A0A077ZD42_TRITR Loading...

GTP cyclohydrolase 1

AlphaFold DB , UniProt , Accession A0A077ZD42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low40.4Very low243 Ų243128.7 Ų128.7100%1.19777%0.771SS**  0107.40-70.3175.7-169.500107.3G3M1-G3 PolarHBondContact O-N 3.19Å; M1-G3 VanDerWaalsContact O-N 3.08Å
2N35.7Very low42.4Very low166 Ų166126.6 Ų126.689%0.88876%0.762SS**  trans-69.1101.2177-79.8-10.3000108.5T4N2-T4 PolarHBondContact O-N 2.92Å; N2-T4 VanDerWaalsContact O-N 3.08Å
3G34.6Very low44.5Very low69 Ų69123.9 Ų123.971%0.71175%0.747SS**  trans-72.196.1171.300000108.9M1 V5M1-G3 PolarHBondContact O-N 3.19Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-V5 VanDerWaalsContact C-N 3.33Å; G3-V5 PolarHBondContact O-N 3.32Å
4T37.8Very low46.7Very low132 Ų132121.7 Ų121.781%0.8173%0.729SS**  trans-58.996.4167.5-43.10000107.8N2 A6N2-T4 PolarHBondContact O-N 2.92Å; N2-T4 VanDerWaalsContact O-N 3.08Å; T4-A6 PolarHBondContact O-N 3.32Å
5V38.1Very low49.5Very low131 Ų131119.5 Ų119.579%0.79471%0.712SS**  trans-65.296.8165178.30000105.1G3 K7G3-V5 VanDerWaalsContact C-N 3.33Å; G3-V5 PolarHBondContact O-N 3.32Å; V5-K7 PolarHBondContact O-N 2.77Å
6A35.2Very low52.2Low72 Ų72118.9 Ų118.960%0.59569%0.694SS**  trans-50117170.300000106.8T4 L8T4-A6 PolarHBondContact O-N 3.32Å; A6-L8 VanDerWaalsContact C-N 3.28Å; A6-L8 PolarHBondContact O-N 3.36Å
7K35.3Very low54.8Low207 Ų207113.9 Ų113.990%0.966%0.663SS**  trans-55.4101.3167.9-76.7-175.8174.9-178.40105.7V5 G9V5-K7 PolarHBondContact O-N 2.77Å; K7-G9 PolarHBondContact O-N 3.26Å
8L40Very low57.1Low162 Ų162111.1 Ų111.185%0.84865%0.651SS**  trans-51.2117.8166.9-89.797.7000105.3A6 S10A6-L8 VanDerWaalsContact C-N 3.28Å; A6-L8 PolarHBondContact O-N 3.36Å; L8-S10 PolarHBondContact O-N 2.86Å
9G42Very low59.2Low72 Ų72108.2 Ų108.274%0.74264%0.641SS**  trans-50115.7176.800000107.7K7 N11K7-G9 PolarHBondContact O-N 3.26Å; G9-N11 PolarHBondContact O-N 3.12Å
10S49Very low61.2Low78 Ų78104.9 Ų104.955%0.54562%0.62SS.*  trans-56.2107.8176.142.30000107.6L8 P12 D15L8-S10 PolarHBondContact O-N 2.86Å; S10-P12 WeakPolarHBondContact O-CD 3.41Å; S10-D15 WeakPolarHBondContact CB-OD2 3.21Å
11N57.5Low62.9Low84 Ų84102.5 Ų102.545%0.44960%0.603SS.*  trans-67.4113.9169-176.6-18.4000105.7G9 T13 N14 D15G9-N11 PolarHBondContact O-N 3.12Å; N11-T13 PolarHBondContact O-N 3.28Å; N11-T13 PolarHBondContact OD1-N 2.83Å; N11-N14 HydrophobicContact CB-CB 4.23Å; N11-N14 PolarHBondContact O-N 2.88Å; N11-D15 PolarHBondContact O-N 3.44Å
12P64.3Low65.7Low103 Ų10394.5 Ų94.567%0.66957%0.571SS**Hα-helixtrans-53.5-30.5-173.1-25.834.4000112.7S10 R16S10-P12 WeakPolarHBondContact O-CD 3.41Å; P12-R16 WeakPolarHBondContact O-CB 3.26Å; P12-R16 PolarHBondContact O-N 2.86Å
13T69.7Low68.7Low92 Ų9290.2 Ų90.256%0.56455%0.553SS**Hα-helixtrans-66.8-41.6176.2-50.70000112.7N11 D15 R16 L17N11-T13 PolarHBondContact O-N 3.28Å; N11-T13 PolarHBondContact OD1-N 2.83Å; T13-D15 VanDerWaalsContact C-N 3.35Å; T13-R16 PolarHBondContact O-N 3.3Å; T13-L17 WeakPolarHBondContact O-CB 3.42Å; T13-L17 PolarHBondContact O-N 3.06Å
14N74.9Confident71.7Confident93 Ų9389.6 Ų89.650%0.49753%0.53SS..Hα-helixtrans-68.9-36.5178.3-79.1-10000111.5N11 S18N11-N14 HydrophobicContact CB-CB 4.23Å; N11-N14 PolarHBondContact O-N 2.88Å; N14-S18 WeakPolarHBondContact O-CB 3.46Å; N14-S18 PolarHBondContact O-N 3.05Å; N14-S18 PolarHBondContact O-OG 2.96Å
15D88.7Confident74.6Confident88 Ų8887.6 Ų87.647%0.47151%0.507SS..Hα-helixtrans-67.6-44.8177.1-72.28.6000110.9S10 N11 T13 L17 S18 A19S10-D15 WeakPolarHBondContact CB-OD2 3.21Å; N11-D15 PolarHBondContact O-N 3.44Å; T13-D15 VanDerWaalsContact C-N 3.35Å; D15-L17 PolarHBondContact O-N 2.95Å; D15-S18 PolarHBondContact O-N 2.98Å; D15-A19 WeakPolarHBondContact O-CB 3.39Å; D15-A19 PolarHBondContact O-N 3.49Å
16R92.5Very high77.5Confident111 Ų11184.1 Ų84.142%0.41949%0.489SS..Hα-helixtrans-59.5-46.6175.1-176.9179178.2-163.9-2111.7P12 T13 A19 I20 L52 E59P12-R16 WeakPolarHBondContact O-CB 3.26Å; P12-R16 PolarHBondContact O-N 2.86Å; T13-R16 PolarHBondContact O-N 3.3Å; R16-A19 PolarHBondContact O-N 2.9Å; R16-I20 HydrophobicContact CG-CD1 3.99Å; R16-I20 VanDerWaalsContact O-CG1 3.32Å; R16-I20 WeakPolarHBondContact O-CG1 3.36Å; R16-I20 PolarHBondContact O-N 3.39Å; R16-I20 VanDerWaalsContact O-N 3.09Å; R16-L52 VanDerWaalsContact CZ-CD2 3.49Å; R16-E59 IonicContact CZ-OE1 3.37Å; R16-E59 IonicContact NH1-OE1 2.74Å; R16-E59 PolarHBondContact NH1-OE1 2.91Å
17L96.4Very high80.5Confident33 Ų3384.4 Ų84.417%0.17348%0.48CS..Hα-helixtrans-60.7-47.1178.8178.863.8000111.2T13 D15 A19 I20 M21 L45 A48 Q49 L52T13-L17 WeakPolarHBondContact O-CB 3.42Å; T13-L17 PolarHBondContact O-N 3.06Å; D15-L17 PolarHBondContact O-N 2.95Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.1Å; L17-I20 PolarHBondContact O-N 3.29Å; L17-M21 HydrophobicContact CD1-CG 4.47Å; L17-M21 HydrophobicContact CD1-SD 4.43Å; L17-M21 HydrophobicContact CG-SD 3.97Å; L17-M21 WeakPolarHBondContact O-CB 3.41Å; L17-M21 WeakPolarHBondContact O-CG 3.4Å; L17-M21 PolarHBondContact O-N 3.4Å; L17-L45 HydrophobicContact CD1-CD1 4.31Å; L17-L45 HydrophobicContact CD2-CD1 4.04Å; L17-L45 HydrophobicContact CG-CD1 4.41Å; L17-A48 HydrophobicContact CD1-CB 3.7Å; L17-Q49 HydrophobicContact CD1-CG 4.06Å; L17-L52 HydrophobicContact CD1-CD1 3.91Å
18S96.6Very high83.5Confident64 Ų6475.2 Ų75.245%0.44844%0.441SS..Hα-helixtrans-63.9-37.2-179.4-58.40000112.6N14 D15 S22N14-S18 WeakPolarHBondContact O-CB 3.46Å; N14-S18 PolarHBondContact O-N 3.05Å; N14-S18 PolarHBondContact O-OG 2.96Å; D15-S18 PolarHBondContact O-N 2.98Å; S18-S22 PolarHBondContact O-N 3.28Å; S18-S22 VanDerWaalsContact O-N 3.09Å; S18-S22 PolarHBondContact O-OG 3.01Å
19A97.9Very high86.2Confident55 Ų5572.9 Ų72.946%0.45543%0.425SS..Hα-helixtrans-63.9-49174.600000111.6D15 R16 L17 M21 S22 C23D15-A19 WeakPolarHBondContact O-CB 3.39Å; D15-A19 PolarHBondContact O-N 3.49Å; R16-A19 PolarHBondContact O-N 2.9Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.1Å; A19-M21 VanDerWaalsContact C-N 3.32Å; A19-M21 PolarHBondContact O-N 2.83Å; A19-S22 WeakPolarHBondContact O-CB 3.13Å; A19-S22 PolarHBondContact O-N 3.37Å; A19-S22 VanDerWaalsContact O-N 3.15Å; A19-C23 PolarHBondContact O-N 3.07Å; A19-C23 VanDerWaalsContact O-N 3.13Å
20I98Very high88.9Confident42 Ų4276.7 Ų76.722%0.21543%0.428CS..Hα-helixtrans-63.8-39.1178.9-62.2167.7000111R16 L17 S22 C23 Y24 A48 L52R16-I20 HydrophobicContact CG-CD1 3.99Å; R16-I20 VanDerWaalsContact O-CG1 3.32Å; R16-I20 WeakPolarHBondContact O-CG1 3.36Å; R16-I20 PolarHBondContact O-N 3.39Å; R16-I20 VanDerWaalsContact O-N 3.09Å; L17-I20 PolarHBondContact O-N 3.29Å; I20-S22 VanDerWaalsContact C-N 3.3Å; I20-S22 PolarHBondContact O-N 3.44Å; I20-C23 WeakPolarHBondContact O-CB 3.44Å; I20-C23 PolarHBondContact O-N 3.19Å; I20-Y24 HydrophobicContact CG2-CD2 3.71Å; I20-Y24 HydrophobicContact CG2-CE2 3.63Å; I20-Y24 WeakPolarHBondContact O-CD2 3.49Å; I20-Y24 PolarHBondContact O-N 2.89Å; I20-A48 HydrophobicContact CB-CB 3.93Å; I20-A48 HydrophobicContact CG2-CB 3.53Å; I20-L52 HydrophobicContact CD1-CD2 3.77Å; I20-L52 HydrophobicContact CD1-CG 4.15Å
21M98Very high91.2Very high55 Ų5579 Ų7927%0.27143%0.431SS..Hα-helixtrans-57-44.5173.6-74.9171.156.900111.8L17 A19 C23 Y24 R25 P44 L45 A48L17-M21 HydrophobicContact CD1-CG 4.47Å; L17-M21 HydrophobicContact CD1-SD 4.43Å; L17-M21 HydrophobicContact CG-SD 3.97Å; L17-M21 WeakPolarHBondContact O-CB 3.41Å; L17-M21 WeakPolarHBondContact O-CG 3.4Å; L17-M21 PolarHBondContact O-N 3.4Å; A19-M21 VanDerWaalsContact C-N 3.32Å; A19-M21 PolarHBondContact O-N 2.83Å; M21-C23 VanDerWaalsContact C-N 3.32Å; M21-C23 PolarHBondContact O-N 2.96Å; M21-Y24 PolarHBondContact O-N 2.92Å; M21-R25 PolarHBondContact O-N 3.41Å; M21-P44 HydrophobicContact CB-CB 4.35Å; M21-P44 WeakPolarHBondContact O-CB 3.35Å; M21-L45 HydrophobicContact CE-CB 4.04Å; M21-L45 HydrophobicContact CE-CD1 4.31Å; M21-L45 HydrophobicContact CG-CB 4.5Å; M21-L45 HydrophobicContact SD-CB 4.21Å; M21-L45 HydrophobicContact SD-CD1 3.64Å; M21-A48 HydrophobicContact CG-CB 3.74Å
22S97.9Very high93.1Very high75 Ų7578.3 Ų78.352%0.52444%0.444SS..Hα-helixtrans-61.7-43.1178.5-58.30000110.9S18 A19 I20 Y24 R25 S26S18-S22 PolarHBondContact O-N 3.28Å; S18-S22 VanDerWaalsContact O-N 3.09Å; S18-S22 PolarHBondContact O-OG 3.01Å; A19-S22 WeakPolarHBondContact O-CB 3.13Å; A19-S22 PolarHBondContact O-N 3.37Å; A19-S22 VanDerWaalsContact O-N 3.15Å; I20-S22 VanDerWaalsContact C-N 3.3Å; I20-S22 PolarHBondContact O-N 3.44Å; S22-Y24 PolarHBondContact O-N 2.94Å; S22-R25 PolarHBondContact O-N 2.98Å; S22-S26 PolarHBondContact O-N 3.35Å; S22-S26 PolarHBondContact O-OG 2.93Å
23C98.4Very high94.7Very high77 Ų7776.8 Ų76.852%0.5243%0.428SS..Hα-helixtrans-60-43.8174-640000112.5A19 I20 M21 R25 S26 I27A19-C23 PolarHBondContact O-N 3.07Å; A19-C23 VanDerWaalsContact O-N 3.13Å; I20-C23 WeakPolarHBondContact O-CB 3.44Å; I20-C23 PolarHBondContact O-N 3.19Å; M21-C23 VanDerWaalsContact C-N 3.32Å; M21-C23 PolarHBondContact O-N 2.96Å; C23-R25 PolarHBondContact O-N 2.88Å; C23-S26 WeakPolarHBondContact O-CB 3.38Å; C23-S26 PolarHBondContact O-N 2.91Å; C23-I27 WeakPolarHBondContact O-CG1 3.41Å; C23-I27 PolarHBondContact O-N 2.86Å
24Y98.3Very high96Very high56 Ų5676.5 Ų76.522%0.2242%0.423CS..Hα-helixtrans-66.7-34.6177.9-86.6-63.3000113.6I20 M21 S22 S26 I27 L28 A47 A48 M51I20-Y24 HydrophobicContact CG2-CD2 3.71Å; I20-Y24 HydrophobicContact CG2-CE2 3.63Å; I20-Y24 WeakPolarHBondContact O-CD2 3.49Å; I20-Y24 PolarHBondContact O-N 2.89Å; M21-Y24 PolarHBondContact O-N 2.92Å; S22-Y24 PolarHBondContact O-N 2.94Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; Y24-I27 HydrophobicContact CD1-CD1 4.06Å; Y24-I27 HydrophobicContact CE1-CD1 4.18Å; Y24-I27 PolarHBondContact O-N 2.91Å; Y24-L28 WeakPolarHBondContact O-CG 3.43Å; Y24-L28 PolarHBondContact O-N 3.41Å; Y24-A47 HydrophobicContact CD1-CB 3.68Å; Y24-A47 HydrophobicContact CD2-CB 3.65Å; Y24-A47 HydrophobicContact CE1-CB 3.88Å; Y24-A47 HydrophobicContact CE2-CB 3.85Å; Y24-A47 HydrophobicContact CG-CB 3.58Å; Y24-A48 HydrophobicContact CD2-CB 4.28Å; Y24-M51 HydrophobicContact CE2-CG 3.94Å; Y24-M51 WeakPolarHBondContact OH-CG 3.43Å
25R98Very high96.8Very high89 Ų8972.1 Ų72.134%0.33640%0.4SS..Hα-helixtrans-61.6-44.8171.7-179.5175.5-69.1-80.7-1.7110.8M21 S22 C23 L28 Q29 A35 P44M21-R25 PolarHBondContact O-N 3.41Å; S22-R25 PolarHBondContact O-N 2.98Å; C23-R25 PolarHBondContact O-N 2.88Å; R25-L28 PolarHBondContact O-N 3.46Å; R25-Q29 WeakPolarHBondContact O-CG 3.32Å; R25-Q29 PolarHBondContact O-N 2.73Å; R25-Q29 VanDerWaalsContact O-N 3.13Å; R25-A35 HydrophobicContact CG-CB 4.26Å; R25-P44 HydrophobicContact CB-CB 4.4Å; R25-P44 HydrophobicContact CB-CG 4Å
26S98.2Very high97.1Very high58 Ų5873.1 Ų73.141%0.40641%0.405SS..Hα-helixtrans-62.6-42.3175.4-59.40000112.1S22 C23 Y24 L28 Q29 L30S22-S26 PolarHBondContact O-N 3.35Å; S22-S26 PolarHBondContact O-OG 2.93Å; C23-S26 WeakPolarHBondContact O-CB 3.38Å; C23-S26 PolarHBondContact O-N 2.91Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 3.41Å; S26-Q29 PolarHBondContact O-N 2.78Å; S26-L30 WeakPolarHBondContact O-CB 3.23Å; S26-L30 VanDerWaalsContact O-CG 3.24Å; S26-L30 WeakPolarHBondContact O-CG 3.26Å; S26-L30 PolarHBondContact O-N 3.5Å
27I98.1Very high97.3Very high78 Ų7873.8 Ų73.840%0.441%0.408SS..Hα-helixtrans-58-46.1175.4-70.6167.4000110.8C23 Y24 Q29 L30 M31C23-I27 WeakPolarHBondContact O-CG1 3.41Å; C23-I27 PolarHBondContact O-N 2.86Å; Y24-I27 HydrophobicContact CD1-CD1 4.06Å; Y24-I27 HydrophobicContact CE1-CD1 4.18Å; Y24-I27 PolarHBondContact O-N 2.91Å; I27-Q29 PolarHBondContact O-N 3.13Å; I27-L30 PolarHBondContact O-N 3.34Å; I27-M31 HydrophobicContact CG2-CE 3.95Å; I27-M31 HydrophobicContact CG2-CG 4.46Å; I27-M31 HydrophobicContact CG2-SD 4.17Å; I27-M31 WeakPolarHBondContact O-CG 3.01Å; I27-M31 PolarHBondContact O-N 3.4Å
28L98.1Very high97.4Very high15 Ų1577.9 Ų77.98%0.07944%0.436CS..Hα-helixtrans-57.3-50.2176.9-70.5170.3000111.6Y24 R25 S26 L30 M31 G32 E33 L40 T43 P44Y24-L28 WeakPolarHBondContact O-CG 3.43Å; Y24-L28 PolarHBondContact O-N 3.41Å; R25-L28 PolarHBondContact O-N 3.46Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 3.41Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 2.92Å; L28-M31 HydrophobicContact CD2-CE 3.85Å; L28-M31 PolarHBondContact O-N 3.33Å; L28-M31 VanDerWaalsContact O-N 3.14Å; L28-G32 PolarHBondContact O-N 2.98Å; L28-E33 HydrophobicContact CB-CB 4.34Å; L28-E33 WeakPolarHBondContact O-CB 3.42Å; L28-E33 PolarHBondContact O-N 3.38Å; L28-L40 HydrophobicContact CD2-CD1 4.46Å; L28-T43 HydrophobicContact CD1-CG2 4.03Å; L28-T43 HydrophobicContact CD2-CG2 4.36Å; L28-P44 HydrophobicContact CD1-CG 4.08Å
29Q97.9Very high97.4Very high113 Ų11377.5 Ų77.553%0.52844%0.443SS..Hα-helixtrans-61.3-40.5179.6-69.2171.5-32.900112.1R25 S26 I27 M31 G32 A35R25-Q29 WeakPolarHBondContact O-CG 3.32Å; R25-Q29 PolarHBondContact O-N 2.73Å; R25-Q29 VanDerWaalsContact O-N 3.13Å; S26-Q29 PolarHBondContact O-N 2.78Å; I27-Q29 PolarHBondContact O-N 3.13Å; Q29-M31 VanDerWaalsContact C-N 3.29Å; Q29-M31 PolarHBondContact O-N 2.9Å; Q29-G32 PolarHBondContact O-N 3.23Å; Q29-A35 HydrophobicContact CG-CB 4.24Å
30L98.3Very high97.4Very high152 Ų15276.3 Ų76.380%0.79643%0.428SS*.Hα-helixtrans-69.9-24.6178-70.4169.8000113.2S26 I27 L28 G32S26-L30 WeakPolarHBondContact O-CB 3.23Å; S26-L30 VanDerWaalsContact O-CG 3.24Å; S26-L30 WeakPolarHBondContact O-CG 3.26Å; S26-L30 PolarHBondContact O-N 3.5Å; I27-L30 PolarHBondContact O-N 3.34Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 2.92Å; L30-G32 PolarHBondContact O-N 3.29Å
31M97.7Very high97.3Very high126 Ų12678.4 Ų78.462%0.62144%0.44SS*.THydrogen-bonded Turntrans-78.7-0.1169.6-68.3-174-53.400113I27 L28 Q29I27-M31 HydrophobicContact CG2-CE 3.95Å; I27-M31 HydrophobicContact CG2-CG 4.46Å; I27-M31 HydrophobicContact CG2-SD 4.17Å; I27-M31 WeakPolarHBondContact O-CG 3.01Å; I27-M31 PolarHBondContact O-N 3.4Å; L28-M31 HydrophobicContact CD2-CE 3.85Å; L28-M31 PolarHBondContact O-N 3.33Å; L28-M31 VanDerWaalsContact O-N 3.14Å; Q29-M31 VanDerWaalsContact C-N 3.29Å; Q29-M31 PolarHBondContact O-N 2.9Å
32G97.8Very high97.3Very high69 Ų6983.2 Ų83.271%0.71146%0.459SS*.THydrogen-bonded Turntrans82.311.8-177.500000114.1L28 Q29 L30L28-G32 PolarHBondContact O-N 2.98Å; Q29-G32 PolarHBondContact O-N 3.23Å; L30-G32 PolarHBondContact O-N 3.29Å
33E97.3Very high97.3Very high72 Ų7280.9 Ų80.934%0.33644%0.441SS..  trans-83.8141.5178.1-74.8-67.4170.200112.3L28 A35 R37 L40L28-E33 HydrophobicContact CB-CB 4.34Å; L28-E33 WeakPolarHBondContact O-CB 3.42Å; L28-E33 PolarHBondContact O-N 3.38Å; E33-A35 PolarHBondContact O-N 2.91Å; E33-R37 IonicContact OE1-NH1 2.64Å; E33-R37 PolarHBondContact OE1-NH1 3.39Å; E33-R37 IonicContact OE2-CZ 3.68Å; E33-R37 IonicContact OE2-NH1 3.5Å; E33-R37 PolarHBondContact OE2-NH1 3.09Å; E33-L40 HydrophobicContact CB-CD1 3.88Å; E33-L40 HydrophobicContact CG-CD1 4.19Å
34D96.3Very high97.3Very high85 Ų8577.4 Ų77.446%0.45542%0.418SS..  trans-78.3104.2168.3171.523.9000110N36 R37D34-N36 PolarHBondContact O-N 3.39Å; D34-N36 VanDerWaalsContact OD1-CB 3.31Å; D34-N36 WeakPolarHBondContact OD1-CB 3.33Å; D34-N36 PolarHBondContact OD1-N 3.19Å; D34-N36 PolarHBondContact OD1-ND2 3.47Å; D34-R37 HydrophobicContact CB-CG 3.91Å; D34-R37 WeakPolarHBondContact O-CB 3.49Å; D34-R37 WeakPolarHBondContact O-CG 3.2Å; D34-R37 PolarHBondContact O-N 3.44Å
35A92.8Very high97.3Very high2 Ų277.4 Ų77.42%0.01742%0.422CS..THydrogen-bonded Turntrans-64.3-6.2178.600000114.2R25 Q29 E33R25-A35 HydrophobicContact CG-CB 4.26Å; Q29-A35 HydrophobicContact CG-CB 4.24Å; E33-A35 PolarHBondContact O-N 2.91Å
36N93.8Very high97.3Very high109 Ų10979.7 Ų79.758%0.58343%0.43SS*.THydrogen-bonded Turntrans-96.5-4.3173.5-56.3-51.7000113.5D34D34-N36 PolarHBondContact O-N 3.39Å; D34-N36 VanDerWaalsContact OD1-CB 3.31Å; D34-N36 WeakPolarHBondContact OD1-CB 3.33Å; D34-N36 PolarHBondContact OD1-N 3.19Å; D34-N36 PolarHBondContact OD1-ND2 3.47Å
37R97.6Very high97.3Very high124 Ų12478 Ų7847%0.46842%0.42SS..SBendtrans-53.2135.8171.5-76.3172.361.1-177.71.1109.9E33 D34 G39 L40 L41E33-R37 IonicContact OE1-NH1 2.64Å; E33-R37 PolarHBondContact OE1-NH1 3.39Å; E33-R37 IonicContact OE2-CZ 3.68Å; E33-R37 IonicContact OE2-NH1 3.5Å; E33-R37 PolarHBondContact OE2-NH1 3.09Å; D34-R37 HydrophobicContact CB-CG 3.91Å; D34-R37 WeakPolarHBondContact O-CB 3.49Å; D34-R37 WeakPolarHBondContact O-CG 3.2Å; D34-R37 PolarHBondContact O-N 3.44Å; R37-G39 PolarHBondContact O-N 3.3Å; R37-G39 VanDerWaalsContact O-N 3.08Å; R37-L40 HydrophobicContact CB-CB 4.2Å; R37-L40 HydrophobicContact CB-CD1 4.35Å; R37-L40 HydrophobicContact CB-CG 4.22Å; R37-L40 WeakPolarHBondContact O-CA 3.35Å; R37-L40 PolarHBondContact O-N 3.08Å; R37-L41 PolarHBondContact O-N 2.86Å
38P97.3Very high97.3Very high120 Ų12074.3 Ų74.378%0.77940%0.401SS*.THydrogen-bonded Turntrans-51.9-39.7-176.8-30.735.5000114.3L40P38-L40 VanDerWaalsContact C-N 3.32Å; P38-L40 PolarHBondContact O-N 3.46Å
39G96.8Very high97.3Very high56 Ų5678.3 Ų78.358%0.57742%0.419SS*.THydrogen-bonded Turntrans-72.8-17.917700000115.2R37 T43 R46R37-G39 PolarHBondContact O-N 3.3Å; R37-G39 VanDerWaalsContact O-N 3.08Å; G39-T43 PolarHBondContact O-OG1 2.88Å; G39-R46 PolarHBondContact O-NH2 3.39Å; G39-R46 VanDerWaalsContact O-NH2 3.07Å
40L97.8Very high97.4Very high29 Ų2974.5 Ų74.515%0.15241%0.407CS..THydrogen-bonded Turntrans-102.9-16.1-178.5-62.4-174.7000114.2L28 E33 R37 P38 K42 T43 P44L28-L40 HydrophobicContact CD2-CD1 4.46Å; E33-L40 HydrophobicContact CB-CD1 3.88Å; E33-L40 HydrophobicContact CG-CD1 4.19Å; R37-L40 HydrophobicContact CB-CB 4.2Å; R37-L40 HydrophobicContact CB-CD1 4.35Å; R37-L40 HydrophobicContact CB-CG 4.22Å; R37-L40 WeakPolarHBondContact O-CA 3.35Å; R37-L40 PolarHBondContact O-N 3.08Å; P38-L40 VanDerWaalsContact C-N 3.32Å; P38-L40 PolarHBondContact O-N 3.46Å; L40-K42 PolarHBondContact O-N 2.86Å; L40-K42 VanDerWaalsContact O-N 3.12Å; L40-T43 WeakPolarHBondContact CA-OG1 3.5Å; L40-T43 HydrophobicContact CD2-CG2 4.44Å; L40-T43 WeakPolarHBondContact CD2-OG1 3.45Å; L40-T43 VanDerWaalsContact O-CB 3.27Å; L40-T43 WeakPolarHBondContact O-CB 3.39Å; L40-T43 PolarHBondContact O-N 2.84Å; L40-T43 PolarHBondContact O-OG1 2.88Å; L40-P44 VanDerWaalsContact O-CD 3.27Å; L40-P44 WeakPolarHBondContact O-CD 3.36Å
41L97.2Very high97.3Very high87 Ų8768.8 Ų68.846%0.45538%0.377SS..THydrogen-bonded Turntrans-49.1-44.2-179-75.8172.7000113.3R37R37-L41 PolarHBondContact O-N 2.86Å
42K97.7Very high97.3Very high155 Ų15564.6 Ų64.667%0.67436%0.356SS*.THydrogen-bonded Turntrans-95.80.8178.5-64.4-172.6179.4-179.10113.8L40 L45 R46L40-K42 PolarHBondContact O-N 2.86Å; L40-K42 VanDerWaalsContact O-N 3.12Å; K42-L45 PolarHBondContact O-N 2.88Å; K42-R46 WeakPolarHBondContact O-CG 3.27Å; K42-R46 PolarHBondContact O-N 2.83Å
43T98.3Very high97.3Very high26 Ų2666 Ų6616%0.1634%0.343CS..Hα-helixtrans-60.7-43.9179.9-65.20000112.8L28 G39 L40 L45 R46 A47L28-T43 HydrophobicContact CD1-CG2 4.03Å; L28-T43 HydrophobicContact CD2-CG2 4.36Å; G39-T43 PolarHBondContact O-OG1 2.88Å; L40-T43 WeakPolarHBondContact CA-OG1 3.5Å; L40-T43 HydrophobicContact CD2-CG2 4.44Å; L40-T43 WeakPolarHBondContact CD2-OG1 3.45Å; L40-T43 VanDerWaalsContact O-CB 3.27Å; L40-T43 WeakPolarHBondContact O-CB 3.39Å; L40-T43 PolarHBondContact O-N 2.84Å; L40-T43 PolarHBondContact O-OG1 2.88Å; T43-L45 VanDerWaalsContact C-N 3.27Å; T43-L45 PolarHBondContact O-N 2.86Å; T43-R46 PolarHBondContact O-N 3.22Å; T43-R46 VanDerWaalsContact O-N 3.16Å; T43-R46 PolarHBondContact OG1-NH2 2.82Å; T43-A47 VanDerWaalsContact O-CB 3.27Å; T43-A47 WeakPolarHBondContact O-CB 3.47Å; T43-A47 PolarHBondContact O-N 3.09Å
44P98.3Very high97.4Very high4 Ų465.6 Ų65.63%0.02634%0.34CS..Hα-helixtrans-55.5-41.5177.7-28.836.4000113.7M21 R25 L28 L40 A48M21-P44 HydrophobicContact CB-CB 4.35Å; M21-P44 WeakPolarHBondContact O-CB 3.35Å; R25-P44 HydrophobicContact CB-CB 4.4Å; R25-P44 HydrophobicContact CB-CG 4Å; L28-P44 HydrophobicContact CD1-CG 4.08Å; L40-P44 VanDerWaalsContact O-CD 3.27Å; L40-P44 WeakPolarHBondContact O-CD 3.36Å; P44-A48 VanDerWaalsContact O-CB 3.26Å; P44-A48 WeakPolarHBondContact O-CB 3.43Å; P44-A48 PolarHBondContact O-N 3.26Å
45L97.7Very high97.5Very high57 Ų5762.3 Ų62.330%0.29832%0.323SS..Hα-helixtrans-64.5-52174.7176.161.8000111.7L17 M21 K42 T43 A47 A48 Q49L17-L45 HydrophobicContact CD1-CD1 4.31Å; L17-L45 HydrophobicContact CD2-CD1 4.04Å; L17-L45 HydrophobicContact CG-CD1 4.41Å; M21-L45 HydrophobicContact CE-CB 4.04Å; M21-L45 HydrophobicContact CE-CD1 4.31Å; M21-L45 HydrophobicContact CG-CB 4.5Å; M21-L45 HydrophobicContact SD-CB 4.21Å; M21-L45 HydrophobicContact SD-CD1 3.64Å; K42-L45 PolarHBondContact O-N 2.88Å; T43-L45 VanDerWaalsContact C-N 3.27Å; T43-L45 PolarHBondContact O-N 2.86Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 2.81Å; L45-A48 PolarHBondContact O-N 3.17Å; L45-Q49 HydrophobicContact CD1-CG 4.11Å; L45-Q49 WeakPolarHBondContact O-CB 3.4Å; L45-Q49 WeakPolarHBondContact O-CG 3.35Å; L45-Q49 PolarHBondContact O-N 3.38Å
46R98.3Very high97.7Very high137 Ų13765 Ų6552%0.51734%0.335SS..Hα-helixtrans-60.7-41.8-178.9-68.9-178.4-63.7148.6-5.4112.2G39 K42 T43 A50G39-R46 PolarHBondContact O-NH2 3.39Å; G39-R46 VanDerWaalsContact O-NH2 3.07Å; K42-R46 WeakPolarHBondContact O-CG 3.27Å; K42-R46 PolarHBondContact O-N 2.83Å; T43-R46 PolarHBondContact O-N 3.22Å; T43-R46 VanDerWaalsContact O-N 3.16Å; T43-R46 PolarHBondContact OG1-NH2 2.82Å; R46-A50 VanDerWaalsContact O-CB 3.29Å; R46-A50 WeakPolarHBondContact O-CB 3.22Å; R46-A50 PolarHBondContact O-N 2.99Å
47A98.3Very high98Very high23 Ų2359.8 Ų59.819%0.1931%0.307CS..Hα-helixtrans-67.1-42.2178.500000111.7Y24 T43 L45 A50 M51Y24-A47 HydrophobicContact CD1-CB 3.68Å; Y24-A47 HydrophobicContact CD2-CB 3.65Å; Y24-A47 HydrophobicContact CE1-CB 3.88Å; Y24-A47 HydrophobicContact CE2-CB 3.85Å; Y24-A47 HydrophobicContact CG-CB 3.58Å; T43-A47 VanDerWaalsContact O-CB 3.27Å; T43-A47 WeakPolarHBondContact O-CB 3.47Å; T43-A47 PolarHBondContact O-N 3.09Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 2.81Å; A47-A50 PolarHBondContact O-N 3.35Å; A47-M51 PolarHBondContact O-N 3.48Å
48A98.4Very high98Very high0 Ų059.7 Ų59.70%031%0.308CS..Hα-helixtrans-62.2-47175.100000111.9L17 I20 M21 Y24 P44 L45 A50 M51 L52L17-A48 HydrophobicContact CD1-CB 3.7Å; I20-A48 HydrophobicContact CB-CB 3.93Å; I20-A48 HydrophobicContact CG2-CB 3.53Å; M21-A48 HydrophobicContact CG-CB 3.74Å; Y24-A48 HydrophobicContact CD2-CB 4.28Å; P44-A48 VanDerWaalsContact O-CB 3.26Å; P44-A48 WeakPolarHBondContact O-CB 3.43Å; P44-A48 PolarHBondContact O-N 3.26Å; L45-A48 PolarHBondContact O-N 3.17Å; A48-A50 VanDerWaalsContact C-N 3.33Å; A48-A50 PolarHBondContact O-N 3.2Å; A48-M51 PolarHBondContact O-N 2.88Å; A48-L52 WeakPolarHBondContact O-CG 3.23Å; A48-L52 PolarHBondContact O-N 3.01Å
49Q98.2Very high98Very high99 Ų9960.3 Ų60.346%0.46330%0.3SS..Hα-helixtrans-60.8-41.3175.4-72.7176.6-36.100112.1L17 L45 L52 F53L17-Q49 HydrophobicContact CD1-CG 4.06Å; L45-Q49 HydrophobicContact CD1-CG 4.11Å; L45-Q49 WeakPolarHBondContact O-CB 3.4Å; L45-Q49 WeakPolarHBondContact O-CG 3.35Å; L45-Q49 PolarHBondContact O-N 3.38Å; Q49-L52 PolarHBondContact O-N 3.38Å; Q49-F53 WeakPolarHBondContact O-CB 3.34Å; Q49-F53 PolarHBondContact O-N 3.23Å
50A98.6Very high98Very high33 Ų3360.8 Ų60.827%0.27329%0.287SS..Hα-helixtrans-60.7-46.817700000111.5R46 A47 A48 L52 F53 F54R46-A50 VanDerWaalsContact O-CB 3.29Å; R46-A50 WeakPolarHBondContact O-CB 3.22Å; R46-A50 PolarHBondContact O-N 2.99Å; A47-A50 PolarHBondContact O-N 3.35Å; A48-A50 VanDerWaalsContact C-N 3.33Å; A48-A50 PolarHBondContact O-N 3.2Å; A50-L52 PolarHBondContact O-N 3.07Å; A50-F53 WeakPolarHBondContact O-CB 3.47Å; A50-F53 PolarHBondContact O-N 3.24Å; A50-F54 HydrophobicContact CB-CD2 4.45Å; A50-F54 HydrophobicContact CB-CE2 3.83Å; A50-F54 HydrophobicContact CB-CZ 4.09Å; A50-F54 WeakPolarHBondContact O-CD2 3.47Å; A50-F54 WeakPolarHBondContact O-CG 3.28Å; A50-F54 PolarHBondContact O-N 3.38Å
51M98.1Very high97.9Very high31 Ų3165.5 Ų65.515%0.15331%0.306CS..Hα-helixtrans-63.7-41.5177.6-74.2-52-63.500113.5Y24 A47 A48 F53 F54 T55Y24-M51 HydrophobicContact CE2-CG 3.94Å; Y24-M51 WeakPolarHBondContact OH-CG 3.43Å; A47-M51 PolarHBondContact O-N 3.48Å; A48-M51 PolarHBondContact O-N 2.88Å; M51-F53 VanDerWaalsContact C-N 3.3Å; M51-F53 PolarHBondContact O-N 2.91Å; M51-F54 PolarHBondContact O-N 3.03Å; M51-F54 HydrophobicContact SD-CD2 4.05Å; M51-T55 WeakPolarHBondContact O-CB 3.35Å; M51-T55 PolarHBondContact O-N 2.66Å; M51-T55 VanDerWaalsContact O-N 3.11Å; M51-T55 PolarHBondContact O-OG1 2.9Å
52L97.3Very high97.9Very high38 Ų3862.1 Ų62.120%0.19929%0.289CS..Hα-helixtrans-61.8-41.8174.7-68174.9000110.6R16 L17 I20 A48 Q49 A50 T55 K56R16-L52 VanDerWaalsContact CZ-CD2 3.49Å; L17-L52 HydrophobicContact CD1-CD1 3.91Å; I20-L52 HydrophobicContact CD1-CD2 3.77Å; I20-L52 HydrophobicContact CD1-CG 4.15Å; A48-L52 WeakPolarHBondContact O-CG 3.23Å; A48-L52 PolarHBondContact O-N 3.01Å; Q49-L52 PolarHBondContact O-N 3.38Å; A50-L52 PolarHBondContact O-N 3.07Å; L52-T55 CarbonylContact O-C 3.45Å; L52-T55 PolarHBondContact O-N 2.92Å; L52-T55 PolarHBondContact O-OG1 3.02Å; L52-K56 PolarHBondContact O-N 3.25Å
53F98.2Very high97.8Very high98 Ų9861.4 Ų61.443%0.4329%0.288SS..Hα-helixtrans-63.4-44.8174.8-178.9-92.6000112.6Q49 A50 M51 T55 K56Q49-F53 WeakPolarHBondContact O-CB 3.34Å; Q49-F53 PolarHBondContact O-N 3.23Å; A50-F53 WeakPolarHBondContact O-CB 3.47Å; A50-F53 PolarHBondContact O-N 3.24Å; M51-F53 VanDerWaalsContact C-N 3.3Å; M51-F53 PolarHBondContact O-N 2.91Å; F53-T55 PolarHBondContact O-N 2.95Å; F53-T55 VanDerWaalsContact O-N 3.15Å; F53-K56 HydrophobicContact CD2-CD 4.23Å; F53-K56 HydrophobicContact CE2-CD 4.29Å; F53-K56 WeakPolarHBondContact O-CG 3.42Å; F53-K56 PolarHBondContact O-N 3.4Å
54F98.6Very high97.6Very high64 Ų6465.6 Ų65.628%0.28131%0.309SS..Hα-helixtrans-65.5-15.4178.1-59.7-32.9000113.2A50 M51 M89 R126 R127A50-F54 HydrophobicContact CB-CD2 4.45Å; A50-F54 HydrophobicContact CB-CE2 3.83Å; A50-F54 HydrophobicContact CB-CZ 4.09Å; A50-F54 WeakPolarHBondContact O-CD2 3.47Å; A50-F54 WeakPolarHBondContact O-CG 3.28Å; A50-F54 PolarHBondContact O-N 3.38Å; M51-F54 PolarHBondContact O-N 3.03Å; M51-F54 HydrophobicContact SD-CD2 4.05Å; F54-M89 HydrophobicContact CB-CG 3.72Å; F54-M89 HydrophobicContact CB-SD 4.31Å; F54-M89 HydrophobicContact CD2-CE 4.21Å; F54-M89 HydrophobicContact CD2-CG 4.4Å; F54-M89 HydrophobicContact CD2-SD 3.95Å; F54-M89 HydrophobicContact CE2-SD 4.49Å; F54-M89 HydrophobicContact CG-CG 4.19Å; F54-M89 HydrophobicContact CG-SD 4.12Å; F54-R126 CarbonylContact O-C 3.52Å; F54-R126 VanDerWaalsContact O-CA 3.25Å; F54-R126 WeakPolarHBondContact O-CA 3.42Å; F54-R127 PolarHBondContact O-N 3.09Å
55T98.3Very high97.5Very high16 Ų1666.3 Ų66.310%0.09831%0.313CS..Hα-helixtrans-120.77.5-177.458.30000113.9M51 L52 F53 G57 Y58 R126 L128M51-T55 WeakPolarHBondContact O-CB 3.35Å; M51-T55 PolarHBondContact O-N 2.66Å; M51-T55 VanDerWaalsContact O-N 3.11Å; M51-T55 PolarHBondContact O-OG1 2.9Å; L52-T55 CarbonylContact O-C 3.45Å; L52-T55 PolarHBondContact O-N 2.92Å; L52-T55 PolarHBondContact O-OG1 3.02Å; F53-T55 PolarHBondContact O-N 2.95Å; F53-T55 VanDerWaalsContact O-N 3.15Å; T55-G57 PolarHBondContact O-N 2.96Å; T55-G57 VanDerWaalsContact O-N 3.07Å; T55-Y58 HydrophobicContact CG2-CE2 4.24Å; T55-Y58 VanDerWaalsContact O-CD2 3.25Å; T55-Y58 WeakPolarHBondContact O-CD2 3.47Å; T55-Y58 PolarHBondContact O-N 3.13Å; T55-R126 CarbonylContact C-O 3.59Å; T55-R126 WeakPolarHBondContact CA-O 3.5Å; T55-L128 HydrophobicContact CG2-CD2 4.13Å; T55-L128 HydrophobicContact CG2-CG 4.26Å
56K97.9Very high97.3Very high59 Ų5964 Ų6426%0.25730%0.301SS..G310 helixtrans-58.5-25.3-178.371.6-178.7175.7171.90113.1L52 F53 Y58 E59 E122 R126L52-K56 PolarHBondContact O-N 3.25Å; F53-K56 HydrophobicContact CD2-CD 4.23Å; F53-K56 HydrophobicContact CE2-CD 4.29Å; F53-K56 WeakPolarHBondContact O-CG 3.42Å; F53-K56 PolarHBondContact O-N 3.4Å; K56-Y58 PolarHBondContact O-N 2.82Å; K56-Y58 VanDerWaalsContact O-N 3.12Å; K56-E59 PolarHBondContact O-N 3.16Å; K56-E122 WeakPolarHBondContact CE-OE1 3.14Å; K56-E122 IonicContact NZ-OE1 3.59Å; K56-E122 PolarHBondContact NZ-OE1 2.91Å; K56-R126 HydrophobicContact CG-CB 3.99Å; K56-R126 HydrophobicContact CG-CG 4.31Å
57G98.3Very high96.8Very high0 Ų063 Ų630%031%0.306CS..G310 helixtrans-64.4-15.3-179.100000114.1T55 E59 E60 M123 R126 R127T55-G57 PolarHBondContact O-N 2.96Å; T55-G57 VanDerWaalsContact O-N 3.07Å; G57-E59 VanDerWaalsContact C-N 3.29Å; G57-E60 WeakPolarHBondContact CA-OE2 3.5Å; G57-M123 VanDerWaalsContact CA-O 3.25Å; G57-M123 WeakPolarHBondContact CA-O 3.45Å; G57-R126 VanDerWaalsContact CA-O 3.32Å; G57-R126 WeakPolarHBondContact CA-O 3.47Å; G57-R126 PolarHBondContact N-O 2.74Å; G57-R127 VanDerWaalsContact O-CZ 3.24Å; G57-R127 PolarHBondContact O-NE 2.86Å; G57-R127 PolarHBondContact O-NH2 3.34Å
58Y98.2Very high96.3Very high122 Ų12269.9 Ų69.948%0.47833%0.334SS..G310 helixtrans-70-25.5170.2-71.4-63000113.4T55 K56 R127 L128T55-Y58 HydrophobicContact CG2-CE2 4.24Å; T55-Y58 VanDerWaalsContact O-CD2 3.25Å; T55-Y58 WeakPolarHBondContact O-CD2 3.47Å; T55-Y58 PolarHBondContact O-N 3.13Å; K56-Y58 PolarHBondContact O-N 2.82Å; K56-Y58 VanDerWaalsContact O-N 3.12Å; Y58-R127 HydrophobicContact CD1-CB 4.48Å; Y58-R127 HydrophobicContact CD1-CG 3.88Å; Y58-R127 HydrophobicContact CD2-CB 4.45Å; Y58-R127 HydrophobicContact CD2-CG 4.16Å; Y58-R127 HydrophobicContact CE1-CB 3.94Å; Y58-R127 HydrophobicContact CE1-CG 3.81Å; Y58-R127 HydrophobicContact CE2-CB 3.92Å; Y58-R127 HydrophobicContact CE2-CG 4.11Å; Y58-R127 HydrophobicContact CG-CG 4.04Å; Y58-L128 PolarHBondContact OH-N 3.45Å; Y58-L128 PolarHBondContact OH-O 2.95Å
59E96.6Very high96.2Very high132 Ų13270.5 Ų70.562%0.61734%0.339SS*.THydrogen-bonded Turntrans-94-12.6-177.5-62172.5-165.500111.7R16 K56 G57R16-E59 IonicContact CZ-OE1 3.37Å; R16-E59 IonicContact NH1-OE1 2.74Å; R16-E59 PolarHBondContact NH1-OE1 2.91Å; K56-E59 PolarHBondContact O-N 3.16Å; G57-E59 VanDerWaalsContact C-N 3.29Å
60E97.4Very high96Very high66 Ų6668.5 Ų68.531%0.30833%0.331SS..  trans-84.2142.3177.1-69.6175.8152.800111.4G57 M123G57-E60 WeakPolarHBondContact CA-OE2 3.5Å; E60-M123 HydrophobicContact CB-CG 3.74Å; E60-M123 HydrophobicContact CB-SD 4.07Å; E60-M123 WeakPolarHBondContact OE2-CA 3.18Å
61K96.4Very high95.9Very high128 Ų12871.9 Ų71.956%0.55734%0.34SS*.  trans-111.4143.1176.7-58.8178.6-176.6174.90110.7E63 D64 I65K61-E63 VanDerWaalsContact C-N 3.28Å; K61-E63 PolarHBondContact O-N 2.91Å; K61-D64 WeakPolarHBondContact CB-OD2 3.39Å; K61-D64 PolarHBondContact O-N 3.48Å; K61-I65 PolarHBondContact O-N 2.81Å
62L96.6Very high95.7Very high17 Ų1776.5 Ų76.59%0.08937%0.365CS..Hα-helixtrans-59.5-41.2178-177.557.9000111.8D64 I65 V66 I120 M123 A141 Q144L62-D64 PolarHBondContact O-N 3.19Å; L62-I65 PolarHBondContact O-N 3.1Å; L62-V66 HydrophobicContact CD1-CG2 3.96Å; L62-V66 HydrophobicContact CG-CG2 4.34Å; L62-V66 VanDerWaalsContact O-CG2 3.29Å; L62-V66 WeakPolarHBondContact O-CG2 3.3Å; L62-V66 PolarHBondContact O-N 2.97Å; L62-I120 HydrophobicContact CD1-CD1 4.06Å; L62-I120 HydrophobicContact CD1-CG1 3.79Å; L62-M123 HydrophobicContact CB-CE 4.15Å; L62-M123 HydrophobicContact CD1-CE 4.09Å; L62-A141 HydrophobicContact CD1-CB 4.07Å; L62-A141 HydrophobicContact CD2-CB 3.78Å; L62-Q144 HydrophobicContact CD2-CB 4.47Å; L62-Q144 HydrophobicContact CD2-CG 4.42Å
63E95.4Very high95.5Very high140 Ų14079.9 Ų79.965%0.65438%0.38SS*.Hα-helixtrans-58.3-45.5178.8-68159.2-156.400112K61 I65 V66 N67K61-E63 VanDerWaalsContact C-N 3.28Å; K61-E63 PolarHBondContact O-N 2.91Å; E63-I65 VanDerWaalsContact C-N 3.32Å; E63-I65 PolarHBondContact O-N 2.74Å; E63-V66 PolarHBondContact O-N 3.03Å; E63-N67 WeakPolarHBondContact O-CA 3.18Å; E63-N67 PolarHBondContact O-N 3.04Å
64D95.3Very high95.2Very high114 Ų11482.5 Ų82.561%0.6140%0.399SS*.Hα-helixtrans-67.8-33.6179.6-60.6-32.3000112K61 L62K61-D64 WeakPolarHBondContact CB-OD2 3.39Å; K61-D64 PolarHBondContact O-N 3.48Å; L62-D64 PolarHBondContact O-N 3.19Å
65I94.8Very high94.9Very high18 Ų1883 Ų839%0.09240%0.402CS..Hα-helixtrans-68.9-48.7176.8-72.4171.1000110.4K61 L62 E63 K116 R119 I120 M123K61-I65 PolarHBondContact O-N 2.81Å; L62-I65 PolarHBondContact O-N 3.1Å; E63-I65 VanDerWaalsContact C-N 3.32Å; E63-I65 PolarHBondContact O-N 2.74Å; I65-K116 WeakPolarHBondContact O-CD 3.47Å; I65-K116 WeakPolarHBondContact O-CE 3.36Å; I65-K116 PolarHBondContact O-NZ 2.74Å; I65-R119 HydrophobicContact CG2-CB 3.57Å; I65-I120 HydrophobicContact CG2-CG1 4.07Å; I65-M123 HydrophobicContact CD1-CB 3.46Å; I65-M123 VanDerWaalsContact CD1-CB 3.46Å; I65-M123 HydrophobicContact CD1-CE 4.25Å; I65-M123 HydrophobicContact CD1-CG 3.76Å; I65-M123 HydrophobicContact CD1-SD 3.35Å; I65-M123 WeakPolarHBondContact CD1-SD 3.46Å
66V93.4Very high94.5Very high9 Ų987.4 Ų87.46%0.05543%0.425CS..Hα-helixtrans-71.4-49-175.9176.30000110L62 E63 E68 A69 I70 I112 I120 C145L62-V66 HydrophobicContact CD1-CG2 3.96Å; L62-V66 HydrophobicContact CG-CG2 4.34Å; L62-V66 VanDerWaalsContact O-CG2 3.29Å; L62-V66 WeakPolarHBondContact O-CG2 3.3Å; L62-V66 PolarHBondContact O-N 2.97Å; E63-V66 PolarHBondContact O-N 3.03Å; V66-E68 PolarHBondContact O-N 2.8Å; V66-A69 WeakPolarHBondContact O-CB 3.5Å; V66-A69 PolarHBondContact O-N 3.43Å; V66-I70 HydrophobicContact CG1-CD1 3.55Å; V66-I70 HydrophobicContact CG1-CG1 3.65Å; V66-I112 HydrophobicContact CG1-CD1 4.34Å; V66-I112 HydrophobicContact CG2-CD1 4.18Å; V66-I120 HydrophobicContact CG2-CD1 4.36Å; V66-C145 HydrophobicContact CG2-CB 4.42Å; V66-C145 VanDerWaalsContact CG2-SG 3.59Å
67N89.6Confident94.4Very high116 Ų11690.1 Ų90.162%0.6244%0.438SS*.THydrogen-bonded Turntrans45.9-132.4-177.6-164.626.4000110.7E63 A69E63-N67 WeakPolarHBondContact O-CA 3.18Å; E63-N67 PolarHBondContact O-N 3.04Å; N67-A69 VanDerWaalsContact C-N 3.28Å; N67-A69 PolarHBondContact O-N 2.96Å
68E87.7Confident94.3Very high167 Ų16791.4 Ų91.478%0.7845%0.445SS*.THydrogen-bonded Turntrans-88.121178.6-57.6-177.9137.700113.7V66 I70V66-E68 PolarHBondContact O-N 2.8Å; E68-I70 VanDerWaalsContact C-N 3.29Å; E68-I70 PolarHBondContact O-N 2.78Å
69A94.6Very high94.3Very high14 Ų1486.7 Ų86.712%0.11643%0.429CS..  trans-93.726.9-175.800000113.8V66 N67 F71 I112 G113 K116V66-A69 WeakPolarHBondContact O-CB 3.5Å; V66-A69 PolarHBondContact O-N 3.43Å; N67-A69 VanDerWaalsContact C-N 3.28Å; N67-A69 PolarHBondContact O-N 2.96Å; A69-F71 HydrophobicContact CB-CE2 4.34Å; A69-F71 HydrophobicContact CB-CZ 4.44Å; A69-F71 WeakPolarHBondContact O-CE2 3.46Å; A69-I112 CarbonylContact O-C 3.58Å; A69-I112 WeakPolarHBondContact O-CA 3.34Å; A69-I112 WeakPolarHBondContact O-CG1 3.35Å; A69-G113 PolarHBondContact O-N 2.85Å; A69-K116 HydrophobicContact CB-CD 4.16Å; A69-K116 HydrophobicContact CB-CG 3.67Å
70I95.5Very high94.3Very high56 Ų5682.6 Ų82.629%0.28741%0.411SS..EExtended strand (participates in β ladder)trans-104.5129.6167.4-63.9169.5000107V66 E68 K110 V111 I112 C145 L146V66-I70 HydrophobicContact CG1-CD1 3.55Å; V66-I70 HydrophobicContact CG1-CG1 3.65Å; E68-I70 VanDerWaalsContact C-N 3.29Å; E68-I70 PolarHBondContact O-N 2.78Å; I70-K110 HydrophobicContact CG2-CB 4.07Å; I70-K110 HydrophobicContact CG2-CD 4.04Å; I70-K110 HydrophobicContact CG2-CG 4.25Å; I70-V111 CarbonylContact C-O 3.57Å; I70-V111 WeakPolarHBondContact CA-O 3.21Å; I70-I112 HydrophobicContact CG1-CG1 4.49Å; I70-C145 HydrophobicContact CD1-CB 4.4Å; I70-C145 VanDerWaalsContact CD1-O 3.3Å; I70-C145 WeakPolarHBondContact CD1-O 3.33Å; I70-L146 HydrophobicContact CG1-CD2 4.2Å; I70-L146 HydrophobicContact CG2-CD2 4.11Å
71F95.4Very high94.3Very high104 Ų10481 Ų8146%0.45641%0.405SS..EExtended strand (participates in β ladder)trans-123.3141.1-175.8-50.4-81.7000109.5A69 K110 V111A69-F71 HydrophobicContact CB-CE2 4.34Å; A69-F71 HydrophobicContact CB-CZ 4.44Å; A69-F71 WeakPolarHBondContact O-CE2 3.46Å; F71-K110 WeakPolarHBondContact O-CA 3.37Å; F71-V111 HydrophobicContact CB-CG2 4.01Å; F71-V111 PolarHBondContact N-O 3.36Å; F71-V111 PolarHBondContact O-N 2.95Å
72D94.7Very high94.3Very high129 Ų12978 Ų7869%0.6939%0.39SS*.EExtended strand (participates in β ladder)trans-76.1127.3167.9-63.6-45.6000108.4K109D72-K109 CarbonylContact C-O 3.59Å; D72-K109 VanDerWaalsContact CA-O 3.27Å; D72-K109 WeakPolarHBondContact CA-O 3.4Å
73E92.8Very high94.3Very high109 Ų10979.3 Ų79.351%0.50940%0.398SS..  trans-146.2137.9-178-173.265-112.300109H75 K109 V111E73-H75 HydrophobicContact CG-CB 3.93Å; E73-H75 PolarHBondContact O-N 2.89Å; E73-K109 PolarHBondContact N-O 3.39Å; E73-K109 CarbonylContact O-C 3.54Å; E73-K109 WeakPolarHBondContact O-CA 3.39Å; E73-V111 HydrophobicContact CB-CB 4.48Å; E73-V111 HydrophobicContact CB-CG1 3.98Å; E73-V111 HydrophobicContact CB-CG2 3.7Å; E73-V111 HydrophobicContact CG-CG1 4.41Å; E73-V111 HydrophobicContact CG-CG2 4.37Å
74D91.3Very high94.4Very high153 Ų15373.5 Ų73.582%0.81837%0.371SS*.  trans-85.448.4178.8-162.235.3000111
75H92.1Very high94.5Very high74 Ų7474.7 Ų74.734%0.34337%0.373SS..  trans-114.4120.1174.8-172.467.8000108.5E73 E77 V79 P107E73-H75 HydrophobicContact CG-CB 3.93Å; E73-H75 PolarHBondContact O-N 2.89Å; H75-E77 PolarHBondContact NE2-O 3.36Å; H75-V79 VanDerWaalsContact CD2-CG2 3.49Å; H75-V79 WeakPolarHBondContact CD2-CG2 3.26Å; H75-P107 VanDerWaalsContact O-CB 3.23Å; H75-P107 WeakPolarHBondContact O-CB 3.44Å; H75-P107 VanDerWaalsContact O-CG 3.32Å; H75-P107 WeakPolarHBondContact O-CG 3.46Å
76D91.1Very high94.7Very high109 Ų10973.9 Ų73.958%0.58337%0.369SS*.  trans-122.413.3-176.160.1-10.9000112.5I106D76-I106 WeakPolarHBondContact O-CG2 3.38Å
77E95.1Very high94.9Very high116 Ų11677.9 Ų77.954%0.54239%0.386SS..SBendtrans-101.6172.4176.9-65.5-68.1175.400111.9H75 V79 P107H75-E77 PolarHBondContact NE2-O 3.36Å; E77-V79 PolarHBondContact O-N 3.21Å; E77-P107 WeakPolarHBondContact O-CD 3.37Å
78L97.2Very high95.4Very high26 Ų2672.6 Ų72.614%0.13636%0.358CS..PPolyproline II helixtrans-64.7119-175.5177.454.7000113.5I80 I106 F183 E192 F193 L196L78-I80 HydrophobicContact CD1-CD1 4.39Å; L78-I80 HydrophobicContact CD1-CG1 3.93Å; L78-I80 HydrophobicContact CD2-CD1 3.91Å; L78-I80 HydrophobicContact CD2-CG1 4.31Å; L78-I80 HydrophobicContact CG-CD1 4.02Å; L78-I80 HydrophobicContact CG-CG1 3.88Å; L78-I106 HydrophobicContact CB-CG1 4.44Å; L78-I106 HydrophobicContact CD1-CG1 4.39Å; L78-F183 HydrophobicContact CD1-CE1 4.1Å; L78-F183 HydrophobicContact CD1-CE2 4.45Å; L78-F183 HydrophobicContact CD1-CZ 3.45Å; L78-F183 VanDerWaalsContact CD1-CZ 3.45Å; L78-E192 HydrophobicContact CD2-CB 4.32Å; L78-E192 HydrophobicContact CD2-CG 3.76Å; L78-F193 HydrophobicContact CD2-CB 4.28Å; L78-L196 HydrophobicContact CD2-CD1 3.82Å
79V97.8Very high95.9Very high24 Ų2465 Ų6515%0.14532%0.322CS..EExtended strand (participates in β ladder)trans-101.9129169.9-178.80000110H75 E77 G104 Y105 P107H75-V79 VanDerWaalsContact CD2-CG2 3.49Å; H75-V79 WeakPolarHBondContact CD2-CG2 3.26Å; E77-V79 PolarHBondContact O-N 3.21Å; V79-G104 CarbonylContact O-C 3.59Å; V79-G104 VanDerWaalsContact O-CA 3.23Å; V79-G104 WeakPolarHBondContact O-CA 3.47Å; V79-Y105 HydrophobicContact CB-CD1 4.34Å; V79-Y105 HydrophobicContact CB-CE1 3.92Å; V79-Y105 HydrophobicContact CB-CE2 4.4Å; V79-Y105 HydrophobicContact CG1-CE1 3.8Å; V79-Y105 PolarHBondContact N-O 3.45Å; V79-Y105 PolarHBondContact O-N 2.89Å; V79-P107 HydrophobicContact CG2-CG 3.96Å
80I97.1Very high96.1Very high46 Ų4664.8 Ų64.824%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-126.3131.3178.3-61.3175.5000111.2L78 R82 I103 F193 L196 I197L78-I80 HydrophobicContact CD1-CD1 4.39Å; L78-I80 HydrophobicContact CD1-CG1 3.93Å; L78-I80 HydrophobicContact CD2-CD1 3.91Å; L78-I80 HydrophobicContact CD2-CG1 4.31Å; L78-I80 HydrophobicContact CG-CD1 4.02Å; L78-I80 HydrophobicContact CG-CG1 3.88Å; I80-R82 HydrophobicContact CG2-CB 4.1Å; I80-R82 HydrophobicContact CG2-CG 4.46Å; I80-I103 CarbonylContact C-O 3.55Å; I80-I103 WeakPolarHBondContact CA-O 3.43Å; I80-F193 HydrophobicContact CD1-CD2 3.85Å; I80-F193 HydrophobicContact CG1-CD2 4.02Å; I80-F193 HydrophobicContact CG1-CE2 4.42Å; I80-L196 HydrophobicContact CD1-CB 3.48Å; I80-L196 VanDerWaalsContact CD1-CB 3.48Å; I80-L196 HydrophobicContact CD1-CD1 3.62Å; I80-L196 HydrophobicContact CD1-CG 4.21Å; I80-I197 HydrophobicContact CD1-CG2 4.46Å; I80-I197 HydrophobicContact CG2-CG2 3.89Å
81V97.6Very high96.2Very high32 Ų3264.9 Ų64.919%0.19432%0.319CS..EExtended strand (participates in β ladder)trans-118.6112.7161.7-173.50000107.7I84 I103 L114 L117V81-I84 HydrophobicContact CB-CD1 4.29Å; V81-I84 HydrophobicContact CG1-CD1 3.77Å; V81-I84 HydrophobicContact CG1-CG1 3.84Å; V81-I103 PolarHBondContact N-O 3.16Å; V81-I103 PolarHBondContact O-N 2.67Å; V81-L114 HydrophobicContact CG2-CD2 3.81Å; V81-L117 HydrophobicContact CB-CD1 4.18Å; V81-L117 HydrophobicContact CG2-CD1 3.6Å
82R96Very high96.4Very high64 Ų6466.1 Ų66.124%0.24233%0.326CS..EExtended strand (participates in β ladder)trans-116.6169-178.767-179.4-178.385.14.1112I80 I84 S102 I197 P200I80-R82 HydrophobicContact CG2-CB 4.1Å; I80-R82 HydrophobicContact CG2-CG 4.46Å; R82-I84 VanDerWaalsContact C-N 3.27Å; R82-I84 PolarHBondContact O-N 3.37Å; R82-S102 VanDerWaalsContact CB-OG 3.31Å; R82-S102 WeakPolarHBondContact CB-OG 3.47Å; R82-I197 HydrophobicContact CB-CG2 4.34Å; R82-P200 PolarHBondContact NH2-O 3.47Å
83D95.2Very high96.5Very high45 Ų4563.7 Ų63.724%0.24131%0.31CS..EExtended strand (participates in β ladder)trans60.132-179.7-53.5-31.9000114E85 V101 K201D83-E85 PolarHBondContact O-N 2.84Å; D83-V101 PolarHBondContact N-O 2.73Å; D83-K201 WeakPolarHBondContact OD2-CD 3.25Å; D83-K201 VanDerWaalsContact OD2-CE 3.25Å; D83-K201 WeakPolarHBondContact OD2-CE 3.38Å; D83-K201 WeakPolarHBondContact OD2-CG 3.31Å; D83-K201 IonicContact OD2-NZ 3.25Å
84I98Very high96.7Very high19 Ų1962.8 Ų62.810%0.09731%0.308CS..EExtended strand (participates in β ladder)trans-73.1109.9173.3-53.3171.6000108.1V81 R82 H100 V101 I103 A118 V121V81-I84 HydrophobicContact CB-CD1 4.29Å; V81-I84 HydrophobicContact CG1-CD1 3.77Å; V81-I84 HydrophobicContact CG1-CG1 3.84Å; R82-I84 VanDerWaalsContact C-N 3.27Å; R82-I84 PolarHBondContact O-N 3.37Å; I84-H100 CarbonylContact O-C 3.08Å; I84-H100 WeakPolarHBondContact O-CA 3.43Å; I84-V101 HydrophobicContact CB-CB 4.26Å; I84-V101 WeakPolarHBondContact CB-O 3.39Å; I84-V101 PolarHBondContact N-O 3.43Å; I84-V101 PolarHBondContact O-N 3.24Å; I84-I103 HydrophobicContact CD1-CD1 3.85Å; I84-I103 HydrophobicContact CD1-CG1 4.36Å; I84-A118 HydrophobicContact CG2-CB 4.16Å; I84-V121 HydrophobicContact CD1-CG2 4.22Å; I84-V121 HydrophobicContact CG2-CB 4.23Å; I84-V121 HydrophobicContact CG2-CG1 4.12Å; I84-V121 HydrophobicContact CG2-CG2 4.3Å
85E98.1Very high97Very high139 Ų13957 Ų5765%0.6528%0.278SS*.EExtended strand (participates in β ladder)trans-62.1136.2175.9-65.9-179.1125.800111.1D83 G99D83-E85 PolarHBondContact O-N 2.84Å; E85-G99 WeakPolarHBondContact CA-O 3.32Å
86M98.4Very high97.4Very high1 Ų156.1 Ų56.11%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-136.1150.3174.969.677.2171.500112F97 L98 G99 V101 V121 I155 A157M86-F97 HydrophobicContact CE-CD2 3.89Å; M86-F97 HydrophobicContact CE-CE2 3.79Å; M86-F97 HydrophobicContact SD-CD2 4.33Å; M86-F97 HydrophobicContact SD-CE2 4.2Å; M86-L98 WeakPolarHBondContact O-CA 3.4Å; M86-G99 PolarHBondContact N-O 3.23Å; M86-G99 PolarHBondContact O-N 2.96Å; M86-G99 VanDerWaalsContact O-N 3.12Å; M86-V101 HydrophobicContact CB-CG2 4.07Å; M86-V101 HydrophobicContact CG-CG2 3.61Å; M86-V121 HydrophobicContact CB-CG1 3.83Å; M86-I155 HydrophobicContact CE-CG2 3.35Å; M86-A157 HydrophobicContact CE-CB 3.51Å
87F98.7Very high97.7Very high93 Ų9351 Ų5141%0.40825%0.252SS..EExtended strand (participates in β ladder)trans-132.7128173.9-57.3-89.3000108.5L98 S125F87-L98 HydrophobicContact CD1-CB 3.67Å; F87-L98 HydrophobicContact CD1-CD1 4.21Å; F87-L98 HydrophobicContact CE1-CB 4Å; F87-L98 HydrophobicContact CE1-CD1 3.8Å; F87-S125 WeakPolarHBondContact O-CB 3.49Å
88S98.8Very high97.9Very high5 Ų548.6 Ų48.64%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-141.9173.3-179.8-167.50000111.2P96 F97 S125 R127 Q129S88-P96 CarbonylContact O-C 3.41Å; S88-P96 VanDerWaalsContact O-CA 3.25Å; S88-P96 WeakPolarHBondContact O-CA 3.4Å; S88-F97 PolarHBondContact N-O 3.41Å; S88-F97 PolarHBondContact O-N 3.37Å; S88-F97 VanDerWaalsContact O-O 3.13Å; S88-F97 WeakPolarHBondContact OG-CZ 3.46Å; S88-S125 VanDerWaalsContact CA-O 3.24Å; S88-S125 WeakPolarHBondContact CA-O 3.35Å; S88-S125 WeakPolarHBondContact CB-O 3.46Å; S88-S125 PolarHBondContact OG-O 3.45Å; S88-R127 PolarHBondContact OG-O 2.89Å; S88-Q129 WeakPolarHBondContact OG-CB 3.5Å; S88-Q129 WeakPolarHBondContact OG-CG 3.48Å
89M98.8Very high97.9Very high8 Ų848 Ų484%0.03924%0.242CC..EExtended strand (participates in β ladder)trans-116.2124.1-177-64.5-59.3-70.300109.7F54 E91 L94 P96 L128 Q129F54-M89 HydrophobicContact CB-CG 3.72Å; F54-M89 HydrophobicContact CB-SD 4.31Å; F54-M89 HydrophobicContact CD2-CE 4.21Å; F54-M89 HydrophobicContact CD2-CG 4.4Å; F54-M89 HydrophobicContact CD2-SD 3.95Å; F54-M89 HydrophobicContact CE2-SD 4.49Å; F54-M89 HydrophobicContact CG-CG 4.19Å; F54-M89 HydrophobicContact CG-SD 4.12Å; M89-E91 PolarHBondContact O-N 3.41Å; M89-L94 VanDerWaalsContact CE-C 3.41Å; M89-L94 WeakPolarHBondContact CE-O 3.27Å; M89-P96 HydrophobicContact CE-CG 4.28Å; M89-P96 HydrophobicContact SD-CB 4.14Å; M89-P96 HydrophobicContact SD-CG 3.8Å; M89-L128 HydrophobicContact CB-CD2 3.7Å; M89-L128 WeakPolarHBondContact O-CA 3.5Å; M89-Q129 PolarHBondContact O-N 3.34Å
90C98.5Very high98Very high8 Ų850.6 Ų50.65%0.05425%0.253CS..EExtended strand (participates in β ladder)trans-64.4120.4172.9176.80000109.4H92 H93 L94 V95 F97C90-H92 PolarHBondContact O-N 3.4Å; C90-H93 PolarHBondContact O-N 3.3Å; C90-L94 WeakPolarHBondContact O-CA 3.37Å; C90-L94 PolarHBondContact O-N 2.79Å; C90-V95 VanDerWaalsContact CB-O 3.27Å; C90-V95 WeakPolarHBondContact CB-O 3.39Å; C90-V95 PolarHBondContact N-O 3.24Å; C90-F97 HydrophobicContact CB-CD1 4.28Å
91E98.4Very high98.1Very high59 Ų5948.4 Ų48.428%0.27624%0.242SC..THydrogen-bonded Turntrans-64.7-28.3-175.569.9-174-167.700113.6M89 H93 L128 Q129 V130 R133M89-E91 PolarHBondContact O-N 3.41Å; E91-H93 VanDerWaalsContact C-N 3.34Å; E91-H93 PolarHBondContact O-N 3.44Å; E91-L128 HydrophobicContact CB-CB 3.77Å; E91-Q129 PolarHBondContact N-O 3.45Å; E91-Q129 VanDerWaalsContact N-O 3.1Å; E91-V130 HydrophobicContact CG-CG2 3.96Å; E91-V130 VanDerWaalsContact OE1-CG2 3.25Å; E91-V130 WeakPolarHBondContact OE1-CG2 3.32Å; E91-R133 IonicContact OE1-CZ 3.6Å; E91-R133 IonicContact OE1-NH1 2.84Å; E91-R133 PolarHBondContact OE1-NH1 3.45Å; E91-R133 IonicContact OE1-NH2 3.62Å; E91-R133 PolarHBondContact OE1-NH2 3.39Å; E91-R133 IonicContact OE2-CZ 3.98Å; E91-R133 IonicContact OE2-NH1 3.4Å; E91-R133 PolarHBondContact OE2-NH1 2.89Å; E91-R133 IonicContact OE2-NH2 3.57Å
92H97.9Very high98.1Very high129 Ų12947.4 Ų47.460%0.59724%0.236SC*.THydrogen-bonded Turntrans-72.7-25.9-177.6-53.8129.5000113.8C90C90-H92 PolarHBondContact O-N 3.4Å
93H97.4Very high98.2Very high79 Ų7944.4 Ų44.437%0.36623%0.225SC..THydrogen-bonded Turntrans-131.8-7.6-171-54.1115.8000113.8C90 E91 V95 C161 R165C90-H93 PolarHBondContact O-N 3.3Å; E91-H93 VanDerWaalsContact C-N 3.34Å; E91-H93 PolarHBondContact O-N 3.44Å; H93-V95 HydrophobicContact CB-CB 4.17Å; H93-V95 HydrophobicContact CB-CG2 4.06Å; H93-V95 PolarHBondContact O-N 2.68Å; H93-C161 HydrophobicContact CB-CB 4.22Å; H93-C161 VanDerWaalsContact ND1-CB 3.32Å; H93-C161 WeakPolarHBondContact ND1-CB 3.44Å; H93-R165 PolarHBondContact CD2-NH1 3.25Å
94L97.9Very high98.4Very high89 Ų8942.3 Ų42.347%0.46621%0.214SC..THydrogen-bonded Turntrans52.239.7-171.2-50.4-177.7000111.8M89 C90 L128M89-L94 VanDerWaalsContact CE-C 3.41Å; M89-L94 WeakPolarHBondContact CE-O 3.27Å; C90-L94 WeakPolarHBondContact O-CA 3.37Å; C90-L94 PolarHBondContact O-N 2.79Å; L94-L128 HydrophobicContact CD2-CD1 3.64Å; L94-L128 HydrophobicContact CD2-CD2 3.56Å; L94-L128 HydrophobicContact CD2-CG 4.23Å
95V98Very high98.4Very high31 Ų3141.5 Ų41.519%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-117.3140-179.1166.70000108.7C90 H93 M160 C161C90-V95 VanDerWaalsContact CB-O 3.27Å; C90-V95 WeakPolarHBondContact CB-O 3.39Å; C90-V95 PolarHBondContact N-O 3.24Å; H93-V95 HydrophobicContact CB-CB 4.17Å; H93-V95 HydrophobicContact CB-CG2 4.06Å; H93-V95 PolarHBondContact O-N 2.68Å; V95-M160 VanDerWaalsContact CG1-C 3.41Å; V95-M160 HydrophobicContact CG1-CB 3.43Å; V95-M160 VanDerWaalsContact CG1-CB 3.43Å; V95-C161 HydrophobicContact CB-CB 4.34Å; V95-C161 HydrophobicContact CG1-CB 4.26Å
96P98.5Very high98.4Very high57 Ų5735.9 Ų35.937%0.3718%0.184SC..EExtended strand (participates in β ladder)trans-63.3151.9-175.7-23.333.3000114.4S88 M89 M160S88-P96 CarbonylContact O-C 3.41Å; S88-P96 VanDerWaalsContact O-CA 3.25Å; S88-P96 WeakPolarHBondContact O-CA 3.4Å; M89-P96 HydrophobicContact CE-CG 4.28Å; M89-P96 HydrophobicContact SD-CB 4.14Å; M89-P96 HydrophobicContact SD-CG 3.8Å; P96-M160 WeakPolarHBondContact O-CB 3.37Å; P96-M160 WeakPolarHBondContact O-CG 3.33Å; P96-M160 PolarHBondContact O-N 2.81Å
97F98.8Very high98.4Very high1 Ų135.9 Ų35.90%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-131.1148.6155.567.2-86.3000108.5M86 S88 C90 Q129 Q131 L134 A157 S158 H159M86-F97 HydrophobicContact CE-CD2 3.89Å; M86-F97 HydrophobicContact CE-CE2 3.79Å; M86-F97 HydrophobicContact SD-CD2 4.33Å; M86-F97 HydrophobicContact SD-CE2 4.2Å; S88-F97 PolarHBondContact N-O 3.41Å; S88-F97 PolarHBondContact O-N 3.37Å; S88-F97 VanDerWaalsContact O-O 3.13Å; S88-F97 WeakPolarHBondContact OG-CZ 3.46Å; C90-F97 HydrophobicContact CB-CD1 4.28Å; F97-Q129 HydrophobicContact CE1-CB 4.04Å; F97-Q129 HydrophobicContact CZ-CB 3.9Å; F97-Q131 HydrophobicContact CE2-CB 4.38Å; F97-Q131 HydrophobicContact CE2-CG 4.44Å; F97-L134 HydrophobicContact CE2-CD2 4.09Å; F97-L134 HydrophobicContact CZ-CD2 4.12Å; F97-A157 HydrophobicContact CD2-CB 3.97Å; F97-S158 VanDerWaalsContact CA-O 3.25Å; F97-S158 WeakPolarHBondContact CA-O 3.21Å; F97-S158 WeakPolarHBondContact CB-O 3.4Å; F97-H159 HydrophobicContact CB-CB 4.25Å; F97-H159 AromaticContact CD2-CE1 3.82Å; F97-H159 AromaticContact CG-CE1 3.66Å; F97-H159 AromaticContact CG-ND1 3.75Å
98L98.6Very high98.2Very high66 Ų6635.7 Ų35.735%0.34619%0.187SC..EExtended strand (participates in β ladder)trans-144152.1-173.267.9166.9000110.4M86 F87 A157 S158 M160M86-L98 WeakPolarHBondContact O-CA 3.4Å; F87-L98 HydrophobicContact CD1-CB 3.67Å; F87-L98 HydrophobicContact CD1-CD1 4.21Å; F87-L98 HydrophobicContact CE1-CB 4Å; F87-L98 HydrophobicContact CE1-CD1 3.8Å; L98-A157 CarbonylContact O-C 2.95Å; L98-A157 VanDerWaalsContact O-CA 3.28Å; L98-A157 WeakPolarHBondContact O-CA 3.35Å; L98-A157 WeakPolarHBondContact O-CB 3.38Å; L98-S158 PolarHBondContact N-O 3.27Å; L98-S158 VanDerWaalsContact N-O 3.09Å; L98-S158 PolarHBondContact O-N 3.02Å; L98-M160 HydrophobicContact CD2-CE 3.81Å; L98-M160 HydrophobicContact CD2-CG 4.42Å
99G98.5Very high97.9Very high13 Ų1342.6 Ų42.613%0.13422%0.216CC..EExtended strand (participates in β ladder)trans173.2-153-177.500000112.8E85 M86 E156E85-G99 WeakPolarHBondContact CA-O 3.32Å; M86-G99 PolarHBondContact N-O 3.23Å; M86-G99 PolarHBondContact O-N 2.96Å; M86-G99 VanDerWaalsContact O-N 3.12Å; G99-E156 CarbonylContact C-O 3.53Å; G99-E156 WeakPolarHBondContact CA-O 3.09Å
100H98.4Very high97.8Very high78 Ų7846.6 Ų46.636%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-124.7142.2-174.7-57.989.9000110.7I84 I155 E156I84-H100 CarbonylContact O-C 3.08Å; I84-H100 WeakPolarHBondContact O-CA 3.43Å; H100-I155 WeakPolarHBondContact O-CA 3.05Å; H100-E156 PolarHBondContact N-O 3.35Å; H100-E156 PolarHBondContact O-N 2.8Å
101V98.8Very high97.6Very high0 Ų047.3 Ų47.30%024%0.237CC..EExtended strand (participates in β ladder)trans-111.2132.7172.2-173.10000108.7D83 I84 M86 I103 V121 I138 V153 V154 I155D83-V101 PolarHBondContact N-O 2.73Å; I84-V101 HydrophobicContact CB-CB 4.26Å; I84-V101 WeakPolarHBondContact CB-O 3.39Å; I84-V101 PolarHBondContact N-O 3.43Å; I84-V101 PolarHBondContact O-N 3.24Å; M86-V101 HydrophobicContact CB-CG2 4.07Å; M86-V101 HydrophobicContact CG-CG2 3.61Å; V101-I103 HydrophobicContact CG1-CD1 4.43Å; V101-I103 HydrophobicContact CG1-CG1 4.01Å; V101-V121 HydrophobicContact CB-CG1 4.2Å; V101-V121 HydrophobicContact CB-CG2 4.18Å; V101-V121 HydrophobicContact CG1-CG2 3.96Å; V101-V121 HydrophobicContact CG2-CG1 3.65Å; V101-V121 HydrophobicContact CG2-CG2 4.4Å; V101-I138 HydrophobicContact CG1-CD1 4.44Å; V101-V153 HydrophobicContact CG1-CG1 3.78Å; V101-V154 WeakPolarHBondContact CA-O 3.47Å; V101-I155 HydrophobicContact CB-CG1 4.39Å; V101-I155 HydrophobicContact CG1-CD1 4.5Å; V101-I155 HydrophobicContact CG1-CG1 4.04Å; V101-I155 HydrophobicContact CG2-CD1 3.99Å; V101-I155 HydrophobicContact CG2-CG1 3.9Å; V101-I155 HydrophobicContact CG2-CG2 4.43Å
102S98.7Very high97.5Very high12 Ų1244.8 Ų44.88%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-114.2131.3166.4-58.50000109.6R82 V153 V154R82-S102 VanDerWaalsContact CB-OG 3.31Å; R82-S102 WeakPolarHBondContact CB-OG 3.47Å; S102-V153 CarbonylContact O-C 3.54Å; S102-V153 WeakPolarHBondContact O-CA 3.25Å; S102-V154 PolarHBondContact N-O 3.43Å; S102-V154 PolarHBondContact O-N 2.94Å
103I98.8Very high97.4Very high1 Ų139.5 Ų39.51%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-119.7129.4179.4-63170.2000107.4I80 V81 I84 V101 L117 V121 I138 I142 G152 V153I80-I103 CarbonylContact C-O 3.55Å; I80-I103 WeakPolarHBondContact CA-O 3.43Å; V81-I103 PolarHBondContact N-O 3.16Å; V81-I103 PolarHBondContact O-N 2.67Å; I84-I103 HydrophobicContact CD1-CD1 3.85Å; I84-I103 HydrophobicContact CD1-CG1 4.36Å; V101-I103 HydrophobicContact CG1-CD1 4.43Å; V101-I103 HydrophobicContact CG1-CG1 4.01Å; I103-L117 HydrophobicContact CD1-CB 4.09Å; I103-L117 HydrophobicContact CD1-CD2 4.34Å; I103-L117 HydrophobicContact CG2-CD2 4.29Å; I103-V121 HydrophobicContact CD1-CG2 3.72Å; I103-I138 HydrophobicContact CD1-CG2 3.95Å; I103-I138 HydrophobicContact CG1-CG2 4.34Å; I103-I142 HydrophobicContact CB-CD1 4.44Å; I103-I142 HydrophobicContact CD1-CD1 4.13Å; I103-I142 HydrophobicContact CG1-CD1 4.26Å; I103-I142 HydrophobicContact CG2-CD1 3.37Å; I103-G152 WeakPolarHBondContact CA-O 3.5Å; I103-V153 HydrophobicContact CG1-CG1 4.48Å; I103-V153 HydrophobicContact CG1-CG2 4.3Å
104G98.4Very high97.3Very high0 Ų040.8 Ų40.80%022%0.215CC..EExtended strand (participates in β ladder)trans-126.4141.4167.900000110V79 V151 G152 F193V79-G104 CarbonylContact O-C 3.59Å; V79-G104 VanDerWaalsContact O-CA 3.23Å; V79-G104 WeakPolarHBondContact O-CA 3.47Å; G104-V151 CarbonylContact O-C 3.59Å; G104-V151 WeakPolarHBondContact O-CA 3.4Å; G104-V151 WeakPolarHBondContact O-CG2 3.45Å; G104-G152 PolarHBondContact N-O 3.2Å; G104-G152 PolarHBondContact O-N 2.96Å; G104-F193 VanDerWaalsContact N-CE2 3.33Å
105Y98.5Very high97.2Very high3 Ų340 Ų401%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-148.4152.6170.768.5-82000111V79 P107 L117 L146 P148 G150V79-Y105 HydrophobicContact CB-CD1 4.34Å; V79-Y105 HydrophobicContact CB-CE1 3.92Å; V79-Y105 HydrophobicContact CB-CE2 4.4Å; V79-Y105 HydrophobicContact CG1-CE1 3.8Å; V79-Y105 PolarHBondContact N-O 3.45Å; V79-Y105 PolarHBondContact O-N 2.89Å; Y105-P107 HydrophobicContact CD2-CB 4.49Å; Y105-P107 HydrophobicContact CD2-CG 4.17Å; Y105-P107 HydrophobicContact CE2-CB 4.17Å; Y105-P107 HydrophobicContact CE2-CG 3.78Å; Y105-L117 HydrophobicContact CE1-CD1 4.13Å; Y105-L146 HydrophobicContact CD2-CD1 3.92Å; Y105-L146 HydrophobicContact CE1-CD1 4.39Å; Y105-L146 HydrophobicContact CE2-CD1 3.6Å; Y105-L146 HydrophobicContact CG-CD1 4.44Å; Y105-P148 HydrophobicContact CD2-CB 4.28Å; Y105-G150 CarbonylContact C-O 3.41Å; Y105-G150 VanDerWaalsContact CA-O 3.22Å; Y105-G150 WeakPolarHBondContact CA-O 3.07Å; Y105-G150 WeakPolarHBondContact CB-O 3.17Å
106I98.1Very high97.2Very high21 Ų2139.8 Ų39.811%0.10821%0.213CC..EExtended strand (participates in β ladder)trans-103.3111.6171.4-67.2169.7000107.1D76 L78 P148 V149 G150 F183D76-I106 WeakPolarHBondContact O-CG2 3.38Å; L78-I106 HydrophobicContact CB-CG1 4.44Å; L78-I106 HydrophobicContact CD1-CG1 4.39Å; I106-P148 CarbonylContact O-C 3.58Å; I106-P148 WeakPolarHBondContact O-CA 3.43Å; I106-P148 WeakPolarHBondContact O-CB 3.2Å; I106-V149 HydrophobicContact CB-CB 4.21Å; I106-V149 HydrophobicContact CG2-CB 3.94Å; I106-V149 HydrophobicContact CG2-CG2 4.23Å; I106-V149 PolarHBondContact O-N 2.81Å; I106-G150 PolarHBondContact N-O 3.43Å; I106-F183 HydrophobicContact CD1-CD1 4.3Å; I106-F183 HydrophobicContact CD1-CE1 3.69Å; I106-F183 HydrophobicContact CG1-CE1 3.82Å
107P97.6Very high97.2Very high1 Ų137.1 Ų37.11%0.00620%0.196CC..  trans-62.2153-175.5-13.324.2000112.2H75 E77 V79 Y105 K110 V111H75-P107 VanDerWaalsContact O-CB 3.23Å; H75-P107 WeakPolarHBondContact O-CB 3.44Å; H75-P107 VanDerWaalsContact O-CG 3.32Å; H75-P107 WeakPolarHBondContact O-CG 3.46Å; E77-P107 WeakPolarHBondContact O-CD 3.37Å; V79-P107 HydrophobicContact CG2-CG 3.96Å; Y105-P107 HydrophobicContact CD2-CB 4.49Å; Y105-P107 HydrophobicContact CD2-CG 4.17Å; Y105-P107 HydrophobicContact CE2-CB 4.17Å; Y105-P107 HydrophobicContact CE2-CG 3.78Å; P107-K110 WeakPolarHBondContact CB-O 3.39Å; P107-V111 HydrophobicContact CB-CG1 4.1Å; P107-V111 HydrophobicContact CG-CG1 3.96Å
108N95.5Very high97.1Very high88 Ų8839 Ų3947%0.47121%0.212SC..SBendtrans-116.772.6166.8-178.416.7000107.8K110 Q147 V149N108-K110 PolarHBondContact O-N 2.89Å; N108-Q147 WeakPolarHBondContact CB-O 3.25Å; N108-V149 HydrophobicContact CB-CG2 4.15Å
109K92.9Very high97.1Very high150 Ų15042.3 Ų42.365%0.65222%0.22SC*.SBendtrans65.9-2.7-174-49.6178.5178.6-176.40116.1D72 E73D72-K109 CarbonylContact C-O 3.59Å; D72-K109 VanDerWaalsContact CA-O 3.27Å; D72-K109 WeakPolarHBondContact CA-O 3.4Å; E73-K109 PolarHBondContact N-O 3.39Å; E73-K109 CarbonylContact O-C 3.54Å; E73-K109 WeakPolarHBondContact O-CA 3.39Å
110K94.8Very high97.1Very high93 Ų9341.7 Ų41.740%0.40421%0.214SC..EExtended strand (participates in β ladder)trans-125.5127.5-176-70.4-175175.9-171.70111.8I70 F71 P107 N108 L146I70-K110 HydrophobicContact CG2-CB 4.07Å; I70-K110 HydrophobicContact CG2-CD 4.04Å; I70-K110 HydrophobicContact CG2-CG 4.25Å; F71-K110 WeakPolarHBondContact O-CA 3.37Å; P107-K110 WeakPolarHBondContact CB-O 3.39Å; N108-K110 PolarHBondContact O-N 2.89Å; K110-L146 HydrophobicContact CB-CD2 4.23Å
111V96Very high97.1Very high22 Ų2238 Ų3813%0.13320%0.197CC..EExtended strand (participates in β ladder)trans-115.9156.4173.3-62.10000110.4I70 F71 E73 P107I70-V111 CarbonylContact C-O 3.57Å; I70-V111 WeakPolarHBondContact CA-O 3.21Å; F71-V111 HydrophobicContact CB-CG2 4.01Å; F71-V111 PolarHBondContact N-O 3.36Å; F71-V111 PolarHBondContact O-N 2.95Å; E73-V111 HydrophobicContact CB-CB 4.48Å; E73-V111 HydrophobicContact CB-CG1 3.98Å; E73-V111 HydrophobicContact CB-CG2 3.7Å; E73-V111 HydrophobicContact CG-CG1 4.41Å; E73-V111 HydrophobicContact CG-CG2 4.37Å; P107-V111 HydrophobicContact CB-CG1 4.1Å; P107-V111 HydrophobicContact CG-CG1 3.96Å
112I96.3Very high97.1Very high6 Ų640.3 Ų40.33%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-110.8146.4175.5-162.4175.4000109.7V66 A69 I70 L114 K116 L117 I120 L146V66-I112 HydrophobicContact CG1-CD1 4.34Å; V66-I112 HydrophobicContact CG2-CD1 4.18Å; A69-I112 CarbonylContact O-C 3.58Å; A69-I112 WeakPolarHBondContact O-CA 3.34Å; A69-I112 WeakPolarHBondContact O-CG1 3.35Å; I70-I112 HydrophobicContact CG1-CG1 4.49Å; I112-L114 PolarHBondContact O-N 3.16Å; I112-K116 HydrophobicContact CD1-CB 3.56Å; I112-K116 HydrophobicContact CD1-CG 4.3Å; I112-K116 HydrophobicContact CG1-CB 3.79Å; I112-K116 HydrophobicContact CG1-CG 4.14Å; I112-L117 HydrophobicContact CG2-CD1 4.17Å; I112-L117 HydrophobicContact CG2-CD2 3.73Å; I112-L117 HydrophobicContact CG2-CG 3.72Å; I112-I120 HydrophobicContact CD1-CD1 4.07Å; I112-L146 HydrophobicContact CB-CD1 4.04Å; I112-L146 HydrophobicContact CB-CD2 4Å; I112-L146 HydrophobicContact CB-CG 4.36Å; I112-L146 HydrophobicContact CG2-CD1 3.92Å
113G95.6Very high97.1Very high18 Ų1839.8 Ų39.819%0.18620%0.204CC..  trans-54.6125.7169.500000111A69 S115 K116A69-G113 PolarHBondContact O-N 2.85Å; G113-S115 PolarHBondContact O-N 3.12Å; G113-S115 VanDerWaalsContact O-N 3.1Å; G113-K116 WeakPolarHBondContact O-CA 3.29Å; G113-K116 WeakPolarHBondContact O-CB 3.45Å; G113-K116 WeakPolarHBondContact O-CG 3.25Å; G113-K116 PolarHBondContact O-N 2.9Å
114L94.6Very high97.1Very high106 Ų10641.1 Ų41.156%0.55521%0.209SC*.Hα-helixtrans-56.2-35.1-170.9-57.7-178000113.4V81 I112 K116 L117V81-L114 HydrophobicContact CG2-CD2 3.81Å; I112-L114 PolarHBondContact O-N 3.16Å; L114-K116 PolarHBondContact O-N 3.09Å; L114-L117 WeakPolarHBondContact O-CB 3.01Å; L114-L117 PolarHBondContact O-N 3.26Å; L114-L117 VanDerWaalsContact O-N 3.13Å
115S96Very high97.1Very high72 Ų7241.1 Ų41.150%0.50321%0.209SC..Hα-helixtrans-61.9-23.6175.866.60000113.3G113 R119G113-S115 PolarHBondContact O-N 3.12Å; G113-S115 VanDerWaalsContact O-N 3.1Å; S115-R119 WeakPolarHBondContact O-CG 3.48Å; S115-R119 PolarHBondContact O-N 3.48Å; S115-R119 VanDerWaalsContact O-N 3.16Å
116K97.4Very high97.1Very high27 Ų2742.2 Ų42.212%0.11721%0.213CC..Hα-helixtrans-73.7-32.3176.5-56.1-50.3-163.3163.30112.4I65 A69 I112 G113 L114 A118 R119 I120I65-K116 WeakPolarHBondContact O-CD 3.47Å; I65-K116 WeakPolarHBondContact O-CE 3.36Å; I65-K116 PolarHBondContact O-NZ 2.74Å; A69-K116 HydrophobicContact CB-CD 4.16Å; A69-K116 HydrophobicContact CB-CG 3.67Å; I112-K116 HydrophobicContact CD1-CB 3.56Å; I112-K116 HydrophobicContact CD1-CG 4.3Å; I112-K116 HydrophobicContact CG1-CB 3.79Å; I112-K116 HydrophobicContact CG1-CG 4.14Å; G113-K116 WeakPolarHBondContact O-CA 3.29Å; G113-K116 WeakPolarHBondContact O-CB 3.45Å; G113-K116 WeakPolarHBondContact O-CG 3.25Å; G113-K116 PolarHBondContact O-N 2.9Å; L114-K116 PolarHBondContact O-N 3.09Å; K116-A118 VanDerWaalsContact C-N 3.32Å; K116-A118 PolarHBondContact O-N 2.85Å; K116-R119 PolarHBondContact O-N 3.17Å; K116-R119 VanDerWaalsContact O-N 3.16Å; K116-I120 VanDerWaalsContact O-CG1 3.27Å; K116-I120 WeakPolarHBondContact O-CG1 3.34Å; K116-I120 PolarHBondContact O-N 3.25Å
117L98.1Very high97.2Very high1 Ų143 Ų431%0.00522%0.215CC..Hα-helixtrans-60.3-46173.4-66.6173.5000110.5V81 I103 Y105 I112 L114 R119 I120 V121 I142V81-L117 HydrophobicContact CB-CD1 4.18Å; V81-L117 HydrophobicContact CG2-CD1 3.6Å; I103-L117 HydrophobicContact CD1-CB 4.09Å; I103-L117 HydrophobicContact CD1-CD2 4.34Å; I103-L117 HydrophobicContact CG2-CD2 4.29Å; Y105-L117 HydrophobicContact CE1-CD1 4.13Å; I112-L117 HydrophobicContact CG2-CD1 4.17Å; I112-L117 HydrophobicContact CG2-CD2 3.73Å; I112-L117 HydrophobicContact CG2-CG 3.72Å; L114-L117 WeakPolarHBondContact O-CB 3.01Å; L114-L117 PolarHBondContact O-N 3.26Å; L114-L117 VanDerWaalsContact O-N 3.13Å; L117-R119 VanDerWaalsContact C-N 3.32Å; L117-R119 PolarHBondContact O-N 2.81Å; L117-I120 PolarHBondContact O-N 3.32Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 3.18Å; L117-I142 HydrophobicContact CD2-CD1 4.32Å; L117-I142 HydrophobicContact CD2-CG1 4.13Å
118A98Very high97.2Very high41 Ų4145 Ų4534%0.33923%0.225SC..Hα-helixtrans-61.1-39174.300000112.5I84 K116 V121 E122I84-A118 HydrophobicContact CG2-CB 4.16Å; K116-A118 VanDerWaalsContact C-N 3.32Å; K116-A118 PolarHBondContact O-N 2.85Å; A118-V121 WeakPolarHBondContact O-CB 3.35Å; A118-V121 PolarHBondContact O-N 2.95Å; A118-E122 PolarHBondContact O-N 3.26Å
119R98.3Very high97.4Very high135 Ų13541 Ų4151%0.50920%0.203SC..Hα-helixtrans-68.4-36.7176.1-69.7177-174.1-163.13.2113.2I65 S115 K116 L117 V121 E122 M123I65-R119 HydrophobicContact CG2-CB 3.57Å; S115-R119 WeakPolarHBondContact O-CG 3.48Å; S115-R119 PolarHBondContact O-N 3.48Å; S115-R119 VanDerWaalsContact O-N 3.16Å; K116-R119 PolarHBondContact O-N 3.17Å; K116-R119 VanDerWaalsContact O-N 3.16Å; L117-R119 VanDerWaalsContact C-N 3.32Å; L117-R119 PolarHBondContact O-N 2.81Å; R119-V121 VanDerWaalsContact C-N 3.33Å; R119-E122 PolarHBondContact O-N 2.88Å; R119-M123 WeakPolarHBondContact O-CB 3.49Å; R119-M123 PolarHBondContact O-N 3.1Å
120I98.7Very high97.7Very high1 Ų135.4 Ų35.41%0.00518%0.182CC..Hα-helixtrans-62.9-43.6173.7-69.9165.9000109.8L62 I65 V66 I112 K116 L117 M123 Y124 I138 A141L62-I120 HydrophobicContact CD1-CD1 4.06Å; L62-I120 HydrophobicContact CD1-CG1 3.79Å; I65-I120 HydrophobicContact CG2-CG1 4.07Å; V66-I120 HydrophobicContact CG2-CD1 4.36Å; I112-I120 HydrophobicContact CD1-CD1 4.07Å; K116-I120 VanDerWaalsContact O-CG1 3.27Å; K116-I120 WeakPolarHBondContact O-CG1 3.34Å; K116-I120 PolarHBondContact O-N 3.25Å; L117-I120 PolarHBondContact O-N 3.32Å; I120-M123 PolarHBondContact O-N 3.25Å; I120-Y124 HydrophobicContact CG2-CD2 4.05Å; I120-Y124 HydrophobicContact CG2-CE2 4.05Å; I120-Y124 WeakPolarHBondContact O-CD2 3.2Å; I120-Y124 PolarHBondContact O-N 3.33Å; I120-I138 HydrophobicContact CG2-CG2 4.43Å; I120-A141 HydrophobicContact CG2-CB 3.96Å
121V98.8Very high97.9Very high1 Ų131 Ų311%0.00616%0.163CC..Hα-helixtrans-58.8-51.3174.3171.90000110.9I84 M86 V101 I103 L117 A118 R119 M123 Y124 S125 I138I84-V121 HydrophobicContact CD1-CG2 4.22Å; I84-V121 HydrophobicContact CG2-CB 4.23Å; I84-V121 HydrophobicContact CG2-CG1 4.12Å; I84-V121 HydrophobicContact CG2-CG2 4.3Å; M86-V121 HydrophobicContact CB-CG1 3.83Å; V101-V121 HydrophobicContact CB-CG1 4.2Å; V101-V121 HydrophobicContact CB-CG2 4.18Å; V101-V121 HydrophobicContact CG1-CG2 3.96Å; V101-V121 HydrophobicContact CG2-CG1 3.65Å; V101-V121 HydrophobicContact CG2-CG2 4.4Å; I103-V121 HydrophobicContact CD1-CG2 3.72Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 3.18Å; A118-V121 WeakPolarHBondContact O-CB 3.35Å; A118-V121 PolarHBondContact O-N 2.95Å; R119-V121 VanDerWaalsContact C-N 3.33Å; V121-M123 PolarHBondContact O-N 2.83Å; V121-Y124 PolarHBondContact O-N 2.84Å; V121-S125 WeakPolarHBondContact O-CB 3.36Å; V121-S125 PolarHBondContact O-N 2.68Å; V121-S125 PolarHBondContact O-OG 3Å; V121-I138 HydrophobicContact CB-CD1 4.49Å; V121-I138 HydrophobicContact CG1-CD1 4.45Å; V121-I138 HydrophobicContact CG2-CD1 4.13Å; V121-I138 HydrophobicContact CG2-CG2 4.24Å
122E98.6Very high98Very high48 Ų4835.5 Ų35.522%0.22418%0.182CC..Hα-helixtrans-58.5-45.5178.717373.3177.300111.4K56 A118 R119 Y124 S125 R126K56-E122 WeakPolarHBondContact CE-OE1 3.14Å; K56-E122 IonicContact NZ-OE1 3.59Å; K56-E122 PolarHBondContact NZ-OE1 2.91Å; A118-E122 PolarHBondContact O-N 3.26Å; R119-E122 PolarHBondContact O-N 2.88Å; E122-Y124 PolarHBondContact O-N 3.41Å; E122-S125 PolarHBondContact O-N 2.87Å; E122-S125 VanDerWaalsContact O-N 3.16Å; E122-R126 VanDerWaalsContact CD-NE 3.25Å; E122-R126 HydrophobicContact CG-CG 4.13Å; E122-R126 WeakPolarHBondContact O-CB 3.33Å; E122-R126 VanDerWaalsContact O-CG 3.24Å; E122-R126 WeakPolarHBondContact O-CG 3.43Å; E122-R126 PolarHBondContact O-N 3.37Å; E122-R126 WeakPolarHBondContact OE1-CG 3.28Å; E122-R126 IonicContact OE1-CZ 2.73Å; E122-R126 IonicContact OE1-NE 3.85Å; E122-R126 PolarHBondContact OE1-NE 3.18Å; E122-R126 IonicContact OE1-NH2 3.18Å; E122-R126 PolarHBondContact OE1-NH2 3.12Å; E122-R126 IonicContact OE2-CZ 3.46Å; E122-R126 IonicContact OE2-NE 3Å; E122-R126 PolarHBondContact OE2-NE 3.44Å; E122-R126 IonicContact OE2-NH2 2.68Å; E122-R126 PolarHBondContact OE2-NH2 2.87Å
123M98.7Very high98.1Very high1 Ų140.1 Ų40.11%0.00520%0.199CC..Hα-helixtrans-56.5-47.8-179.9178.1-174.966.800112.7G57 E60 L62 I65 R119 I120 V121 R127G57-M123 VanDerWaalsContact CA-O 3.25Å; G57-M123 WeakPolarHBondContact CA-O 3.45Å; E60-M123 HydrophobicContact CB-CG 3.74Å; E60-M123 HydrophobicContact CB-SD 4.07Å; E60-M123 WeakPolarHBondContact OE2-CA 3.18Å; L62-M123 HydrophobicContact CB-CE 4.15Å; L62-M123 HydrophobicContact CD1-CE 4.09Å; I65-M123 HydrophobicContact CD1-CB 3.46Å; I65-M123 VanDerWaalsContact CD1-CB 3.46Å; I65-M123 HydrophobicContact CD1-CE 4.25Å; I65-M123 HydrophobicContact CD1-CG 3.76Å; I65-M123 HydrophobicContact CD1-SD 3.35Å; I65-M123 WeakPolarHBondContact CD1-SD 3.46Å; R119-M123 WeakPolarHBondContact O-CB 3.49Å; R119-M123 PolarHBondContact O-N 3.1Å; I120-M123 PolarHBondContact O-N 3.25Å; V121-M123 PolarHBondContact O-N 2.83Å; M123-R127 PolarHBondContact O-NE 3.25Å
124Y98.8Very high98.3Very high29 Ų2939.3 Ų39.311%0.11419%0.19CC..Hα-helixtrans-76.8-30.2178.7-71.7-68.7000112.4I120 V121 E122 Q129 L134 Q137 I138 A141I120-Y124 HydrophobicContact CG2-CD2 4.05Å; I120-Y124 HydrophobicContact CG2-CE2 4.05Å; I120-Y124 WeakPolarHBondContact O-CD2 3.2Å; I120-Y124 PolarHBondContact O-N 3.33Å; V121-Y124 PolarHBondContact O-N 2.84Å; E122-Y124 PolarHBondContact O-N 3.41Å; Y124-Q129 PolarHBondContact O-NE2 3.2Å; Y124-L134 VanDerWaalsContact C-CD1 3.49Å; Y124-L134 VanDerWaalsContact CB-CD1 3.43Å; Y124-Q137 HydrophobicContact CD1-CB 3.68Å; Y124-Q137 HydrophobicContact CD1-CG 4.15Å; Y124-Q137 HydrophobicContact CD2-CB 4.35Å; Y124-Q137 HydrophobicContact CE1-CB 3.83Å; Y124-Q137 HydrophobicContact CE1-CG 4.16Å; Y124-Q137 HydrophobicContact CE2-CB 4.48Å; Y124-Q137 HydrophobicContact CG-CB 3.96Å; Y124-I138 HydrophobicContact CD2-CG1 4.11Å; Y124-A141 HydrophobicContact CE2-CB 3.58Å
125S98.8Very high98.5Very high0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-71.5-31.4179.3-58.20000112.2F87 S88 V121 E122 R127F87-S125 WeakPolarHBondContact O-CB 3.49Å; S88-S125 VanDerWaalsContact CA-O 3.24Å; S88-S125 WeakPolarHBondContact CA-O 3.35Å; S88-S125 WeakPolarHBondContact CB-O 3.46Å; S88-S125 PolarHBondContact OG-O 3.45Å; V121-S125 WeakPolarHBondContact O-CB 3.36Å; V121-S125 PolarHBondContact O-N 2.68Å; V121-S125 PolarHBondContact O-OG 3Å; E122-S125 PolarHBondContact O-N 2.87Å; E122-S125 VanDerWaalsContact O-N 3.16Å; S125-R127 PolarHBondContact O-N 2.94Å
126R98.6Very high98.6Very high26 Ų2637.3 Ų37.310%0.09817%0.168CC..SBendtrans-79.952.4176.4-63.5-67.1-178.1-157.1-7.9112.7F54 T55 K56 G57 E122F54-R126 CarbonylContact O-C 3.52Å; F54-R126 VanDerWaalsContact O-CA 3.25Å; F54-R126 WeakPolarHBondContact O-CA 3.42Å; T55-R126 CarbonylContact C-O 3.59Å; T55-R126 WeakPolarHBondContact CA-O 3.5Å; K56-R126 HydrophobicContact CG-CB 3.99Å; K56-R126 HydrophobicContact CG-CG 4.31Å; G57-R126 VanDerWaalsContact CA-O 3.32Å; G57-R126 WeakPolarHBondContact CA-O 3.47Å; G57-R126 PolarHBondContact N-O 2.74Å; E122-R126 VanDerWaalsContact CD-NE 3.25Å; E122-R126 HydrophobicContact CG-CG 4.13Å; E122-R126 WeakPolarHBondContact O-CB 3.33Å; E122-R126 VanDerWaalsContact O-CG 3.24Å; E122-R126 WeakPolarHBondContact O-CG 3.43Å; E122-R126 PolarHBondContact O-N 3.37Å; E122-R126 WeakPolarHBondContact OE1-CG 3.28Å; E122-R126 IonicContact OE1-CZ 2.73Å; E122-R126 IonicContact OE1-NE 3.85Å; E122-R126 PolarHBondContact OE1-NE 3.18Å; E122-R126 IonicContact OE1-NH2 3.18Å; E122-R126 PolarHBondContact OE1-NH2 3.12Å; E122-R126 IonicContact OE2-CZ 3.46Å; E122-R126 IonicContact OE2-NE 3Å; E122-R126 PolarHBondContact OE2-NE 3.44Å; E122-R126 IonicContact OE2-NH2 2.68Å; E122-R126 PolarHBondContact OE2-NH2 2.87Å
127R98.7Very high98.7Very high37 Ų3738.5 Ų38.514%0.1417%0.174CC..SBendtrans-143.5170.4178-63.3-177.4-176.2-167.8-2109.2F54 G57 Y58 S88 M123 S125 Q129F54-R127 PolarHBondContact O-N 3.09Å; G57-R127 VanDerWaalsContact O-CZ 3.24Å; G57-R127 PolarHBondContact O-NE 2.86Å; G57-R127 PolarHBondContact O-NH2 3.34Å; Y58-R127 HydrophobicContact CD1-CB 4.48Å; Y58-R127 HydrophobicContact CD1-CG 3.88Å; Y58-R127 HydrophobicContact CD2-CB 4.45Å; Y58-R127 HydrophobicContact CD2-CG 4.16Å; Y58-R127 HydrophobicContact CE1-CB 3.94Å; Y58-R127 HydrophobicContact CE1-CG 3.81Å; Y58-R127 HydrophobicContact CE2-CB 3.92Å; Y58-R127 HydrophobicContact CE2-CG 4.11Å; Y58-R127 HydrophobicContact CG-CG 4.04Å; S88-R127 PolarHBondContact OG-O 2.89Å; M123-R127 PolarHBondContact O-NE 3.25Å; S125-R127 PolarHBondContact O-N 2.94Å; R127-Q129 HydrophobicContact CB-CG 4.05Å
128L98.8Very high98.7Very high43 Ų4338.4 Ų38.423%0.22517%0.174CC..EExtended strand (participates in β ladder)trans-77.5125.9162.7-56.9-175.6000107.5T55 Y58 M89 E91 L94T55-L128 HydrophobicContact CG2-CD2 4.13Å; T55-L128 HydrophobicContact CG2-CG 4.26Å; Y58-L128 PolarHBondContact OH-N 3.45Å; Y58-L128 PolarHBondContact OH-O 2.95Å; M89-L128 HydrophobicContact CB-CD2 3.7Å; M89-L128 WeakPolarHBondContact O-CA 3.5Å; E91-L128 HydrophobicContact CB-CB 3.77Å; L94-L128 HydrophobicContact CD2-CD1 3.64Å; L94-L128 HydrophobicContact CD2-CD2 3.56Å; L94-L128 HydrophobicContact CD2-CG 4.23Å
129Q98.8Very high98.7Very high3 Ų336.5 Ų36.51%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-137.7157.6-165.8-74.5-68.95.200113.7S88 M89 E91 F97 Y124 R127 L134S88-Q129 WeakPolarHBondContact OG-CB 3.5Å; S88-Q129 WeakPolarHBondContact OG-CG 3.48Å; M89-Q129 PolarHBondContact O-N 3.34Å; E91-Q129 PolarHBondContact N-O 3.45Å; E91-Q129 VanDerWaalsContact N-O 3.1Å; F97-Q129 HydrophobicContact CE1-CB 4.04Å; F97-Q129 HydrophobicContact CZ-CB 3.9Å; Y124-Q129 PolarHBondContact O-NE2 3.2Å; R127-Q129 HydrophobicContact CB-CG 4.05Å; Q129-L134 HydrophobicContact CG-CB 4.38Å
130V98.7Very high98.8Very high33 Ų3332.4 Ų32.420%0.215%0.15CC..  trans-111.2134.1156.5169.80000106E91 E132 R133 L134E91-V130 HydrophobicContact CG-CG2 3.96Å; E91-V130 VanDerWaalsContact OE1-CG2 3.25Å; E91-V130 WeakPolarHBondContact OE1-CG2 3.32Å; V130-E132 VanDerWaalsContact C-N 3.27Å; V130-E132 HydrophobicContact CG1-CB 4.26Å; V130-E132 WeakPolarHBondContact CG1-OE2 3.14Å; V130-E132 PolarHBondContact O-N 3.24Å; V130-R133 HydrophobicContact CB-CB 4.3Å; V130-R133 WeakPolarHBondContact O-CB 3.32Å; V130-R133 PolarHBondContact O-N 3.47Å; V130-L134 PolarHBondContact O-N 3.46Å
131Q98.7Very high98.8Very high1 Ų132.4 Ų32.41%0.00515%0.151CC..Hα-helixtrans-59.4-40-170.1-172.9-178-43.900111.9F97 R133 L134 T135 I155 H159 T174 T176F97-Q131 HydrophobicContact CE2-CB 4.38Å; F97-Q131 HydrophobicContact CE2-CG 4.44Å; Q131-R133 VanDerWaalsContact C-N 3.3Å; Q131-R133 PolarHBondContact O-N 2.97Å; Q131-L134 WeakPolarHBondContact O-CB 3.25Å; Q131-L134 PolarHBondContact O-N 2.69Å; Q131-T135 PolarHBondContact O-N 3.07Å; Q131-T135 PolarHBondContact O-OG1 3.17Å; Q131-I155 HydrophobicContact CG-CB 4.4Å; Q131-I155 HydrophobicContact CG-CG2 3.99Å; Q131-I155 PolarHBondContact NE2-O 2.96Å; Q131-H159 PolarHBondContact OE1-NE2 2.85Å; Q131-T174 PolarHBondContact NE2-O 2.96Å; Q131-T176 HydrophobicContact CB-CG2 4.34Å; Q131-T176 HydrophobicContact CG-CG2 4.01Å; Q131-T176 WeakPolarHBondContact CG-OG1 3.48Å; Q131-T176 PolarHBondContact NE2-OG1 3.39Å
132E98.8Very high98.7Very high116 Ų11632.5 Ų32.554%0.54215%0.151SC..Hα-helixtrans-58-42.7176.3-63.387.2151.600111.5V130 K136 T176V130-E132 VanDerWaalsContact C-N 3.27Å; V130-E132 HydrophobicContact CG1-CB 4.26Å; V130-E132 WeakPolarHBondContact CG1-OE2 3.14Å; V130-E132 PolarHBondContact O-N 3.24Å; E132-K136 PolarHBondContact O-N 3.28Å; E132-K136 VanDerWaalsContact O-N 3.17Å; E132-T176 HydrophobicContact CG-CG2 3.85Å
133R98.8Very high98.7Very high104 Ų10432.3 Ų32.339%0.39215%0.153SC..Hα-helixtrans-67.1-45.3177-170.3-171.7-57.1142.36.2110.6E91 V130 Q131 T135 K136 Q137E91-R133 IonicContact OE1-CZ 3.6Å; E91-R133 IonicContact OE1-NH1 2.84Å; E91-R133 PolarHBondContact OE1-NH1 3.45Å; E91-R133 IonicContact OE1-NH2 3.62Å; E91-R133 PolarHBondContact OE1-NH2 3.39Å; E91-R133 IonicContact OE2-CZ 3.98Å; E91-R133 IonicContact OE2-NH1 3.4Å; E91-R133 PolarHBondContact OE2-NH1 2.89Å; E91-R133 IonicContact OE2-NH2 3.57Å; V130-R133 HydrophobicContact CB-CB 4.3Å; V130-R133 WeakPolarHBondContact O-CB 3.32Å; V130-R133 PolarHBondContact O-N 3.47Å; Q131-R133 VanDerWaalsContact C-N 3.3Å; Q131-R133 PolarHBondContact O-N 2.97Å; R133-T135 PolarHBondContact O-N 2.87Å; R133-K136 PolarHBondContact O-N 3.18Å; R133-Q137 HydrophobicContact CG-CG 4.41Å; R133-Q137 WeakPolarHBondContact O-CB 3.44Å; R133-Q137 WeakPolarHBondContact O-CG 3.32Å; R133-Q137 PolarHBondContact O-N 2.96Å
134L98.9Very high98.6Very high0 Ų037.8 Ų37.80%018%0.179CC..Hα-helixtrans-57.3-48.6177.2175.758.6000111.3F97 Y124 Q129 V130 Q131 K136 Q137 I138 I155F97-L134 HydrophobicContact CE2-CD2 4.09Å; F97-L134 HydrophobicContact CZ-CD2 4.12Å; Y124-L134 VanDerWaalsContact C-CD1 3.49Å; Y124-L134 VanDerWaalsContact CB-CD1 3.43Å; Q129-L134 HydrophobicContact CG-CB 4.38Å; V130-L134 PolarHBondContact O-N 3.46Å; Q131-L134 WeakPolarHBondContact O-CB 3.25Å; Q131-L134 PolarHBondContact O-N 2.69Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.15Å; L134-Q137 PolarHBondContact O-N 3.11Å; L134-I138 HydrophobicContact CD1-CD1 3.75Å; L134-I138 HydrophobicContact CD1-CG1 4.23Å; L134-I138 HydrophobicContact CG-CD1 4Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 2.82Å; L134-I138 VanDerWaalsContact O-N 3.07Å; L134-I155 HydrophobicContact CB-CD1 4.5Å; L134-I155 HydrophobicContact CD2-CD1 4.09Å; L134-I155 HydrophobicContact CG-CD1 3.85Å
135T98.9Very high98.4Very high2 Ų237.5 Ų37.51%0.01218%0.181CC..Hα-helixtrans-57.8-45.1177.5-51.80000111.8Q131 R133 A139 V153 I155 T176 C178Q131-T135 PolarHBondContact O-N 3.07Å; Q131-T135 PolarHBondContact O-OG1 3.17Å; R133-T135 PolarHBondContact O-N 2.87Å; T135-A139 PolarHBondContact O-N 2.73Å; T135-V153 HydrophobicContact CG2-CB 4.14Å; T135-V153 HydrophobicContact CG2-CG1 4.02Å; T135-V153 WeakPolarHBondContact CG2-O 3.27Å; T135-I155 HydrophobicContact CG2-CG1 4.27Å; T135-I155 VanDerWaalsContact OG1-CD1 3.32Å; T135-I155 WeakPolarHBondContact OG1-CD1 3.24Å; T135-I155 WeakPolarHBondContact OG1-CG1 3.12Å; T135-T176 WeakPolarHBondContact OG1-CB 3.43Å; T135-T176 PolarHBondContact OG1-OG1 3.42Å; T135-C178 HydrophobicContact CG2-CB 3.82Å
136K98.9Very high98.3Very high134 Ų13437.7 Ų37.758%0.58318%0.182SC*.Hα-helixtrans-66.6-40.2178.2-174.5177.1179.4-178.90112.5E132 R133 L134 A139 S140E132-K136 PolarHBondContact O-N 3.28Å; E132-K136 VanDerWaalsContact O-N 3.17Å; R133-K136 PolarHBondContact O-N 3.18Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.15Å; K136-A139 PolarHBondContact O-N 3.22Å; K136-S140 WeakPolarHBondContact O-CB 3.24Å; K136-S140 PolarHBondContact O-N 3.21Å; K136-S140 PolarHBondContact O-OG 3.06Å
137Q98.8Very high98.2Very high52 Ų5242.2 Ų42.224%0.24320%0.204CC..Hα-helixtrans-62.6-44.7179.5-79.9178.4-28.600111.9Y124 R133 L134 S140 A141Y124-Q137 HydrophobicContact CD1-CB 3.68Å; Y124-Q137 HydrophobicContact CD1-CG 4.15Å; Y124-Q137 HydrophobicContact CD2-CB 4.35Å; Y124-Q137 HydrophobicContact CE1-CB 3.83Å; Y124-Q137 HydrophobicContact CE1-CG 4.16Å; Y124-Q137 HydrophobicContact CE2-CB 4.48Å; Y124-Q137 HydrophobicContact CG-CB 3.96Å; R133-Q137 HydrophobicContact CG-CG 4.41Å; R133-Q137 WeakPolarHBondContact O-CB 3.44Å; R133-Q137 WeakPolarHBondContact O-CG 3.32Å; R133-Q137 PolarHBondContact O-N 2.96Å; L134-Q137 PolarHBondContact O-N 3.11Å; Q137-S140 PolarHBondContact O-N 2.89Å; Q137-A141 WeakPolarHBondContact O-CB 3.34Å; Q137-A141 PolarHBondContact O-N 3.34Å
138I98.9Very high98.1Very high0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-62.5-48.7177.1-65.4160.8000110.3V101 I103 I120 V121 Y124 L134 S140 A141 I142 V153 I155V101-I138 HydrophobicContact CG1-CD1 4.44Å; I103-I138 HydrophobicContact CD1-CG2 3.95Å; I103-I138 HydrophobicContact CG1-CG2 4.34Å; I120-I138 HydrophobicContact CG2-CG2 4.43Å; V121-I138 HydrophobicContact CB-CD1 4.49Å; V121-I138 HydrophobicContact CG1-CD1 4.45Å; V121-I138 HydrophobicContact CG2-CD1 4.13Å; V121-I138 HydrophobicContact CG2-CG2 4.24Å; Y124-I138 HydrophobicContact CD2-CG1 4.11Å; L134-I138 HydrophobicContact CD1-CD1 3.75Å; L134-I138 HydrophobicContact CD1-CG1 4.23Å; L134-I138 HydrophobicContact CG-CD1 4Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 2.82Å; L134-I138 VanDerWaalsContact O-N 3.07Å; I138-S140 VanDerWaalsContact C-N 3.33Å; I138-S140 PolarHBondContact O-N 3.47Å; I138-A141 PolarHBondContact O-N 3.33Å; I138-I142 HydrophobicContact CG2-CD1 4.08Å; I138-I142 WeakPolarHBondContact O-CG1 3.43Å; I138-I142 PolarHBondContact O-N 3.01Å; I138-I142 VanDerWaalsContact O-N 3.08Å; I138-V153 HydrophobicContact CB-CG1 4.29Å; I138-V153 HydrophobicContact CB-CG2 4.49Å; I138-V153 HydrophobicContact CG2-CG1 4.06Å; I138-V153 HydrophobicContact CG2-CG2 3.97Å; I138-I155 HydrophobicContact CD1-CD1 3.99Å
139A98.9Very high98.1Very high0 Ų042.9 Ų42.90%021%0.214CC..Hα-helixtrans-58.9-45178.300000112T135 K136 A141 I142 V143 V153 C178 L180T135-A139 PolarHBondContact O-N 2.73Å; K136-A139 PolarHBondContact O-N 3.22Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 3.49Å; A139-I142 PolarHBondContact O-N 3.48Å; A139-V143 WeakPolarHBondContact O-CG2 3.25Å; A139-V143 PolarHBondContact O-N 3Å; A139-V143 VanDerWaalsContact O-N 3.09Å; A139-V153 HydrophobicContact CB-CB 4.25Å; A139-V153 HydrophobicContact CB-CG2 3.68Å; A139-C178 HydrophobicContact CB-CB 3.91Å; A139-L180 HydrophobicContact CB-CD1 3.92Å
140S98.7Very high98.1Very high50 Ų5042.8 Ų42.835%0.3521%0.213SC..Hα-helixtrans-65.8-36.7179.7-53.50000112.1K136 Q137 I138 V143 Q144K136-S140 WeakPolarHBondContact O-CB 3.24Å; K136-S140 PolarHBondContact O-N 3.21Å; K136-S140 PolarHBondContact O-OG 3.06Å; Q137-S140 PolarHBondContact O-N 2.89Å; I138-S140 VanDerWaalsContact C-N 3.33Å; I138-S140 PolarHBondContact O-N 3.47Å; S140-V143 PolarHBondContact O-N 3.4Å; S140-Q144 WeakPolarHBondContact O-CB 3.38Å; S140-Q144 PolarHBondContact O-N 3.09Å
141A98.5Very high98.1Very high1 Ų141.2 Ų41.21%0.00820%0.204CC..Hα-helixtrans-64.6-41.6175.800000111.8L62 I120 Y124 Q137 I138 A139 V143 Q144 C145L62-A141 HydrophobicContact CD1-CB 4.07Å; L62-A141 HydrophobicContact CD2-CB 3.78Å; I120-A141 HydrophobicContact CG2-CB 3.96Å; Y124-A141 HydrophobicContact CE2-CB 3.58Å; Q137-A141 WeakPolarHBondContact O-CB 3.34Å; Q137-A141 PolarHBondContact O-N 3.34Å; I138-A141 PolarHBondContact O-N 3.33Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 3.49Å; A141-V143 VanDerWaalsContact C-N 3.33Å; A141-V143 PolarHBondContact O-N 3.4Å; A141-Q144 WeakPolarHBondContact O-CB 3.21Å; A141-Q144 PolarHBondContact O-N 3.49Å; A141-C145 PolarHBondContact O-N 3.01Å; A141-C145 PolarHBondContact O-SG 3.33Å
142I98.3Very high98.1Very high2 Ų241.2 Ų41.21%0.0120%0.204CC..Hα-helixtrans-62.9-42.4175.8-62.5160000110.5I103 L117 I138 A139 Q144 C145 L146 V151 V153I103-I142 HydrophobicContact CB-CD1 4.44Å; I103-I142 HydrophobicContact CD1-CD1 4.13Å; I103-I142 HydrophobicContact CG1-CD1 4.26Å; I103-I142 HydrophobicContact CG2-CD1 3.37Å; L117-I142 HydrophobicContact CD2-CD1 4.32Å; L117-I142 HydrophobicContact CD2-CG1 4.13Å; I138-I142 HydrophobicContact CG2-CD1 4.08Å; I138-I142 WeakPolarHBondContact O-CG1 3.43Å; I138-I142 PolarHBondContact O-N 3.01Å; I138-I142 VanDerWaalsContact O-N 3.08Å; A139-I142 PolarHBondContact O-N 3.48Å; I142-Q144 PolarHBondContact O-N 3.33Å; I142-C145 PolarHBondContact O-N 3.04Å; I142-L146 HydrophobicContact CG2-CD1 4.17Å; I142-L146 WeakPolarHBondContact O-CB 3.43Å; I142-L146 PolarHBondContact O-N 3.45Å; I142-V151 HydrophobicContact CB-CG2 4.03Å; I142-V151 HydrophobicContact CD1-CG2 3.88Å; I142-V151 HydrophobicContact CG2-CB 4.42Å; I142-V151 HydrophobicContact CG2-CG2 3.79Å; I142-V153 HydrophobicContact CD1-CG2 4.05Å
143V98.2Very high98.1Very high44 Ų4435.7 Ų35.727%0.26718%0.178SC..Hα-helixtrans-58.4-49.4173.4175.20000110.9A139 S140 A141 C145 Q147 V151 L180A139-V143 WeakPolarHBondContact O-CG2 3.25Å; A139-V143 PolarHBondContact O-N 3Å; A139-V143 VanDerWaalsContact O-N 3.09Å; S140-V143 PolarHBondContact O-N 3.4Å; A141-V143 VanDerWaalsContact C-N 3.33Å; A141-V143 PolarHBondContact O-N 3.4Å; V143-C145 VanDerWaalsContact C-N 3.26Å; V143-C145 PolarHBondContact O-N 3.29Å; V143-Q147 WeakPolarHBondContact O-CA 3.15Å; V143-Q147 PolarHBondContact O-N 2.89Å; V143-Q147 PolarHBondContact O-NE2 2.93Å; V143-V151 HydrophobicContact CG2-CG1 3.51Å; V143-L180 HydrophobicContact CG2-CB 4.36Å; V143-L180 HydrophobicContact CG2-CD1 3.69Å
144Q96.8Very high98.1Very high117 Ų11731.5 Ų31.555%0.54716%0.164SC..Hα-helixtrans-56.6-41.6-179.7-178.5178.9-21.700111.9L62 S140 A141 I142L62-Q144 HydrophobicContact CD2-CB 4.47Å; L62-Q144 HydrophobicContact CD2-CG 4.42Å; S140-Q144 WeakPolarHBondContact O-CB 3.38Å; S140-Q144 PolarHBondContact O-N 3.09Å; A141-Q144 WeakPolarHBondContact O-CB 3.21Å; A141-Q144 PolarHBondContact O-N 3.49Å; I142-Q144 PolarHBondContact O-N 3.33Å
145C94.8Very high98.1Very high23 Ų2331.5 Ų31.516%0.15516%0.164CC..Hα-helixtrans-79.6-41.9-175.9-60.20000113.6V66 I70 A141 I142 V143V66-C145 HydrophobicContact CG2-CB 4.42Å; V66-C145 VanDerWaalsContact CG2-SG 3.59Å; I70-C145 HydrophobicContact CD1-CB 4.4Å; I70-C145 VanDerWaalsContact CD1-O 3.3Å; I70-C145 WeakPolarHBondContact CD1-O 3.33Å; A141-C145 PolarHBondContact O-N 3.01Å; A141-C145 PolarHBondContact O-SG 3.33Å; I142-C145 PolarHBondContact O-N 3.04Å; V143-C145 VanDerWaalsContact C-N 3.26Å; V143-C145 PolarHBondContact O-N 3.29Å
146L95.8Very high98.1Very high4 Ų435.9 Ų35.92%0.02119%0.185CC..Hα-helixtrans-108.8-21.8-167.7-68.5-177.5000114.5I70 Y105 K110 I112 I142 P148I70-L146 HydrophobicContact CG1-CD2 4.2Å; I70-L146 HydrophobicContact CG2-CD2 4.11Å; Y105-L146 HydrophobicContact CD2-CD1 3.92Å; Y105-L146 HydrophobicContact CE1-CD1 4.39Å; Y105-L146 HydrophobicContact CE2-CD1 3.6Å; Y105-L146 HydrophobicContact CG-CD1 4.44Å; K110-L146 HydrophobicContact CB-CD2 4.23Å; I112-L146 HydrophobicContact CB-CD1 4.04Å; I112-L146 HydrophobicContact CB-CD2 4Å; I112-L146 HydrophobicContact CB-CG 4.36Å; I112-L146 HydrophobicContact CG2-CD1 3.92Å; I142-L146 HydrophobicContact CG2-CD1 4.17Å; I142-L146 WeakPolarHBondContact O-CB 3.43Å; I142-L146 PolarHBondContact O-N 3.45Å; L146-P148 VanDerWaalsContact C-N 3.28Å
147Q96.1Very high98Very high121 Ų12129.6 Ų29.657%0.56516%0.158SC*.  trans44.851.9-168.1-59.9-66-4200112N108 V143N108-Q147 WeakPolarHBondContact CB-O 3.25Å; V143-Q147 WeakPolarHBondContact O-CA 3.15Å; V143-Q147 PolarHBondContact O-N 2.89Å; V143-Q147 PolarHBondContact O-NE2 2.93Å
148P97.6Very high98Very high18 Ų1828.4 Ų28.412%0.11716%0.155CC..  trans-69162.4-176.133.9-34.8000110.4Y105 I106 L146 G150 V151Y105-P148 HydrophobicContact CD2-CB 4.28Å; I106-P148 CarbonylContact O-C 3.58Å; I106-P148 WeakPolarHBondContact O-CA 3.43Å; I106-P148 WeakPolarHBondContact O-CB 3.2Å; L146-P148 VanDerWaalsContact C-N 3.28Å; P148-G150 PolarHBondContact O-N 2.85Å; P148-V151 HydrophobicContact CG-CB 4.21Å
149V97.8Very high98Very high75 Ų7529.5 Ų29.546%0.45516%0.16SC..SBendtrans-61.7-37.2172.4-179.30000110.5I106 N108 G181 S182I106-V149 HydrophobicContact CB-CB 4.21Å; I106-V149 HydrophobicContact CG2-CB 3.94Å; I106-V149 HydrophobicContact CG2-CG2 4.23Å; I106-V149 PolarHBondContact O-N 2.81Å; N108-V149 HydrophobicContact CB-CG2 4.15Å; V149-G181 WeakPolarHBondContact O-CA 3.49Å; V149-S182 PolarHBondContact O-N 3.27Å
150G98.3Very high98Very high1 Ų131.2 Ų31.21%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-156.5156.1174.100000112.2Y105 I106 P148 L180 S182Y105-G150 CarbonylContact C-O 3.41Å; Y105-G150 VanDerWaalsContact CA-O 3.22Å; Y105-G150 WeakPolarHBondContact CA-O 3.07Å; Y105-G150 WeakPolarHBondContact CB-O 3.17Å; I106-G150 PolarHBondContact N-O 3.43Å; P148-G150 PolarHBondContact O-N 2.85Å; G150-L180 WeakPolarHBondContact CA-O 3.4Å; G150-S182 WeakPolarHBondContact CA-OG 3.25Å
151V98.7Very high97.9Very high1 Ų129.7 Ų29.71%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-141.7142.817462.30000110.9G104 I142 V143 P148 V153 M179 L180G104-V151 CarbonylContact O-C 3.59Å; G104-V151 WeakPolarHBondContact O-CA 3.4Å; G104-V151 WeakPolarHBondContact O-CG2 3.45Å; I142-V151 HydrophobicContact CB-CG2 4.03Å; I142-V151 HydrophobicContact CD1-CG2 3.88Å; I142-V151 HydrophobicContact CG2-CB 4.42Å; I142-V151 HydrophobicContact CG2-CG2 3.79Å; V143-V151 HydrophobicContact CG2-CG1 3.51Å; P148-V151 HydrophobicContact CG-CB 4.21Å; V151-V153 HydrophobicContact CG2-CG2 4.43Å; V151-M179 WeakPolarHBondContact O-CA 3.45Å; V151-L180 HydrophobicContact CG1-CB 3.71Å; V151-L180 HydrophobicContact CG1-CD1 3.98Å; V151-L180 HydrophobicContact CG1-CG 4.22Å; V151-L180 PolarHBondContact N-O 2.97Å; V151-L180 PolarHBondContact O-N 3.47Å
152G98.8Very high97.8Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-129.1133.1173.200000110.5I103 G104 C178 M179 F193I103-G152 WeakPolarHBondContact CA-O 3.5Å; G104-G152 PolarHBondContact N-O 3.2Å; G104-G152 PolarHBondContact O-N 2.96Å; G152-C178 WeakPolarHBondContact CA-O 3.46Å; G152-M179 VanDerWaalsContact CA-SD 3.54Å; G152-F193 WeakPolarHBondContact O-CZ 3.35Å
153V98.9Very high97.8Very high0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-125.2129.4169.6-177.10000108.1V101 S102 I103 T135 I138 A139 I142 V151 I155 S177 C178V101-V153 HydrophobicContact CG1-CG1 3.78Å; S102-V153 CarbonylContact O-C 3.54Å; S102-V153 WeakPolarHBondContact O-CA 3.25Å; I103-V153 HydrophobicContact CG1-CG1 4.48Å; I103-V153 HydrophobicContact CG1-CG2 4.3Å; T135-V153 HydrophobicContact CG2-CB 4.14Å; T135-V153 HydrophobicContact CG2-CG1 4.02Å; T135-V153 WeakPolarHBondContact CG2-O 3.27Å; I138-V153 HydrophobicContact CB-CG1 4.29Å; I138-V153 HydrophobicContact CB-CG2 4.49Å; I138-V153 HydrophobicContact CG2-CG1 4.06Å; I138-V153 HydrophobicContact CG2-CG2 3.97Å; A139-V153 HydrophobicContact CB-CB 4.25Å; A139-V153 HydrophobicContact CB-CG2 3.68Å; I142-V153 HydrophobicContact CD1-CG2 4.05Å; V151-V153 HydrophobicContact CG2-CG2 4.43Å; V153-I155 HydrophobicContact CG1-CG1 4.25Å; V153-S177 CarbonylContact O-C 3.59Å; V153-S177 WeakPolarHBondContact O-CA 3.36Å; V153-C178 PolarHBondContact N-O 3.01Å; V153-C178 PolarHBondContact O-N 3.32Å
154V98.9Very high97.7Very high17 Ų1739.1 Ų39.110%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-122.1131.5172.5-179.60000108.1V101 S102 T175 T176 M179 F193 L194 I197V101-V154 WeakPolarHBondContact CA-O 3.47Å; S102-V154 PolarHBondContact N-O 3.43Å; S102-V154 PolarHBondContact O-N 2.94Å; V154-T175 HydrophobicContact CG1-CG2 3.87Å; V154-T176 WeakPolarHBondContact CA-O 3.37Å; V154-M179 HydrophobicContact CG2-CE 4.19Å; V154-F193 HydrophobicContact CG2-CE1 3.82Å; V154-F193 HydrophobicContact CG2-CZ 4.14Å; V154-L194 HydrophobicContact CG2-CD2 4.01Å; V154-I197 HydrophobicContact CB-CD1 3.86Å; V154-I197 HydrophobicContact CG1-CD1 4.22Å; V154-I197 HydrophobicContact CG2-CD1 3.65Å
155I98.8Very high97.6Very high0 Ų039.5 Ų39.50%020%0.2CC..EExtended strand (participates in β ladder)trans-121.2127.9174.2-57.3-169.6000107.9M86 H100 V101 Q131 L134 T135 I138 V153 A157 T175 T176M86-I155 HydrophobicContact CE-CG2 3.35Å; H100-I155 WeakPolarHBondContact O-CA 3.05Å; V101-I155 HydrophobicContact CB-CG1 4.39Å; V101-I155 HydrophobicContact CG1-CD1 4.5Å; V101-I155 HydrophobicContact CG1-CG1 4.04Å; V101-I155 HydrophobicContact CG2-CD1 3.99Å; V101-I155 HydrophobicContact CG2-CG1 3.9Å; V101-I155 HydrophobicContact CG2-CG2 4.43Å; Q131-I155 HydrophobicContact CG-CB 4.4Å; Q131-I155 HydrophobicContact CG-CG2 3.99Å; Q131-I155 PolarHBondContact NE2-O 2.96Å; L134-I155 HydrophobicContact CB-CD1 4.5Å; L134-I155 HydrophobicContact CD2-CD1 4.09Å; L134-I155 HydrophobicContact CG-CD1 3.85Å; T135-I155 HydrophobicContact CG2-CG1 4.27Å; T135-I155 VanDerWaalsContact OG1-CD1 3.32Å; T135-I155 WeakPolarHBondContact OG1-CD1 3.24Å; T135-I155 WeakPolarHBondContact OG1-CG1 3.12Å; I138-I155 HydrophobicContact CD1-CD1 3.99Å; V153-I155 HydrophobicContact CG1-CG1 4.25Å; I155-A157 HydrophobicContact CG2-CB 4.43Å; I155-T175 CarbonylContact O-C 3.54Å; I155-T175 VanDerWaalsContact O-CA 3.26Å; I155-T175 WeakPolarHBondContact O-CA 3.12Å; I155-T176 PolarHBondContact N-O 2.9Å; I155-T176 PolarHBondContact O-N 3.3Å
156E98.7Very high97.6Very high94 Ų9441.2 Ų41.244%0.43922%0.221SC..EExtended strand (participates in β ladder)trans-115.8126.1165.7-176.9175.7-176.200108.9G99 H100 T173 T174G99-E156 CarbonylContact C-O 3.53Å; G99-E156 WeakPolarHBondContact CA-O 3.09Å; H100-E156 PolarHBondContact N-O 3.35Å; H100-E156 PolarHBondContact O-N 2.8Å; E156-T173 WeakPolarHBondContact OE1-CB 3.49Å; E156-T173 PolarHBondContact OE1-OG1 2.92Å; E156-T174 WeakPolarHBondContact CA-O 3.26Å
157A98.8Very high97.7Very high2 Ų245.3 Ų45.32%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-143.5152.3-176.400000113.8M86 F97 L98 I155 T173 T174M86-A157 HydrophobicContact CE-CB 3.51Å; F97-A157 HydrophobicContact CD2-CB 3.97Å; L98-A157 CarbonylContact O-C 2.95Å; L98-A157 VanDerWaalsContact O-CA 3.28Å; L98-A157 WeakPolarHBondContact O-CA 3.35Å; L98-A157 WeakPolarHBondContact O-CB 3.38Å; I155-A157 HydrophobicContact CG2-CB 4.43Å; A157-T173 CarbonylContact O-C 3.55Å; A157-T173 WeakPolarHBondContact O-CA 3.36Å; A157-T174 PolarHBondContact N-O 3.43Å; A157-T174 PolarHBondContact O-N 3.3Å
158S98.6Very high97.7Very high26 Ų2645.9 Ų45.918%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-99.9130.4168.1-1720000110.1F97 L98 M160 V163F97-S158 VanDerWaalsContact CA-O 3.25Å; F97-S158 WeakPolarHBondContact CA-O 3.21Å; F97-S158 WeakPolarHBondContact CB-O 3.4Å; L98-S158 PolarHBondContact N-O 3.27Å; L98-S158 VanDerWaalsContact N-O 3.09Å; L98-S158 PolarHBondContact O-N 3.02Å; S158-M160 WeakPolarHBondContact OG-CE 3.13Å; S158-V163 WeakPolarHBondContact OG-CG2 2.84Å
159H98.6Very high97.7Very high24 Ų2450.8 Ų50.811%0.11127%0.269CS..EExtended strand (participates in β ladder)trans-102.2112.6-174.8-74.1-103.2000110.8F97 Q131 C161 M162 V163F97-H159 HydrophobicContact CB-CB 4.25Å; F97-H159 AromaticContact CD2-CE1 3.82Å; F97-H159 AromaticContact CG-CE1 3.66Å; F97-H159 AromaticContact CG-ND1 3.75Å; Q131-H159 PolarHBondContact OE1-NE2 2.85Å; H159-C161 PolarHBondContact O-N 3.44Å; H159-C161 VanDerWaalsContact O-N 3.09Å; H159-M162 HydrophobicContact CB-CB 4.48Å; H159-M162 HydrophobicContact CB-CG 4.47Å; H159-M162 WeakPolarHBondContact O-CA 3.29Å; H159-M162 PolarHBondContact O-N 3.23Å; H159-V163 WeakPolarHBondContact O-CG2 3.21Å; H159-V163 PolarHBondContact O-N 3.47Å
160M98.1Very high97.5Very high35 Ų3550.8 Ų50.817%0.17228%0.276CS..Hα-helixtrans-66.1-17.4-178.7-62.6-62.2112.700112.6V95 P96 L98 S158 M162 V163 M164V95-M160 VanDerWaalsContact CG1-C 3.41Å; V95-M160 HydrophobicContact CG1-CB 3.43Å; V95-M160 VanDerWaalsContact CG1-CB 3.43Å; P96-M160 WeakPolarHBondContact O-CB 3.37Å; P96-M160 WeakPolarHBondContact O-CG 3.33Å; P96-M160 PolarHBondContact O-N 2.81Å; L98-M160 HydrophobicContact CD2-CE 3.81Å; L98-M160 HydrophobicContact CD2-CG 4.42Å; S158-M160 WeakPolarHBondContact OG-CE 3.13Å; M160-M162 VanDerWaalsContact C-N 3.26Å; M160-M162 PolarHBondContact O-N 2.96Å; M160-V163 HydrophobicContact CE-CB 3.94Å; M160-V163 HydrophobicContact CE-CG1 4.13Å; M160-V163 HydrophobicContact CE-CG2 3.84Å; M160-V163 PolarHBondContact O-N 2.87Å; M160-V163 HydrophobicContact SD-CB 4Å; M160-V163 HydrophobicContact SD-CG1 4.02Å; M160-M164 HydrophobicContact CB-CG 4.09Å; M160-M164 HydrophobicContact CB-SD 3.81Å; M160-M164 HydrophobicContact CG-CG 4.46Å; M160-M164 HydrophobicContact CG-SD 3.96Å; M160-M164 WeakPolarHBondContact O-CB 3.46Å; M160-M164 PolarHBondContact O-N 3.46Å; M160-M164 HydrophobicContact SD-CG 3.82Å; M160-M164 HydrophobicContact SD-SD 3.76Å
161C96.9Very high97.4Very high19 Ų1956.5 Ų56.513%0.12832%0.316CS..Hα-helixtrans-69-23.2170.365.50000113.5H93 V95 H159 R165H93-C161 HydrophobicContact CB-CB 4.22Å; H93-C161 VanDerWaalsContact ND1-CB 3.32Å; H93-C161 WeakPolarHBondContact ND1-CB 3.44Å; V95-C161 HydrophobicContact CB-CB 4.34Å; V95-C161 HydrophobicContact CG1-CB 4.26Å; H159-C161 PolarHBondContact O-N 3.44Å; H159-C161 VanDerWaalsContact O-N 3.09Å; C161-R165 WeakPolarHBondContact O-CG 3.38Å
162M97.2Very high97.3Very high72 Ų7258.2 Ų58.236%0.35533%0.33SS..Hα-helixtrans-96.7-28.4171.5-69.1-18063.700112.4H159 M160 V167 Q168 K169H159-M162 HydrophobicContact CB-CB 4.48Å; H159-M162 HydrophobicContact CB-CG 4.47Å; H159-M162 WeakPolarHBondContact O-CA 3.29Å; H159-M162 PolarHBondContact O-N 3.23Å; M160-M162 VanDerWaalsContact C-N 3.26Å; M160-M162 PolarHBondContact O-N 2.96Å; M162-V167 HydrophobicContact CB-CG2 4.2Å; M162-V167 HydrophobicContact CE-CG2 4.33Å; M162-V167 HydrophobicContact CG-CG2 4.35Å; M162-Q168 CarbonylContact O-C 3.49Å; M162-Q168 WeakPolarHBondContact O-CA 3.44Å; M162-Q168 PolarHBondContact O-N 3.41Å; M162-K169 PolarHBondContact O-N 3.22Å
163V97.6Very high97.2Very high31 Ų3161.8 Ų61.819%0.18835%0.352CS..Hα-helixtrans-82.7-49.3-177.4172.90000111.8S158 H159 M160 A170S158-V163 WeakPolarHBondContact OG-CG2 2.84Å; H159-V163 WeakPolarHBondContact O-CG2 3.21Å; H159-V163 PolarHBondContact O-N 3.47Å; M160-V163 HydrophobicContact CE-CB 3.94Å; M160-V163 HydrophobicContact CE-CG1 4.13Å; M160-V163 HydrophobicContact CE-CG2 3.84Å; M160-V163 PolarHBondContact O-N 2.87Å; M160-V163 HydrophobicContact SD-CB 4Å; M160-V163 HydrophobicContact SD-CG1 4.02Å; V163-A170 HydrophobicContact CG1-CB 4.43Å
164M95.9Very high97.2Very high142 Ų14264 Ų6470%0.737%0.366SS*.SBendtrans-96.5-11.1-170.4-60.9178.565.600113.6M160M160-M164 HydrophobicContact CB-CG 4.09Å; M160-M164 HydrophobicContact CB-SD 3.81Å; M160-M164 HydrophobicContact CG-CG 4.46Å; M160-M164 HydrophobicContact CG-SD 3.96Å; M160-M164 WeakPolarHBondContact O-CB 3.46Å; M160-M164 PolarHBondContact O-N 3.46Å; M160-M164 HydrophobicContact SD-CG 3.82Å; M160-M164 HydrophobicContact SD-SD 3.76Å
165R95.7Very high97.2Very high124 Ų12467.3 Ų67.347%0.46839%0.386SS..SBendtrans-148168.4178.566.8171.4-69.4-158.4-3.7112.1H93 C161 V167 Q168H93-R165 PolarHBondContact CD2-NH1 3.25Å; C161-R165 WeakPolarHBondContact O-CG 3.38Å; R165-V167 PolarHBondContact O-N 3.13Å; R165-Q168 PolarHBondContact O-N 3.15Å
166G94.6Very high97.2Very high59 Ų5968.1 Ų68.161%0.60839%0.391SS*.THydrogen-bonded Turntrans64.4-117178.400000111.5Q168G166-Q168 VanDerWaalsContact C-N 3.27Å; G166-Q168 PolarHBondContact O-N 3.09Å; G166-Q168 PolarHBondContact O-NE2 3.22Å
167V96.5Very high97.2Very high90 Ų9067.3 Ų67.355%0.54540%0.396SS..THydrogen-bonded Turntrans-70.3-17.7-174.7-64.10000114.7M162 R165 K169M162-V167 HydrophobicContact CB-CG2 4.2Å; M162-V167 HydrophobicContact CE-CG2 4.33Å; M162-V167 HydrophobicContact CG-CG2 4.35Å; R165-V167 PolarHBondContact O-N 3.13Å; V167-K169 HydrophobicContact CB-CG 4.24Å; V167-K169 HydrophobicContact CG2-CG 4.02Å; V167-K169 WeakPolarHBondContact O-CD 3.32Å; V167-K169 WeakPolarHBondContact O-CE 3.4Å; V167-K169 PolarHBondContact O-N 3.06Å; V167-K169 PolarHBondContact O-NZ 3.27Å
168Q95.9Very high97.2Very high133 Ų13367.9 Ų67.962%0.62140%0.4SS*.  trans52.554.5171.9-66.2168.76600114M162 R165 G166M162-Q168 CarbonylContact O-C 3.49Å; M162-Q168 WeakPolarHBondContact O-CA 3.44Å; M162-Q168 PolarHBondContact O-N 3.41Å; R165-Q168 PolarHBondContact O-N 3.15Å; G166-Q168 VanDerWaalsContact C-N 3.27Å; G166-Q168 PolarHBondContact O-N 3.09Å; G166-Q168 PolarHBondContact O-NE2 3.22Å
169K97.8Very high97.2Very high122 Ų12267.6 Ų67.653%0.5340%0.396SS..  trans-100.986-179.6-56.3-51.4176.5-159.40110.8M162 V167 S171 A172M162-K169 PolarHBondContact O-N 3.22Å; V167-K169 HydrophobicContact CB-CG 4.24Å; V167-K169 HydrophobicContact CG2-CG 4.02Å; V167-K169 WeakPolarHBondContact O-CD 3.32Å; V167-K169 WeakPolarHBondContact O-CE 3.4Å; V167-K169 PolarHBondContact O-N 3.06Å; V167-K169 PolarHBondContact O-NZ 3.27Å; K169-S171 VanDerWaalsContact C-N 3.27Å; K169-S171 PolarHBondContact O-N 2.96Å; K169-A172 HydrophobicContact CB-CB 3.84Å; K169-A172 WeakPolarHBondContact O-CB 3.27Å; K169-A172 PolarHBondContact O-N 3.41Å
170A94.1Very high97.2Very high75 Ų7568.3 Ų68.362%0.6240%0.4SS*.THydrogen-bonded Turntrans-60.3-31.3-174.200000114.7V163V163-A170 HydrophobicContact CG1-CB 4.43Å
171S96Very high97.1Very high121 Ų12168 Ų6885%0.84641%0.406SS*.THydrogen-bonded Turntrans-90.7-2.8-179-49.50000114.1K169K169-S171 VanDerWaalsContact C-N 3.27Å; K169-S171 PolarHBondContact O-N 2.96Å
172A96.3Very high97.2Very high37 Ų3767.9 Ų67.931%0.30641%0.405SS..  trans-77.5130.2-17600000111.2K169K169-A172 HydrophobicContact CB-CB 3.84Å; K169-A172 WeakPolarHBondContact O-CB 3.27Å; K169-A172 PolarHBondContact O-N 3.41Å
173T97.6Very high97.2Very high75 Ų7564.4 Ų64.446%0.4639%0.388SS..  trans-118154167.163.90000109.6E156 A157E156-T173 WeakPolarHBondContact OE1-CB 3.49Å; E156-T173 PolarHBondContact OE1-OG1 2.92Å; A157-T173 CarbonylContact O-C 3.55Å; A157-T173 WeakPolarHBondContact O-CA 3.36Å
174T98.4Very high97.1Very high47 Ų4770.1 Ų70.129%0.28841%0.406SS..EExtended strand (participates in β ladder)trans-117.2126.6175.2-62.30000108.5Q131 E156 A157 T176Q131-T174 PolarHBondContact NE2-O 2.96Å; E156-T174 WeakPolarHBondContact CA-O 3.26Å; A157-T174 PolarHBondContact N-O 3.43Å; A157-T174 PolarHBondContact O-N 3.3Å; T174-T176 HydrophobicContact CG2-CG2 4.37Å
175T98.6Very high97.2Very high86 Ų8671.1 Ų71.153%0.52841%0.409SS..EExtended strand (participates in β ladder)trans-107.2130.5174.1-610000110V154 I155V154-T175 HydrophobicContact CG1-CG2 3.87Å; I155-T175 CarbonylContact O-C 3.54Å; I155-T175 VanDerWaalsContact O-CA 3.26Å; I155-T175 WeakPolarHBondContact O-CA 3.12Å
176T98.8Very high97.2Very high16 Ų1668.4 Ų68.410%0.09840%0.404CS..EExtended strand (participates in β ladder)trans-126.5148.3173520000109.2Q131 E132 T135 V154 I155 T174Q131-T176 HydrophobicContact CB-CG2 4.34Å; Q131-T176 HydrophobicContact CG-CG2 4.01Å; Q131-T176 WeakPolarHBondContact CG-OG1 3.48Å; Q131-T176 PolarHBondContact NE2-OG1 3.39Å; E132-T176 HydrophobicContact CG-CG2 3.85Å; T135-T176 WeakPolarHBondContact OG1-CB 3.43Å; T135-T176 PolarHBondContact OG1-OG1 3.42Å; V154-T176 WeakPolarHBondContact CA-O 3.37Å; I155-T176 PolarHBondContact N-O 2.9Å; I155-T176 PolarHBondContact O-N 3.3Å; T174-T176 HydrophobicContact CG2-CG2 4.37Å
177S98.6Very high97.2Very high77 Ų7766.8 Ų66.854%0.53839%0.388SS..EExtended strand (participates in β ladder)trans-137.3151175.266.70000111.9V153V153-S177 CarbonylContact O-C 3.59Å; V153-S177 WeakPolarHBondContact O-CA 3.36Å
178C98.8Very high97.2Very high15 Ų1570 Ų7010%0.10139%0.394CS..EExtended strand (participates in β ladder)trans-134.1116170.6-174.40000108.5T135 A139 G152 V153T135-C178 HydrophobicContact CG2-CB 3.82Å; A139-C178 HydrophobicContact CB-CB 3.91Å; G152-C178 WeakPolarHBondContact CA-O 3.46Å; V153-C178 PolarHBondContact N-O 3.01Å; V153-C178 PolarHBondContact O-N 3.32Å
179M98.6Very high97.2Very high20 Ų2064.6 Ų64.610%0.09937%0.371CS..EExtended strand (participates in β ladder)trans-109.2133.1175.1-52.4-52.5-178.800109.4V151 G152 V154 F183 R184 R190 F193 L194V151-M179 WeakPolarHBondContact O-CA 3.45Å; G152-M179 VanDerWaalsContact CA-SD 3.54Å; V154-M179 HydrophobicContact CG2-CE 4.19Å; M179-F183 HydrophobicContact CB-CB 4Å; M179-F183 HydrophobicContact SD-CB 4.35Å; M179-F183 HydrophobicContact SD-CD2 4.09Å; M179-R184 HydrophobicContact CB-CB 4.42Å; M179-R184 VanDerWaalsContact O-CZ 3.29Å; M179-R184 PolarHBondContact O-NE 3.4Å; M179-R184 PolarHBondContact O-NH2 3.42Å; M179-R190 HydrophobicContact CE-CG 4.24Å; M179-R190 HydrophobicContact CG-CG 4.35Å; M179-F193 HydrophobicContact CE-CD1 3.9Å; M179-F193 HydrophobicContact CE-CE1 3.84Å; M179-F193 HydrophobicContact SD-CD1 4.15Å; M179-F193 HydrophobicContact SD-CE1 4.09Å; M179-L194 HydrophobicContact CE-CD1 4.45Å; M179-L194 HydrophobicContact CE-CD2 3.75Å; M179-L194 HydrophobicContact CE-CG 4.17Å
180L98.5Very high97.2Very high38 Ų3863.4 Ų63.420%0.19936%0.363CS..EExtended strand (participates in β ladder)trans-135.3155.9178.6-56.4171.5000110A139 V143 G150 V151 R184A139-L180 HydrophobicContact CB-CD1 3.92Å; V143-L180 HydrophobicContact CG2-CB 4.36Å; V143-L180 HydrophobicContact CG2-CD1 3.69Å; G150-L180 WeakPolarHBondContact CA-O 3.4Å; V151-L180 HydrophobicContact CG1-CB 3.71Å; V151-L180 HydrophobicContact CG1-CD1 3.98Å; V151-L180 HydrophobicContact CG1-CG 4.22Å; V151-L180 PolarHBondContact N-O 2.97Å; V151-L180 PolarHBondContact O-N 3.47Å; L180-R184 VanDerWaalsContact CD2-NH2 3.29Å
181G97.7Very high97.3Very high28 Ų2865.8 Ų65.829%0.28936%0.362SS..EExtended strand (participates in β ladder)trans59.5-139.9-176.700000112.3V149 F183 R184 E185V149-G181 WeakPolarHBondContact O-CA 3.49Å; G181-F183 PolarHBondContact O-N 3.36Å; G181-R184 WeakPolarHBondContact O-CA 3.22Å; G181-R184 WeakPolarHBondContact O-CB 3.24Å; G181-R184 PolarHBondContact O-N 3.26Å; G181-E185 PolarHBondContact O-N 3.14Å
182S97Very high97.4Very high17 Ų1764.5 Ų64.512%0.11934%0.342CS..Hα-helixtrans-55.6-28-177.961.50000114.1V149 G150 R184 E185 D186V149-S182 PolarHBondContact O-N 3.27Å; G150-S182 WeakPolarHBondContact CA-OG 3.25Å; S182-R184 PolarHBondContact O-N 3.37Å; S182-E185 PolarHBondContact O-N 3.02Å; S182-D186 WeakPolarHBondContact O-CA 3.39Å; S182-D186 WeakPolarHBondContact O-CB 3.33Å; S182-D186 PolarHBondContact O-N 3.46Å
183F97.4Very high97.5Very high0 Ų062.7 Ų62.70%033%0.327CS..Hα-helixtrans-70.3-19.6175.5-76.523.1000113.6L78 I106 M179 G181 R190 F193L78-F183 HydrophobicContact CD1-CE1 4.1Å; L78-F183 HydrophobicContact CD1-CE2 4.45Å; L78-F183 HydrophobicContact CD1-CZ 3.45Å; L78-F183 VanDerWaalsContact CD1-CZ 3.45Å; I106-F183 HydrophobicContact CD1-CD1 4.3Å; I106-F183 HydrophobicContact CD1-CE1 3.69Å; I106-F183 HydrophobicContact CG1-CE1 3.82Å; M179-F183 HydrophobicContact CB-CB 4Å; M179-F183 HydrophobicContact SD-CB 4.35Å; M179-F183 HydrophobicContact SD-CD2 4.09Å; G181-F183 PolarHBondContact O-N 3.36Å; F183-R190 WeakPolarHBondContact O-CB 3.43Å; F183-R190 WeakPolarHBondContact O-CD 3.27Å; F183-F193 HydrophobicContact CD2-CB 4.3Å; F183-F193 AromaticContact CD2-CD1 3.88Å; F183-F193 HydrophobicContact CD2-CD1 3.88Å; F183-F193 HydrophobicContact CD2-CG 4.18Å; F183-F193 HydrophobicContact CE2-CB 3.72Å; F183-F193 AromaticContact CE2-CD1 3.65Å; F183-F193 HydrophobicContact CE2-CD1 3.65Å; F183-F193 HydrophobicContact CE2-CD2 4.09Å; F183-F193 HydrophobicContact CE2-CE1 4.27Å; F183-F193 AromaticContact CE2-CG 3.54Å; F183-F193 HydrophobicContact CE2-CG 3.54Å; F183-F193 HydrophobicContact CZ-CB 4.02Å; F183-F193 HydrophobicContact CZ-CG 4.23Å
184R96.9Very high97.5Very high150 Ų15061 Ų6157%0.56632%0.315SS*.Hα-helixtrans-88.5-37.6173-177.3177.3-67.9-164.3-4.5111.1M179 L180 G181 S182M179-R184 HydrophobicContact CB-CB 4.42Å; M179-R184 VanDerWaalsContact O-CZ 3.29Å; M179-R184 PolarHBondContact O-NE 3.4Å; M179-R184 PolarHBondContact O-NH2 3.42Å; L180-R184 VanDerWaalsContact CD2-NH2 3.29Å; G181-R184 WeakPolarHBondContact O-CA 3.22Å; G181-R184 WeakPolarHBondContact O-CB 3.24Å; G181-R184 PolarHBondContact O-N 3.26Å; S182-R184 PolarHBondContact O-N 3.37Å
185E97.4Very high97.4Very high164 Ų16462.6 Ų62.677%0.76633%0.328SS*.Hα-helixtrans-89-36.8-169.4-65.5166-168.600112.8G181 S182G181-E185 PolarHBondContact O-N 3.14Å; S182-E185 PolarHBondContact O-N 3.02Å
186D95.7Very high97.3Very high66 Ų6662.5 Ų62.535%0.35332%0.324SS..  trans-106.9117.4177.9-176.311.8000111.2S182 K188 S189 R190S182-D186 WeakPolarHBondContact O-CA 3.39Å; S182-D186 WeakPolarHBondContact O-CB 3.33Å; S182-D186 PolarHBondContact O-N 3.46Å; D186-K188 PolarHBondContact O-N 2.76Å; D186-K188 PolarHBondContact OD1-N 3.16Å; D186-S189 PolarHBondContact OD2-OG 2.96Å; D186-R190 PolarHBondContact O-N 3.35Å
187G95.6Very high97.1Very high26 Ų2662.8 Ų62.827%0.26833%0.325SS..Hα-helixtrans-60-33.917500000112.9R190 E191G187-R190 PolarHBondContact O-N 2.87Å; G187-E191 WeakPolarHBondContact O-CB 3.36Å; G187-E191 VanDerWaalsContact O-CG 3.26Å; G187-E191 WeakPolarHBondContact O-CG 3.48Å; G187-E191 PolarHBondContact O-N 3.06Å
188K96.3Very high96.9Very high158 Ų15868.5 Ų68.569%0.68734%0.335SS*.Hα-helixtrans-70.1-50.6-176.4-67178.5179.9177.60112D186 R190 E191 E192D186-K188 PolarHBondContact O-N 2.76Å; D186-K188 PolarHBondContact OD1-N 3.16Å; K188-R190 PolarHBondContact O-N 3.46Å; K188-E191 PolarHBondContact O-N 3.07Å; K188-E191 VanDerWaalsContact O-N 3.12Å; K188-E192 WeakPolarHBondContact O-CB 3.38Å; K188-E192 PolarHBondContact O-N 3.01Å
189S94.8Very high96.4Very high18 Ų1869 Ų6913%0.12634%0.342CS..Hα-helixtrans-57.4-39175-54.40000111.8D186 F193D186-S189 PolarHBondContact OD2-OG 2.96Å; S189-F193 PolarHBondContact O-N 3.13Å; S189-F193 VanDerWaalsContact O-N 3.1Å
190R97.8Very high95.9Very high97 Ų9774 Ų7437%0.36638%0.376SS..Hα-helixtrans-65.1-45175.5-173.6176.359.7-156.8-2.8112.4M179 F183 D186 G187 K188 F193 L194M179-R190 HydrophobicContact CE-CG 4.24Å; M179-R190 HydrophobicContact CG-CG 4.35Å; F183-R190 WeakPolarHBondContact O-CB 3.43Å; F183-R190 WeakPolarHBondContact O-CD 3.27Å; D186-R190 PolarHBondContact O-N 3.35Å; G187-R190 PolarHBondContact O-N 2.87Å; K188-R190 PolarHBondContact O-N 3.46Å; R190-F193 PolarHBondContact O-N 3.01Å; R190-L194 HydrophobicContact CG-CD1 4.03Å; R190-L194 HydrophobicContact CG-CG 4.44Å; R190-L194 WeakPolarHBondContact O-CB 3.36Å; R190-L194 VanDerWaalsContact O-CG 3.26Å; R190-L194 WeakPolarHBondContact O-CG 3.45Å; R190-L194 PolarHBondContact O-N 3.44Å
191E97.4Very high95Very high126 Ų12678.2 Ų78.259%0.58939%0.393SS*.Hα-helixtrans-65.4-41179.3-79.4171.2-167.200111.8G187 K188 L194 S195G187-E191 WeakPolarHBondContact O-CB 3.36Å; G187-E191 VanDerWaalsContact O-CG 3.26Å; G187-E191 WeakPolarHBondContact O-CG 3.48Å; G187-E191 PolarHBondContact O-N 3.06Å; K188-E191 PolarHBondContact O-N 3.07Å; K188-E191 VanDerWaalsContact O-N 3.12Å; E191-L194 PolarHBondContact O-N 3.23Å; E191-S195 WeakPolarHBondContact O-CB 3.32Å; E191-S195 PolarHBondContact O-N 3.12Å
192E97.1Very high94.3Very high93 Ų9385.4 Ų85.444%0.43542%0.416SS..Hα-helixtrans-58.3-51.9174.3-174.2-179.4-161.400111L78 K188 L194 S195 L196L78-E192 HydrophobicContact CD2-CB 4.32Å; L78-E192 HydrophobicContact CD2-CG 3.76Å; K188-E192 WeakPolarHBondContact O-CB 3.38Å; K188-E192 PolarHBondContact O-N 3.01Å; E192-L194 PolarHBondContact O-N 3.03Å; E192-S195 PolarHBondContact O-N 3.03Å; E192-L196 HydrophobicContact CG-CD1 3.97Å; E192-L196 WeakPolarHBondContact O-CG 3.33Å; E192-L196 PolarHBondContact O-N 3.08Å
193F98Very high93.4Very high0 Ų092.7 Ų92.70%045%0.453CS..Hα-helixtrans-56.5-50.1175.6169.6-123.2000112.3L78 I80 G104 G152 V154 M179 F183 S189 R190 S195 L196 I197L78-F193 HydrophobicContact CD2-CB 4.28Å; I80-F193 HydrophobicContact CD1-CD2 3.85Å; I80-F193 HydrophobicContact CG1-CD2 4.02Å; I80-F193 HydrophobicContact CG1-CE2 4.42Å; G104-F193 VanDerWaalsContact N-CE2 3.33Å; G152-F193 WeakPolarHBondContact O-CZ 3.35Å; V154-F193 HydrophobicContact CG2-CE1 3.82Å; V154-F193 HydrophobicContact CG2-CZ 4.14Å; M179-F193 HydrophobicContact CE-CD1 3.9Å; M179-F193 HydrophobicContact CE-CE1 3.84Å; M179-F193 HydrophobicContact SD-CD1 4.15Å; M179-F193 HydrophobicContact SD-CE1 4.09Å; F183-F193 HydrophobicContact CD2-CB 4.3Å; F183-F193 AromaticContact CD2-CD1 3.88Å; F183-F193 HydrophobicContact CD2-CD1 3.88Å; F183-F193 HydrophobicContact CD2-CG 4.18Å; F183-F193 HydrophobicContact CE2-CB 3.72Å; F183-F193 AromaticContact CE2-CD1 3.65Å; F183-F193 HydrophobicContact CE2-CD1 3.65Å; F183-F193 HydrophobicContact CE2-CD2 4.09Å; F183-F193 HydrophobicContact CE2-CE1 4.27Å; F183-F193 AromaticContact CE2-CG 3.54Å; F183-F193 HydrophobicContact CE2-CG 3.54Å; F183-F193 HydrophobicContact CZ-CB 4.02Å; F183-F193 HydrophobicContact CZ-CG 4.23Å; S189-F193 PolarHBondContact O-N 3.13Å; S189-F193 VanDerWaalsContact O-N 3.1Å; R190-F193 PolarHBondContact O-N 3.01Å; F193-S195 VanDerWaalsContact C-N 3.31Å; F193-S195 PolarHBondContact O-N 2.64Å; F193-L196 PolarHBondContact O-N 3.03Å; F193-I197 HydrophobicContact CD2-CG2 3.88Å; F193-I197 HydrophobicContact CE1-CD1 4.4Å; F193-I197 HydrophobicContact CE2-CD1 4.5Å; F193-I197 HydrophobicContact CE2-CG2 3.45Å; F193-I197 VanDerWaalsContact CE2-CG2 3.45Å; F193-I197 HydrophobicContact CZ-CD1 4.17Å; F193-I197 HydrophobicContact CZ-CG2 4.11Å; F193-I197 WeakPolarHBondContact O-CG2 3.27Å; F193-I197 PolarHBondContact O-N 2.8Å; F193-I197 VanDerWaalsContact O-N 3.13Å
194L97.8Very high92Very high39 Ų3998.2 Ų98.220%0.20451%0.511CS..Hα-helixtrans-65.4-33.7-178.7-70.9177.9000112.7V154 M179 R190 E191 E192 I197 R198V154-L194 HydrophobicContact CG2-CD2 4.01Å; M179-L194 HydrophobicContact CE-CD1 4.45Å; M179-L194 HydrophobicContact CE-CD2 3.75Å; M179-L194 HydrophobicContact CE-CG 4.17Å; R190-L194 HydrophobicContact CG-CD1 4.03Å; R190-L194 HydrophobicContact CG-CG 4.44Å; R190-L194 WeakPolarHBondContact O-CB 3.36Å; R190-L194 VanDerWaalsContact O-CG 3.26Å; R190-L194 WeakPolarHBondContact O-CG 3.45Å; R190-L194 PolarHBondContact O-N 3.44Å; E191-L194 PolarHBondContact O-N 3.23Å; E192-L194 PolarHBondContact O-N 3.03Å; L194-I197 HydrophobicContact CD2-CD1 4.05Å; L194-I197 WeakPolarHBondContact O-CG1 3.45Å; L194-R198 WeakPolarHBondContact O-CD 3.31Å; L194-R198 VanDerWaalsContact O-CG 3.28Å; L194-R198 WeakPolarHBondContact O-CG 3.4Å; L194-R198 PolarHBondContact O-N 2.99Å
195S96.8Very high91.8Very high80 Ų8095.7 Ų95.756%0.55951%0.508SS*.Hα-helixtrans-66-49.4175.2-179.40000110.9E191 E192 F193 I197 R198 G199E191-S195 WeakPolarHBondContact O-CB 3.32Å; E191-S195 PolarHBondContact O-N 3.12Å; E192-S195 PolarHBondContact O-N 3.03Å; F193-S195 VanDerWaalsContact C-N 3.31Å; F193-S195 PolarHBondContact O-N 2.64Å; S195-I197 PolarHBondContact O-N 3.44Å; S195-R198 PolarHBondContact O-N 3.45Å; S195-G199 PolarHBondContact O-N 2.79Å
196L96Very high91.5Very high85 Ų8592.1 Ų92.145%0.44549%0.494SS..Hα-helixtrans-66.4-34.7-176.3-70.6171.1000113.2L78 I80 E192 F193 R198 G199L78-L196 HydrophobicContact CD2-CD1 3.82Å; I80-L196 HydrophobicContact CD1-CB 3.48Å; I80-L196 VanDerWaalsContact CD1-CB 3.48Å; I80-L196 HydrophobicContact CD1-CD1 3.62Å; I80-L196 HydrophobicContact CD1-CG 4.21Å; E192-L196 HydrophobicContact CG-CD1 3.97Å; E192-L196 WeakPolarHBondContact O-CG 3.33Å; E192-L196 PolarHBondContact O-N 3.08Å; F193-L196 PolarHBondContact O-N 3.03Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-G199 PolarHBondContact O-N 2.87Å
197I96.1Very high91.2Very high21 Ų2193.5 Ų93.511%0.10850%0.502CS..Hα-helixtrans-75.4-23176.668.1174000113.3I80 R82 V154 F193 L194 S195I80-I197 HydrophobicContact CD1-CG2 4.46Å; I80-I197 HydrophobicContact CG2-CG2 3.89Å; R82-I197 HydrophobicContact CB-CG2 4.34Å; V154-I197 HydrophobicContact CB-CD1 3.86Å; V154-I197 HydrophobicContact CG1-CD1 4.22Å; V154-I197 HydrophobicContact CG2-CD1 3.65Å; F193-I197 HydrophobicContact CD2-CG2 3.88Å; F193-I197 HydrophobicContact CE1-CD1 4.4Å; F193-I197 HydrophobicContact CE2-CD1 4.5Å; F193-I197 HydrophobicContact CE2-CG2 3.45Å; F193-I197 VanDerWaalsContact CE2-CG2 3.45Å; F193-I197 HydrophobicContact CZ-CD1 4.17Å; F193-I197 HydrophobicContact CZ-CG2 4.11Å; F193-I197 WeakPolarHBondContact O-CG2 3.27Å; F193-I197 PolarHBondContact O-N 2.8Å; F193-I197 VanDerWaalsContact O-N 3.13Å; L194-I197 HydrophobicContact CD2-CD1 4.05Å; L194-I197 WeakPolarHBondContact O-CG1 3.45Å; S195-I197 PolarHBondContact O-N 3.44Å
198R93.4Very high91Very high198 Ų19897.5 Ų97.575%0.74752%0.516SS*.Hα-helixtrans-88.4-9.4174.8-70.2176-176.6171.52112.9L194 S195 L196L194-R198 WeakPolarHBondContact O-CD 3.31Å; L194-R198 VanDerWaalsContact O-CG 3.28Å; L194-R198 WeakPolarHBondContact O-CG 3.4Å; L194-R198 PolarHBondContact O-N 2.99Å; S195-R198 PolarHBondContact O-N 3.45Å; L196-R198 VanDerWaalsContact C-N 3.34Å
199G89.2Confident90.6Very high26 Ų2693.7 Ų93.727%0.26851%0.505SS..SBendtrans-60.3161.217500000112.1S195 L196 K201S195-G199 PolarHBondContact O-N 2.79Å; L196-G199 PolarHBondContact O-N 2.87Å; G199-K201 PolarHBondContact O-N 2.87Å
200P86.4Confident90.4Very high124 Ų12498.7 Ų98.781%0.80553%0.53SS*.PPolyproline II helixtrans-54.9140.6-179.921.3-31.1000111.4R82 F202R82-P200 PolarHBondContact NH2-O 3.47Å; P200-F202 PolarHBondContact O-N 2.89Å
201K80.1Confident89.8Confident126 Ų12698.9 Ų98.955%0.54854%0.542SS..PPolyproline II helixtrans-63.8130.2176.3-167.1166.7-175.51760109.7D83 G199 L203D83-K201 WeakPolarHBondContact OD2-CD 3.25Å; D83-K201 VanDerWaalsContact OD2-CE 3.25Å; D83-K201 WeakPolarHBondContact OD2-CE 3.38Å; D83-K201 WeakPolarHBondContact OD2-CG 3.31Å; D83-K201 IonicContact OD2-NZ 3.25Å; G199-K201 PolarHBondContact O-N 2.87Å; K201-L203 PolarHBondContact O-N 3.08Å
202F82.7Confident89.2Confident179 Ų17996.8 Ų96.879%0.78554%0.538SS*.PPolyproline II helixtrans-66.9125.9170.3-179.4-112000108.7P200 G204P200-F202 PolarHBondContact O-N 2.89Å; F202-G204 VanDerWaalsContact C-N 3.31Å; F202-G204 VanDerWaalsContact CE1-CA 3.41Å; F202-G204 PolarHBondContact O-N 3.08Å
203L78.3Confident88.6Confident170 Ų17097.1 Ų97.189%0.8955%0.547SS*.  trans-94.326-175.3-65.6173.9000113K201K201-L203 PolarHBondContact O-N 3.08Å
204G68.2Low87.7Confident117 Ų117105.9 Ų105.9100%1.20660%0.597SS**  trans-65.50-176.800000114.8F202F202-G204 VanDerWaalsContact C-N 3.31Å; F202-G204 VanDerWaalsContact CE1-CA 3.41Å; F202-G204 PolarHBondContact O-N 3.08Å

Retrieved 204 of 204 residues in 252.4 ms (Link to these results)

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