3 Ų381.9 Ų81.91%0.01446%0.456CS..EExtended strand (participates in β ladder)trans-119.1154.2171.7-62.1-178.8-166.400108.7R332 N340 V341 F357 C358 V360R332-E334 HydrophobicContact CG-CG 4.4Å; R332-E334 IonicContact CZ-OE1 2.74Å; R332-E334 IonicContact NE-OE1 3.48Å; R332-E334 PolarHBondContact NE-OE1 3.32Å; R332-E334 IonicContact NH2-OE1 3.74Å; R332-E334 PolarHBondContact NH2-OE1 3.29Å; E334-N340 PolarHBondContact OE2-N 2.84Å; E334-V341 WeakPolarHBondContact CA-O 3.24Å; E334-F357 CarbonylContact O-C 3.53Å; E334-F357 VanDerWaalsContact O-CA 3.26Å; E334-F357 WeakPolarHBondContact O-CA 3.24Å; E334-F357 WeakPolarHBondContact O-CB 3.48Å; E334-C358 PolarHBondContact N-O 3.36Å; E334-C358 PolarHBondContact O-N 3.01Å; E334-V360 HydrophobicContact CG-CG2 4.18Å
335K80.3Confident66.7Low42 Ų4276.8 Ų76.818%0.18343%0.434CS..EExtended strand (participates in β ladder)trans-73.4145.2170.6-65.7-178-172.6166.90109.6M337 E338 V343 F357K335-M337 PolarHBondContact O-N 2.84Å; K335-E338 HydrophobicContact CB-CB 4.24Å; K335-E338 WeakPolarHBondContact CD-OE2 3.45Å; K335-E338 IonicContact NZ-OE2 2.98Å; K335-E338 PolarHBondContact NZ-OE2 2.77Å; K335-E338 PolarHBondContact O-N 2.76Å; K335-V343 HydrophobicContact CG-CG2 3.79Å; K335-F357 HydrophobicContact CG-CD1 4.42Å; K335-F357 HydrophobicContact CG-CE1 4.27Å
336Q66.9Low68.3Low47 Ų4772.3 Ų72.322%0.2242%0.421CS..SBendtrans-58.9-38.2177.9-176.169.26.600112.3N292 E356 R366N292-Q336 PolarHBondContact ND2-NE2 2.8Å; N292-Q336 PolarHBondContact ND2-OE1 2.8Å; Q336-E356 HydrophobicContact CB-CB 3.95Å; Q336-E356 PolarHBondContact N-O 3.02Å; Q336-R366 VanDerWaalsContact CD-NH2 3.34Å; Q336-R366 PolarHBondContact O-NH1 3.06Å; Q336-R366 VanDerWaalsContact O-NH1 3.12Å
337M63.3Low70Confident157 Ų15769 Ų6977%0.77338%0.383SS*.SBendtrans-85-19-176-63.1-65.8-72.400114.5K335 P339K335-M337 PolarHBondContact O-N 2.84Å; M337-P339 WeakPolarHBondContact O-CD 3.44Å
338E69.2Low71.9Confident92 Ų9265.6 Ų65.643%0.4336%0.358SS..SBendtrans-123.581.1-177.2-65.3176.3170.200109.7K335 V341K335-E338 HydrophobicContact CB-CB 4.24Å; K335-E338 WeakPolarHBondContact CD-OE2 3.45Å; K335-E338 IonicContact NZ-OE2 2.98Å; K335-E338 PolarHBondContact NZ-OE2 2.77Å; K335-E338 PolarHBondContact O-N 2.76Å; E338-V341 HydrophobicContact CB-CB 4.47Å; E338-V341 HydrophobicContact CB-CG2 4.45Å; E338-V341 PolarHBondContact O-N 2.83Å
339P63.5Low73.3Confident76 Ų7664.1 Ų64.149%0.49434%0.342SS..THydrogen-bonded Turntrans-64.5141.4-178.825.8-32.9000111.3M337 V341M337-P339 WeakPolarHBondContact O-CD 3.44Å; P339-V341 VanDerWaalsContact C-N 3.34Å
340N63.4Low74.3Confident122 Ų12266.8 Ų66.865%0.65235%0.351SS*.THydrogen-bonded Turntrans73.84-177.6-57.5-59000117.4E334E334-N340 PolarHBondContact OE2-N 2.84Å
341V72.8Confident75Confident80 Ų8063.9 Ų63.949%0.48534%0.343SS..  trans-99.7112.2171.8-176.50000109.1E334 E338 P339E334-V341 WeakPolarHBondContact CA-O 3.24Å; E338-V341 HydrophobicContact CB-CB 4.47Å; E338-V341 HydrophobicContact CB-CG2 4.45Å; E338-V341 PolarHBondContact O-N 2.83Å; P339-V341 VanDerWaalsContact C-N 3.34Å
342A72.8Confident75Confident60 Ų6062.6 Ų62.650%0.49634%0.339SS..BIsolated β-bridgetrans-69.2131.9175.400000110.1L333L333-A342 CarbonylContact O-C 3.54Å; L333-A342 WeakPolarHBondContact O-CA 3.43Å
343V79.6Confident74.7Confident10 Ų1066.2 Ų66.26%0.06136%0.364CS..PPolyproline II helixtrans-74.4131.5172.9177.20000109M309 L333 K335 L345 Q352 F357M309-V343 HydrophobicContact CB-CG1 4.21Å; M309-V343 HydrophobicContact CE-CG1 4.05Å; M309-V343 HydrophobicContact CG-CG1 3.76Å; L333-V343 HydrophobicContact CB-CB 4.29Å; L333-V343 PolarHBondContact O-N 2.89Å; K335-V343 HydrophobicContact CG-CG2 3.79Å; V343-L345 PolarHBondContact O-N 2.79Å; V343-Q352 HydrophobicContact CG1-CG 3.9Å; V343-F357 HydrophobicContact CG1-CE1 4.49Å; V343-F357 HydrophobicContact CG2-CD1 3.92Å; V343-F357 HydrophobicContact CG2-CE1 3.99Å
344D78.9Confident74.3Confident98 Ų9868.1 Ų68.152%0.52438%0.376SS..PPolyproline II helixtrans-63.7124.5175-178.615.7000110.7D346 S347D344-D346 VanDerWaalsContact C-N 3.31Å; D344-D346 PolarHBondContact O-N 2.97Å; D344-D346 PolarHBondContact OD1-N 3.5Å; D344-S347 WeakPolarHBondContact O-CB 3.47Å; D344-S347 PolarHBondContact O-N 3.07Å; D344-S347 PolarHBondContact O-OG 2.9Å
345L77.4Confident73.8Confident61 Ų6171.6 Ų71.632%0.31939%0.394SS..THydrogen-bonded Turntrans-74-24.2-174.1-63.9178.4000112.8K310 L313 V343 S347K310-L345 HydrophobicContact CB-CB 4.22Å; K310-L345 WeakPolarHBondContact CB-O 3.4Å; K310-L345 PolarHBondContact N-O 3.37Å; L313-L345 HydrophobicContact CD2-CD1 4.21Å; L313-L345 HydrophobicContact CD2-CD2 3.8Å; V343-L345 PolarHBondContact O-N 2.79Å; L345-S347 VanDerWaalsContact C-N 3.29Å
346D76.9Confident73.6Confident125 Ų12573.5 Ų73.567%0.66840%0.404SS*.THydrogen-bonded Turntrans-85.5-6.5178.1-65.9-31.2000112.2D344D344-D346 VanDerWaalsContact C-N 3.31Å; D344-D346 PolarHBondContact O-N 2.97Å; D344-D346 PolarHBondContact OD1-N 3.5Å
347S82.6Confident74.3Confident17 Ų1771.3 Ų71.312%0.11939%0.393CS..SBendtrans-78.9155.1174.879.30000112.7M309 D344 L345 S351 Q352M309-S347 WeakPolarHBondContact CG-O 3.26Å; M309-S347 PolarHBondContact N-O 3.48Å; D344-S347 WeakPolarHBondContact O-CB 3.47Å; D344-S347 PolarHBondContact O-N 3.07Å; D344-S347 PolarHBondContact O-OG 2.9Å; L345-S347 VanDerWaalsContact C-N 3.29Å; S347-S351 WeakPolarHBondContact CB-OG 3.28Å; S347-Q352 PolarHBondContact OG-NE2 3.27Å
348T84.7Confident75.1Confident50 Ų5064.1 Ų64.131%0.30736%0.359SS..BIsolated β-bridgetrans-88.8154.7176.858.70000111.4E350 S351T348-E350 PolarHBondContact O-N 3.26Å; T348-S351 PolarHBondContact N-OG 2.96Å; T348-S351 WeakPolarHBondContact O-CB 3.29Å; T348-S351 PolarHBondContact O-N 3.4Å; T348-S351 PolarHBondContact O-OG 3.45Å
349L77.9Confident75.6Confident4 Ų460.2 Ų60.22%0.02134%0.341CS..Hα-helixtrans-57.7-33.2176.3-179.468.3000112.5V289 L305 V307 M309 I312 S351 Q352 L355 F357V289-L349 HydrophobicContact CG2-CD1 3.79Å; V289-L349 HydrophobicContact CG2-CD2 3.45Å; V289-L349 VanDerWaalsContact CG2-CD2 3.45Å; V289-L349 HydrophobicContact CG2-CG 4.28Å; L305-L349 HydrophobicContact CD2-CD2 4.12Å; L305-L349 HydrophobicContact CD2-CG 4.43Å; L305-L349 WeakPolarHBondContact O-CB 3.47Å; L305-L349 PolarHBondContact O-N 2.94Å; V307-L349 PolarHBondContact O-N 3.28Å; M309-L349 HydrophobicContact SD-CB 4.33Å; M309-L349 HydrophobicContact SD-CD1 3.97Å; I312-L349 HydrophobicContact CD1-CB 4.09Å; I312-L349 HydrophobicContact CD1-CD1 4.05Å; I312-L349 HydrophobicContact CD1-CD2 4.24Å; I312-L349 HydrophobicContact CD1-CG 4.37Å; L349-S351 VanDerWaalsContact C-N 3.29Å; L349-S351 PolarHBondContact O-N 3.45Å; L349-Q352 PolarHBondContact O-N 2.91Å; L349-L355 HydrophobicContact CD1-CD2 4.2Å; L349-L355 HydrophobicContact CD2-CD2 3.87Å; L349-L355 HydrophobicContact CG-CD2 4.15Å; L349-F357 HydrophobicContact CD1-CE2 3.59Å; L349-F357 HydrophobicContact CD1-CZ 3.84Å
350E75.3Confident76.1Confident99 Ų9957 Ų5746%0.46332%0.319SS..Hα-helixtrans-55.4-40.5171.2-71.1175.8-171.300112.9L305 K306 T348 Q352L305-E350 HydrophobicContact CB-CG 3.3Å; L305-E350 WeakPolarHBondContact CB-OE1 3.25Å; L305-E350 HydrophobicContact CD1-CG 4.35Å; L305-E350 HydrophobicContact CG-CG 4.39Å; L305-E350 WeakPolarHBondContact O-CG 3.27Å; L305-E350 PolarHBondContact O-N 2.92Å; L305-E350 VanDerWaalsContact O-N 3.1Å; K306-E350 VanDerWaalsContact CG-OE1 3.26Å; K306-E350 WeakPolarHBondContact CG-OE1 3.33Å; T348-E350 PolarHBondContact O-N 3.26Å; E350-Q352 VanDerWaalsContact C-N 3.26Å; E350-Q352 PolarHBondContact O-N 3.49Å
351S77.6Confident76.6Confident68 Ų6857.1 Ų57.148%0.47631%0.311SS..Hα-helixtrans-72.8-17.5-175.471.30000114S347 T348 L349S347-S351 WeakPolarHBondContact CB-OG 3.28Å; T348-S351 PolarHBondContact N-OG 2.96Å; T348-S351 WeakPolarHBondContact O-CB 3.29Å; T348-S351 PolarHBondContact O-N 3.4Å; T348-S351 PolarHBondContact O-OG 3.45Å; L349-S351 VanDerWaalsContact C-N 3.29Å; L349-S351 PolarHBondContact O-N 3.45Å
352Q71.6Confident76.2Confident23 Ų2357.4 Ų57.411%0.10731%0.307CS..Hα-helixtrans-88.2-17.2-177-61.3-54.6-42.800113.1M309 V343 S347 L349 E350 T354 F357M309-Q352 HydrophobicContact CG-CG 4.16Å; M309-Q352 HydrophobicContact SD-CG 4.16Å; V343-Q352 HydrophobicContact CG1-CG 3.9Å; S347-Q352 PolarHBondContact OG-NE2 3.27Å; L349-Q352 PolarHBondContact O-N 2.91Å; E350-Q352 VanDerWaalsContact C-N 3.26Å; E350-Q352 PolarHBondContact O-N 3.49Å; Q352-T354 PolarHBondContact O-N 2.92Å; Q352-T354 PolarHBondContact O-OG1 3.44Å; Q352-F357 HydrophobicContact CB-CE1 4.03Å; Q352-F357 HydrophobicContact CB-CZ 3.85Å; Q352-F357 HydrophobicContact CG-CE1 4.24Å; Q352-F357 HydrophobicContact CG-CZ 4.27Å
353N70.4Confident75.5Confident155 Ų15562.5 Ų62.583%0.82933%0.326SS*.THydrogen-bonded Turntrans52.524179.9-152.120.2000114.4
354T72.3Confident74.7Confident42 Ų4264.6 Ų64.626%0.25834%0.341SS..  trans-146.2143.6-179.759.80000110.1Q352 F357Q352-T354 PolarHBondContact O-N 2.92Å; Q352-T354 PolarHBondContact O-OG1 3.44Å; T354-F357 VanDerWaalsContact O-CE2 3.27Å; T354-F357 WeakPolarHBondContact O-CE2 3.27Å; T354-F357 WeakPolarHBondContact O-CZ 3.35Å
355L72.4Confident73.7Confident75 Ų7564.9 Ų64.939%0.39335%0.351SS..SBendtrans-102.94.3174.5-63.2174.3000112.7V289 R290 L305 L349V289-L355 CarbonylContact C-O 3.55Å; V289-L355 WeakPolarHBondContact CA-O 3.29Å; V289-L355 HydrophobicContact CG2-CD2 4.5Å; R290-L355 PolarHBondContact N-O 3.3Å; L305-L355 HydrophobicContact CD2-CD2 4.23Å; L349-L355 HydrophobicContact CD1-CD2 4.2Å; L349-L355 HydrophobicContact CD2-CD2 3.87Å; L349-L355 HydrophobicContact CG-CD2 4.15Å
356E76.1Confident72.8Confident83 Ų8366 Ų6639%0.38835%0.35SS..EExtended strand (participates in β ladder)trans-118.9121.6-176.6-56.6-165.7151.200111.4R290 Q336R290-E356 HydrophobicContact CB-CG 4.3Å; R290-E356 WeakPolarHBondContact O-CA 3.45Å; Q336-E356 HydrophobicContact CB-CB 3.95Å; Q336-E356 PolarHBondContact N-O 3.02Å
357F81.4Confident71.5Confident0 Ų062.1 Ų62.10%034%0.34CS..EExtended strand (participates in β ladder)trans-131.3158.2-178.4-58.7-85.7000110.6V289 R290 I291 N292 M309 L333 E334 K335 V343 L349 Q352 T354V289-F357 HydrophobicContact CG1-CD2 3.37Å; V289-F357 HydrophobicContact CG1-CE2 3.64Å; R290-F357 PolarHBondContact O-N 3.44Å; I291-F357 CarbonylContact C-O 3.55Å; I291-F357 VanDerWaalsContact CA-O 3.27Å; I291-F357 WeakPolarHBondContact CA-O 3.46Å; N292-F357 PolarHBondContact N-O 2.99Å; M309-F357 HydrophobicContact CE-CD1 3.78Å; M309-F357 HydrophobicContact CE-CD2 3.97Å; M309-F357 HydrophobicContact CE-CE1 3.51Å; M309-F357 HydrophobicContact CE-CE2 3.72Å; M309-F357 HydrophobicContact CE-CG 3.99Å; M309-F357 HydrophobicContact CE-CZ 3.47Å; M309-F357 VanDerWaalsContact CE-CZ 3.47Å; M309-F357 HydrophobicContact SD-CE1 4.38Å; M309-F357 HydrophobicContact SD-CE2 4.36Å; M309-F357 HydrophobicContact SD-CZ 3.96Å; L333-F357 HydrophobicContact CD2-CB 4.32Å; E334-F357 CarbonylContact O-C 3.53Å; E334-F357 VanDerWaalsContact O-CA 3.26Å; E334-F357 WeakPolarHBondContact O-CA 3.24Å; E334-F357 WeakPolarHBondContact O-CB 3.48Å; K335-F357 HydrophobicContact CG-CD1 4.42Å; K335-F357 HydrophobicContact CG-CE1 4.27Å; V343-F357 HydrophobicContact CG1-CE1 4.49Å; V343-F357 HydrophobicContact CG2-CD1 3.92Å; V343-F357 HydrophobicContact CG2-CE1 3.99Å; L349-F357 HydrophobicContact CD1-CE2 3.59Å; L349-F357 HydrophobicContact CD1-CZ 3.84Å; Q352-F357 HydrophobicContact CB-CE1 4.03Å; Q352-F357 HydrophobicContact CB-CZ 3.85Å; Q352-F357 HydrophobicContact CG-CE1 4.24Å; Q352-F357 HydrophobicContact CG-CZ 4.27Å; T354-F357 VanDerWaalsContact O-CE2 3.27Å; T354-F357 WeakPolarHBondContact O-CE2 3.27Å; T354-F357 WeakPolarHBondContact O-CZ 3.35Å
358C79.3Confident69.4Low7 Ų770.7 Ų70.75%0.04738%0.378CS..EExtended strand (participates in β ladder)trans-112.8132.8173.4-167.40000109.8N292 L333 E334 V360N292-C358 CarbonylContact O-C 3.6Å; N292-C358 VanDerWaalsContact O-CA 3.28Å; N292-C358 WeakPolarHBondContact O-CA 3.43Å; N292-C358 PolarHBondContact O-SG 2.92Å; L333-C358 CarbonylContact C-O 3.54Å; L333-C358 WeakPolarHBondContact CA-O 3.33Å; E334-C358 PolarHBondContact N-O 3.36Å; E334-C358 PolarHBondContact O-N 3.01Å; C358-V360 HydrophobicContact CB-CG2 4.5Å
359L80.1Confident67.1Low9 Ų975.7 Ų75.75%0.04740%0.398CS..EExtended strand (participates in β ladder)trans-95.7106.6176.1-173.770.5000109.5I291 N292 L313 L317 Y331 L333I291-L359 HydrophobicContact CG2-CB 3.59Å; N292-L359 PolarHBondContact O-N 3.37Å; L313-L359 HydrophobicContact CD1-CD1 3.36Å; L317-L359 HydrophobicContact CD2-CD2 4.24Å; Y331-L359 HydrophobicContact CD1-CD1 4.29Å; Y331-L359 HydrophobicContact CD1-CD2 4.22Å; Y331-L359 HydrophobicContact CD1-CG 3.9Å; Y331-L359 HydrophobicContact CG-CD1 4.25Å; Y331-L359 HydrophobicContact CG-CG 4.32Å; L333-L359 HydrophobicContact CD2-CB 4.38Å; L333-L359 HydrophobicContact CD2-CD1 3.79Å; L333-L359 HydrophobicContact CG-CD1 4.45Å
360V74.8Confident65.1Low8 Ų880.5 Ų80.55%0.04843%0.432CS..EExtended strand (participates in β ladder)trans-109.8136.4-176.9-175.60000109.7Y331 R332 E334 C358 S364Y331-V360 CarbonylContact C-O 3.47Å; Y331-V360 WeakPolarHBondContact CA-O 3.5Å; R332-V360 HydrophobicContact CG-CB 4.17Å; R332-V360 PolarHBondContact N-O 3.3Å; R332-V360 PolarHBondContact O-N 3.08Å; E334-V360 HydrophobicContact CG-CG2 4.18Å; C358-V360 HydrophobicContact CB-CG2 4.5Å; V360-S364 VanDerWaalsContact CG1-O 3.28Å; V360-S364 WeakPolarHBondContact CG1-O 3.32Å
361R73.2Confident63Low125 Ų12581.4 Ų81.447%0.47245%0.45SS..EExtended strand (participates in β ladder)trans-76.5138.2174-179177.8-177.7138.4-2.9109.3P329 Y331 N363 S364P329-R361 HydrophobicContact CB-CG 4.02Å; P329-R361 VanDerWaalsContact CB-NE 3.27Å; P329-R361 VanDerWaalsContact CG-CZ 3.45Å; Y331-R361 HydrophobicContact CD1-CB 4.17Å; Y331-R361 HydrophobicContact CE1-CB 4Å; R361-N363 PolarHBondContact O-N 2.91Å; R361-S364 WeakPolarHBondContact O-CB 3.34Å; R361-S364 PolarHBondContact O-N 3.31Å
362E64.1Low61.1Low86 Ų8686 Ų8640%0.40246%0.464SS..THydrogen-bonded Turntrans-54133.5174.3-77.8-169.2174.900111.1M330 S364M330-E362 HydrophobicContact CB-CB 4.36Å; M330-E362 VanDerWaalsContact CB-CD 3.43Å; M330-E362 HydrophobicContact CB-CG 3.9Å; M330-E362 WeakPolarHBondContact CB-OE2 3.34Å; M330-E362 HydrophobicContact CG-CG 4.28Å; M330-E362 WeakPolarHBondContact CG-OE1 3.47Å; M330-E362 PolarHBondContact O-N 3.28Å; E362-S364 VanDerWaalsContact C-N 3.3Å; E362-S364 PolarHBondContact O-N 2.97Å
363N58.1Low59.4Low167 Ų16794 Ų9489%0.89350%0.501SS*.THydrogen-bonded Turntrans66.816.9-175.1-47.6-54.7000115.9R361R361-N363 PolarHBondContact O-N 2.91Å
364S62.6Low57.9Low54 Ų5491.5 Ų91.538%0.37849%0.488SS..  trans-115.8147.6172.3-55.60000111.1V360 R361 E362V360-S364 VanDerWaalsContact CG1-O 3.28Å; V360-S364 WeakPolarHBondContact CG1-O 3.32Å; R361-S364 WeakPolarHBondContact O-CB 3.34Å; R361-S364 PolarHBondContact O-N 3.31Å; E362-S364 VanDerWaalsContact C-N 3.3Å; E362-S364 PolarHBondContact O-N 2.97Å
365S58.5Low56.4Low104 Ų10494.3 Ų94.373%0.72751%0.507SS*.  trans-86.4157.217052.10000111.2G367S365-G367 PolarHBondContact O-N 3.4Å; S365-G367 VanDerWaalsContact O-N 3.08Å
366R59.3Low54.9Low84 Ų8497.6 Ų97.632%0.31753%0.53SS..  trans-57.1111.4163.5-167167.9170.2171.9-9.1105.7Q336Q336-R366 VanDerWaalsContact CD-NH2 3.34Å; Q336-R366 PolarHBondContact O-NH1 3.06Å; Q336-R366 VanDerWaalsContact O-NH1 3.12Å
367G49Very low53.8Low44 Ų4496.3 Ų96.345%0.45453%0.525SS..  trans-54.1156.1-17800000111.2S365 E369S365-G367 PolarHBondContact O-N 3.4Å; S365-G367 VanDerWaalsContact O-N 3.08Å; G367-E369 PolarHBondContact O-N 3.35Å
368E38Very low52.2Low197 Ų197101.3 Ų101.392%0.92155%0.552SS**  trans-45.1125.2-178.3-73.6-175.5159.900111S370E368-S370 PolarHBondContact O-N 3.38Å
369E38.1Very low50.8Low155 Ų155107.6 Ų107.672%0.72458%0.584SS**  trans-58.1107.6175-69-178.7156.800108.2G367 S371G367-E369 PolarHBondContact O-N 3.35Å; E369-S371 PolarHBondContact O-N 2.88Å
370S33.9Very low49.3Very low105 Ų105111 Ų11173%0.73461%0.605SS**  trans-62.6109.2156.751.50000105.8E368 E372E368-S370 PolarHBondContact O-N 3.38Å; S370-E372 PolarHBondContact O-N 3.29Å
371S33.1Very low48.5Very low119 Ų119112.6 Ų112.683%0.83262%0.615SS**  trans-65.757-18059.70000112.4E369E369-S371 PolarHBondContact O-N 2.88Å
372E37.3Very low47.7Very low164 Ų164108.1 Ų108.177%0.76660%0.601SS**  trans-107109.8159.8-66.4-172.1179.700104.4S370 D374S370-E372 PolarHBondContact O-N 3.29Å; E372-D374 VanDerWaalsContact C-N 3.3Å; E372-D374 PolarHBondContact O-N 3.11Å
373E34.5Very low47.3Very low191 Ų191110.6 Ų110.689%0.89361%0.613SS**  trans-54.2100.9168.5-67.7179162.400106.7P375E373-P375 WeakPolarHBondContact O-CD 3.4Å; E373-P375 VanDerWaalsContact O-N 3.08Å
374D40.7Very low47.5Very low102 Ų102106.6 Ų106.655%0.54559%0.591SS.*  trans-52.8119.5171.1-90.9-17000106.1R290 E372 T376R290-D374 IonicContact CZ-OD2 3.03Å; R290-D374 IonicContact NH2-OD2 3.94Å; R290-D374 PolarHBondContact NH2-OD2 2.92Å; E372-D374 VanDerWaalsContact C-N 3.3Å; E372-D374 PolarHBondContact O-N 3.11Å; D374-T376 PolarHBondContact O-N 2.66Å
375P41.1Very low47.4Very low102 Ų102104.3 Ų104.366%0.66258%0.575SS**  trans-57.4140.3-178.923.1-32000108.3E373 I377E373-P375 WeakPolarHBondContact O-CD 3.4Å; E373-P375 VanDerWaalsContact O-N 3.08Å; P375-I377 VanDerWaalsContact C-N 3.34Å; P375-I377 VanDerWaalsContact O-CG1 3.24Å; P375-I377 WeakPolarHBondContact O-CG1 3.3Å; P375-I377 PolarHBondContact O-N 3.42Å
376T40.6Very low47.6Very low143 Ų143101.7 Ų101.788%0.87755%0.552SS**  trans-56.3100.4171.549.30000108.1D374 D378D374-T376 PolarHBondContact O-N 2.66Å; T376-D378 PolarHBondContact O-N 3.05Å; T376-D378 VanDerWaalsContact O-N 3.08Å
377I51.9Low48.1Very low57 Ų57100.2 Ų100.229%0.29256%0.555SS.*  trans-69.3108.4-174-56.2-176.7000107F297 P375 T381 V382F297-I377 HydrophobicContact CZ-CD1 4.25Å; P375-I377 VanDerWaalsContact C-N 3.34Å; P375-I377 VanDerWaalsContact O-CG1 3.24Å; P375-I377 WeakPolarHBondContact O-CG1 3.3Å; P375-I377 PolarHBondContact O-N 3.42Å; I377-T381 WeakPolarHBondContact CG2-OG1 3.48Å; I377-V382 HydrophobicContact CG2-CG2 3.63Å
378D48.1Very low49.2Very low104 Ų10498.3 Ų98.356%0.55654%0.535SS*.  trans-65.1148.3-179.1-158.82.6000110.2T376 T380 T381 V382T376-D378 PolarHBondContact O-N 3.05Å; T376-D378 VanDerWaalsContact O-N 3.08Å; D378-T380 PolarHBondContact O-N 3.48Å; D378-T381 PolarHBondContact N-OG1 2.9Å; D378-T381 VanDerWaalsContact N-OG1 3.1Å; D378-T381 WeakPolarHBondContact O-CA 3.35Å; D378-T381 PolarHBondContact O-N 3.33Å; D378-T381 PolarHBondContact O-OG1 3.17Å; D378-V382 PolarHBondContact O-N 3.32Å
379I50.8Low50.9Low140 Ų14091.7 Ų91.772%0.71850%0.504SS*.Hα-helixtrans-57.3-31.1-173.4-66.6167.6000111.5V382 Q383I379-V382 PolarHBondContact O-N 3.2Å; I379-Q383 PolarHBondContact O-N 2.83Å; I379-Q383 VanDerWaalsContact O-N 3.17Å
380T48.1Very low53Low80 Ų8090.8 Ų90.849%0.49150%0.499SS..Hα-helixtrans-61.5-4617350.90000112.3D378 V382 Q383 D384D378-T380 PolarHBondContact O-N 3.48Å; T380-V382 VanDerWaalsContact C-N 3.33Å; T380-V382 PolarHBondContact O-N 3.31Å; T380-Q383 WeakPolarHBondContact O-CB 3.27Å; T380-Q383 PolarHBondContact O-N 2.92Å; T380-D384 PolarHBondContact O-N 2.84Å
381T58Low55.5Low42 Ų4291.2 Ų91.226%0.25849%0.485SS..Hα-helixtrans-67.4-32177.558.60000112.4I377 D378 D384 M385I377-T381 WeakPolarHBondContact CG2-OG1 3.48Å; D378-T381 PolarHBondContact N-OG1 2.9Å; D378-T381 VanDerWaalsContact N-OG1 3.1Å; D378-T381 WeakPolarHBondContact O-CA 3.35Å; D378-T381 PolarHBondContact O-N 3.33Å; D378-T381 PolarHBondContact O-OG1 3.17Å; T381-D384 PolarHBondContact O-N 2.95Å; T381-M385 WeakPolarHBondContact O-CB 3.35Å; T381-M385 VanDerWaalsContact O-CG 3.25Å; T381-M385 WeakPolarHBondContact O-CG 3.37Å; T381-M385 PolarHBondContact O-N 3.15Å
382V56.1Low58.1Low31 Ų3189.5 Ų89.519%0.18846%0.463CS..Hα-helixtrans-64.6-41.3172.2-177.40000111L299 I377 D378 I379 T380 M385 L386L299-V382 HydrophobicContact CD1-CG1 4.42Å; I377-V382 HydrophobicContact CG2-CG2 3.63Å; D378-V382 PolarHBondContact O-N 3.32Å; I379-V382 PolarHBondContact O-N 3.2Å; T380-V382 VanDerWaalsContact C-N 3.33Å; T380-V382 PolarHBondContact O-N 3.31Å; V382-M385 PolarHBondContact O-N 2.89Å; V382-L386 HydrophobicContact CG1-CD1 4.01Å; V382-L386 VanDerWaalsContact O-CD1 3.27Å; V382-L386 WeakPolarHBondContact O-CD1 3.39Å; V382-L386 VanDerWaalsContact O-CG 3.22Å; V382-L386 WeakPolarHBondContact O-CG 3.28Å; V382-L386 PolarHBondContact O-N 2.79Å; V382-L386 VanDerWaalsContact O-N 3.09Å
383Q56.4Low60.7Low138 Ų13884.3 Ų84.365%0.64545%0.445SS*.Hα-helixtrans-64.6-40.6176.1-176.1170.3-16.800112I379 T380 L386 S387I379-Q383 PolarHBondContact O-N 2.83Å; I379-Q383 VanDerWaalsContact O-N 3.17Å; T380-Q383 WeakPolarHBondContact O-CB 3.27Å; T380-Q383 PolarHBondContact O-N 2.92Å; Q383-L386 PolarHBondContact O-N 2.96Å; Q383-S387 PolarHBondContact O-N 2.81Å
384D60.6Low63.5Low82 Ų8276 Ų7644%0.43941%0.406SS..Hα-helixtrans-67.9-37.2175.4-71-20.2000112.4T380 T381 L386 S387 S388 Y488T380-D384 PolarHBondContact O-N 2.84Å; T381-D384 PolarHBondContact O-N 2.95Å; D384-L386 VanDerWaalsContact C-N 3.27Å; D384-L386 PolarHBondContact O-N 3.25Å; D384-S387 PolarHBondContact O-N 2.8Å; D384-S387 PolarHBondContact O-OG 2.71Å; D384-S387 VanDerWaalsContact O-OG 3.08Å; D384-S388 WeakPolarHBondContact O-CB 3.42Å; D384-S388 PolarHBondContact O-N 3.39Å; D384-Y488 HydrophobicContact CB-CE2 4.06Å
385M61.8Low65.9Low6 Ų678.9 Ų78.93%0.0341%0.414CS..Hα-helixtrans-62-33.5172-78.3-171.472.200112.8F297 L299 T381 V382 S388 H389 Y488F297-M385 HydrophobicContact CE2-CE 3.79Å; F297-M385 HydrophobicContact CZ-CE 3.72Å; F297-M385 HydrophobicContact CZ-SD 4.35Å; L299-M385 HydrophobicContact CD1-CE 4.16Å; L299-M385 HydrophobicContact CD1-SD 4.39Å; T381-M385 WeakPolarHBondContact O-CB 3.35Å; T381-M385 VanDerWaalsContact O-CG 3.25Å; T381-M385 WeakPolarHBondContact O-CG 3.37Å; T381-M385 PolarHBondContact O-N 3.15Å; V382-M385 PolarHBondContact O-N 2.89Å; M385-S388 WeakPolarHBondContact O-CB 3.37Å; M385-S388 PolarHBondContact O-OG 3.48Å; M385-H389 PolarHBondContact O-ND1 3.12Å; M385-Y488 HydrophobicContact CB-CG 4.47Å; M385-Y488 HydrophobicContact CG-CD1 3.43Å; M385-Y488 VanDerWaalsContact CG-CD1 3.43Å; M385-Y488 HydrophobicContact CG-CD2 4.4Å; M385-Y488 HydrophobicContact CG-CE1 3.87Å; M385-Y488 HydrophobicContact CG-CG 3.73Å; M385-Y488 HydrophobicContact SD-CD1 4.37Å
386L61.8Low68.5Low49 Ų4974.3 Ų74.326%0.25738%0.383SS..Hα-helixtrans-81.9-40.9179.6-68.1159.5000111.8F288 V382 Q383 D384 S388 H389F288-L386 HydrophobicContact CD1-CD1 4.08Å; F288-L386 HydrophobicContact CD1-CD2 3.94Å; F288-L386 HydrophobicContact CD2-CD1 3.64Å; F288-L386 HydrophobicContact CE1-CD1 3.62Å; F288-L386 HydrophobicContact CE1-CD2 3.36Å; F288-L386 HydrophobicContact CE1-CG 4.13Å; F288-L386 HydrophobicContact CE2-CD1 3.15Å; F288-L386 HydrophobicContact CE2-CD2 4.5Å; F288-L386 HydrophobicContact CE2-CG 4.42Å; F288-L386 HydrophobicContact CG-CD1 4.09Å; F288-L386 HydrophobicContact CZ-CD1 3.15Å; F288-L386 HydrophobicContact CZ-CD2 3.72Å; F288-L386 HydrophobicContact CZ-CG 4.03Å; V382-L386 HydrophobicContact CG1-CD1 4.01Å; V382-L386 VanDerWaalsContact O-CD1 3.27Å; V382-L386 WeakPolarHBondContact O-CD1 3.39Å; V382-L386 VanDerWaalsContact O-CG 3.22Å; V382-L386 WeakPolarHBondContact O-CG 3.28Å; V382-L386 PolarHBondContact O-N 2.79Å; V382-L386 VanDerWaalsContact O-N 3.09Å; Q383-L386 PolarHBondContact O-N 2.96Å; D384-L386 VanDerWaalsContact C-N 3.27Å; D384-L386 PolarHBondContact O-N 3.25Å; L386-S388 PolarHBondContact O-N 3.03Å; L386-H389 PolarHBondContact O-N 2.86Å
387S69.4Low70.9Confident54 Ų5468.8 Ų68.838%0.37835%0.35SS..Hα-helixtrans-62.8-25.8172.879.30000111.5Q383 D384 H389 H390 K485Q383-S387 PolarHBondContact O-N 2.81Å; D384-S387 PolarHBondContact O-N 2.8Å; D384-S387 PolarHBondContact O-OG 2.71Å; D384-S387 VanDerWaalsContact O-OG 3.08Å; S387-H389 PolarHBondContact O-N 2.8Å; S387-H389 VanDerWaalsContact O-N 3.17Å; S387-H390 PolarHBondContact O-N 2.65Å; S387-H390 VanDerWaalsContact O-N 3.1Å; S387-K485 PolarHBondContact O-NZ 2.95Å
388S72.1Confident72.8Confident3 Ų366.3 Ų66.32%0.02134%0.338CS..THydrogen-bonded Turntrans-58.2-28.6176.483.10000113.4D384 M385 L386 K485 I489D384-S388 WeakPolarHBondContact O-CB 3.42Å; D384-S388 PolarHBondContact O-N 3.39Å; M385-S388 WeakPolarHBondContact O-CB 3.37Å; M385-S388 PolarHBondContact O-OG 3.48Å; L386-S388 PolarHBondContact O-N 3.03Å; S388-K485 WeakPolarHBondContact O-CE 3.49Å; S388-K485 PolarHBondContact O-NZ 3.01Å; S388-I489 WeakPolarHBondContact O-CD1 3.36Å
389H75Confident74.8Confident58 Ų5863.1 Ų63.127%0.26932%0.32SS..THydrogen-bonded Turntrans-78.3-21.5179.4-72.267.2000113.9M385 L386 S387 G414 S492M385-H389 PolarHBondContact O-ND1 3.12Å; L386-H389 PolarHBondContact O-N 2.86Å; S387-H389 PolarHBondContact O-N 2.8Å; S387-H389 VanDerWaalsContact O-N 3.17Å; H389-G414 PolarHBondContact O-N 2.72Å; H389-S492 PolarHBondContact CE1-OG 3.1Å; H389-S492 PolarHBondContact NE2-OG 3.03Å
390H81.4Confident76.5Confident136 Ų13658.6 Ų58.663%0.6330%0.296SS*.SBendtrans-66.8140.7176.2-62.9116.6000110.2S387 K392 K485S387-H390 PolarHBondContact O-N 2.65Å; S387-H390 VanDerWaalsContact O-N 3.1Å; H390-K392 PolarHBondContact O-N 3.49Å; H390-K485 WeakPolarHBondContact O-CE 3.44Å; H390-K485 PolarHBondContact O-NZ 3.47Å
391Y86.3Confident77.7Confident114 Ų11465.2 Ų65.245%0.44732%0.318SS..  trans-57.5125.7176.3179.8-89.7000110.2I412Y391-I412 CarbonylContact C-O 3.45Å; Y391-I412 WeakPolarHBondContact CA-O 3.36Å
392K88.1Confident78.4Confident84 Ų8470.5 Ų70.537%0.36534%0.344SS..EExtended strand (participates in β ladder)trans-135.8134.5169-172.1168174.8178.20108.9H390 F394 I412 E481 K485H390-K392 PolarHBondContact O-N 3.49Å; K392-F394 HydrophobicContact CB-CE2 4.12Å; K392-F394 HydrophobicContact CB-CZ 4.32Å; K392-F394 HydrophobicContact CD-CE1 4.12Å; K392-F394 HydrophobicContact CD-CE2 4.25Å; K392-F394 HydrophobicContact CD-CZ 3.6Å; K392-F394 HydrophobicContact CG-CE1 4.33Å; K392-F394 HydrophobicContact CG-CE2 3.87Å; K392-F394 HydrophobicContact CG-CZ 3.72Å; K392-I412 PolarHBondContact N-O 3.12Å; K392-I412 PolarHBondContact O-N 2.93Å; K392-E481 WeakPolarHBondContact CD-OE1 3.49Å; K392-E481 VanDerWaalsContact CE-OE1 3.26Å; K392-E481 WeakPolarHBondContact CE-OE1 3.17Å; K392-E481 IonicContact NZ-OE1 2.77Å; K392-E481 PolarHBondContact NZ-OE1 2.89Å; K392-E481 IonicContact NZ-OE2 2.72Å; K392-E481 PolarHBondContact NZ-OE2 2.82Å; K392-K485 HydrophobicContact CB-CD 4.43Å
393S92.3Very high79.1Confident55 Ų5579.9 Ų79.939%0.38538%0.376SS..EExtended strand (participates in β ladder)trans-107.4144.517960.20000111.7L410S393-L410 CarbonylContact C-O 3.52Å; S393-L410 VanDerWaalsContact CA-O 3.28Å; S393-L410 WeakPolarHBondContact CA-O 3.36Å
394F92.6Very high80.3Confident15 Ų1577.3 Ų77.37%0.06636%0.363CS..EExtended strand (participates in β ladder)trans-129.8134.9-179.9-57.2-91.3000109.4K392 I396 Q409 L410 I412 E481 I482 K485K392-F394 HydrophobicContact CB-CE2 4.12Å; K392-F394 HydrophobicContact CB-CZ 4.32Å; K392-F394 HydrophobicContact CD-CE1 4.12Å; K392-F394 HydrophobicContact CD-CE2 4.25Å; K392-F394 HydrophobicContact CD-CZ 3.6Å; K392-F394 HydrophobicContact CG-CE1 4.33Å; K392-F394 HydrophobicContact CG-CE2 3.87Å; K392-F394 HydrophobicContact CG-CZ 3.72Å; F394-I396 HydrophobicContact CB-CG2 3.98Å; F394-Q409 CarbonylContact O-C 3.57Å; F394-Q409 WeakPolarHBondContact O-CA 3.47Å; F394-L410 PolarHBondContact N-O 3.19Å; F394-L410 PolarHBondContact O-N 3.02Å; F394-I412 HydrophobicContact CD2-CD1 4.08Å; F394-I412 HydrophobicContact CD2-CG1 4.47Å; F394-I412 HydrophobicContact CE2-CD1 3.89Å; F394-I412 HydrophobicContact CE2-CG1 4.42Å; F394-E481 WeakPolarHBondContact CZ-OE1 3.4Å; F394-I482 HydrophobicContact CB-CD1 3.95Å; F394-I482 HydrophobicContact CB-CG1 4.49Å; F394-I482 HydrophobicContact CD1-CD1 4.01Å; F394-I482 HydrophobicContact CD1-CG1 3.89Å; F394-I482 HydrophobicContact CD2-CD1 4.11Å; F394-I482 HydrophobicContact CD2-CG1 3.74Å; F394-I482 HydrophobicContact CE1-CG1 3.93Å; F394-I482 HydrophobicContact CE2-CG1 3.8Å; F394-I482 HydrophobicContact CG-CD1 3.76Å; F394-I482 HydrophobicContact CG-CG1 3.78Å; F394-I482 HydrophobicContact CZ-CG1 3.88Å; F394-K485 HydrophobicContact CE2-CD 4.38Å
395K92.2Very high81.5Confident164 Ų16476.6 Ų76.671%0.71336%0.361SS*.EExtended strand (participates in β ladder)trans-90.5110.2171.6-69.2-180-177.8173.60108.2
396I93.9Very high82.7Confident6 Ų678 Ų783%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-140.1167.9-173.865.1179.6000110.1F394 V408 L410 F457 F472 I482F394-I396 HydrophobicContact CB-CG2 3.98Å; I396-V408 HydrophobicContact CG1-CG2 3.91Å; I396-V408 PolarHBondContact N-O 3.31Å; I396-V408 WeakPolarHBondContact O-CG2 3.35Å; I396-V408 PolarHBondContact O-N 3Å; I396-L410 HydrophobicContact CD1-CB 3.54Å; I396-L410 HydrophobicContact CD1-CD2 3.43Å; I396-L410 VanDerWaalsContact CD1-CD2 3.43Å; I396-L410 HydrophobicContact CD1-CG 4.06Å; I396-L410 HydrophobicContact CG1-CB 4.01Å; I396-F457 HydrophobicContact CD1-CE1 4.12Å; I396-F457 HydrophobicContact CD1-CZ 3.78Å; I396-F472 HydrophobicContact CD1-CB 3.87Å; I396-F472 HydrophobicContact CD1-CD1 3.44Å; I396-F472 VanDerWaalsContact CD1-CD1 3.44Å; I396-F472 HydrophobicContact CD1-CE1 4.14Å; I396-F472 HydrophobicContact CD1-CG 3.82Å; I396-F472 HydrophobicContact CG1-CD1 4.02Å; I396-I482 HydrophobicContact CD1-CD1 4.44Å; I396-I482 HydrophobicContact CG2-CD1 4.11Å
397S92.1Very high84Confident26 Ų2680.7 Ų80.718%0.18239%0.385CS..EExtended strand (participates in β ladder)trans-103.2124179-560000110.6T406 D407 F472 E473S397-T406 CarbonylContact C-O 3.57Å; S397-T406 WeakPolarHBondContact CA-O 3.17Å; S397-D407 PolarHBondContact OG-OD1 3.43Å; S397-F472 CarbonylContact O-C 3.56Å; S397-F472 VanDerWaalsContact O-CA 3.31Å; S397-F472 WeakPolarHBondContact O-CA 3.44Å; S397-E473 PolarHBondContact N-O 3.48Å; S397-E473 PolarHBondContact O-N 2.77Å
398L91.3Very high85Confident6 Ų678.1 Ų78.13%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-81.8127173.717876.1000109.9T405 T406 V408 L470 Y471 F472L398-T405 CarbonylContact O-C 3.52Å; L398-T405 VanDerWaalsContact O-CA 3.27Å; L398-T405 WeakPolarHBondContact O-CA 3.45Å; L398-T406 PolarHBondContact N-O 3.43Å; L398-T406 PolarHBondContact O-N 3.05Å; L398-V408 HydrophobicContact CB-CG1 3.96Å; L398-V408 HydrophobicContact CB-CG2 3.91Å; L398-L470 HydrophobicContact CD1-CB 4.28Å; L398-Y471 WeakPolarHBondContact CD1-O 3.28Å; L398-F472 HydrophobicContact CB-CD1 4.19Å; L398-F472 HydrophobicContact CB-CE1 4.22Å; L398-F472 HydrophobicContact CD1-CD1 3.72Å; L398-F472 HydrophobicContact CD1-CE1 3.33Å; L398-F472 HydrophobicContact CD1-CE2 4.31Å; L398-F472 HydrophobicContact CD1-CG 4.37Å; L398-F472 HydrophobicContact CD1-CZ 3.66Å; L398-F472 HydrophobicContact CG-CE1 4.34Å
399I90.4Very high86Confident37 Ų3781.1 Ų81.119%0.1938%0.381CS..EExtended strand (participates in β ladder)trans-88.5119.3177.2-50.8176.9000109.5T405 I456 Y471 E473I399-T405 HydrophobicContact CG1-CG2 4.12Å; I399-I456 HydrophobicContact CD1-CD1 3.98Å; I399-I456 HydrophobicContact CD1-CG1 4.16Å; I399-I456 HydrophobicContact CD1-CG2 3.86Å; I399-Y471 PolarHBondContact N-O 3.19Å; I399-E473 HydrophobicContact CD1-CB 4.11Å; I399-E473 HydrophobicContact CG1-CB 4.13Å
400H85.4Confident87Confident44 Ų4478.3 Ų78.320%0.20437%0.368CS..PPolyproline II helixtrans-84161.1175.6-68.5-90.7000112L402 R403 F404 T406 Q431H400-L402 PolarHBondContact O-N 2.79Å; H400-L402 VanDerWaalsContact O-N 3.07Å; H400-R403 WeakPolarHBondContact O-CA 3.18Å; H400-R403 PolarHBondContact O-N 3.1Å; H400-F404 HydrophobicContact CB-CD1 4.06Å; H400-F404 HydrophobicContact CB-CD2 4.1Å; H400-F404 HydrophobicContact CB-CE1 3.68Å; H400-F404 HydrophobicContact CB-CE2 3.73Å; H400-F404 HydrophobicContact CB-CG 4.25Å; H400-F404 HydrophobicContact CB-CZ 3.5Å; H400-F404 WeakPolarHBondContact CB-O 3.42Å; H400-F404 AromaticContact CD2-CD2 3.56Å; H400-F404 AromaticContact CD2-CE2 3.17Å; H400-F404 WeakPolarHBondContact CD2-CE2 3.19Å; H400-F404 AromaticContact CD2-CZ 3.82Å; H400-F404 PolarHBondContact CD2-O 3.29Å; H400-F404 AromaticContact CG-CD2 3.94Å; H400-F404 AromaticContact CG-CE2 3.31Å; H400-F404 AromaticContact CG-CZ 3.42Å; H400-F404 VanDerWaalsContact CG-CZ 3.42Å; H400-F404 PolarHBondContact N-O 3.23Å; H400-F404 AromaticContact ND1-CE2 3.94Å; H400-F404 AromaticContact ND1-CZ 3.88Å; H400-F404 AromaticContact NE2-CE2 3.71Å; H400-T406 VanDerWaalsContact NE2-CG2 3.32Å; H400-T406 WeakPolarHBondContact NE2-CG2 3.44Å; H400-T406 PolarHBondContact NE2-OG1 3.44Å; H400-Q431 PolarHBondContact NE2-OE1 2.81Å
401K74.6Confident87.5Confident220 Ų22071.9 Ų71.996%0.95734%0.338SS*.THydrogen-bonded Turntrans-56.1-28.1178.8-67.9-175177.6-1790113.7R403K401-R403 VanDerWaalsContact C-N 3.28Å; K401-R403 PolarHBondContact O-N 3.4Å
402L72.8Confident87.8Confident152 Ų15266.4 Ų66.480%0.79632%0.317SS*.THydrogen-bonded Turntrans-87.612.2177.1-125.376.7000113.6H400 F404H400-L402 PolarHBondContact O-N 2.79Å; H400-L402 VanDerWaalsContact O-N 3.07Å; L402-F404 VanDerWaalsContact C-N 3.25Å; L402-F404 HydrophobicContact CB-CD1 3.78Å; L402-F404 HydrophobicContact CB-CE1 3.77Å; L402-F404 PolarHBondContact O-N 3.23Å
403R70.7Confident87.8Confident228 Ų22863.1 Ų63.186%0.8630%0.304SS*.SBendtrans60.621.2179-58.7-173.1178.3174.9-1116.2H400 K401H400-R403 WeakPolarHBondContact O-CA 3.18Å; H400-R403 PolarHBondContact O-N 3.1Å; K401-R403 VanDerWaalsContact C-N 3.28Å; K401-R403 PolarHBondContact O-N 3.4Å
404F82.3Confident87.2Confident84 Ų8460.7 Ų60.737%0.36829%0.288SS..  trans-90.5154.4159.866.1-89.9000109.6H400 L402 T406 I429H400-F404 HydrophobicContact CB-CD1 4.06Å; H400-F404 HydrophobicContact CB-CD2 4.1Å; H400-F404 HydrophobicContact CB-CE1 3.68Å; H400-F404 HydrophobicContact CB-CE2 3.73Å; H400-F404 HydrophobicContact CB-CG 4.25Å; H400-F404 HydrophobicContact CB-CZ 3.5Å; H400-F404 WeakPolarHBondContact CB-O 3.42Å; H400-F404 AromaticContact CD2-CD2 3.56Å; H400-F404 AromaticContact CD2-CE2 3.17Å; H400-F404 WeakPolarHBondContact CD2-CE2 3.19Å; H400-F404 AromaticContact CD2-CZ 3.82Å; H400-F404 PolarHBondContact CD2-O 3.29Å; H400-F404 AromaticContact CG-CD2 3.94Å; H400-F404 AromaticContact CG-CE2 3.31Å; H400-F404 AromaticContact CG-CZ 3.42Å; H400-F404 VanDerWaalsContact CG-CZ 3.42Å; H400-F404 PolarHBondContact N-O 3.23Å; H400-F404 AromaticContact ND1-CE2 3.94Å; H400-F404 AromaticContact ND1-CZ 3.88Å; H400-F404 AromaticContact NE2-CE2 3.71Å; L402-F404 VanDerWaalsContact C-N 3.25Å; L402-F404 HydrophobicContact CB-CD1 3.78Å; L402-F404 HydrophobicContact CB-CE1 3.77Å; L402-F404 PolarHBondContact O-N 3.23Å; F404-T406 HydrophobicContact CD2-CG2 4.19Å; F404-T406 HydrophobicContact CE2-CG2 4.07Å; F404-I429 HydrophobicContact CZ-CD1 4.22Å
405T85.1Confident86.8Confident67 Ų6766.6 Ų66.641%0.41132%0.316SS..EExtended strand (participates in β ladder)trans-110.5145.7-179.250.30000110.8L398 I399L398-T405 CarbonylContact O-C 3.52Å; L398-T405 VanDerWaalsContact O-CA 3.27Å; L398-T405 WeakPolarHBondContact O-CA 3.45Å; I399-T405 HydrophobicContact CG1-CG2 4.12Å
406T87Confident86.7Confident37 Ų3762.5 Ų62.523%0.22730%0.298CS..EExtended strand (participates in β ladder)trans-126.9137.2171.856.50000110.9S397 L398 H400 F404 V408 Q431S397-T406 CarbonylContact C-O 3.57Å; S397-T406 WeakPolarHBondContact CA-O 3.17Å; L398-T406 PolarHBondContact N-O 3.43Å; L398-T406 PolarHBondContact O-N 3.05Å; H400-T406 VanDerWaalsContact NE2-CG2 3.32Å; H400-T406 WeakPolarHBondContact NE2-CG2 3.44Å; H400-T406 PolarHBondContact NE2-OG1 3.44Å; F404-T406 HydrophobicContact CD2-CG2 4.19Å; F404-T406 HydrophobicContact CE2-CG2 4.07Å; T406-V408 PolarHBondContact O-N 3Å; T406-Q431 PolarHBondContact OG1-OE1 2.81Å
407D88.8Confident86.6Confident105 Ų10562.2 Ų62.256%0.56130%0.296SS*.EExtended strand (participates in β ladder)trans-75.6122.9178.6-64.2-22.7000110.7S397 V422S397-D407 PolarHBondContact OG-OD1 3.43Å; D407-V422 PolarHBondContact O-N 3.08Å
408V91.5Very high86.7Confident0 Ų062.8 Ų62.80%030%0.296CS..EExtended strand (participates in β ladder)trans-129.4151.5-177.4-61.30000110.8I396 L398 T406 I419 D420 V422 F472I396-V408 HydrophobicContact CG1-CG2 3.91Å; I396-V408 PolarHBondContact N-O 3.31Å; I396-V408 WeakPolarHBondContact O-CG2 3.35Å; I396-V408 PolarHBondContact O-N 3Å; L398-V408 HydrophobicContact CB-CG1 3.96Å; L398-V408 HydrophobicContact CB-CG2 3.91Å; T406-V408 PolarHBondContact O-N 3Å; V408-I419 HydrophobicContact CB-CG2 3.84Å; V408-I419 HydrophobicContact CG1-CG2 3.96Å; V408-I419 HydrophobicContact CG2-CG2 3.98Å; V408-D420 CarbonylContact C-O 3.35Å; V408-D420 VanDerWaalsContact CA-O 3.27Å; V408-D420 WeakPolarHBondContact CA-O 3.28Å; V408-V422 VanDerWaalsContact C-CG2 3.48Å; V408-F472 HydrophobicContact CG2-CD1 4.32Å; V408-F472 HydrophobicContact CG2-CE1 4.17Å
409Q92.9Very high86.8Confident65 Ų6562.6 Ų62.630%0.30430%0.295SS..EExtended strand (participates in β ladder)trans-96.7108.5167.7-178.7167.6-20.400107.2F394 D420 V422F394-Q409 CarbonylContact O-C 3.57Å; F394-Q409 WeakPolarHBondContact O-CA 3.47Å; Q409-D420 HydrophobicContact CB-CB 4.48Å; Q409-D420 PolarHBondContact N-O 3.29Å; Q409-D420 PolarHBondContact O-N 3.29Å; Q409-V422 HydrophobicContact CB-CG2 3.86Å
410L94.8Very high86.7Confident0 Ų063.6 Ų63.60%030%0.301CS..EExtended strand (participates in β ladder)trans-89.8105.3175.6-179.770.9000108.9S393 F394 I396 I412 V417 E418 I419 F457 I459 F472 I482S393-L410 CarbonylContact C-O 3.52Å; S393-L410 VanDerWaalsContact CA-O 3.28Å; S393-L410 WeakPolarHBondContact CA-O 3.36Å; F394-L410 PolarHBondContact N-O 3.19Å; F394-L410 PolarHBondContact O-N 3.02Å; I396-L410 HydrophobicContact CD1-CB 3.54Å; I396-L410 HydrophobicContact CD1-CD2 3.43Å; I396-L410 VanDerWaalsContact CD1-CD2 3.43Å; I396-L410 HydrophobicContact CD1-CG 4.06Å; I396-L410 HydrophobicContact CG1-CB 4.01Å; L410-I412 HydrophobicContact CD2-CD1 3.83Å; L410-I412 HydrophobicContact CD2-CG1 4.13Å; L410-I412 HydrophobicContact CG-CD1 4.21Å; L410-I412 HydrophobicContact CG-CG1 3.94Å; L410-V417 HydrophobicContact CD1-CG1 3.6Å; L410-E418 CarbonylContact C-O 3.38Å; L410-E418 WeakPolarHBondContact CA-O 3.2Å; L410-I419 HydrophobicContact CD1-CD1 4.47Å; L410-I419 HydrophobicContact CD1-CG1 3.63Å; L410-F457 HydrophobicContact CD2-CE2 4.37Å; L410-F457 HydrophobicContact CD2-CZ 3.93Å; L410-I459 HydrophobicContact CD2-CD1 4.47Å; L410-F472 HydrophobicContact CD1-CE1 4.42Å; L410-F472 HydrophobicContact CD1-CZ 4.27Å; L410-I482 HydrophobicContact CD2-CD1 4.32Å; L410-I482 HydrophobicContact CD2-CG2 4.11Å
411G92.7Very high86.7Confident0 Ų063.9 Ų63.90%031%0.307CS..EExtended strand (participates in β ladder)trans-89.6124.417100000110.9V417 E418G411-V417 CarbonylContact O-C 3.59Å; G411-V417 WeakPolarHBondContact O-CA 3.49Å; G411-E418 PolarHBondContact N-O 3.37Å; G411-E418 PolarHBondContact O-N 3.49Å
412I92.3Very high86.8Confident0 Ų056.2 Ų56.20%028%0.278CS..EExtended strand (participates in β ladder)trans-119.7121.6179.5-53.2175.9000108.4Y391 K392 F394 L410 V417 I482 K485 V486 I489Y391-I412 CarbonylContact C-O 3.45Å; Y391-I412 WeakPolarHBondContact CA-O 3.36Å; K392-I412 PolarHBondContact N-O 3.12Å; K392-I412 PolarHBondContact O-N 2.93Å; F394-I412 HydrophobicContact CD2-CD1 4.08Å; F394-I412 HydrophobicContact CD2-CG1 4.47Å; F394-I412 HydrophobicContact CE2-CD1 3.89Å; F394-I412 HydrophobicContact CE2-CG1 4.42Å; L410-I412 HydrophobicContact CD2-CD1 3.83Å; L410-I412 HydrophobicContact CD2-CG1 4.13Å; L410-I412 HydrophobicContact CG-CD1 4.21Å; L410-I412 HydrophobicContact CG-CG1 3.94Å; I412-V417 HydrophobicContact CG2-CG2 4.27Å; I412-I482 HydrophobicContact CD1-CB 4.34Å; I412-I482 HydrophobicContact CD1-CG1 4.22Å; I412-I482 HydrophobicContact CD1-CG2 3.64Å; I412-K485 HydrophobicContact CB-CD 4.24Å; I412-K485 HydrophobicContact CG2-CD 4.06Å; I412-K485 HydrophobicContact CG2-CG 4.26Å; I412-K485 WeakPolarHBondContact O-CE 3.26Å; I412-V486 HydrophobicContact CD1-CG2 3.82Å; I412-V486 HydrophobicContact CG2-CG2 4.01Å; I412-I489 HydrophobicContact CG2-CD1 3.64Å
413S88.5Confident86.4Confident15 Ų1554.1 Ų54.111%0.10527%0.272CS..  trans-132166.5173.368.40000109.9E415 K416S413-E415 PolarHBondContact O-N 3.48Å; S413-E415 PolarHBondContact OG-N 2.77Å; S413-K416 PolarHBondContact N-O 2.89Å; S413-K416 PolarHBondContact OG-N 3.37Å; S413-K416 PolarHBondContact OG-O 2.72Å
414G80.3Confident85.4Confident4 Ų448.5 Ų48.54%0.04127%0.268CS..SBendtrans-63.2-19.2174.500000113.9H389 S438 R493H389-G414 PolarHBondContact O-N 2.72Å; G414-S438 PolarHBondContact O-OG 2.95Å; G414-R493 PolarHBondContact O-NE 3.35Å; G414-R493 VanDerWaalsContact O-NE 3.15Å; G414-R493 PolarHBondContact O-NH1 3.03Å; G414-R493 PolarHBondContact O-NH2 3.46Å
415E82.5Confident83.6Confident138 Ų13852.5 Ų52.565%0.64529%0.287SS*.SBendtrans-95.4-40.4-179.4-64.1-172.9166.700112.5S413 S438S413-E415 PolarHBondContact O-N 3.48Å; S413-E415 PolarHBondContact OG-N 2.77Å; E415-S438 VanDerWaalsContact O-CB 3.3Å; E415-S438 WeakPolarHBondContact O-CB 3.46Å; E415-S438 PolarHBondContact O-N 2.97Å; E415-S438 PolarHBondContact O-OG 3.17Å
416K90.1Very high82Confident78 Ų7858.4 Ų58.434%0.33931%0.307SS..EExtended strand (participates in β ladder)trans-153157.4-174.757.4-179174170.50112.3S413 E418 I436 S438S413-K416 PolarHBondContact N-O 2.89Å; S413-K416 PolarHBondContact OG-N 3.37Å; S413-K416 PolarHBondContact OG-O 2.72Å; K416-E418 HydrophobicContact CD-CG 3.94Å; K416-E418 VanDerWaalsContact CD-OE1 3.32Å; K416-E418 WeakPolarHBondContact CD-OE1 3.39Å; K416-E418 VanDerWaalsContact CE-CD 3.49Å; K416-E418 WeakPolarHBondContact CE-OE1 3.31Å; K416-E418 HydrophobicContact CG-CG 4.11Å; K416-E418 IonicContact NZ-OE1 2.75Å; K416-E418 PolarHBondContact NZ-OE1 2.98Å; K416-E418 IonicContact NZ-OE2 3.22Å; K416-I436 CarbonylContact C-O 3.57Å; K416-I436 VanDerWaalsContact CA-O 3.28Å; K416-I436 WeakPolarHBondContact CA-O 3.48Å; K416-I436 WeakPolarHBondContact CB-O 3.43Å; K416-S438 PolarHBondContact N-OG 2.9Å
417V93Very high80.1Confident0 Ų064.4 Ų64.40%033%0.33CS..EExtended strand (participates in β ladder)trans-108.8124.8167.2172.90000108.6L410 G411 I412 I436 L441 I459L410-V417 HydrophobicContact CD1-CG1 3.6Å; G411-V417 CarbonylContact O-C 3.59Å; G411-V417 WeakPolarHBondContact O-CA 3.49Å; I412-V417 HydrophobicContact CG2-CG2 4.27Å; V417-I436 PolarHBondContact N-O 3.1Å; V417-I436 PolarHBondContact O-N 2.84Å; V417-L441 HydrophobicContact CB-CD1 4.47Å; V417-L441 HydrophobicContact CG2-CD1 3.61Å; V417-L441 HydrophobicContact CG2-CD2 4.41Å; V417-I459 HydrophobicContact CG1-CD1 4.41Å
418E92.7Very high78.3Confident39 Ų3970.5 Ų70.518%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-116.4139.7-176.9-62-175.2136.200110.2L410 G411 K416 I434L410-E418 CarbonylContact C-O 3.38Å; L410-E418 WeakPolarHBondContact CA-O 3.2Å; G411-E418 PolarHBondContact N-O 3.37Å; G411-E418 PolarHBondContact O-N 3.49Å; K416-E418 HydrophobicContact CD-CG 3.94Å; K416-E418 VanDerWaalsContact CD-OE1 3.32Å; K416-E418 WeakPolarHBondContact CD-OE1 3.39Å; K416-E418 VanDerWaalsContact CE-CD 3.49Å; K416-E418 WeakPolarHBondContact CE-OE1 3.31Å; K416-E418 HydrophobicContact CG-CG 4.11Å; K416-E418 IonicContact NZ-OE1 2.75Å; K416-E418 PolarHBondContact NZ-OE1 2.98Å; K416-E418 IonicContact NZ-OE2 3.22Å; E418-I434 CarbonylContact C-O 3.55Å; E418-I434 WeakPolarHBondContact CA-O 3.4Å
419I93.8Very high76.6Confident1 Ų176.3 Ų76.31%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-130.8104.9-178.8-55158.3000107.2V408 L410 P433 I434 I436 L470 F472V408-I419 HydrophobicContact CB-CG2 3.84Å; V408-I419 HydrophobicContact CG1-CG2 3.96Å; V408-I419 HydrophobicContact CG2-CG2 3.98Å; L410-I419 HydrophobicContact CD1-CD1 4.47Å; L410-I419 HydrophobicContact CD1-CG1 3.63Å; I419-P433 WeakPolarHBondContact O-CA 3.28Å; I419-I434 HydrophobicContact CB-CB 4.18Å; I419-I434 HydrophobicContact CD1-CB 4.14Å; I419-I434 HydrophobicContact CD1-CD1 4.44Å; I419-I434 HydrophobicContact CD1-CG2 4.31Å; I419-I434 PolarHBondContact N-O 2.93Å; I419-I434 PolarHBondContact O-N 3.46Å; I419-I436 HydrophobicContact CD1-CD1 4.46Å; I419-L470 HydrophobicContact CD1-CD1 3.5Å; I419-F472 HydrophobicContact CD1-CE1 4.34Å; I419-F472 HydrophobicContact CD1-CZ 3.72Å; I419-F472 HydrophobicContact CG1-CE1 4.46Å; I419-F472 HydrophobicContact CG1-CZ 4.2Å; I419-F472 HydrophobicContact CG2-CE1 4.4Å
420D89.6Confident74.9Confident58 Ų5885.1 Ų85.131%0.3141%0.406SS..EExtended strand (participates in β ladder)trans-111.4131-178.1-66.1-42.9000110.8V408 Q409 P433V408-D420 CarbonylContact C-O 3.35Å; V408-D420 VanDerWaalsContact CA-O 3.27Å; V408-D420 WeakPolarHBondContact CA-O 3.28Å; Q409-D420 HydrophobicContact CB-CB 4.48Å; Q409-D420 PolarHBondContact N-O 3.29Å; Q409-D420 PolarHBondContact O-N 3.29Å; D420-P433 WeakPolarHBondContact OD1-CB 3.31Å
421P85.5Confident73.5Confident51 Ų5186.9 Ų86.933%0.33141%0.414SS..EExtended strand (participates in β ladder)trans-70.2133.4177.228.6-33.8000111.8
422V75.5Confident72.7Confident58 Ų5895.3 Ų95.335%0.35245%0.451SS..SBendtrans-79.7-19.9-169.9175.80000113.9D407 V408 Q409D407-V422 PolarHBondContact O-N 3.08Å; V408-V422 VanDerWaalsContact C-CG2 3.48Å; Q409-V422 HydrophobicContact CB-CG2 3.86Å
423T65.6Low72.3Confident108 Ų10899.5 Ų99.566%0.66348%0.478SS*.SBendtrans-153.8147.917350.90000114.5Q425T423-Q425 PolarHBondContact O-N 2.77Å; T423-Q425 VanDerWaalsContact O-N 3.1Å
424S49.3Very low72.3Confident111 Ų111101.1 Ų101.178%0.77649%0.485SS*.  trans-73.284.1173.262.60000111.7K426S424-K426 PolarHBondContact O-N 2.8Å
425Q44.7Very low72.8Confident167 Ų167104.5 Ų104.578%0.7851%0.508SS*.  trans-68.9120.2162.9-73.9-137.9-1500109.3T423 F427T423-Q425 PolarHBondContact O-N 2.77Å; T423-Q425 VanDerWaalsContact O-N 3.1Å; Q425-F427 PolarHBondContact O-N 3.26Å
426K51.4Low73.2Confident192 Ų19298.3 Ų98.384%0.83548%0.479SS*.SBendtrans-68.86.5-174.7-79.5-173.3174.8-178.50114.9S424S424-K426 PolarHBondContact O-N 2.8Å
427F46.5Very low73.1Confident162 Ų16298 Ų9871%0.71148%0.482SS*.SBendtrans-129.2101.2-176.7-76.4-81.9000110.9Q425Q425-F427 PolarHBondContact O-N 3.26Å
428W52.3Low72.7Confident233 Ų23398.2 Ų98.288%0.88348%0.483SS*.SBendtrans80.9-2.5150.9-59.9104.1000123.6
429I54.2Low72.3Confident122 Ų122100.5 Ų100.563%0.62650%0.497SS*.  trans-146.996.6168.2-51.3175.4000111.4F404 Q431F404-I429 HydrophobicContact CZ-CD1 4.22Å; I429-Q431 PolarHBondContact O-N 3.42Å
430R57.4Low72Confident250 Ų250104.5 Ų104.594%0.94352%0.515SS*.  trans-73.294.7164.9-73.8-170.8-177.8-169.42.3108.4K432R430-K432 PolarHBondContact O-N 3.15Å
431Q64.8Low71.9Confident38 Ų38101.9 Ų101.918%0.17850%0.501CS..PPolyproline II helixtrans-65.4124.3171.4-173.9168.5-9.100108.9H400 T406 I429H400-Q431 PolarHBondContact NE2-OE1 2.81Å; T406-Q431 PolarHBondContact OG1-OE1 2.81Å; I429-Q431 PolarHBondContact O-N 3.42Å
432K76.3Confident72Confident177 Ų17799.4 Ų99.477%0.7749%0.485SS*.PPolyproline II helixtrans-73.8139.8175.4-69.6-178.2178.21800109.2R430 I434R430-K432 PolarHBondContact O-N 3.15Å; K432-I434 PolarHBondContact O-N 3.35Å
433P84.8Confident72.6Confident88 Ų8896.9 Ų96.957%0.57147%0.47SS*.PPolyproline II helixtrans-48.3137.3165.2-30.537.9000111.5I419 D420I419-P433 WeakPolarHBondContact O-CA 3.28Å; D420-P433 WeakPolarHBondContact OD1-CB 3.31Å
434I89.1Confident73.8Confident48 Ų4891.8 Ų91.825%0.24644%0.439CS..EExtended strand (participates in β ladder)trans-113.5125.6176.2-53.5174.1000107.5E418 I419 K432 I436E418-I434 CarbonylContact C-O 3.55Å; E418-I434 WeakPolarHBondContact CA-O 3.4Å; I419-I434 HydrophobicContact CB-CB 4.18Å; I419-I434 HydrophobicContact CD1-CB 4.14Å; I419-I434 HydrophobicContact CD1-CD1 4.44Å; I419-I434 HydrophobicContact CD1-CG2 4.31Å; I419-I434 PolarHBondContact N-O 2.93Å; I419-I434 PolarHBondContact O-N 3.46Å; K432-I434 PolarHBondContact O-N 3.35Å; I434-I436 HydrophobicContact CG2-CD1 4.23Å; I434-I436 HydrophobicContact CG2-CG1 3.9Å
435S90.6Very high75.7Confident76 Ų7688.8 Ų88.853%0.53141%0.414SS..EExtended strand (participates in β ladder)trans-119.2122.2171.9-169.30000108.7
436I90.9Very high77.9Confident7 Ų784.1 Ų84.14%0.03639%0.394CS..EExtended strand (participates in β ladder)trans-115.8115.5-178.7-54.9169.5000107.1K416 V417 I419 I434 H440 L441 Y461 L470K416-I436 CarbonylContact C-O 3.57Å; K416-I436 VanDerWaalsContact CA-O 3.28Å; K416-I436 WeakPolarHBondContact CA-O 3.48Å; K416-I436 WeakPolarHBondContact CB-O 3.43Å; V417-I436 PolarHBondContact N-O 3.1Å; V417-I436 PolarHBondContact O-N 2.84Å; I419-I436 HydrophobicContact CD1-CD1 4.46Å; I434-I436 HydrophobicContact CG2-CD1 4.23Å; I434-I436 HydrophobicContact CG2-CG1 3.9Å; I436-H440 HydrophobicContact CG2-CB 4.38Å; I436-L441 HydrophobicContact CB-CD2 4.47Å; I436-L441 HydrophobicContact CG2-CD2 3.73Å; I436-L441 HydrophobicContact CG2-CG 4.13Å; I436-Y461 HydrophobicContact CD1-CD1 3.7Å; I436-Y461 HydrophobicContact CD1-CD2 4.14Å; I436-Y461 HydrophobicContact CD1-CE1 3.9Å; I436-Y461 HydrophobicContact CD1-CE2 4.3Å; I436-Y461 HydrophobicContact CD1-CG 3.84Å; I436-Y461 HydrophobicContact CG1-CD2 4.25Å; I436-Y461 HydrophobicContact CG1-CE2 4.38Å; I436-Y461 HydrophobicContact CG1-CG 4.39Å; I436-Y461 HydrophobicContact CG2-CD2 4.01Å; I436-Y461 HydrophobicContact CG2-CG 4Å; I436-L470 HydrophobicContact CD1-CD1 4.03Å
437D87.1Confident79.7Confident72 Ų7278.4 Ų78.439%0.38538%0.376SS..EExtended strand (participates in β ladder)trans-62.1139.5171.7-161.9-34.7000110D439 H440 L441D437-D439 PolarHBondContact O-N 3.32Å; D437-D439 VanDerWaalsContact O-N 3.16Å; D437-D439 PolarHBondContact OD1-N 3.13Å; D437-H440 WeakPolarHBondContact O-CB 3.3Å; D437-H440 PolarHBondContact O-N 2.86Å; D437-L441 PolarHBondContact O-N 3.4Å
438S85.3Confident81.6Confident5 Ų574.5 Ų74.54%0.03536%0.359CS..G310 helixtrans-59.7-26.7179.6-62.30000112.6G414 E415 K416 H440 L441G414-S438 PolarHBondContact O-OG 2.95Å; E415-S438 VanDerWaalsContact O-CB 3.3Å; E415-S438 WeakPolarHBondContact O-CB 3.46Å; E415-S438 PolarHBondContact O-N 2.97Å; E415-S438 PolarHBondContact O-OG 3.17Å; K416-S438 PolarHBondContact N-OG 2.9Å; S438-H440 PolarHBondContact O-N 2.79Å; S438-L441 PolarHBondContact O-N 3.12Å; S438-L441 VanDerWaalsContact O-N 3.14Å
439D83.4Confident83.2Confident87 Ų8768.6 Ų68.647%0.46534%0.341SS..G310 helixtrans-63.1-28.7175.9-70.6-6.5000112.2D437 R493 S495D437-D439 PolarHBondContact O-N 3.32Å; D437-D439 VanDerWaalsContact O-N 3.16Å; D437-D439 PolarHBondContact OD1-N 3.13Å; D439-R493 IonicContact OD1-NH1 2.85Å; D439-R493 PolarHBondContact OD1-NH1 2.94Å; D439-S495 PolarHBondContact O-OG 2.94Å
440H86.9Confident84.4Confident85 Ų8570.7 Ų70.739%0.39434%0.342SS..G310 helixtrans-90.1-8.9177.5-61.5131.8000113.8I436 D437 S438 C442 Y461 H462I436-H440 HydrophobicContact CG2-CB 4.38Å; D437-H440 WeakPolarHBondContact O-CB 3.3Å; D437-H440 PolarHBondContact O-N 2.86Å; S438-H440 PolarHBondContact O-N 2.79Å; H440-C442 PolarHBondContact O-SG 3.05Å; H440-C442 VanDerWaalsContact O-SG 3.42Å; H440-Y461 CarbonylContact O-C 3.57Å; H440-Y461 VanDerWaalsContact O-CA 3.25Å; H440-Y461 WeakPolarHBondContact O-CA 3.37Å; H440-Y461 WeakPolarHBondContact O-CB 3.34Å; H440-H462 PolarHBondContact O-N 2.98Å
441L89Confident85.5Confident2 Ų260.8 Ų60.81%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-71.4136.7176.1-67.1171.6000110.2V417 I436 D437 S438 I459 L490V417-L441 HydrophobicContact CB-CD1 4.47Å; V417-L441 HydrophobicContact CG2-CD1 3.61Å; V417-L441 HydrophobicContact CG2-CD2 4.41Å; I436-L441 HydrophobicContact CB-CD2 4.47Å; I436-L441 HydrophobicContact CG2-CD2 3.73Å; I436-L441 HydrophobicContact CG2-CG 4.13Å; D437-L441 PolarHBondContact O-N 3.4Å; S438-L441 PolarHBondContact O-N 3.12Å; S438-L441 VanDerWaalsContact O-N 3.14Å; L441-I459 HydrophobicContact CD2-CG2 3.66Å; L441-L490 HydrophobicContact CB-CD2 3.67Å
442C87.6Confident86.1Confident0 Ų064.1 Ų64.10%034%0.336CS..EExtended strand (participates in β ladder)trans-115.7-42.4-175.2-55.40000112.9H440 T460 Y467 Y501H440-C442 PolarHBondContact O-SG 3.05Å; H440-C442 VanDerWaalsContact O-SG 3.42Å; C442-T460 HydrophobicContact CB-CG2 4.38Å; C442-T460 WeakPolarHBondContact CB-O 3Å; C442-T460 PolarHBondContact N-O 2.89Å; C442-Y467 HydrophobicContact CB-CD1 4.5Å; C442-Y467 VanDerWaalsContact SG-CE1 3.59Å; C442-Y501 HydrophobicContact CB-CD1 4.08Å; C442-Y501 HydrophobicContact CB-CD2 4.31Å; C442-Y501 HydrophobicContact CB-CG 3.87Å
443A87.8Confident86.2Confident5 Ų560 Ų604%0.04133%0.329CS..EExtended strand (participates in β ladder)trans-160.2151.6-178.500000111.8T460 Y501A443-T460 PolarHBondContact N-O 3.05Å; A443-T460 PolarHBondContact O-N 3.22Å; A443-Y501 HydrophobicContact CB-CD1 4.48Å; A443-Y501 HydrophobicContact CB-CE1 3.9Å
444C91.4Very high86.3Confident1 Ų157.8 Ų57.81%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-132.3112.5167.9-170.30000109.2K458 V486 N487C444-K458 WeakPolarHBondContact CA-O 3.2Å; C444-V486 HydrophobicContact CB-CB 3.83Å; C444-V486 HydrophobicContact CB-CG1 3.51Å; C444-N487 PolarHBondContact O-ND2 3.36Å; C444-N487 VanDerWaalsContact O-ND2 3.13Å; C444-N487 PolarHBondContact O-OD1 3.46Å
445D88.8Confident86.4Confident47 Ų4755.6 Ų55.625%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-122.6141.4-178-41-43.8000110.4F457 K458D445-F457 WeakPolarHBondContact O-CA 3.27Å; D445-K458 HydrophobicContact CB-CG 4.41Å; D445-K458 PolarHBondContact N-O 3.29Å; D445-K458 VanDerWaalsContact N-O 3.08Å; D445-K458 PolarHBondContact O-N 3.36Å; D445-K458 WeakPolarHBondContact OD2-CE 3.44Å; D445-K458 IonicContact OD2-NZ 2.91Å; D445-K458 PolarHBondContact OD2-NZ 3Å
446L89.9Confident86.4Confident70 Ų7052.9 Ų52.937%0.36628%0.279SS..EExtended strand (participates in β ladder)trans-64132.1160.5-177.568.5000109A455 V479L446-A455 HydrophobicContact CD1-CB 4.46Å; L446-V479 HydrophobicContact CD1-CG1 3.57Å
447V88.9Confident86.6Confident72 Ų7252.5 Ų52.544%0.43628%0.277SS..EExtended strand (participates in β ladder)trans-103.8-50.7-176.6179.60000111.1I456 K458 Y471V447-I456 WeakPolarHBondContact CA-O 3.42Å; V447-I456 HydrophobicContact CB-CG2 4.19Å; V447-I456 WeakPolarHBondContact CB-O 3.5Å; V447-I456 PolarHBondContact N-O 3.14Å; V447-K458 HydrophobicContact CG2-CB 3.74Å; V447-K458 HydrophobicContact CG2-CD 3.8Å; V447-K458 HydrophobicContact CG2-CG 3.64Å; V447-Y471 HydrophobicContact CG2-CD1 4.29Å; V447-Y471 HydrophobicContact CG2-CE1 4.15Å
448E86.2Confident87Confident80 Ų8051.4 Ų51.437%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-151.2135.8-175.7-167.1178.3173.900109.2R450 A455 I456E448-R450 HydrophobicContact CG-CG 4.05Å; E448-R450 WeakPolarHBondContact OE1-CG 3.22Å; E448-R450 IonicContact OE1-CZ 3.24Å; E448-R450 IonicContact OE1-NE 3.71Å; E448-R450 PolarHBondContact OE1-NE 2.8Å; E448-R450 IonicContact OE1-NH2 2.73Å; E448-R450 PolarHBondContact OE1-NH2 3.16Å; E448-R450 IonicContact OE2-CZ 3.98Å; E448-R450 IonicContact OE2-NE 3.93Å; E448-R450 IonicContact OE2-NH2 3.45Å; E448-R450 PolarHBondContact OE2-NH2 2.96Å; E448-A455 CarbonylContact O-C 3.5Å; E448-A455 WeakPolarHBondContact O-CA 3.36Å; E448-I456 HydrophobicContact CB-CB 4.42Å; E448-I456 PolarHBondContact N-O 3.48Å; E448-I456 PolarHBondContact O-N 3.29Å
449E87.4Confident87.4Confident108 Ų10851.2 Ų51.251%0.50527%0.268SS..EExtended strand (participates in β ladder)trans-119.8106.1170.1-173.9178.4170.600107.3A455 A476E449-A455 HydrophobicContact CG-CB 4.38Å; E449-A476 HydrophobicContact CG-CB 4.35Å
450R79.3Confident87.8Confident167 Ų16747.4 Ų47.463%0.6325%0.248SC*.EExtended strand (participates in β ladder)trans-90.3-39.3-177.8-74.6-172.9174.1174.77.1112.1E448 H454E448-R450 HydrophobicContact CG-CG 4.05Å; E448-R450 WeakPolarHBondContact OE1-CG 3.22Å; E448-R450 IonicContact OE1-CZ 3.24Å; E448-R450 IonicContact OE1-NE 3.71Å; E448-R450 PolarHBondContact OE1-NE 2.8Å; E448-R450 IonicContact OE1-NH2 2.73Å; E448-R450 PolarHBondContact OE1-NH2 3.16Å; E448-R450 IonicContact OE2-CZ 3.98Å; E448-R450 IonicContact OE2-NE 3.93Å; E448-R450 IonicContact OE2-NH2 3.45Å; E448-R450 PolarHBondContact OE2-NH2 2.96Å; R450-H454 HydrophobicContact CB-CB 4.45Å; R450-H454 PolarHBondContact N-O 2.85Å
451S79.1Confident88.1Confident41 Ų4144.8 Ų44.829%0.28723%0.234SC..EExtended strand (participates in β ladder)trans-155.7166.7179.366.60000110S453 H454S451-S453 PolarHBondContact O-N 2.95Å; S451-S453 PolarHBondContact OG-OG 3.49Å; S451-H454 PolarHBondContact N-O 3.33Å; S451-H454 CarbonylContact O-C 3.52Å; S451-H454 PolarHBondContact O-N 2.77Å; S451-H454 VanDerWaalsContact OG-CB 3.3Å; S451-H454 WeakPolarHBondContact OG-CB 3.31Å; S451-H454 PolarHBondContact OG-N 2.94Å
452P78.4Confident88Confident109 Ų10947.1 Ų47.171%0.70825%0.245SC*.THydrogen-bonded Turntrans-57.1-25.6175.5-25.334.5000113.4A476P452-A476 WeakPolarHBondContact O-CB 3.42Å; P452-A476 PolarHBondContact O-N 3.25Å
453S78.1Confident87.9Confident90 Ų9048.2 Ų48.263%0.62925%0.253SS*.THydrogen-bonded Turntrans-91.9-4.3177.765.20000113.9S451S451-S453 PolarHBondContact O-N 2.95Å; S451-S453 PolarHBondContact OG-OG 3.49Å
454H86.3Confident87.2Confident42 Ų4254.6 Ų54.619%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-148.6101-170.4-162.4-85.1000111.8R450 S451 E473 S474R450-H454 HydrophobicContact CB-CB 4.45Å; R450-H454 PolarHBondContact N-O 2.85Å; S451-H454 PolarHBondContact N-O 3.33Å; S451-H454 CarbonylContact O-C 3.52Å; S451-H454 PolarHBondContact O-N 2.77Å; S451-H454 VanDerWaalsContact OG-CB 3.3Å; S451-H454 WeakPolarHBondContact OG-CB 3.31Å; S451-H454 PolarHBondContact OG-N 2.94Å; H454-E473 IonicContact CD2-OE1 2.88Å; H454-E473 PolarHBondContact CD2-OE1 3.05Å; H454-E473 VanDerWaalsContact CD2-OE1 3.22Å; H454-E473 IonicContact CE1-OE1 2.63Å; H454-E473 IonicContact CE1-OE2 3.39Å; H454-E473 WeakPolarHBondContact NE2-CG 3.46Å; H454-E473 IonicContact NE2-OE1 2.59Å; H454-E473 PolarHBondContact NE2-OE1 3.45Å; H454-E473 IonicContact NE2-OE2 3.95Å; H454-E473 PolarHBondContact NE2-OE2 3.13Å; H454-S474 CarbonylContact C-O 3.51Å; H454-S474 WeakPolarHBondContact CA-O 3.4Å
455A91.3Very high86.5Confident1 Ų162.8 Ų62.81%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-131.3148174.100000110.2L446 E448 E449 E473 S474 A476 V479L446-A455 HydrophobicContact CD1-CB 4.46Å; E448-A455 CarbonylContact O-C 3.5Å; E448-A455 WeakPolarHBondContact O-CA 3.36Å; E449-A455 HydrophobicContact CG-CB 4.38Å; A455-E473 WeakPolarHBondContact O-CA 3.34Å; A455-S474 PolarHBondContact N-O 2.94Å; A455-S474 PolarHBondContact O-N 3.2Å; A455-A476 HydrophobicContact CB-CB 4.16Å; A455-V479 HydrophobicContact CB-CB 3.91Å; A455-V479 HydrophobicContact CB-CG1 4.12Å; A455-V479 HydrophobicContact CB-CG2 3.81Å
456I92.1Very high86.2Confident19 Ų1966 Ų6610%0.09734%0.341CS..EExtended strand (participates in β ladder)trans-121.7129.2-178.7-58.3175.9000108.6I399 V447 E448 Y471 F472I399-I456 HydrophobicContact CD1-CD1 3.98Å; I399-I456 HydrophobicContact CD1-CG1 4.16Å; I399-I456 HydrophobicContact CD1-CG2 3.86Å; V447-I456 WeakPolarHBondContact CA-O 3.42Å; V447-I456 HydrophobicContact CB-CG2 4.19Å; V447-I456 WeakPolarHBondContact CB-O 3.5Å; V447-I456 PolarHBondContact N-O 3.14Å; E448-I456 HydrophobicContact CB-CB 4.42Å; E448-I456 PolarHBondContact N-O 3.48Å; E448-I456 PolarHBondContact O-N 3.29Å; I456-Y471 HydrophobicContact CG2-CD1 4.46Å; I456-F472 VanDerWaalsContact CA-O 3.22Å; I456-F472 WeakPolarHBondContact CA-O 3.48Å; I456-F472 WeakPolarHBondContact CG2-O 3.38Å
457F95.3Very high86Confident0 Ų065.8 Ų65.80%034%0.336CS..EExtended strand (participates in β ladder)trans-124.4163.3170.470.7-78.4000111.2I396 L410 D445 I459 Y471 F472 V479 I482 V483I396-F457 HydrophobicContact CD1-CE1 4.12Å; I396-F457 HydrophobicContact CD1-CZ 3.78Å; L410-F457 HydrophobicContact CD2-CE2 4.37Å; L410-F457 HydrophobicContact CD2-CZ 3.93Å; D445-F457 WeakPolarHBondContact O-CA 3.27Å; F457-I459 HydrophobicContact CD2-CG1 4.19Å; F457-I459 HydrophobicContact CE2-CD1 3.95Å; F457-I459 HydrophobicContact CE2-CG1 3.89Å; F457-Y471 WeakPolarHBondContact O-CA 3.27Å; F457-F472 HydrophobicContact CD1-CB 3.88Å; F457-F472 HydrophobicContact CD2-CD2 4.31Å; F457-F472 HydrophobicContact CE1-CB 3.33Å; F457-F472 HydrophobicContact CE1-CD2 4.47Å; F457-F472 HydrophobicContact CE1-CG 4.16Å; F457-F472 HydrophobicContact CE2-CB 4.08Å; F457-F472 AromaticContact CE2-CD2 3.68Å; F457-F472 HydrophobicContact CE2-CD2 3.68Å; F457-F472 HydrophobicContact CE2-CE2 4.43Å; F457-F472 HydrophobicContact CE2-CG 4.14Å; F457-F472 HydrophobicContact CG-CB 4.49Å; F457-F472 HydrophobicContact CZ-CB 3.44Å; F457-F472 VanDerWaalsContact CZ-CB 3.44Å; F457-F472 AromaticContact CZ-CD2 3.77Å; F457-F472 HydrophobicContact CZ-CD2 3.77Å; F457-F472 AromaticContact CZ-CG 3.73Å; F457-F472 HydrophobicContact CZ-CG 3.73Å; F457-F472 PolarHBondContact N-O 2.81Å; F457-F472 PolarHBondContact O-N 2.89Å; F457-V479 HydrophobicContact CB-CG1 3.74Å; F457-V479 HydrophobicContact CD1-CB 4.18Å; F457-V479 HydrophobicContact CD1-CG1 3.68Å; F457-V479 HydrophobicContact CD1-CG2 3.7Å; F457-V479 HydrophobicContact CE1-CG2 4.11Å; F457-V479 HydrophobicContact CG-CG1 4.03Å; F457-I482 HydrophobicContact CD2-CG2 4.21Å; F457-I482 HydrophobicContact CE1-CD1 4.06Å; F457-I482 HydrophobicContact CE1-CG2 4.32Å; F457-I482 HydrophobicContact CE2-CG2 3.52Å; F457-I482 HydrophobicContact CZ-CB 4.36Å; F457-I482 HydrophobicContact CZ-CD1 3.98Å; F457-I482 HydrophobicContact CZ-CG2 3.58Å; F457-V483 HydrophobicContact CB-CG2 3.79Å; F457-V483 HydrophobicContact CD2-CG2 4.36Å; F457-V483 HydrophobicContact CG-CG2 4.2Å
458K94.5Very high86.1Confident49 Ų4966.5 Ų66.521%0.21333%0.333CS..EExtended strand (participates in β ladder)trans-125141.9175.671.1-177.1179.6-171.60111.7C444 D445 V447 L470 Y471C444-K458 WeakPolarHBondContact CA-O 3.2Å; D445-K458 HydrophobicContact CB-CG 4.41Å; D445-K458 PolarHBondContact N-O 3.29Å; D445-K458 VanDerWaalsContact N-O 3.08Å; D445-K458 PolarHBondContact O-N 3.36Å; D445-K458 WeakPolarHBondContact OD2-CE 3.44Å; D445-K458 IonicContact OD2-NZ 2.91Å; D445-K458 PolarHBondContact OD2-NZ 3Å; V447-K458 HydrophobicContact CG2-CB 3.74Å; V447-K458 HydrophobicContact CG2-CD 3.8Å; V447-K458 HydrophobicContact CG2-CG 3.64Å; K458-L470 CarbonylContact C-O 3.59Å; K458-L470 WeakPolarHBondContact CA-O 3.32Å; K458-L470 WeakPolarHBondContact CB-O 3.17Å; K458-Y471 HydrophobicContact CB-CD1 3.85Å; K458-Y471 HydrophobicContact CB-CE1 3.85Å; K458-Y471 HydrophobicContact CB-CG 4.45Å; K458-Y471 HydrophobicContact CD-CE1 4.25Å
459I94.3Very high86.3Confident1 Ų164.9 Ų64.91%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-109.4124168.3-63179.2000108L410 V417 L441 F457 A469 L470 F472L410-I459 HydrophobicContact CD2-CD1 4.47Å; V417-I459 HydrophobicContact CG1-CD1 4.41Å; L441-I459 HydrophobicContact CD2-CG2 3.66Å; F457-I459 HydrophobicContact CD2-CG1 4.19Å; F457-I459 HydrophobicContact CE2-CD1 3.95Å; F457-I459 HydrophobicContact CE2-CG1 3.89Å; I459-A469 WeakPolarHBondContact O-CA 3.28Å; I459-L470 PolarHBondContact N-O 3.31Å; I459-L470 PolarHBondContact O-N 2.93Å; I459-F472 HydrophobicContact CB-CE2 4.31Å; I459-F472 HydrophobicContact CD1-CE2 3.93Å; I459-F472 HydrophobicContact CG1-CD2 4.5Å; I459-F472 HydrophobicContact CG1-CE2 4.13Å
460T91.8Very high86.6Confident7 Ų761 Ų614%0.04332%0.316CS..EExtended strand (participates in β ladder)trans-105.2128.7174.7-52.70000109.8C442 A443 K468 Y501C442-T460 HydrophobicContact CB-CG2 4.38Å; C442-T460 WeakPolarHBondContact CB-O 3Å; C442-T460 PolarHBondContact N-O 2.89Å; A443-T460 PolarHBondContact N-O 3.05Å; A443-T460 PolarHBondContact O-N 3.22Å; T460-K468 CarbonylContact C-O 3.51Å; T460-K468 VanDerWaalsContact CA-O 3.31Å; T460-K468 WeakPolarHBondContact CA-O 3.45Å; T460-Y501 HydrophobicContact CG2-CD2 4.47Å; T460-Y501 HydrophobicContact CG2-CE2 3.84Å
461Y91.9Very high87.3Confident30 Ų3057.9 Ų57.912%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-137.1154.517970.1-78.1000111.4I436 H440 K468 L470I436-Y461 HydrophobicContact CD1-CD1 3.7Å; I436-Y461 HydrophobicContact CD1-CD2 4.14Å; I436-Y461 HydrophobicContact CD1-CE1 3.9Å; I436-Y461 HydrophobicContact CD1-CE2 4.3Å; I436-Y461 HydrophobicContact CD1-CG 3.84Å; I436-Y461 HydrophobicContact CG1-CD2 4.25Å; I436-Y461 HydrophobicContact CG1-CE2 4.38Å; I436-Y461 HydrophobicContact CG1-CG 4.39Å; I436-Y461 HydrophobicContact CG2-CD2 4.01Å; I436-Y461 HydrophobicContact CG2-CG 4Å; H440-Y461 CarbonylContact O-C 3.57Å; H440-Y461 VanDerWaalsContact O-CA 3.25Å; H440-Y461 WeakPolarHBondContact O-CA 3.37Å; H440-Y461 WeakPolarHBondContact O-CB 3.34Å; Y461-K468 HydrophobicContact CD1-CB 4.21Å; Y461-K468 WeakPolarHBondContact CD1-O 3.48Å; Y461-K468 HydrophobicContact CE1-CB 3.64Å; Y461-K468 HydrophobicContact CE2-CB 4.3Å; Y461-K468 HydrophobicContact CE2-CD 4.36Å; Y461-K468 PolarHBondContact N-O 3.2Å; Y461-K468 PolarHBondContact O-N 2.99Å; Y461-L470 HydrophobicContact CD1-CD1 4.49Å; Y461-L470 HydrophobicContact CE1-CD1 3.86Å; Y461-L470 HydrophobicContact CE1-CG 3.87Å
462H87.8Confident88Confident50 Ų5055.9 Ų55.923%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-85128.2176.4-176.7-101.9000110.3H440 Y467H440-H462 PolarHBondContact O-N 2.98Å; H462-Y467 HydrophobicContact CB-CD1 4.28Å; H462-Y467 HydrophobicContact CB-CE1 4.17Å; H462-Y467 AromaticContact CD2-CE1 3.9Å
463S85.1Confident88.7Confident24 Ų2453 Ų5317%0.16827%0.268CS..EExtended strand (participates in β ladder)trans-148.2120.3-178.9179.20000110.5H465 D466 K468S463-H465 PolarHBondContact O-N 2.84Å; S463-D466 PolarHBondContact N-O 3.43Å; S463-D466 PolarHBondContact O-N 3.34Å; S463-D466 VanDerWaalsContact O-N 3.12Å; S463-D466 VanDerWaalsContact O-O 3.06Å; S463-K468 PolarHBondContact OG-NZ 3.5Å
464N74.3Confident89.5Confident139 Ų13949.8 Ų49.874%0.74325%0.246SC*.THydrogen-bonded Turntrans48.751.6176.2-59.5-9.9000113.3D466N464-D466 VanDerWaalsContact C-N 3.25Å; N464-D466 PolarHBondContact O-N 3.01Å
465H74.9Confident89.7Confident172 Ų17250.4 Ų50.480%0.79625%0.251SS*.THydrogen-bonded Turntrans71.51.2179.8-53.6-76.2000117S463S463-H465 PolarHBondContact O-N 2.84Å
466D82.7Confident89.4Confident114 Ų11450.8 Ų50.861%0.6125%0.253SS*.EExtended strand (participates in β ladder)trans-121.2155.7175.4-82-35.5000112.3S463 N464S463-D466 PolarHBondContact N-O 3.43Å; S463-D466 PolarHBondContact O-N 3.34Å; S463-D466 VanDerWaalsContact O-N 3.12Å; S463-D466 VanDerWaalsContact O-O 3.06Å; N464-D466 VanDerWaalsContact C-N 3.25Å; N464-D466 PolarHBondContact O-N 3.01Å
467Y87.4Confident89.1Confident66 Ų6653.2 Ų53.226%0.25928%0.277SS..EExtended strand (participates in β ladder)trans-90.2119.1172.2-62.7-75.5000110.2C442 H462 Y501C442-Y467 HydrophobicContact CB-CD1 4.5Å; C442-Y467 VanDerWaalsContact SG-CE1 3.59Å; H462-Y467 HydrophobicContact CB-CD1 4.28Å; H462-Y467 HydrophobicContact CB-CE1 4.17Å; H462-Y467 AromaticContact CD2-CE1 3.9Å; Y467-Y501 AromaticContact CD1-CD2 3.58Å; Y467-Y501 HydrophobicContact CD1-CD2 3.58Å; Y467-Y501 HydrophobicContact CD1-CE2 4.33Å; Y467-Y501 HydrophobicContact CD1-CG 4.35Å; Y467-Y501 HydrophobicContact CD2-CD2 4.08Å; Y467-Y501 AromaticContact CE1-CD2 3.7Å; Y467-Y501 HydrophobicContact CE1-CD2 3.7Å; Y467-Y501 HydrophobicContact CE1-CG 4.12Å; Y467-Y501 HydrophobicContact CE2-CD2 4.19Å; Y467-Y501 AromaticContact CG-CD2 3.77Å; Y467-Y501 HydrophobicContact CG-CD2 3.77Å; Y467-Y501 HydrophobicContact CG-CE2 4.25Å; Y467-Y501 WeakPolarHBondContact OH-CA 3.45Å; Y467-Y501 PolarHBondContact OH-N 3.34Å
468K89.4Confident88.8Confident88 Ų8854.8 Ų54.838%0.38329%0.286SS..EExtended strand (participates in β ladder)trans-104.2144.3176.7-67.6-178.8-174.4162.30110.1T460 Y461 S463T460-K468 CarbonylContact C-O 3.51Å; T460-K468 VanDerWaalsContact CA-O 3.31Å; T460-K468 WeakPolarHBondContact CA-O 3.45Å; Y461-K468 HydrophobicContact CD1-CB 4.21Å; Y461-K468 WeakPolarHBondContact CD1-O 3.48Å; Y461-K468 HydrophobicContact CE1-CB 3.64Å; Y461-K468 HydrophobicContact CE2-CB 4.3Å; Y461-K468 HydrophobicContact CE2-CD 4.36Å; Y461-K468 PolarHBondContact N-O 3.2Å; Y461-K468 PolarHBondContact O-N 2.99Å; S463-K468 PolarHBondContact OG-NZ 3.5Å
469A91Very high88.5Confident45 Ų4552.5 Ų52.537%0.37228%0.276SS..EExtended strand (participates in β ladder)trans-118.4133.8175.900000110.4I459 Y471I459-A469 WeakPolarHBondContact O-CA 3.28Å; A469-Y471 HydrophobicContact CB-CE2 4.1Å
470L92.8Very high88.1Confident28 Ų2855.5 Ų55.515%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-110.7140.3170.5-61.5173.4000108.5L398 I419 I436 K458 I459 Y461 F472L398-L470 HydrophobicContact CD1-CB 4.28Å; I419-L470 HydrophobicContact CD1-CD1 3.5Å; I436-L470 HydrophobicContact CD1-CD1 4.03Å; K458-L470 CarbonylContact C-O 3.59Å; K458-L470 WeakPolarHBondContact CA-O 3.32Å; K458-L470 WeakPolarHBondContact CB-O 3.17Å; I459-L470 PolarHBondContact N-O 3.31Å; I459-L470 PolarHBondContact O-N 2.93Å; Y461-L470 HydrophobicContact CD1-CD1 4.49Å; Y461-L470 HydrophobicContact CE1-CD1 3.86Å; Y461-L470 HydrophobicContact CE1-CG 3.87Å; L470-F472 HydrophobicContact CB-CD2 4.44Å; L470-F472 HydrophobicContact CB-CE2 3.58Å; L470-F472 HydrophobicContact CB-CZ 3.94Å; L470-F472 HydrophobicContact CD1-CZ 4.26Å
471Y94.1Very high87.9Confident100 Ų10058.6 Ų58.639%0.39231%0.306SS..EExtended strand (participates in β ladder)trans-115.7136.4-178.8-67.3-92.8000109L398 I399 V447 I456 F457 K458 A469L398-Y471 WeakPolarHBondContact CD1-O 3.28Å; I399-Y471 PolarHBondContact N-O 3.19Å; V447-Y471 HydrophobicContact CG2-CD1 4.29Å; V447-Y471 HydrophobicContact CG2-CE1 4.15Å; I456-Y471 HydrophobicContact CG2-CD1 4.46Å; F457-Y471 WeakPolarHBondContact O-CA 3.27Å; K458-Y471 HydrophobicContact CB-CD1 3.85Å; K458-Y471 HydrophobicContact CB-CE1 3.85Å; K458-Y471 HydrophobicContact CB-CG 4.45Å; K458-Y471 HydrophobicContact CD-CE1 4.25Å; A469-Y471 HydrophobicContact CB-CE2 4.1Å
472F94.7Very high87.8Confident0 Ų057.2 Ų57.20%030%0.301CS..EExtended strand (participates in β ladder)trans-133.4153.4-176.9-61.2-88.8000110.3I396 S397 L398 V408 L410 I419 I456 F457 I459 L470I396-F472 HydrophobicContact CD1-CB 3.87Å; I396-F472 HydrophobicContact CD1-CD1 3.44Å; I396-F472 VanDerWaalsContact CD1-CD1 3.44Å; I396-F472 HydrophobicContact CD1-CE1 4.14Å; I396-F472 HydrophobicContact CD1-CG 3.82Å; I396-F472 HydrophobicContact CG1-CD1 4.02Å; S397-F472 CarbonylContact O-C 3.56Å; S397-F472 VanDerWaalsContact O-CA 3.31Å; S397-F472 WeakPolarHBondContact O-CA 3.44Å; L398-F472 HydrophobicContact CB-CD1 4.19Å; L398-F472 HydrophobicContact CB-CE1 4.22Å; L398-F472 HydrophobicContact CD1-CD1 3.72Å; L398-F472 HydrophobicContact CD1-CE1 3.33Å; L398-F472 HydrophobicContact CD1-CE2 4.31Å; L398-F472 HydrophobicContact CD1-CG 4.37Å; L398-F472 HydrophobicContact CD1-CZ 3.66Å; L398-F472 HydrophobicContact CG-CE1 4.34Å; V408-F472 HydrophobicContact CG2-CD1 4.32Å; V408-F472 HydrophobicContact CG2-CE1 4.17Å; L410-F472 HydrophobicContact CD1-CE1 4.42Å; L410-F472 HydrophobicContact CD1-CZ 4.27Å; I419-F472 HydrophobicContact CD1-CE1 4.34Å; I419-F472 HydrophobicContact CD1-CZ 3.72Å; I419-F472 HydrophobicContact CG1-CE1 4.46Å; I419-F472 HydrophobicContact CG1-CZ 4.2Å; I419-F472 HydrophobicContact CG2-CE1 4.4Å; I456-F472 VanDerWaalsContact CA-O 3.22Å; I456-F472 WeakPolarHBondContact CA-O 3.48Å; I456-F472 WeakPolarHBondContact CG2-O 3.38Å; F457-F472 HydrophobicContact CD1-CB 3.88Å; F457-F472 HydrophobicContact CD2-CD2 4.31Å; F457-F472 HydrophobicContact CE1-CB 3.33Å; F457-F472 HydrophobicContact CE1-CD2 4.47Å; F457-F472 HydrophobicContact CE1-CG 4.16Å; F457-F472 HydrophobicContact CE2-CB 4.08Å; F457-F472 AromaticContact CE2-CD2 3.68Å; F457-F472 HydrophobicContact CE2-CD2 3.68Å; F457-F472 HydrophobicContact CE2-CE2 4.43Å; F457-F472 HydrophobicContact CE2-CG 4.14Å; F457-F472 HydrophobicContact CG-CB 4.49Å; F457-F472 HydrophobicContact CZ-CB 3.44Å; F457-F472 VanDerWaalsContact CZ-CB 3.44Å; F457-F472 AromaticContact CZ-CD2 3.77Å; F457-F472 HydrophobicContact CZ-CD2 3.77Å; F457-F472 AromaticContact CZ-CG 3.73Å; F457-F472 HydrophobicContact CZ-CG 3.73Å; F457-F472 PolarHBondContact N-O 2.81Å; F457-F472 PolarHBondContact O-N 2.89Å; I459-F472 HydrophobicContact CB-CE2 4.31Å; I459-F472 HydrophobicContact CD1-CE2 3.93Å; I459-F472 HydrophobicContact CG1-CD2 4.5Å; I459-F472 HydrophobicContact CG1-CE2 4.13Å; L470-F472 HydrophobicContact CB-CD2 4.44Å; L470-F472 HydrophobicContact CB-CE2 3.58Å; L470-F472 HydrophobicContact CB-CZ 3.94Å; L470-F472 HydrophobicContact CD1-CZ 4.26Å
473E93.6Very high87.8Confident48 Ų4855.6 Ų55.622%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-129.9131.8-175.6-175.1-17914100109.8S397 I399 H454 A455S397-E473 PolarHBondContact N-O 3.48Å; S397-E473 PolarHBondContact O-N 2.77Å; I399-E473 HydrophobicContact CD1-CB 4.11Å; I399-E473 HydrophobicContact CG1-CB 4.13Å; H454-E473 IonicContact CD2-OE1 2.88Å; H454-E473 PolarHBondContact CD2-OE1 3.05Å; H454-E473 VanDerWaalsContact CD2-OE1 3.22Å; H454-E473 IonicContact CE1-OE1 2.63Å; H454-E473 IonicContact CE1-OE2 3.39Å; H454-E473 WeakPolarHBondContact NE2-CG 3.46Å; H454-E473 IonicContact NE2-OE1 2.59Å; H454-E473 PolarHBondContact NE2-OE1 3.45Å; H454-E473 IonicContact NE2-OE2 3.95Å; H454-E473 PolarHBondContact NE2-OE2 3.13Å; A455-E473 WeakPolarHBondContact O-CA 3.34Å
474S93.7Very high87.8Confident22 Ų2258.8 Ų58.815%0.15431%0.309CS..EExtended strand (participates in β ladder)trans-162.2-168.8172.2-153.70000111H454 A455 T478H454-S474 CarbonylContact C-O 3.51Å; H454-S474 WeakPolarHBondContact CA-O 3.4Å; A455-S474 PolarHBondContact N-O 2.94Å; A455-S474 PolarHBondContact O-N 3.2Å; S474-T478 WeakPolarHBondContact CB-OG1 3.46Å; S474-T478 PolarHBondContact OG-OG1 2.64Å; S474-T478 VanDerWaalsContact OG-OG1 3.05Å
475D90.6Very high88.5Confident56 Ų5653 Ų5330%0.29928%0.278SS..  trans-69.3155.7171.165.9-80000112A477 T478 V479D475-A477 VanDerWaalsContact C-N 3.27Å; D475-A477 PolarHBondContact O-N 2.83Å; D475-A477 WeakPolarHBondContact OD2-CB 3.47Å; D475-A477 PolarHBondContact OD2-N 3.08Å; D475-T478 PolarHBondContact O-N 2.86Å; D475-T478 PolarHBondContact O-OG1 3.21Å; D475-T478 WeakPolarHBondContact OD1-CB 3.46Å; D475-T478 WeakPolarHBondContact OD1-CG2 3.4Å; D475-T478 PolarHBondContact OD1-OG1 3.48Å; D475-T478 WeakPolarHBondContact OD2-CG2 3.4Å; D475-T478 PolarHBondContact OD2-N 2.93Å; D475-T478 PolarHBondContact OD2-OG1 3.36Å; D475-V479 WeakPolarHBondContact O-CG2 3.14Å; D475-V479 PolarHBondContact O-N 3.4Å
476A85.1Confident89.1Confident8 Ų844.9 Ų44.97%0.06624%0.24CC..Hα-helixtrans-63.1-33.8-174.200000112.8E449 P452 A455 N480E449-A476 HydrophobicContact CG-CB 4.35Å; P452-A476 WeakPolarHBondContact O-CB 3.42Å; P452-A476 PolarHBondContact O-N 3.25Å; A455-A476 HydrophobicContact CB-CB 4.16Å; A476-N480 WeakPolarHBondContact O-CB 3.25Å; A476-N480 VanDerWaalsContact O-CG 3.22Å; A476-N480 PolarHBondContact O-N 3.43Å; A476-N480 PolarHBondContact O-ND2 3.42Å
477A85.8Confident89.2Confident71 Ų7141.3 Ų41.359%0.58722%0.221SC*.Hα-helixtrans-67.7-47.6179.900000111.3D475 N480 E481D475-A477 VanDerWaalsContact C-N 3.27Å; D475-A477 PolarHBondContact O-N 2.83Å; D475-A477 WeakPolarHBondContact OD2-CB 3.47Å; D475-A477 PolarHBondContact OD2-N 3.08Å; A477-N480 PolarHBondContact O-N 3.24Å; A477-E481 PolarHBondContact O-N 2.85Å
478T89.1Confident88.9Confident33 Ų3340.4 Ų40.420%0.20222%0.217CC..Hα-helixtrans-65.7-40.2177.156.80000112.3S474 D475 E481 I482S474-T478 WeakPolarHBondContact CB-OG1 3.46Å; S474-T478 PolarHBondContact OG-OG1 2.64Å; S474-T478 VanDerWaalsContact OG-OG1 3.05Å; D475-T478 PolarHBondContact O-N 2.86Å; D475-T478 PolarHBondContact O-OG1 3.21Å; D475-T478 WeakPolarHBondContact OD1-CB 3.46Å; D475-T478 WeakPolarHBondContact OD1-CG2 3.4Å; D475-T478 PolarHBondContact OD1-OG1 3.48Å; D475-T478 WeakPolarHBondContact OD2-CG2 3.4Å; D475-T478 PolarHBondContact OD2-N 2.93Å; D475-T478 PolarHBondContact OD2-OG1 3.36Å; T478-E481 PolarHBondContact O-N 2.91Å; T478-I482 WeakPolarHBondContact O-CB 3.48Å; T478-I482 WeakPolarHBondContact O-CD1 3.36Å; T478-I482 VanDerWaalsContact O-CG1 3.24Å; T478-I482 WeakPolarHBondContact O-CG1 3.31Å; T478-I482 PolarHBondContact O-N 2.81Å
479V88.8Confident88.6Confident0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-61.4-46.8176.7170.50000111.4L446 A455 F457 D475 E481 I482 V483L446-V479 HydrophobicContact CD1-CG1 3.57Å; A455-V479 HydrophobicContact CB-CB 3.91Å; A455-V479 HydrophobicContact CB-CG1 4.12Å; A455-V479 HydrophobicContact CB-CG2 3.81Å; F457-V479 HydrophobicContact CB-CG1 3.74Å; F457-V479 HydrophobicContact CD1-CB 4.18Å; F457-V479 HydrophobicContact CD1-CG1 3.68Å; F457-V479 HydrophobicContact CD1-CG2 3.7Å; F457-V479 HydrophobicContact CE1-CG2 4.11Å; F457-V479 HydrophobicContact CG-CG1 4.03Å; D475-V479 WeakPolarHBondContact O-CG2 3.14Å; D475-V479 PolarHBondContact O-N 3.4Å; V479-E481 VanDerWaalsContact C-N 3.31Å; V479-E481 PolarHBondContact O-N 2.91Å; V479-I482 PolarHBondContact O-N 2.85Å; V479-V483 HydrophobicContact CG1-CG2 4.24Å; V479-V483 WeakPolarHBondContact O-CB 3.36Å; V479-V483 VanDerWaalsContact O-CG2 3.28Å; V479-V483 WeakPolarHBondContact O-CG2 3.19Å; V479-V483 PolarHBondContact O-N 3.5Å
480N86.3Confident88.1Confident65 Ų6534.6 Ų34.635%0.34818%0.184SC..Hα-helixtrans-61.8-41.3177.5-75.5-35.7000111.5A476 A477 I482 V483 L484A476-N480 WeakPolarHBondContact O-CB 3.25Å; A476-N480 VanDerWaalsContact O-CG 3.22Å; A476-N480 PolarHBondContact O-N 3.43Å; A476-N480 PolarHBondContact O-ND2 3.42Å; A477-N480 PolarHBondContact O-N 3.24Å; N480-I482 PolarHBondContact O-N 2.94Å; N480-V483 PolarHBondContact O-N 3.26Å; N480-L484 WeakPolarHBondContact O-CB 3.33Å; N480-L484 VanDerWaalsContact O-CG 3.25Å; N480-L484 WeakPolarHBondContact O-CG 3.25Å; N480-L484 PolarHBondContact O-N 2.98Å
481E87.4Confident87.3Confident72 Ų7237 Ų3734%0.33620%0.195SC..Hα-helixtrans-61.3-44.6176-154.3-151.212900112.2K392 F394 A477 T478 V479 K485K392-E481 WeakPolarHBondContact CD-OE1 3.49Å; K392-E481 VanDerWaalsContact CE-OE1 3.26Å; K392-E481 WeakPolarHBondContact CE-OE1 3.17Å; K392-E481 IonicContact NZ-OE1 2.77Å; K392-E481 PolarHBondContact NZ-OE1 2.89Å; K392-E481 IonicContact NZ-OE2 2.72Å; K392-E481 PolarHBondContact NZ-OE2 2.82Å; F394-E481 WeakPolarHBondContact CZ-OE1 3.4Å; A477-E481 PolarHBondContact O-N 2.85Å; T478-E481 PolarHBondContact O-N 2.91Å; V479-E481 VanDerWaalsContact C-N 3.31Å; V479-E481 PolarHBondContact O-N 2.91Å; E481-K485 VanDerWaalsContact O-CB 3.29Å; E481-K485 WeakPolarHBondContact O-CB 3.48Å; E481-K485 PolarHBondContact O-N 2.83Å
482I90.1Very high86.1Confident0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-63.5-48.9178.3-71.1162.6000110.8F394 I396 L410 I412 F457 T478 V479 N480 L484 K485 V486F394-I482 HydrophobicContact CB-CD1 3.95Å; F394-I482 HydrophobicContact CB-CG1 4.49Å; F394-I482 HydrophobicContact CD1-CD1 4.01Å; F394-I482 HydrophobicContact CD1-CG1 3.89Å; F394-I482 HydrophobicContact CD2-CD1 4.11Å; F394-I482 HydrophobicContact CD2-CG1 3.74Å; F394-I482 HydrophobicContact CE1-CG1 3.93Å; F394-I482 HydrophobicContact CE2-CG1 3.8Å; F394-I482 HydrophobicContact CG-CD1 3.76Å; F394-I482 HydrophobicContact CG-CG1 3.78Å; F394-I482 HydrophobicContact CZ-CG1 3.88Å; I396-I482 HydrophobicContact CD1-CD1 4.44Å; I396-I482 HydrophobicContact CG2-CD1 4.11Å; L410-I482 HydrophobicContact CD2-CD1 4.32Å; L410-I482 HydrophobicContact CD2-CG2 4.11Å; I412-I482 HydrophobicContact CD1-CB 4.34Å; I412-I482 HydrophobicContact CD1-CG1 4.22Å; I412-I482 HydrophobicContact CD1-CG2 3.64Å; F457-I482 HydrophobicContact CD2-CG2 4.21Å; F457-I482 HydrophobicContact CE1-CD1 4.06Å; F457-I482 HydrophobicContact CE1-CG2 4.32Å; F457-I482 HydrophobicContact CE2-CG2 3.52Å; F457-I482 HydrophobicContact CZ-CB 4.36Å; F457-I482 HydrophobicContact CZ-CD1 3.98Å; F457-I482 HydrophobicContact CZ-CG2 3.58Å; T478-I482 WeakPolarHBondContact O-CB 3.48Å; T478-I482 WeakPolarHBondContact O-CD1 3.36Å; T478-I482 VanDerWaalsContact O-CG1 3.24Å; T478-I482 WeakPolarHBondContact O-CG1 3.31Å; T478-I482 PolarHBondContact O-N 2.81Å; V479-I482 PolarHBondContact O-N 2.85Å; N480-I482 PolarHBondContact O-N 2.94Å; I482-L484 VanDerWaalsContact C-N 3.33Å; I482-L484 PolarHBondContact O-N 2.65Å; I482-K485 PolarHBondContact O-N 2.98Å; I482-V486 HydrophobicContact CG2-CG2 4.35Å; I482-V486 WeakPolarHBondContact O-CG2 3.34Å; I482-V486 PolarHBondContact O-N 3.03Å
483V87.8Confident84.8Confident17 Ų1736.8 Ų36.810%0.10320%0.196CC..Hα-helixtrans-60.6-45-179.3170.90000110.3F457 V479 N480 N487F457-V483 HydrophobicContact CB-CG2 3.79Å; F457-V483 HydrophobicContact CD2-CG2 4.36Å; F457-V483 HydrophobicContact CG-CG2 4.2Å; V479-V483 HydrophobicContact CG1-CG2 4.24Å; V479-V483 WeakPolarHBondContact O-CB 3.36Å; V479-V483 VanDerWaalsContact O-CG2 3.28Å; V479-V483 WeakPolarHBondContact O-CG2 3.19Å; V479-V483 PolarHBondContact O-N 3.5Å; N480-V483 PolarHBondContact O-N 3.26Å; V483-N487 WeakPolarHBondContact CG1-ND2 3.42Å; V483-N487 VanDerWaalsContact O-CB 3.31Å; V483-N487 WeakPolarHBondContact O-CB 3.46Å; V483-N487 PolarHBondContact O-N 2.94Å; V483-N487 PolarHBondContact O-ND2 2.87Å; V483-N487 VanDerWaalsContact O-ND2 3.1Å
484L85.3Confident83.3Confident91 Ų9137.2 Ų37.248%0.47621%0.208SC..Hα-helixtrans-60.6-50.2175.4-74.9169.3000111.6N480 I482 V486 N487 Y488N480-L484 WeakPolarHBondContact O-CB 3.33Å; N480-L484 VanDerWaalsContact O-CG 3.25Å; N480-L484 WeakPolarHBondContact O-CG 3.25Å; N480-L484 PolarHBondContact O-N 2.98Å; I482-L484 VanDerWaalsContact C-N 3.33Å; I482-L484 PolarHBondContact O-N 2.65Å; L484-V486 PolarHBondContact O-N 2.58Å; L484-N487 PolarHBondContact O-N 3.41Å; L484-Y488 HydrophobicContact CB-CE2 4.3Å; L484-Y488 VanDerWaalsContact O-CD2 3.27Å; L484-Y488 WeakPolarHBondContact O-CD2 3.47Å; L484-Y488 PolarHBondContact O-N 3.27Å
485K88Confident82Confident18 Ų1837.2 Ų37.28%0.07821%0.207CC..Hα-helixtrans-58.1-46.9-179.8-172.8179.2177.776.20112.1S387 S388 H390 K392 F394 I412 E481 I482 Y488 I489S387-K485 PolarHBondContact O-NZ 2.95Å; S388-K485 WeakPolarHBondContact O-CE 3.49Å; S388-K485 PolarHBondContact O-NZ 3.01Å; H390-K485 WeakPolarHBondContact O-CE 3.44Å; H390-K485 PolarHBondContact O-NZ 3.47Å; K392-K485 HydrophobicContact CB-CD 4.43Å; F394-K485 HydrophobicContact CE2-CD 4.38Å; I412-K485 HydrophobicContact CB-CD 4.24Å; I412-K485 HydrophobicContact CG2-CD 4.06Å; I412-K485 HydrophobicContact CG2-CG 4.26Å; I412-K485 WeakPolarHBondContact O-CE 3.26Å; E481-K485 VanDerWaalsContact O-CB 3.29Å; E481-K485 WeakPolarHBondContact O-CB 3.48Å; E481-K485 PolarHBondContact O-N 2.83Å; I482-K485 PolarHBondContact O-N 2.98Å; K485-Y488 PolarHBondContact O-N 2.93Å; K485-I489 HydrophobicContact CG-CD1 4.4Å; K485-I489 WeakPolarHBondContact O-CG1 3.32Å; K485-I489 PolarHBondContact O-N 3.17Å; K485-I489 VanDerWaalsContact O-N 3.11Å
486V86.6Confident80.9Confident1 Ų139.7 Ų39.71%0.00623%0.225CC..Hα-helixtrans-68-40.1179.9178.50000111I412 C444 I482 L484 I489 L490I412-V486 HydrophobicContact CD1-CG2 3.82Å; I412-V486 HydrophobicContact CG2-CG2 4.01Å; C444-V486 HydrophobicContact CB-CB 3.83Å; C444-V486 HydrophobicContact CB-CG1 3.51Å; I482-V486 HydrophobicContact CG2-CG2 4.35Å; I482-V486 WeakPolarHBondContact O-CG2 3.34Å; I482-V486 PolarHBondContact O-N 3.03Å; L484-V486 PolarHBondContact O-N 2.58Å; V486-I489 PolarHBondContact O-N 3.37Å; V486-L490 HydrophobicContact CG1-CD1 3.98Å; V486-L490 HydrophobicContact CG1-CG 4.26Å; V486-L490 WeakPolarHBondContact O-CB 2.8Å; V486-L490 VanDerWaalsContact O-CG 3.27Å; V486-L490 WeakPolarHBondContact O-CG 3.33Å; V486-L490 PolarHBondContact O-N 3.03Å
487N84.9Confident80.2Confident39 Ų3940.2 Ų40.221%0.20923%0.228CC..Hα-helixtrans-65.7-39.2177.4-76.1-34.6000112.2C444 V483 L484 I489 L490 E491C444-N487 PolarHBondContact O-ND2 3.36Å; C444-N487 VanDerWaalsContact O-ND2 3.13Å; C444-N487 PolarHBondContact O-OD1 3.46Å; V483-N487 WeakPolarHBondContact CG1-ND2 3.42Å; V483-N487 VanDerWaalsContact O-CB 3.31Å; V483-N487 WeakPolarHBondContact O-CB 3.46Å; V483-N487 PolarHBondContact O-N 2.94Å; V483-N487 PolarHBondContact O-ND2 2.87Å; V483-N487 VanDerWaalsContact O-ND2 3.1Å; L484-N487 PolarHBondContact O-N 3.41Å; N487-I489 PolarHBondContact O-N 3.12Å; N487-L490 CarbonylContact O-C 3.51Å; N487-L490 PolarHBondContact O-N 3Å; N487-L490 VanDerWaalsContact O-N 3.15Å; N487-E491 WeakPolarHBondContact O-CB 3.46Å; N487-E491 VanDerWaalsContact O-CG 3.31Å; N487-E491 WeakPolarHBondContact O-CG 3.48Å; N487-E491 PolarHBondContact O-N 3.21Å
488Y82.1Confident79.7Confident47 Ų4739.5 Ų39.518%0.18421%0.21CC..Hα-helixtrans-61.7-41.7172.4-69.5-35.4000113D384 M385 L484 K485 L490 E491 S492D384-Y488 HydrophobicContact CB-CE2 4.06Å; M385-Y488 HydrophobicContact CB-CG 4.47Å; M385-Y488 HydrophobicContact CG-CD1 3.43Å; M385-Y488 VanDerWaalsContact CG-CD1 3.43Å; M385-Y488 HydrophobicContact CG-CD2 4.4Å; M385-Y488 HydrophobicContact CG-CE1 3.87Å; M385-Y488 HydrophobicContact CG-CG 3.73Å; M385-Y488 HydrophobicContact SD-CD1 4.37Å; L484-Y488 HydrophobicContact CB-CE2 4.3Å; L484-Y488 VanDerWaalsContact O-CD2 3.27Å; L484-Y488 WeakPolarHBondContact O-CD2 3.47Å; L484-Y488 PolarHBondContact O-N 3.27Å; K485-Y488 PolarHBondContact O-N 2.93Å; Y488-L490 VanDerWaalsContact C-N 3.33Å; Y488-L490 PolarHBondContact O-N 3.07Å; Y488-E491 PolarHBondContact O-N 2.92Å; Y488-S492 VanDerWaalsContact O-CB 3.28Å; Y488-S492 WeakPolarHBondContact O-CB 3.29Å; Y488-S492 PolarHBondContact O-N 2.99Å; Y488-S492 PolarHBondContact O-OG 3.03Å; Y488-S492 VanDerWaalsContact O-OG 3.07Å
489I82.3Confident78.9Confident2 Ų240.3 Ų40.31%0.0122%0.22CC..Hα-helixtrans-60.4-46.6172.7-66.5162.9000109.9S388 I412 K485 V486 N487 E491 S492 R493S388-I489 WeakPolarHBondContact O-CD1 3.36Å; I412-I489 HydrophobicContact CG2-CD1 3.64Å; K485-I489 HydrophobicContact CG-CD1 4.4Å; K485-I489 WeakPolarHBondContact O-CG1 3.32Å; K485-I489 PolarHBondContact O-N 3.17Å; K485-I489 VanDerWaalsContact O-N 3.11Å; V486-I489 PolarHBondContact O-N 3.37Å; N487-I489 PolarHBondContact O-N 3.12Å; I489-E491 VanDerWaalsContact C-N 3.33Å; I489-E491 PolarHBondContact O-N 2.76Å; I489-S492 PolarHBondContact O-OG 3.24Å; I489-R493 WeakPolarHBondContact O-CB 3.27Å; I489-R493 PolarHBondContact O-N 2.73Å
490L80.9Confident78.3Confident8 Ų845.2 Ų45.24%0.04225%0.246CC..Hα-helixtrans-66.4-30.6-179.6-72.1173.7000113.3L441 V486 N487 Y488 R498L441-L490 HydrophobicContact CB-CD2 3.67Å; V486-L490 HydrophobicContact CG1-CD1 3.98Å; V486-L490 HydrophobicContact CG1-CG 4.26Å; V486-L490 WeakPolarHBondContact O-CB 2.8Å; V486-L490 VanDerWaalsContact O-CG 3.27Å; V486-L490 WeakPolarHBondContact O-CG 3.33Å; V486-L490 PolarHBondContact O-N 3.03Å; N487-L490 CarbonylContact O-C 3.51Å; N487-L490 PolarHBondContact O-N 3Å; N487-L490 VanDerWaalsContact O-N 3.15Å; Y488-L490 VanDerWaalsContact C-N 3.33Å; Y488-L490 PolarHBondContact O-N 3.07Å; L490-R498 PolarHBondContact O-NH1 2.83Å
491E76.3Confident77.9Confident80 Ų8043.6 Ų43.637%0.37424%0.236SC..Hα-helixtrans-82.5-38.1-179.4-77170.2-171.500112.3N487 Y488 I489 R493N487-E491 WeakPolarHBondContact O-CB 3.46Å; N487-E491 VanDerWaalsContact O-CG 3.31Å; N487-E491 WeakPolarHBondContact O-CG 3.48Å; N487-E491 PolarHBondContact O-N 3.21Å; Y488-E491 PolarHBondContact O-N 2.92Å; I489-E491 VanDerWaalsContact C-N 3.33Å; I489-E491 PolarHBondContact O-N 2.76Å; E491-R493 PolarHBondContact O-N 3.08Å
492S68.4Low77.4Confident16 Ų1643.7 Ų43.711%0.11224%0.235CC..Hα-helixtrans-68-15.9175.569.60000113.9H389 Y488 I489H389-S492 PolarHBondContact CE1-OG 3.1Å; H389-S492 PolarHBondContact NE2-OG 3.03Å; Y488-S492 VanDerWaalsContact O-CB 3.28Å; Y488-S492 WeakPolarHBondContact O-CB 3.29Å; Y488-S492 PolarHBondContact O-N 2.99Å; Y488-S492 PolarHBondContact O-OG 3.03Å; Y488-S492 VanDerWaalsContact O-OG 3.07Å; I489-S492 PolarHBondContact O-OG 3.24Å
493R68.5Low76.7Confident78 Ų7845.4 Ų45.429%0.29425%0.249SC..SBendtrans-117.3119.7-177.6-70.6-173.4164.1-1451.5111.2G414 D439 I489 E491 S495G414-R493 PolarHBondContact O-NE 3.35Å; G414-R493 VanDerWaalsContact O-NE 3.15Å; G414-R493 PolarHBondContact O-NH1 3.03Å; G414-R493 PolarHBondContact O-NH2 3.46Å; D439-R493 IonicContact OD1-NH1 2.85Å; D439-R493 PolarHBondContact OD1-NH1 2.94Å; I489-R493 WeakPolarHBondContact O-CB 3.27Å; I489-R493 PolarHBondContact O-N 2.73Å; E491-R493 PolarHBondContact O-N 3.08Å; R493-S495 PolarHBondContact O-N 3.25Å; R493-S495 VanDerWaalsContact O-N 3.12Å
494A60.5Low76Confident58 Ų5848.2 Ų48.248%0.47926%0.261SS..  trans-74.1100.7167.700000110.1
495S67.1Low75.6Confident21 Ų2147.6 Ų47.615%0.14726%0.255CS..  trans-103.9130.4173.7169.20000111.3D439 R493 S497 R498 A499D439-S495 PolarHBondContact O-OG 2.94Å; R493-S495 PolarHBondContact O-N 3.25Å; R493-S495 VanDerWaalsContact O-N 3.12Å; S495-S497 VanDerWaalsContact C-N 3.32Å; S495-S497 PolarHBondContact OG-N 2.91Å; S495-R498 PolarHBondContact O-N 3.45Å; S495-R498 PolarHBondContact OG-N 3.45Å; S495-A499 PolarHBondContact O-N 3.49Å
496T67.8Low74.9Confident109 Ų10952.9 Ų52.967%0.66928%0.28SS*.Hα-helixtrans-65.3-35.7173.450.20000111.7R498 A499 D500T496-R498 VanDerWaalsContact C-N 3.32Å; T496-R498 PolarHBondContact O-N 3.06Å; T496-A499 PolarHBondContact O-N 2.86Å; T496-D500 PolarHBondContact O-N 3.12Å
497S70.3Confident74.3Confident19 Ų1961.2 Ų61.213%0.13331%0.311CS..Hα-helixtrans-64.3-35.7176.7-62.40000112.3S495 Y501S495-S497 VanDerWaalsContact C-N 3.32Å; S495-S497 PolarHBondContact OG-N 2.91Å; S497-Y501 WeakPolarHBondContact O-CB 3.49Å; S497-Y501 PolarHBondContact O-N 3.17Å
498R75.7Confident73.7Confident56 Ų5665.2 Ų65.221%0.21133%0.326CS..Hα-helixtrans-64.6-48.5171.4179.4177.3175.2161.87.7110.9L490 S495 T496 D500 Y501 F502L490-R498 PolarHBondContact O-NH1 2.83Å; S495-R498 PolarHBondContact O-N 3.45Å; S495-R498 PolarHBondContact OG-N 3.45Å; T496-R498 VanDerWaalsContact C-N 3.32Å; T496-R498 PolarHBondContact O-N 3.06Å; R498-D500 PolarHBondContact O-N 3.22Å; R498-Y501 WeakPolarHBondContact O-CB 3.43Å; R498-Y501 PolarHBondContact O-N 2.92Å; R498-F502 HydrophobicContact CG-CD2 3.78Å; R498-F502 HydrophobicContact CG-CE2 3.76Å; R498-F502 VanDerWaalsContact O-CD2 3.32Å; R498-F502 WeakPolarHBondContact O-CD2 3.41Å; R498-F502 PolarHBondContact O-N 3.03Å
499A71.2Confident73Confident50 Ų5067.1 Ų67.141%0.41334%0.339SS..Hα-helixtrans-59.1-46.2179.700000112.2S495 T496 Y501 F502 A503S495-A499 PolarHBondContact O-N 3.49Å; T496-A499 PolarHBondContact O-N 2.86Å; A499-Y501 VanDerWaalsContact C-N 3.35Å; A499-Y501 PolarHBondContact O-N 3.07Å; A499-F502 PolarHBondContact O-N 3.44Å; A499-A503 WeakPolarHBondContact O-CB 3.44Å; A499-A503 PolarHBondContact O-N 3.3Å
500D76.4Confident72.2Confident103 Ų10370.3 Ų70.355%0.55136%0.362SS*.Hα-helixtrans-64-38.4177.4-74.7-24.6000112.4T496 R498 A503 Q504T496-D500 PolarHBondContact O-N 3.12Å; R498-D500 PolarHBondContact O-N 3.22Å; D500-A503 PolarHBondContact O-N 2.94Å; D500-Q504 VanDerWaalsContact O-CB 3.31Å; D500-Q504 WeakPolarHBondContact O-CB 3.23Å; D500-Q504 PolarHBondContact O-N 2.85Å
501Y78.6Confident71.4Confident31 Ų3178.3 Ų78.312%0.12239%0.392CS..Hα-helixtrans-61.8-48.2175.4175.6-104.1000111.8C442 A443 T460 Y467 S497 R498 A499 Q504 K505C442-Y501 HydrophobicContact CB-CD1 4.08Å; C442-Y501 HydrophobicContact CB-CD2 4.31Å; C442-Y501 HydrophobicContact CB-CG 3.87Å; A443-Y501 HydrophobicContact CB-CD1 4.48Å; A443-Y501 HydrophobicContact CB-CE1 3.9Å; T460-Y501 HydrophobicContact CG2-CD2 4.47Å; T460-Y501 HydrophobicContact CG2-CE2 3.84Å; Y467-Y501 AromaticContact CD1-CD2 3.58Å; Y467-Y501 HydrophobicContact CD1-CD2 3.58Å; Y467-Y501 HydrophobicContact CD1-CE2 4.33Å; Y467-Y501 HydrophobicContact CD1-CG 4.35Å; Y467-Y501 HydrophobicContact CD2-CD2 4.08Å; Y467-Y501 AromaticContact CE1-CD2 3.7Å; Y467-Y501 HydrophobicContact CE1-CD2 3.7Å; Y467-Y501 HydrophobicContact CE1-CG 4.12Å; Y467-Y501 HydrophobicContact CE2-CD2 4.19Å; Y467-Y501 AromaticContact CG-CD2 3.77Å; Y467-Y501 HydrophobicContact CG-CD2 3.77Å; Y467-Y501 HydrophobicContact CG-CE2 4.25Å; Y467-Y501 WeakPolarHBondContact OH-CA 3.45Å; Y467-Y501 PolarHBondContact OH-N 3.34Å; S497-Y501 WeakPolarHBondContact O-CB 3.49Å; S497-Y501 PolarHBondContact O-N 3.17Å; R498-Y501 WeakPolarHBondContact O-CB 3.43Å; R498-Y501 PolarHBondContact O-N 2.92Å; A499-Y501 VanDerWaalsContact C-N 3.35Å; A499-Y501 PolarHBondContact O-N 3.07Å; Y501-Q504 PolarHBondContact O-N 3.27Å; Y501-K505 HydrophobicContact CE1-CD 4.23Å; Y501-K505 WeakPolarHBondContact O-CB 3.31Å; Y501-K505 PolarHBondContact O-N 3.28Å
502F77.3Confident70.6Confident74 Ų7483.5 Ų83.533%0.32541%0.408SS..Hα-helixtrans-65.7-41.5178.2-84.2-78.1000111.9R498 A499 Q504 K505 Q506R498-F502 HydrophobicContact CG-CD2 3.78Å; R498-F502 HydrophobicContact CG-CE2 3.76Å; R498-F502 VanDerWaalsContact O-CD2 3.32Å; R498-F502 WeakPolarHBondContact O-CD2 3.41Å; R498-F502 PolarHBondContact O-N 3.03Å; A499-F502 PolarHBondContact O-N 3.44Å; F502-Q504 VanDerWaalsContact C-N 3.34Å; F502-Q504 PolarHBondContact O-N 2.9Å; F502-K505 PolarHBondContact O-N 2.87Å; F502-Q506 WeakPolarHBondContact O-CB 3.3Å; F502-Q506 WeakPolarHBondContact O-CG 3.41Å; F502-Q506 PolarHBondContact O-N 3.3Å
503A74.8Confident70.1Confident35 Ų3586.7 Ų86.729%0.28943%0.426SS..Hα-helixtrans-61.2-41.4173.700000111.8A499 D500 R507A499-A503 WeakPolarHBondContact O-CB 3.44Å; A499-A503 PolarHBondContact O-N 3.3Å; D500-A503 PolarHBondContact O-N 2.94Å; A503-R507 WeakPolarHBondContact O-CB 3.43Å; A503-R507 VanDerWaalsContact O-CG 3.23Å; A503-R507 WeakPolarHBondContact O-CG 3.32Å; A503-R507 PolarHBondContact O-N 3.5Å
504Q74Confident69.4Low77 Ų7786 Ų8636%0.3643%0.433SS..Hα-helixtrans-68.5-38.8176.3-159.8-167.948.800112D500 Y501 F502 R507 K508D500-Q504 VanDerWaalsContact O-CB 3.31Å; D500-Q504 WeakPolarHBondContact O-CB 3.23Å; D500-Q504 PolarHBondContact O-N 2.85Å; Y501-Q504 PolarHBondContact O-N 3.27Å; F502-Q504 VanDerWaalsContact C-N 3.34Å; F502-Q504 PolarHBondContact O-N 2.9Å; Q504-R507 PolarHBondContact O-N 3.33Å; Q504-K508 WeakPolarHBondContact O-CB 3.49Å; Q504-K508 WeakPolarHBondContact O-CG 3.41Å; Q504-K508 PolarHBondContact O-N 3.49Å
505K76.2Confident68.9Low78 Ų7890.2 Ų90.234%0.33944%0.441SS..Hα-helixtrans-63.1-46.1175.2-172.4178.4177.7-177.20110.9Y501 F502 K508 L509Y501-K505 HydrophobicContact CE1-CD 4.23Å; Y501-K505 WeakPolarHBondContact O-CB 3.31Å; Y501-K505 PolarHBondContact O-N 3.28Å; F502-K505 PolarHBondContact O-N 2.87Å; K505-K508 PolarHBondContact O-N 2.84Å; K505-L509 HydrophobicContact CG-CD1 4.22Å; K505-L509 WeakPolarHBondContact O-CB 3.49Å; K505-L509 WeakPolarHBondContact O-CG 3.35Å; K505-L509 PolarHBondContact O-N 3.35Å
506Q72.8Confident68.1Low129 Ų12992.3 Ų92.360%0.60346%0.456SS*.Hα-helixtrans-63.8-40.9175-75.4-176.8-5.500112.4F502 K508 L509 S510F502-Q506 WeakPolarHBondContact O-CB 3.3Å; F502-Q506 WeakPolarHBondContact O-CG 3.41Å; F502-Q506 PolarHBondContact O-N 3.3Å; Q506-K508 PolarHBondContact O-N 2.81Å; Q506-L509 PolarHBondContact O-N 2.81Å; Q506-S510 VanDerWaalsContact O-CB 3.31Å; Q506-S510 WeakPolarHBondContact O-CB 3.21Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q506-S510 PolarHBondContact O-OG 3.38Å
507R74.3Confident67.2Low176 Ų17694.2 Ų94.266%0.66446%0.455SS*.Hα-helixtrans-61.9-41.2173.3-74.2171.6-174.2171.84.4112.1A503 Q504 R511A503-R507 WeakPolarHBondContact O-CB 3.43Å; A503-R507 VanDerWaalsContact O-CG 3.23Å; A503-R507 WeakPolarHBondContact O-CG 3.32Å; A503-R507 PolarHBondContact O-N 3.5Å; Q504-R507 PolarHBondContact O-N 3.33Å; R507-R511 WeakPolarHBondContact O-CB 3.31Å; R507-R511 WeakPolarHBondContact O-CG 3.36Å; R507-R511 PolarHBondContact O-N 2.93Å
508K72.3Confident66.1Low122 Ų122100 Ų10053%0.5348%0.48SS..Hα-helixtrans-66.6-40.4175.7-76.4177.1179.1172.30112Q504 K505 Q506 R512Q504-K508 WeakPolarHBondContact O-CB 3.49Å; Q504-K508 WeakPolarHBondContact O-CG 3.41Å; Q504-K508 PolarHBondContact O-N 3.49Å; K505-K508 PolarHBondContact O-N 2.84Å; Q506-K508 PolarHBondContact O-N 2.81Å; K508-R512 WeakPolarHBondContact O-CG 3.39Å; K508-R512 PolarHBondContact O-N 2.89Å; K508-R512 VanDerWaalsContact O-N 3.1Å
509L67Low64.5Low87 Ų87105.3 Ų105.346%0.45551%0.505SS..Hα-helixtrans-66-46175.2-74.6165.9000111.6K505 Q506 R511 R512 T513K505-L509 HydrophobicContact CG-CD1 4.22Å; K505-L509 WeakPolarHBondContact O-CB 3.49Å; K505-L509 WeakPolarHBondContact O-CG 3.35Å; K505-L509 PolarHBondContact O-N 3.35Å; Q506-L509 PolarHBondContact O-N 2.81Å; L509-R511 VanDerWaalsContact C-N 3.31Å; L509-R511 PolarHBondContact O-N 2.96Å; L509-R512 CarbonylContact O-C 3.55Å; L509-R512 WeakPolarHBondContact O-CA 3.32Å; L509-R512 WeakPolarHBondContact O-CB 3.48Å; L509-R512 PolarHBondContact O-N 3.01Å; L509-T513 PolarHBondContact O-N 3.06Å; L509-T513 PolarHBondContact O-OG1 3.42Å
510S65.1Low63.3Low70 Ų70109.7 Ų109.749%0.4952%0.517SS..Hα-helixtrans-62.2-36.7177.4-580000112.3Q506 T513 S514Q506-S510 VanDerWaalsContact O-CB 3.31Å; Q506-S510 WeakPolarHBondContact O-CB 3.21Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q506-S510 PolarHBondContact O-OG 3.38Å; S510-T513 WeakPolarHBondContact CA-OG1 3.45Å; S510-T513 PolarHBondContact O-N 2.8Å; S510-T513 PolarHBondContact O-OG1 3.28Å; S510-S514 WeakPolarHBondContact O-CB 3.44Å; S510-S514 PolarHBondContact O-N 3.15Å; S510-S514 PolarHBondContact O-OG 2.94Å
511R65.2Low62Low176 Ų176113.7 Ų113.766%0.66453%0.529SS*.Hα-helixtrans-63.8-42.6170.9-75.9177.3-179.5-174.20.3111.4R507 L509 S514 F515R507-R511 WeakPolarHBondContact O-CB 3.31Å; R507-R511 WeakPolarHBondContact O-CG 3.36Å; R507-R511 PolarHBondContact O-N 2.93Å; L509-R511 VanDerWaalsContact C-N 3.31Å; L509-R511 PolarHBondContact O-N 2.96Å; R511-S514 WeakPolarHBondContact CA-OG 3.31Å; R511-S514 PolarHBondContact O-N 2.9Å; R511-S514 PolarHBondContact O-OG 3.38Å; R511-F515 WeakPolarHBondContact O-CD2 3.41Å; R511-F515 PolarHBondContact O-N 3.46Å
512R58.9Low60.5Low189 Ų189121.3 Ų121.371%0.71356%0.563SS**Hα-helixtrans-65.8-35.3177.3-74.7173.866.6172.7-0.1112.7K508 L509 S516K508-R512 WeakPolarHBondContact O-CG 3.39Å; K508-R512 PolarHBondContact O-N 2.89Å; K508-R512 VanDerWaalsContact O-N 3.1Å; L509-R512 CarbonylContact O-C 3.55Å; L509-R512 WeakPolarHBondContact O-CA 3.32Å; L509-R512 WeakPolarHBondContact O-CB 3.48Å; L509-R512 PolarHBondContact O-N 3.01Å; R512-S516 PolarHBondContact O-N 3.1Å; R512-S516 PolarHBondContact O-OG 3.41Å; R512-S516 VanDerWaalsContact O-OG 3.06Å
513T58.8Low59.2Low82 Ų82123.4 Ų123.450%0.50358%0.582SS.*Hα-helixtrans-74.6-35.6174.957.10000112.1L509 S510 F515 S516 F517L509-T513 PolarHBondContact O-N 3.06Å; L509-T513 PolarHBondContact O-OG1 3.42Å; S510-T513 WeakPolarHBondContact CA-OG1 3.45Å; S510-T513 PolarHBondContact O-N 2.8Å; S510-T513 PolarHBondContact O-OG1 3.28Å; T513-F515 VanDerWaalsContact C-N 3.32Å; T513-F515 PolarHBondContact O-N 3.38Å; T513-S516 VanDerWaalsContact CA-OG 3.31Å; T513-S516 WeakPolarHBondContact CA-OG 3.37Å; T513-S516 PolarHBondContact O-N 3Å; T513-S516 PolarHBondContact O-OG 3.18Å; T513-F517 PolarHBondContact O-N 3.32Å; T513-F517 VanDerWaalsContact O-N 3.15Å
514S53.1Low58.1Low63 Ų63124.8 Ų124.844%0.44160%0.599SS.*Hα-helixtrans-66.8-31173.462.70000113.4S510 R511 Q518S510-S514 WeakPolarHBondContact O-CB 3.44Å; S510-S514 PolarHBondContact O-N 3.15Å; S510-S514 PolarHBondContact O-OG 2.94Å; R511-S514 WeakPolarHBondContact CA-OG 3.31Å; R511-S514 PolarHBondContact O-N 2.9Å; R511-S514 PolarHBondContact O-OG 3.38Å; S514-Q518 PolarHBondContact O-N 3.25Å
515F50.4Low56.4Low148 Ų148133.7 Ų133.765%0.64964%0.641SS**Hα-helixtrans-74.5-27.1174.8-90.9-71.2000113.4R511 T513R511-F515 WeakPolarHBondContact O-CD2 3.41Å; R511-F515 PolarHBondContact O-N 3.46Å; T513-F515 VanDerWaalsContact C-N 3.32Å; T513-F515 PolarHBondContact O-N 3.38Å
516S51.1Low55.4Low65 Ų65136.5 Ų136.546%0.45566%0.656SS.*Hα-helixtrans-76-40.317430.20000111.4R512 T513 Q518 K519 E520R512-S516 PolarHBondContact O-N 3.1Å; R512-S516 PolarHBondContact O-OG 3.41Å; R512-S516 VanDerWaalsContact O-OG 3.06Å; T513-S516 VanDerWaalsContact CA-OG 3.31Å; T513-S516 WeakPolarHBondContact CA-OG 3.37Å; T513-S516 PolarHBondContact O-N 3Å; T513-S516 PolarHBondContact O-OG 3.18Å; S516-Q518 PolarHBondContact O-N 3.06Å; S516-K519 PolarHBondContact O-N 3.41Å; S516-K519 VanDerWaalsContact O-N 3.11Å; S516-E520 PolarHBondContact O-N 3.11Å
517F47.6Very low54.5Low148 Ų148136.9 Ų136.965%0.64966%0.659SS**Hα-helixtrans-65.3-32175.6-105.9-86.8000114.3T513 K519T513-F517 PolarHBondContact O-N 3.32Å; T513-F517 VanDerWaalsContact O-N 3.15Å; F517-K519 VanDerWaalsContact C-N 3.29Å
518Q47.1Very low53.4Low142 Ų142134.7 Ų134.766%0.66466%0.659SS**Hα-helixtrans-74.3-19.1173.9-81.2-170.3-9.900113.6S514 S516S514-Q518 PolarHBondContact O-N 3.25Å; S516-Q518 PolarHBondContact O-N 3.06Å
519K43.5Very low52.3Low167 Ų167135.5 Ų135.573%0.72667%0.666SS**Hα-helixtrans-80.1-34.9178.5-152.2176.5-177-176.80111.7S516 F517S516-K519 PolarHBondContact O-N 3.41Å; S516-K519 VanDerWaalsContact O-N 3.11Å; F517-K519 VanDerWaalsContact C-N 3.29Å
520E44.9Very low51.3Low142 Ų142138.5 Ų138.566%0.66468%0.68SS**Hα-helixtrans-73.9-29.4176.9-73.4-174.1154.700113.5S516 K522 T523S516-E520 PolarHBondContact O-N 3.11Å; E520-K522 PolarHBondContact O-N 3.29Å; E520-T523 PolarHBondContact O-N 3.26Å; E520-T523 PolarHBondContact O-OG1 3.45Å
521K48.3Very low50.4Low187 Ų187143.1 Ų143.181%0.81369%0.692SS**THydrogen-bonded Turntrans-71.6-11.3175.8-94.4-174.5175.8-179.50114.9
522K48.6Very low49.4Very low190 Ų190140.7 Ų140.783%0.82669%0.694SS**THydrogen-bonded Turntrans-99.9-5177.6-90.5-172.2175.2-176.70114.5E520E520-K522 PolarHBondContact O-N 3.29Å
523T49Very low48.6Very low119 Ų119137 Ų13773%0.7369%0.693SS**SBendtrans-107.810.2178.846.20000113.5E520E520-T523 PolarHBondContact O-N 3.26Å; E520-T523 PolarHBondContact O-OG1 3.45Å
524G52.1Low47.8Very low63 Ų63141.6 Ų141.665%0.64971%0.709SS**  trans-118.263.6173.300000111.7
525Q37.8Very low47.3Very low265 Ų265148.7 Ų148.7100%1.23873%0.733SS**  trans-1500156.5-113.3-176.312.100109.7

Retrieved 525 of 525 residues in 352.8 ms (Link to these results)

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