A0A077QPL9_HUMAN Loading...

Bardet-Biedl syndrome 10 protein

AlphaFold DB , UniProt , Accession A0A077QPL9, Species HUMAN (Homo sapiens, Human), Gene BBS10, Length 657 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
1M90.7Very high94Very high87 Ų8770.2 Ų70.243%0.42939%0.385SS..  0-68.90-163.1-179.472.900113.9V3 D4 C5 K631 I632 I635M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.25Å; M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 3.16Å; M1-D4 WeakPolarHBondContact O-CB 3.42Å; M1-D4 PolarHBondContact O-N 3.34Å; M1-C5 PolarHBondContact O-N 3.08Å; M1-C5 PolarHBondContact O-SG 3.38Å; M1-K631 HydrophobicContact CE-CB 4.48Å; M1-K631 HydrophobicContact SD-CB 4.01Å; M1-I632 HydrophobicContact CE-CB 4.14Å; M1-I632 HydrophobicContact CE-CD1 4.22Å; M1-I632 HydrophobicContact CE-CG1 3.15Å; M1-I635 HydrophobicContact CE-CD1 3.94Å; M1-I635 HydrophobicContact SD-CD1 3.94Å
2I94.2Very high93.6Very high73 Ų7374.2 Ų74.237%0.37440%0.396SS..Hα-helixtrans-58.7-44.9-176.3-63174.6000111D4 C5 V6 L24 I632I2-D4 VanDerWaalsContact C-N 3.28Å; I2-D4 PolarHBondContact O-N 2.86Å; I2-C5 PolarHBondContact O-N 3.43Å; I2-V6 HydrophobicContact CG2-CG2 4.33Å; I2-V6 VanDerWaalsContact O-CG2 3.32Å; I2-V6 WeakPolarHBondContact O-CG2 3.15Å; I2-V6 PolarHBondContact O-N 3.44Å; I2-L24 HydrophobicContact CD1-CD2 4.15Å; I2-L24 HydrophobicContact CG1-CD2 4.28Å; I2-L24 HydrophobicContact CG2-CD2 3.99Å; I2-I632 HydrophobicContact CD1-CD1 4.14Å; I2-I632 HydrophobicContact CG1-CD1 4.15Å
3V95.2Very high93.4Very high105 Ų10568.8 Ų68.864%0.63637%0.368SS*.Hα-helixtrans-59-38.2175.4177.10000112M1 V6 S7M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.25Å; V3-V6 PolarHBondContact O-N 3.4Å; V3-S7 WeakPolarHBondContact O-CB 3.44Å; V3-S7 PolarHBondContact O-N 2.79Å; V3-S7 PolarHBondContact O-OG 3.21Å
4D94.9Very high93.2Very high103 Ų10364.1 Ų64.155%0.55134%0.344SS*.Hα-helixtrans-69.3-40.6178.3-47.2-50.8000111.2M1 I2 S7 S8M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 3.16Å; M1-D4 WeakPolarHBondContact O-CB 3.42Å; M1-D4 PolarHBondContact O-N 3.34Å; I2-D4 VanDerWaalsContact C-N 3.28Å; I2-D4 PolarHBondContact O-N 2.86Å; D4-S7 PolarHBondContact O-N 2.85Å; D4-S8 VanDerWaalsContact O-CB 3.22Å; D4-S8 WeakPolarHBondContact O-CB 3.36Å; D4-S8 PolarHBondContact O-N 3.48Å
5C94.8Very high93Very high22 Ų2263.9 Ų63.915%0.14934%0.342CS..Hα-helixtrans-63.4-44.7174.3-680000111.7M1 I2 S8 H9 F20 C628M1-C5 PolarHBondContact O-N 3.08Å; M1-C5 PolarHBondContact O-SG 3.38Å; I2-C5 PolarHBondContact O-N 3.43Å; C5-S8 PolarHBondContact O-N 2.86Å; C5-H9 WeakPolarHBondContact O-CB 3.38Å; C5-H9 PolarHBondContact O-N 2.8Å; C5-F20 HydrophobicContact CB-CZ 3.93Å; C5-C628 HydrophobicContact CB-CB 3.97Å; C5-C628 VanDerWaalsContact SG-SG 3.64Å
6V95.9Very high92.9Very high16 Ų1660.3 Ų60.310%0.09733%0.325CS..Hα-helixtrans-64.5-44.6176.5174.60000110.8I2 V3 H9 L10 A17 F20 I21I2-V6 HydrophobicContact CG2-CG2 4.33Å; I2-V6 VanDerWaalsContact O-CG2 3.32Å; I2-V6 WeakPolarHBondContact O-CG2 3.15Å; I2-V6 PolarHBondContact O-N 3.44Å; V3-V6 PolarHBondContact O-N 3.4Å; V6-H9 WeakPolarHBondContact O-CB 3.24Å; V6-H9 PolarHBondContact O-N 3.01Å; V6-L10 WeakPolarHBondContact O-CB 3.41Å; V6-L10 PolarHBondContact O-N 3.15Å; V6-A17 HydrophobicContact CG1-CB 3.78Å; V6-F20 HydrophobicContact CG2-CB 4.45Å; V6-F20 HydrophobicContact CG2-CD1 3.39Å; V6-F20 HydrophobicContact CG2-CE1 3.65Å; V6-F20 HydrophobicContact CG2-CG 3.89Å; V6-F20 HydrophobicContact CG2-CZ 4.31Å; V6-I21 HydrophobicContact CG2-CG1 4.13Å
7S94.8Very high92.9Very high51 Ų5158.3 Ų58.336%0.35732%0.319SS..Hα-helixtrans-63.4-42.2178.2-61.90000111.8V3 D4 L10 K11V3-S7 WeakPolarHBondContact O-CB 3.44Å; V3-S7 PolarHBondContact O-N 2.79Å; V3-S7 PolarHBondContact O-OG 3.21Å; D4-S7 PolarHBondContact O-N 2.85Å; S7-L10 PolarHBondContact O-N 3.02Å; S7-K11 WeakPolarHBondContact O-CB 3.27Å; S7-K11 VanDerWaalsContact O-CG 3.27Å; S7-K11 WeakPolarHBondContact O-CG 3.23Å; S7-K11 PolarHBondContact O-N 3.21Å
8S94.5Very high92.9Very high79 Ų7963.9 Ų63.955%0.55234%0.34SS*.Hα-helixtrans-63.6-43.4175.4-176.80000111.7D4 C5 K11 K12D4-S8 VanDerWaalsContact O-CB 3.22Å; D4-S8 WeakPolarHBondContact O-CB 3.36Å; D4-S8 PolarHBondContact O-N 3.48Å; C5-S8 PolarHBondContact O-N 2.86Å; S8-K11 PolarHBondContact O-N 3.45Å; S8-K12 PolarHBondContact O-N 3.01Å
9H94.6Very high93Very high5 Ų562.2 Ų62.22%0.02333%0.332CS..Hα-helixtrans-59-51.6173.7177.775.3000111.3C5 V6 K11 K12 T13 D15 F20 L621 S624C5-H9 WeakPolarHBondContact O-CB 3.38Å; C5-H9 PolarHBondContact O-N 2.8Å; V6-H9 WeakPolarHBondContact O-CB 3.24Å; V6-H9 PolarHBondContact O-N 3.01Å; H9-K11 VanDerWaalsContact C-N 3.31Å; H9-K11 PolarHBondContact O-N 3.47Å; H9-K12 PolarHBondContact O-N 2.81Å; H9-T13 PolarHBondContact CD2-OG1 3.01Å; H9-T13 WeakPolarHBondContact CE1-CG2 3.48Å; H9-T13 PolarHBondContact NE2-OG1 3.44Å; H9-T13 VanDerWaalsContact NE2-OG1 3.13Å; H9-T13 PolarHBondContact O-N 3.07Å; H9-T13 PolarHBondContact O-OG1 3.18Å; H9-D15 PolarHBondContact CD2-O 2.74Å; H9-D15 VanDerWaalsContact CD2-O 3.27Å; H9-D15 PolarHBondContact NE2-O 2.97Å; H9-D15 VanDerWaalsContact NE2-O 3.13Å; H9-F20 HydrophobicContact CB-CD2 4.23Å; H9-F20 HydrophobicContact CB-CE2 4.27Å; H9-L621 WeakPolarHBondContact CE1-CA 3.24Å; H9-S624 WeakPolarHBondContact ND1-CB 3.12Å; H9-S624 PolarHBondContact ND1-OG 3.43Å
10L92.9Very high93.2Very high71 Ų7159.1 Ų59.137%0.37232%0.315SS..Hα-helixtrans-61.6-38.2-178.7-174.965.3000112.2V6 S7 K12 G14 A17V6-L10 WeakPolarHBondContact O-CB 3.41Å; V6-L10 PolarHBondContact O-N 3.15Å; S7-L10 PolarHBondContact O-N 3.02Å; L10-K12 PolarHBondContact O-N 3.4Å; L10-G14 WeakPolarHBondContact O-CA 3.4Å; L10-G14 PolarHBondContact O-N 3.41Å; L10-A17 HydrophobicContact CD1-CB 4.49Å
11K91.2Very high93.4Very high160 Ų16060.3 Ų60.370%0.69632%0.321SS*.Hα-helixtrans-60-32.5173.7-78.2177.2-179.7-172.90112.5S7 S8 H9S7-K11 WeakPolarHBondContact O-CB 3.27Å; S7-K11 VanDerWaalsContact O-CG 3.27Å; S7-K11 WeakPolarHBondContact O-CG 3.23Å; S7-K11 PolarHBondContact O-N 3.21Å; S8-K11 PolarHBondContact O-N 3.45Å; H9-K11 VanDerWaalsContact C-N 3.31Å; H9-K11 PolarHBondContact O-N 3.47Å
12K89.5Confident93.6Very high118 Ų11858.4 Ų58.451%0.51331%0.312SS..Hα-helixtrans-86.3-41.9-179.5-173.1176.9179.5179.30113.2S8 H9 L10 Q357S8-K12 PolarHBondContact O-N 3.01Å; H9-K12 PolarHBondContact O-N 2.81Å; L10-K12 PolarHBondContact O-N 3.4Å; K12-Q357 PolarHBondContact O-NE2 3.48Å
13T90.8Very high93.7Very high5 Ų555.1 Ų55.13%0.03130%0.295CS..Hα-helixtrans-103.4-22.7-169.4610000114.2H9 D15 M354 Q620H9-T13 PolarHBondContact CD2-OG1 3.01Å; H9-T13 WeakPolarHBondContact CE1-CG2 3.48Å; H9-T13 PolarHBondContact NE2-OG1 3.44Å; H9-T13 VanDerWaalsContact NE2-OG1 3.13Å; H9-T13 PolarHBondContact O-N 3.07Å; H9-T13 PolarHBondContact O-OG1 3.18Å; T13-D15 PolarHBondContact O-N 2.82Å; T13-D15 VanDerWaalsContact O-N 3.17Å; T13-D15 PolarHBondContact OG1-N 2.75Å; T13-D15 PolarHBondContact OG1-O 2.83Å; T13-M354 WeakPolarHBondContact O-CA 3.49Å; T13-M354 PolarHBondContact O-N 2.84Å; T13-Q620 HydrophobicContact CG2-CB 4.02Å; T13-Q620 VanDerWaalsContact CG2-OE1 3.27Å
14G90.6Very high93.8Very high3 Ų350.3 Ų50.33%0.03127%0.266CS..SBendtrans67.72.1-171.700000114.7L10 Y111 G350L10-G14 WeakPolarHBondContact O-CA 3.4Å; L10-G14 PolarHBondContact O-N 3.41Å; G14-Y111 PolarHBondContact O-OH 3.21Å; G14-G350 WeakPolarHBondContact CA-O 3.48Å
15D90.6Very high93.9Very high60 Ų6047.9 Ų47.932%0.32126%0.256SS..  trans-144.5177.6-177.6-158.50.6000112.3H9 T13 A17 Y111 R115H9-D15 PolarHBondContact CD2-O 2.74Å; H9-D15 VanDerWaalsContact CD2-O 3.27Å; H9-D15 PolarHBondContact NE2-O 2.97Å; H9-D15 VanDerWaalsContact NE2-O 3.13Å; T13-D15 PolarHBondContact O-N 2.82Å; T13-D15 VanDerWaalsContact O-N 3.17Å; T13-D15 PolarHBondContact OG1-N 2.75Å; T13-D15 PolarHBondContact OG1-O 2.83Å; D15-A17 PolarHBondContact O-N 3.37Å; D15-Y111 HydrophobicContact CB-CD2 4.46Å; D15-Y111 HydrophobicContact CB-CE2 3.93Å; D15-R115 IonicContact OD1-CZ 2.64Å; D15-R115 IonicContact OD1-NH1 3.7Å; D15-R115 PolarHBondContact OD1-NH1 3.14Å; D15-R115 IonicContact OD1-NH2 2.89Å; D15-R115 PolarHBondContact OD1-NH2 2.87Å
16G91.9Very high93.9Very high7 Ų749.2 Ų49.27%0.07226%0.26CS..  trans89.6-5.5163.100000115.6K18 T19 F20G16-K18 PolarHBondContact O-N 3.26Å; G16-T19 CarbonylContact O-C 3.4Å; G16-T19 PolarHBondContact O-N 2.94Å; G16-T19 VanDerWaalsContact O-N 3.1Å; G16-F20 WeakPolarHBondContact O-CB 3.34Å; G16-F20 PolarHBondContact O-N 2.92Å
17A93.3Very high93.9Very high26 Ų2648.5 Ų48.522%0.21526%0.256CS..Hα-helixtrans-55.8-45-175.800000114.1V6 L10 D15 F20 I21V6-A17 HydrophobicContact CG1-CB 3.78Å; L10-A17 HydrophobicContact CD1-CB 4.49Å; D15-A17 PolarHBondContact O-N 3.37Å; A17-F20 WeakPolarHBondContact O-CB 3.11Å; A17-F20 PolarHBondContact O-N 3.49Å; A17-I21 WeakPolarHBondContact O-CG1 3.3Å; A17-I21 PolarHBondContact O-N 3.36Å
18K92.6Very high93.8Very high160 Ų16048.9 Ų48.970%0.69625%0.253SS*.Hα-helixtrans-65.5-45.1176.3-67.3178.5-176.5172.70111.3G16 F20 I21 I22G16-K18 PolarHBondContact O-N 3.26Å; K18-F20 VanDerWaalsContact C-N 3.3Å; K18-F20 PolarHBondContact O-N 3.45Å; K18-I21 PolarHBondContact O-N 2.88Å; K18-I22 VanDerWaalsContact O-CG1 3.3Å; K18-I22 WeakPolarHBondContact O-CG1 3.41Å; K18-I22 PolarHBondContact O-N 2.82Å
19T94.6Very high93.7Very high31 Ų3153 Ų5319%0.1926%0.257CS..Hα-helixtrans-63.9-37.5179.9-450000111.3G16 I22 F23 I574 L621G16-T19 CarbonylContact O-C 3.4Å; G16-T19 PolarHBondContact O-N 2.94Å; G16-T19 VanDerWaalsContact O-N 3.1Å; T19-I22 PolarHBondContact O-N 3.03Å; T19-F23 WeakPolarHBondContact O-CB 3.43Å; T19-F23 PolarHBondContact O-N 3.35Å; T19-I574 HydrophobicContact CG2-CD1 3.43Å; T19-I574 VanDerWaalsContact CG2-CD1 3.43Å; T19-I574 HydrophobicContact CG2-CG1 3.76Å; T19-I574 HydrophobicContact CG2-CG2 3.97Å; T19-L621 HydrophobicContact CG2-CD2 3.47Å; T19-L621 VanDerWaalsContact CG2-CD2 3.47Å
20F96.9Very high93.4Very high0 Ų054.1 Ų54.10%027%0.269CS..Hα-helixtrans-56-53.8175.4-172.3-67.8000110.5C5 V6 H9 G16 A17 K18 F23 L24 L621 V625 C628C5-F20 HydrophobicContact CB-CZ 3.93Å; V6-F20 HydrophobicContact CG2-CB 4.45Å; V6-F20 HydrophobicContact CG2-CD1 3.39Å; V6-F20 HydrophobicContact CG2-CE1 3.65Å; V6-F20 HydrophobicContact CG2-CG 3.89Å; V6-F20 HydrophobicContact CG2-CZ 4.31Å; H9-F20 HydrophobicContact CB-CD2 4.23Å; H9-F20 HydrophobicContact CB-CE2 4.27Å; G16-F20 WeakPolarHBondContact O-CB 3.34Å; G16-F20 PolarHBondContact O-N 2.92Å; A17-F20 WeakPolarHBondContact O-CB 3.11Å; A17-F20 PolarHBondContact O-N 3.49Å; K18-F20 VanDerWaalsContact C-N 3.3Å; K18-F20 PolarHBondContact O-N 3.45Å; F20-F23 PolarHBondContact O-N 2.86Å; F20-L24 HydrophobicContact CE1-CD2 4.14Å; F20-L24 VanDerWaalsContact O-CB 3.3Å; F20-L24 WeakPolarHBondContact O-CB 3.33Å; F20-L24 PolarHBondContact O-N 2.98Å; F20-L621 HydrophobicContact CB-CD1 3.68Å; F20-L621 HydrophobicContact CD2-CD1 4Å; F20-L621 HydrophobicContact CG-CD1 4.29Å; F20-V625 HydrophobicContact CB-CG2 4.07Å; F20-V625 HydrophobicContact CD1-CG2 3.87Å; F20-V625 HydrophobicContact CD2-CG2 3.4Å; F20-V625 VanDerWaalsContact CD2-CG2 3.4Å; F20-V625 HydrophobicContact CE1-CG2 4.12Å; F20-V625 HydrophobicContact CE2-CB 4.44Å; F20-V625 HydrophobicContact CE2-CG2 3.69Å; F20-V625 HydrophobicContact CG-CG2 3.49Å; F20-V625 VanDerWaalsContact CG-CG2 3.49Å; F20-V625 HydrophobicContact CZ-CG2 4.02Å; F20-C628 HydrophobicContact CE1-CB 4.18Å; F20-C628 HydrophobicContact CZ-CB 3.64Å
21I96.4Very high93.2Very high84 Ų8451 Ų5143%0.43125%0.253SS..Hα-helixtrans-64-47.8-177.8-63.7170.2000110.2V6 A17 K18 F23 L24 C25V6-I21 HydrophobicContact CG2-CG1 4.13Å; A17-I21 WeakPolarHBondContact O-CG1 3.3Å; A17-I21 PolarHBondContact O-N 3.36Å; K18-I21 PolarHBondContact O-N 2.88Å; I21-F23 VanDerWaalsContact C-N 3.31Å; I21-F23 PolarHBondContact O-N 3.46Å; I21-L24 PolarHBondContact O-N 2.74Å; I21-C25 WeakPolarHBondContact O-CB 3.47Å; I21-C25 PolarHBondContact O-N 3.22Å; I21-C25 PolarHBondContact O-SG 3.1Å
22I95.8Very high92.9Very high48 Ų4848.8 Ų48.825%0.24625%0.245CC..Hα-helixtrans-57-48.9179.1-69.4165.8000110.2K18 T19 C25 H26 I574 V577K18-I22 VanDerWaalsContact O-CG1 3.3Å; K18-I22 WeakPolarHBondContact O-CG1 3.41Å; K18-I22 PolarHBondContact O-N 2.82Å; T19-I22 PolarHBondContact O-N 3.03Å; I22-C25 PolarHBondContact O-N 3.01Å; I22-H26 PolarHBondContact O-CD2 3.4Å; I22-H26 PolarHBondContact O-N 3.25Å; I22-I574 HydrophobicContact CG2-CG1 4.2Å; I22-V577 HydrophobicContact CD1-CG1 4.11Å; I22-V577 HydrophobicContact CG2-CG2 4.22Å
23F97.1Very high92.7Very high3 Ų345.3 Ų45.31%0.01324%0.239CC..Hα-helixtrans-66.8-44.8-176.8-174.9-144.8000112.2T19 F20 I21 C25 H26 L27 I567 A570 L571 I574 L622 V625T19-F23 WeakPolarHBondContact O-CB 3.43Å; T19-F23 PolarHBondContact O-N 3.35Å; F20-F23 PolarHBondContact O-N 2.86Å; I21-F23 VanDerWaalsContact C-N 3.31Å; I21-F23 PolarHBondContact O-N 3.46Å; F23-C25 VanDerWaalsContact C-N 3.32Å; F23-C25 PolarHBondContact O-N 2.84Å; F23-H26 PolarHBondContact O-N 2.88Å; F23-H26 VanDerWaalsContact O-N 3.12Å; F23-L27 HydrophobicContact CD1-CD1 4.29Å; F23-L27 HydrophobicContact CD2-CD1 4.2Å; F23-L27 HydrophobicContact CD2-CG 4.17Å; F23-L27 HydrophobicContact CE1-CD1 3.99Å; F23-L27 HydrophobicContact CE2-CD1 3.92Å; F23-L27 HydrophobicContact CE2-CD2 4.06Å; F23-L27 HydrophobicContact CE2-CG 3.87Å; F23-L27 HydrophobicContact CG-CD1 4.36Å; F23-L27 HydrophobicContact CZ-CD1 3.8Å; F23-L27 HydrophobicContact CZ-CD2 4.27Å; F23-L27 HydrophobicContact CZ-CG 4.21Å; F23-L27 WeakPolarHBondContact O-CG 3.44Å; F23-L27 PolarHBondContact O-N 2.87Å; F23-I567 HydrophobicContact CZ-CG2 4.3Å; F23-A570 HydrophobicContact CD2-CB 4.1Å; F23-A570 HydrophobicContact CE2-CB 3.76Å; F23-L571 HydrophobicContact CD2-CD2 4.41Å; F23-L571 HydrophobicContact CE1-CD2 4.27Å; F23-L571 HydrophobicContact CE2-CD2 3.76Å; F23-L571 HydrophobicContact CE2-CG 3.82Å; F23-L571 HydrophobicContact CZ-CD2 3.69Å; F23-L571 HydrophobicContact CZ-CG 4Å; F23-I574 HydrophobicContact CB-CD1 4.1Å; F23-I574 HydrophobicContact CB-CG1 4.47Å; F23-I574 HydrophobicContact CG-CD1 4.32Å; F23-L622 HydrophobicContact CE1-CD1 3.36Å; F23-L622 HydrophobicContact CZ-CD1 3.59Å; F23-V625 HydrophobicContact CD1-CB 3.85Å; F23-V625 HydrophobicContact CD1-CG1 3.58Å; F23-V625 HydrophobicContact CD1-CG2 3.97Å; F23-V625 HydrophobicContact CE1-CB 4.19Å; F23-V625 HydrophobicContact CE1-CG1 3.96Å; F23-V625 HydrophobicContact CG-CG1 4.24Å
24L96.9Very high92.1Very high5 Ų546.8 Ų46.83%0.02625%0.246CC..Hα-helixtrans-57.9-44.6174.3-178.761.8000111.6I2 F20 I21 H26 L27 L28 V625 L629 I632I2-L24 HydrophobicContact CD1-CD2 4.15Å; I2-L24 HydrophobicContact CG1-CD2 4.28Å; I2-L24 HydrophobicContact CG2-CD2 3.99Å; F20-L24 HydrophobicContact CE1-CD2 4.14Å; F20-L24 VanDerWaalsContact O-CB 3.3Å; F20-L24 WeakPolarHBondContact O-CB 3.33Å; F20-L24 PolarHBondContact O-N 2.98Å; I21-L24 PolarHBondContact O-N 2.74Å; L24-H26 VanDerWaalsContact C-N 3.31Å; L24-H26 PolarHBondContact O-N 3.38Å; L24-L27 PolarHBondContact O-N 2.9Å; L24-L28 HydrophobicContact CD1-CD1 4.31Å; L24-L28 HydrophobicContact CD1-CG 4.33Å; L24-L28 HydrophobicContact CG-CD1 4.08Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.29Å; L24-V625 HydrophobicContact CB-CG1 4.08Å; L24-V625 HydrophobicContact CD1-CG1 4.33Å; L24-L629 HydrophobicContact CD1-CB 4.06Å; L24-L629 HydrophobicContact CD1-CD1 4.15Å; L24-I632 HydrophobicContact CD1-CD1 4.04Å; L24-I632 HydrophobicContact CD2-CD1 4.03Å; L24-I632 HydrophobicContact CG-CD1 4.49Å
25C95.8Very high90.9Very high51 Ų5147.8 Ų47.835%0.34525%0.251SS..Hα-helixtrans-59.9-40.8176.1-72.30000112.2I21 I22 F23 R29I21-C25 WeakPolarHBondContact O-CB 3.47Å; I21-C25 PolarHBondContact O-N 3.22Å; I21-C25 PolarHBondContact O-SG 3.1Å; I22-C25 PolarHBondContact O-N 3.01Å; F23-C25 VanDerWaalsContact C-N 3.32Å; F23-C25 PolarHBondContact O-N 2.84Å; C25-R29 WeakPolarHBondContact O-CB 3.5Å; C25-R29 VanDerWaalsContact O-CG 3.26Å; C25-R29 WeakPolarHBondContact O-CG 3.44Å; C25-R29 PolarHBondContact O-N 2.95Å
26H95.6Very high89.6Confident50 Ų5047.9 Ų47.923%0.23125%0.252CS..Hα-helixtrans-68.9-37.4177.3-83.2-72.9000112.8I22 F23 L24 G30 A570 G573I22-H26 PolarHBondContact O-CD2 3.4Å; I22-H26 PolarHBondContact O-N 3.25Å; F23-H26 PolarHBondContact O-N 2.88Å; F23-H26 VanDerWaalsContact O-N 3.12Å; L24-H26 VanDerWaalsContact C-N 3.31Å; L24-H26 PolarHBondContact O-N 3.38Å; H26-G30 PolarHBondContact O-N 3.15Å; H26-A570 HydrophobicContact CB-CB 3.88Å; H26-G573 WeakPolarHBondContact NE2-CA 3.28Å
27L95.2Very high88Confident1 Ų158.2 Ų58.21%0.00529%0.289CS..Hα-helixtrans-63.1-49174-72.1166000111.5F23 L24 R29 G30 L31 I566 I567 A570 V625 L626 L629F23-L27 HydrophobicContact CD1-CD1 4.29Å; F23-L27 HydrophobicContact CD2-CD1 4.2Å; F23-L27 HydrophobicContact CD2-CG 4.17Å; F23-L27 HydrophobicContact CE1-CD1 3.99Å; F23-L27 HydrophobicContact CE2-CD1 3.92Å; F23-L27 HydrophobicContact CE2-CD2 4.06Å; F23-L27 HydrophobicContact CE2-CG 3.87Å; F23-L27 HydrophobicContact CG-CD1 4.36Å; F23-L27 HydrophobicContact CZ-CD1 3.8Å; F23-L27 HydrophobicContact CZ-CD2 4.27Å; F23-L27 HydrophobicContact CZ-CG 4.21Å; F23-L27 WeakPolarHBondContact O-CG 3.44Å; F23-L27 PolarHBondContact O-N 2.87Å; L24-L27 PolarHBondContact O-N 2.9Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-R29 PolarHBondContact O-N 3.06Å; L27-G30 PolarHBondContact O-N 3Å; L27-G30 VanDerWaalsContact O-N 3.12Å; L27-L31 WeakPolarHBondContact O-CG 3.32Å; L27-L31 PolarHBondContact O-N 2.66Å; L27-I566 HydrophobicContact CD2-CG2 4.21Å; L27-I567 HydrophobicContact CD2-CB 4.48Å; L27-I567 HydrophobicContact CD2-CG1 3.97Å; L27-A570 HydrophobicContact CB-CB 4.48Å; L27-A570 HydrophobicContact CD2-CB 3.56Å; L27-A570 HydrophobicContact CG-CB 3.77Å; L27-V625 HydrophobicContact CD1-CG1 3.57Å; L27-L626 HydrophobicContact CD1-CD2 4.41Å; L27-L629 HydrophobicContact CB-CD2 3.94Å; L27-L629 HydrophobicContact CD1-CD2 3.99Å; L27-L629 HydrophobicContact CG-CD2 4.38Å
28L93.3Very high86.1Confident60 Ų6063 Ų6331%0.31431%0.307SS..Hα-helixtrans-60.6-41.1178.5-70.6170.5000112.1L24 L31 H32 L629 I632L24-L28 HydrophobicContact CD1-CD1 4.31Å; L24-L28 HydrophobicContact CD1-CG 4.33Å; L24-L28 HydrophobicContact CG-CD1 4.08Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.29Å; L28-L31 PolarHBondContact O-N 3.09Å; L28-H32 WeakPolarHBondContact O-CB 3.46Å; L28-H32 PolarHBondContact O-N 2.91Å; L28-L629 HydrophobicContact CD2-CD1 3.59Å; L28-L629 HydrophobicContact CG-CD1 4.21Å; L28-I632 HydrophobicContact CD2-CG2 4.32Å
29R92.1Very high84.2Confident165 Ų16562.1 Ų62.162%0.62330%0.303SS*.Hα-helixtrans-64-40.8173.9-74.1172.2-179.8154.8-0112.4C25 L27 L31 H32 A33C25-R29 WeakPolarHBondContact O-CB 3.5Å; C25-R29 VanDerWaalsContact O-CG 3.26Å; C25-R29 WeakPolarHBondContact O-CG 3.44Å; C25-R29 PolarHBondContact O-N 2.95Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-R29 PolarHBondContact O-N 3.06Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-H32 PolarHBondContact O-N 3.21Å; R29-A33 WeakPolarHBondContact O-CB 3.42Å; R29-A33 PolarHBondContact O-N 3.19Å; R29-A33 VanDerWaalsContact O-N 3.08Å
30G89.3Confident81.6Confident28 Ų2866.3 Ų66.329%0.28932%0.324SS..Hα-helixtrans-61.7-43.7176.100000112.1H26 L27 I34H26-G30 PolarHBondContact O-N 3.15Å; L27-G30 PolarHBondContact O-N 3Å; L27-G30 VanDerWaalsContact O-N 3.12Å; G30-I34 WeakPolarHBondContact O-CD1 3.27Å
31L88.1Confident79.1Confident6 Ų672.2 Ų72.23%0.03136%0.363CS..Hα-helixtrans-65-43.1175.9-72.9170.2000112.5L27 L28 R29 A33 I34 T35 W60 I63 I566 L629 L633L27-L31 WeakPolarHBondContact O-CG 3.32Å; L27-L31 PolarHBondContact O-N 2.66Å; L28-L31 PolarHBondContact O-N 3.09Å; R29-L31 VanDerWaalsContact C-N 3.35Å; L31-A33 PolarHBondContact O-N 2.98Å; L31-I34 WeakPolarHBondContact O-CB 3.38Å; L31-I34 PolarHBondContact O-N 2.84Å; L31-T35 PolarHBondContact O-N 3.44Å; L31-T35 PolarHBondContact O-OG1 3.05Å; L31-W60 HydrophobicContact CB-CH2 4.08Å; L31-W60 HydrophobicContact CB-CZ3 3.85Å; L31-W60 HydrophobicContact CD1-CZ3 4.43Å; L31-W60 HydrophobicContact CD2-CZ3 4.04Å; L31-W60 HydrophobicContact CG-CZ3 4.33Å; L31-I63 HydrophobicContact CD2-CD1 4.16Å; L31-I63 HydrophobicContact CD2-CG2 3.84Å; L31-I566 HydrophobicContact CD2-CD1 3.79Å; L31-I566 HydrophobicContact CD2-CG2 4.48Å; L31-I566 HydrophobicContact CG-CG2 4.37Å; L31-L629 HydrophobicContact CD1-CD1 3.87Å; L31-L629 HydrophobicContact CD1-CD2 4.04Å; L31-L629 HydrophobicContact CD1-CG 4.37Å; L31-L633 HydrophobicContact CD1-CD1 4.06Å; L31-L633 HydrophobicContact CD1-CD2 4.21Å
32H84.9Confident76.6Confident113 Ų11375.4 Ų75.452%0.52338%0.38SS..Hα-helixtrans-62.4-42.4178.2-172.556.4000112.6L28 R29 I34 T35 D36L28-H32 WeakPolarHBondContact O-CB 3.46Å; L28-H32 PolarHBondContact O-N 2.91Å; R29-H32 PolarHBondContact O-N 3.21Å; H32-I34 PolarHBondContact O-N 2.96Å; H32-T35 WeakPolarHBondContact O-CB 3.46Å; H32-T35 PolarHBondContact O-N 3.14Å; H32-T35 VanDerWaalsContact O-N 3.07Å; H32-D36 IonicContact CD2-OD2 2.8Å; H32-D36 IonicContact CE1-OD2 3.26Å; H32-D36 IonicContact NE2-OD2 2.64Å; H32-D36 PolarHBondContact NE2-OD2 3.49Å; H32-D36 PolarHBondContact O-N 2.7Å; H32-D36 VanDerWaalsContact O-N 3.17Å
33A84.7Confident73.8Confident46 Ų4680.5 Ų80.538%0.3840%0.404SS..Hα-helixtrans-62.8-23.8179.900000113.7R29 L31 R37R29-A33 WeakPolarHBondContact O-CB 3.42Å; R29-A33 PolarHBondContact O-N 3.19Å; R29-A33 VanDerWaalsContact O-N 3.08Å; L31-A33 PolarHBondContact O-N 2.98Å; A33-R37 WeakPolarHBondContact O-CG 3.23Å; A33-R37 PolarHBondContact O-N 2.8Å
34I78.1Confident70.8Confident35 Ų3586 Ų8618%0.17944%0.442CS..Hα-helixtrans-75.1-42.7174.9-72.9158.8000110.4G30 L31 H32 D36 R37 M562 I566G30-I34 WeakPolarHBondContact O-CD1 3.27Å; L31-I34 WeakPolarHBondContact O-CB 3.38Å; L31-I34 PolarHBondContact O-N 2.84Å; H32-I34 PolarHBondContact O-N 2.96Å; I34-D36 PolarHBondContact O-N 2.86Å; I34-R37 PolarHBondContact O-N 3.4Å; I34-M562 HydrophobicContact CB-CE 4.23Å; I34-M562 HydrophobicContact CD1-CE 3.65Å; I34-M562 HydrophobicContact CG1-CE 4.17Å; I34-M562 HydrophobicContact CG2-CE 3.23Å; I34-I566 HydrophobicContact CD1-CD1 3.22Å; I34-I566 HydrophobicContact CD1-CG1 3.51Å
35T66.8Low68.2Low24 Ų2494.2 Ų94.215%0.14748%0.48CS..Hα-helixtrans-63.6-31.2177.9-44.20000112L31 H32 W60L31-T35 PolarHBondContact O-N 3.44Å; L31-T35 PolarHBondContact O-OG1 3.05Å; H32-T35 WeakPolarHBondContact O-CB 3.46Å; H32-T35 PolarHBondContact O-N 3.14Å; H32-T35 VanDerWaalsContact O-N 3.07Å; T35-W60 WeakPolarHBondContact OG1-CH2 3.49Å
36D62.4Low65.7Low63 Ų6398.4 Ų98.434%0.33750%0.499SS..Hα-helixtrans-79.2-29.3178.4-75.7-26.2000114H32 I34 E38 K39H32-D36 IonicContact CD2-OD2 2.8Å; H32-D36 IonicContact CE1-OD2 3.26Å; H32-D36 IonicContact NE2-OD2 2.64Å; H32-D36 PolarHBondContact NE2-OD2 3.49Å; H32-D36 PolarHBondContact O-N 2.7Å; H32-D36 VanDerWaalsContact O-N 3.17Å; I34-D36 PolarHBondContact O-N 2.86Å; D36-E38 VanDerWaalsContact C-N 3.26Å; D36-E38 PolarHBondContact O-N 2.9Å; D36-K39 PolarHBondContact O-N 3.36Å; D36-K39 WeakPolarHBondContact OD1-CE 3.28Å; D36-K39 IonicContact OD1-NZ 3.32Å; D36-K39 PolarHBondContact OD1-NZ 2.96Å
37R58.8Low63.3Low223 Ų223103.6 Ų103.684%0.84253%0.527SS*.Hα-helixtrans-70.3-18.8-179.6-81180-173.2-103.41.2114.4A33 I34A33-R37 WeakPolarHBondContact O-CG 3.23Å; A33-R37 PolarHBondContact O-N 2.8Å; I34-R37 PolarHBondContact O-N 3.4Å
38E53.4Low61Low127 Ų127109.3 Ų109.359%0.59355%0.554SS**THydrogen-bonded Turntrans-96.73.6177.4-78.7173.1-15800113.4D36 D40 R59D36-E38 VanDerWaalsContact C-N 3.26Å; D36-E38 PolarHBondContact O-N 2.9Å; E38-D40 VanDerWaalsContact C-N 3.28Å; E38-D40 PolarHBondContact O-N 3.47Å; E38-R59 IonicContact OE1-CZ 3.91Å; E38-R59 IonicContact OE1-NH1 2.68Å; E38-R59 IonicContact OE1-NH2 2.74Å; E38-R59 PolarHBondContact OE1-NH2 2.95Å; E38-R59 IonicContact OE2-CZ 2.83Å; E38-R59 IonicContact OE2-NH1 3.78Å; E38-R59 PolarHBondContact OE2-NH1 2.89Å; E38-R59 IonicContact OE2-NH2 3.62Å; E38-R59 PolarHBondContact OE2-NH2 3.21Å
39K51.1Low59Low141 Ų141112 Ų11261%0.61357%0.573SS**  trans-74.987.6166.9-68.7175-179.9163.30108.1D36D36-K39 PolarHBondContact O-N 3.36Å; D36-K39 WeakPolarHBondContact OD1-CE 3.28Å; D36-K39 IonicContact OD1-NZ 3.32Å; D36-K39 PolarHBondContact OD1-NZ 2.96Å
40D41.4Very low56.9Low119 Ų119112 Ų11264%0.63658%0.58SS**  trans-55.5128.4168.9-123-24000109.2E38 L42E38-D40 VanDerWaalsContact C-N 3.28Å; E38-D40 PolarHBondContact O-N 3.47Å; D40-L42 PolarHBondContact O-N 2.81Å
41P43.8Very low55.1Low125 Ų125112.3 Ų112.381%0.81258%0.582SS**THydrogen-bonded Turntrans-67.9-3.2-178.3-16.729.4000114.4
42L43.1Very low53.6Low150 Ų150117.8 Ų117.879%0.78560%0.603SS**THydrogen-bonded Turntrans-1093-167.4-71.7170.1000115D40D40-L42 PolarHBondContact O-N 2.81Å
43M38.3Very low52.2Low155 Ų155117.5 Ų117.576%0.76460%0.601SS**SBendtrans-107.2102.4178.1-71.7-67.1166.700111.7
44C34.8Very low50.7Low119 Ų119124.7 Ų124.780%0.80462%0.619SS**  trans-36.7146.4179.9-95.30000116.1N46C44-N46 VanDerWaalsContact C-N 3.29Å; C44-N46 PolarHBondContact O-N 2.95Å
45E42Very low49.9Very low178 Ų178129.7 Ų129.783%0.83264%0.639SS**SBendtrans-74.6-1.2-167.8-129.1169-178.100115.8
46N42.9Very low49.8Very low138 Ų138131.5 Ų131.574%0.73865%0.648SS**SBendtrans-113.2123-167-74.3-24.5000113C44C44-N46 VanDerWaalsContact C-N 3.29Å; C44-N46 PolarHBondContact O-N 2.95Å
47I44.4Very low49.9Very low160 Ų160129.4 Ų129.482%0.82164%0.638SS**SBendtrans78.269.9166.6-40.4167.1000115.3
48Q47Very low50.5Low120 Ų120120.9 Ų120.956%0.56161%0.612SS**  trans-171.945.7158.3-110.6172.257.400114.2R52Q48-R52 WeakPolarHBondContact O-CB 3.17Å; Q48-R52 WeakPolarHBondContact O-CG 3.14Å; Q48-R52 PolarHBondContact O-N 3.45Å; Q48-R52 PolarHBondContact O-NE 3.43Å
49T52.6Low51.6Low117 Ų117117.4 Ų117.472%0.71859%0.594SS**Hα-helixtrans-69.1-41.4179.9440000112.6H53T49-H53 PolarHBondContact O-N 3.28Å; T49-H53 VanDerWaalsContact O-N 3.11Å
50H47.8Very low53.1Low166 Ų166113.5 Ų113.577%0.76958%0.575SS**Hα-helixtrans-70.5-39.6178.7-81.4-56.6000114H53 W54H50-H53 PolarHBondContact O-N 2.89Å; H50-W54 PolarHBondContact O-N 3.48Å; H50-W54 VanDerWaalsContact O-N 3.1Å
51G50.7Low55.1Low33 Ų33115 Ų11534%0.3458%0.576SS.*Hα-helixtrans-67.8-35177.100000113.3K55G51-K55 WeakPolarHBondContact O-CG 3.26Å; G51-K55 PolarHBondContact O-N 3.29Å; G51-K55 VanDerWaalsContact O-N 3.14Å
52R55.7Low56.9Low122 Ų122114.9 Ų114.946%0.4656%0.563SS.*Hα-helixtrans-68.6-39.7172.7-78.6-174.1-114.2-146.8-2.8112.2Q48 N56Q48-R52 WeakPolarHBondContact O-CB 3.17Å; Q48-R52 WeakPolarHBondContact O-CG 3.14Å; Q48-R52 PolarHBondContact O-N 3.45Å; Q48-R52 PolarHBondContact O-NE 3.43Å; R52-N56 WeakPolarHBondContact O-CB 3.48Å; R52-N56 VanDerWaalsContact O-CG 3.26Å; R52-N56 PolarHBondContact O-N 3.03Å; R52-N56 VanDerWaalsContact O-N 3.07Å; R52-N56 PolarHBondContact O-ND2 2.83Å
53H55.8Low59Low107 Ų107108.4 Ų108.450%0.49553%0.529SS..Hα-helixtrans-60.7-47.8175.7-171.1-79.5000111.6T49 H50 N56 C57T49-H53 PolarHBondContact O-N 3.28Å; T49-H53 VanDerWaalsContact O-N 3.11Å; H50-H53 PolarHBondContact O-N 2.89Å; H53-N56 PolarHBondContact O-N 2.7Å; H53-C57 PolarHBondContact CE1-SG 2.95Å; H53-C57 PolarHBondContact O-N 3.06Å; H53-C57 PolarHBondContact O-SG 2.88Å; H53-C57 VanDerWaalsContact O-SG 3.37Å
54W53.7Low61.3Low197 Ų197101.4 Ų101.475%0.74650%0.496SS*.Hα-helixtrans-64.2-41.6179.1-174.3-97.9000113.4H50 N56 C57 S58H50-W54 PolarHBondContact O-N 3.48Å; H50-W54 VanDerWaalsContact O-N 3.1Å; W54-N56 VanDerWaalsContact C-N 3.28Å; W54-N56 PolarHBondContact O-N 2.93Å; W54-C57 PolarHBondContact O-N 2.78Å; W54-S58 PolarHBondContact O-N 2.97Å; W54-S58 PolarHBondContact O-OG 3.33Å
55K61.5Low63.8Low139 Ų139101.2 Ų101.260%0.60448%0.483SS*.Hα-helixtrans-63-33.4174.8-75.9180179.7-177.90112.7G51 S58 R59G51-K55 WeakPolarHBondContact O-CG 3.26Å; G51-K55 PolarHBondContact O-N 3.29Å; G51-K55 VanDerWaalsContact O-N 3.14Å; K55-S58 PolarHBondContact O-OG 3.36Å; K55-R59 WeakPolarHBondContact O-CB 3.46Å; K55-R59 PolarHBondContact O-N 2.91Å
56N64.8Low66Low63 Ų6393 Ų9334%0.33745%0.446SS..Hα-helixtrans-74.3-43.1175.3-70.9-16.3000111.5R52 H53 W54 S58 R59 W60R52-N56 WeakPolarHBondContact O-CB 3.48Å; R52-N56 VanDerWaalsContact O-CG 3.26Å; R52-N56 PolarHBondContact O-N 3.03Å; R52-N56 VanDerWaalsContact O-N 3.07Å; R52-N56 PolarHBondContact O-ND2 2.83Å; H53-N56 PolarHBondContact O-N 2.7Å; W54-N56 VanDerWaalsContact C-N 3.28Å; W54-N56 PolarHBondContact O-N 2.93Å; N56-S58 PolarHBondContact O-N 3.37Å; N56-R59 PolarHBondContact O-N 3.44Å; N56-W60 PolarHBondContact O-N 3.41Å
57C65.3Low68.2Low18 Ų1886.7 Ų86.712%0.12241%0.412CS..Hα-helixtrans-59.1-45.4175.3-72.40000112.5H53 W54 R59 W60 K61 D636H53-C57 PolarHBondContact CE1-SG 2.95Å; H53-C57 PolarHBondContact O-N 3.06Å; H53-C57 PolarHBondContact O-SG 2.88Å; H53-C57 VanDerWaalsContact O-SG 3.37Å; W54-C57 PolarHBondContact O-N 2.78Å; C57-R59 VanDerWaalsContact C-N 3.33Å; C57-R59 PolarHBondContact O-N 3.32Å; C57-W60 PolarHBondContact O-N 3.43Å; C57-K61 PolarHBondContact O-N 3.45Å; C57-K61 VanDerWaalsContact O-N 3.07Å; C57-D636 WeakPolarHBondContact CB-OD1 3.44Å; C57-D636 PolarHBondContact SG-OD1 2.79Å
58S70Confident70.2Confident44 Ų4482.7 Ų82.731%0.30839%0.391SS..Hα-helixtrans-61.6-42.6176.563.50000111.3W54 K55 N56 K61 F62W54-S58 PolarHBondContact O-N 2.97Å; W54-S58 PolarHBondContact O-OG 3.33Å; K55-S58 PolarHBondContact O-OG 3.36Å; N56-S58 PolarHBondContact O-N 3.37Å; S58-K61 WeakPolarHBondContact O-CB 3.48Å; S58-K61 PolarHBondContact O-N 3.01Å; S58-F62 WeakPolarHBondContact O-CD2 3.36Å; S58-F62 PolarHBondContact O-N 3.47Å
59R77.7Confident72.1Confident55 Ų5578.2 Ų78.221%0.20837%0.373CS..Hα-helixtrans-62.8-41.9176.6-168.4-179.8-176.2166.711.1113.3E38 K55 N56 C57 K61 F62 I63E38-R59 IonicContact OE1-CZ 3.91Å; E38-R59 IonicContact OE1-NH1 2.68Å; E38-R59 IonicContact OE1-NH2 2.74Å; E38-R59 PolarHBondContact OE1-NH2 2.95Å; E38-R59 IonicContact OE2-CZ 2.83Å; E38-R59 IonicContact OE2-NH1 3.78Å; E38-R59 PolarHBondContact OE2-NH1 2.89Å; E38-R59 IonicContact OE2-NH2 3.62Å; E38-R59 PolarHBondContact OE2-NH2 3.21Å; K55-R59 WeakPolarHBondContact O-CB 3.46Å; K55-R59 PolarHBondContact O-N 2.91Å; N56-R59 PolarHBondContact O-N 3.44Å; C57-R59 VanDerWaalsContact C-N 3.33Å; C57-R59 PolarHBondContact O-N 3.32Å; R59-K61 VanDerWaalsContact C-N 3.3Å; R59-K61 PolarHBondContact O-N 2.82Å; R59-F62 PolarHBondContact O-N 3.02Å; R59-I63 HydrophobicContact CG-CD1 4.12Å; R59-I63 WeakPolarHBondContact O-CG1 3.45Å; R59-I63 PolarHBondContact O-N 2.64Å
60W82.4Confident73.8Confident58 Ų5872.7 Ų72.722%0.2234%0.338CS..Hα-helixtrans-64.1-37.5176.1-64.2129.5000112.1L31 T35 N56 C57 I63 S64 L633L31-W60 HydrophobicContact CB-CH2 4.08Å; L31-W60 HydrophobicContact CB-CZ3 3.85Å; L31-W60 HydrophobicContact CD1-CZ3 4.43Å; L31-W60 HydrophobicContact CD2-CZ3 4.04Å; L31-W60 HydrophobicContact CG-CZ3 4.33Å; T35-W60 WeakPolarHBondContact OG1-CH2 3.49Å; N56-W60 PolarHBondContact O-N 3.41Å; C57-W60 PolarHBondContact O-N 3.43Å; W60-I63 HydrophobicContact CE3-CD1 3.84Å; W60-I63 HydrophobicContact CZ3-CD1 3.86Å; W60-I63 PolarHBondContact O-N 3.5Å; W60-S64 WeakPolarHBondContact O-CB 3.41Å; W60-S64 PolarHBondContact O-N 3.28Å; W60-L633 HydrophobicContact CB-CB 4.37Å; W60-L633 WeakPolarHBondContact CB-O 3.31Å; W60-L633 HydrophobicContact CD2-CD2 4.03Å; W60-L633 HydrophobicContact CE3-CD2 3.58Å; W60-L633 HydrophobicContact CG-CD2 4.44Å; W60-L633 HydrophobicContact CZ3-CD2 4.16Å
61K82.1Confident75.7Confident152 Ų15266 Ų6666%0.66131%0.307SS*.Hα-helixtrans-63-41.7172.7-170.7175.1-179.81760112.3C57 S58 R59 S64 Q65C57-K61 PolarHBondContact O-N 3.45Å; C57-K61 VanDerWaalsContact O-N 3.07Å; S58-K61 WeakPolarHBondContact O-CB 3.48Å; S58-K61 PolarHBondContact O-N 3.01Å; R59-K61 VanDerWaalsContact C-N 3.3Å; R59-K61 PolarHBondContact O-N 2.82Å; K61-S64 WeakPolarHBondContact O-CB 3.22Å; K61-S64 PolarHBondContact O-N 3.41Å; K61-Q65 PolarHBondContact O-N 2.89Å
62F82.4Confident77.1Confident121 Ų12167.5 Ų67.553%0.53131%0.31SS..Hα-helixtrans-64.8-46.8174.7-71.5-65.9000112.3S58 R59 S64 Q65 A66S58-F62 WeakPolarHBondContact O-CD2 3.36Å; S58-F62 PolarHBondContact O-N 3.47Å; R59-F62 PolarHBondContact O-N 3.02Å; F62-S64 VanDerWaalsContact C-N 3.27Å; F62-S64 PolarHBondContact O-N 3Å; F62-Q65 WeakPolarHBondContact O-CB 3.43Å; F62-Q65 PolarHBondContact O-N 3.34Å; F62-Q65 VanDerWaalsContact O-N 3.11Å; F62-A66 PolarHBondContact O-N 2.77Å
63I86.4Confident78.3Confident14 Ų1465.4 Ų65.47%0.07231%0.306CS..Hα-helixtrans-60.6-40.5175.4-67.2168.4000110.6L31 R59 W60 Q65 A66 L67 V563 L633L31-I63 HydrophobicContact CD2-CD1 4.16Å; L31-I63 HydrophobicContact CD2-CG2 3.84Å; R59-I63 HydrophobicContact CG-CD1 4.12Å; R59-I63 WeakPolarHBondContact O-CG1 3.45Å; R59-I63 PolarHBondContact O-N 2.64Å; W60-I63 HydrophobicContact CE3-CD1 3.84Å; W60-I63 HydrophobicContact CZ3-CD1 3.86Å; W60-I63 PolarHBondContact O-N 3.5Å; I63-Q65 VanDerWaalsContact C-N 3.31Å; I63-Q65 PolarHBondContact O-N 2.98Å; I63-A66 PolarHBondContact O-N 2.98Å; I63-L67 HydrophobicContact CG2-CD1 4.08Å; I63-L67 HydrophobicContact CG2-CG 4.33Å; I63-L67 WeakPolarHBondContact O-CB 3.35Å; I63-L67 VanDerWaalsContact O-CG 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.3Å; I63-L67 PolarHBondContact O-N 3.49Å; I63-V563 HydrophobicContact CG2-CG2 4.41Å; I63-L633 HydrophobicContact CB-CD1 4.49Å; I63-L633 HydrophobicContact CG2-CD1 3.87Å
64S87.7Confident79.8Confident9 Ų960.6 Ų60.66%0.06328%0.284CS..Hα-helixtrans-59.4-41.5175.2178.90000112W60 K61 F62 L67 L68 T630W60-S64 WeakPolarHBondContact O-CB 3.41Å; W60-S64 PolarHBondContact O-N 3.28Å; K61-S64 WeakPolarHBondContact O-CB 3.22Å; K61-S64 PolarHBondContact O-N 3.41Å; F62-S64 VanDerWaalsContact C-N 3.27Å; F62-S64 PolarHBondContact O-N 3Å; S64-L67 PolarHBondContact O-N 3.13Å; S64-L68 PolarHBondContact O-N 3.14Å; S64-T630 WeakPolarHBondContact OG-CG2 3.47Å
65Q86.8Confident81.5Confident115 Ų11551.2 Ų51.254%0.53725%0.248SC..Hα-helixtrans-67.6-44.2175-171.661.929.500111.6K61 F62 I63 L67 L68 T69K61-Q65 PolarHBondContact O-N 2.89Å; F62-Q65 WeakPolarHBondContact O-CB 3.43Å; F62-Q65 PolarHBondContact O-N 3.34Å; F62-Q65 VanDerWaalsContact O-N 3.11Å; I63-Q65 VanDerWaalsContact C-N 3.31Å; I63-Q65 PolarHBondContact O-N 2.98Å; Q65-L67 VanDerWaalsContact C-N 3.29Å; Q65-L67 PolarHBondContact O-N 2.9Å; Q65-L68 WeakPolarHBondContact O-CB 3.46Å; Q65-L68 PolarHBondContact O-N 2.82Å; Q65-L68 VanDerWaalsContact O-N 3.1Å; Q65-T69 PolarHBondContact O-N 3.46Å; Q65-T69 PolarHBondContact O-OG1 3.07Å
66A87.9Confident82.8Confident6 Ų645.1 Ų45.15%0.0522%0.222CC..Hα-helixtrans-63.6-33.2176.900000112.5F62 I63 L68 T69 F70 E559 V563F62-A66 PolarHBondContact O-N 2.77Å; I63-A66 PolarHBondContact O-N 2.98Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-T69 PolarHBondContact O-N 2.72Å; A66-F70 VanDerWaalsContact O-CB 3.28Å; A66-F70 WeakPolarHBondContact O-CB 3.26Å; A66-F70 PolarHBondContact O-N 3.01Å; A66-E559 HydrophobicContact CB-CB 4.48Å; A66-V563 HydrophobicContact CB-CG2 3.79Å
67L90.1Very high83.9Confident4 Ų442.5 Ų42.52%0.02121%0.21CC..Hα-helixtrans-64.2-38.8171.9-75.8166.6000112.1I63 S64 Q65 F70 Q71 V563 I567 L626 L629 L633I63-L67 HydrophobicContact CG2-CD1 4.08Å; I63-L67 HydrophobicContact CG2-CG 4.33Å; I63-L67 WeakPolarHBondContact O-CB 3.35Å; I63-L67 VanDerWaalsContact O-CG 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.3Å; I63-L67 PolarHBondContact O-N 3.49Å; S64-L67 PolarHBondContact O-N 3.13Å; Q65-L67 VanDerWaalsContact C-N 3.29Å; Q65-L67 PolarHBondContact O-N 2.9Å; L67-F70 PolarHBondContact O-N 3.29Å; L67-Q71 PolarHBondContact O-N 2.9Å; L67-V563 HydrophobicContact CD2-CG1 3.58Å; L67-V563 HydrophobicContact CG-CG1 4.17Å; L67-I567 HydrophobicContact CD2-CD1 4.03Å; L67-L626 HydrophobicContact CD2-CD2 3.92Å; L67-L629 HydrophobicContact CD1-CD2 3.75Å; L67-L629 HydrophobicContact CD1-CG 3.94Å; L67-L629 HydrophobicContact CD2-CD2 4.28Å; L67-L633 HydrophobicContact CD1-CD1 3.65Å
68L86.4Confident85Confident76 Ų7641.8 Ų41.840%0.39821%0.205SC..Hα-helixtrans-67.2-46.4176.2-174.566.4000110.9S64 Q65 A66 F70 Q71 T72S64-L68 PolarHBondContact O-N 3.14Å; Q65-L68 WeakPolarHBondContact O-CB 3.46Å; Q65-L68 PolarHBondContact O-N 2.82Å; Q65-L68 VanDerWaalsContact O-N 3.1Å; A66-L68 VanDerWaalsContact C-N 3.35Å; L68-F70 VanDerWaalsContact C-N 3.32Å; L68-F70 PolarHBondContact O-N 3.14Å; L68-Q71 PolarHBondContact O-N 3.09Å; L68-T72 PolarHBondContact O-N 3.08Å; L68-T72 VanDerWaalsContact O-N 3.09Å; L68-T72 PolarHBondContact O-OG1 3.26Å; L68-T72 VanDerWaalsContact O-OG1 3.11Å
69T85.9Confident86Confident27 Ų2739.7 Ų39.717%0.16619%0.19CC..Hα-helixtrans-59.2-43.4174.6-54.10000111.4Q65 A66 Q71 T72 Q73Q65-T69 PolarHBondContact O-N 3.46Å; Q65-T69 PolarHBondContact O-OG1 3.07Å; A66-T69 PolarHBondContact O-N 2.72Å; T69-Q71 VanDerWaalsContact C-N 3.32Å; T69-Q71 PolarHBondContact O-N 3.24Å; T69-T72 PolarHBondContact O-N 2.92Å; T69-T72 PolarHBondContact O-OG1 2.78Å; T69-Q73 HydrophobicContact CG2-CB 4.49Å; T69-Q73 HydrophobicContact CG2-CG 4.22Å; T69-Q73 VanDerWaalsContact CG2-OE1 3.29Å; T69-Q73 VanDerWaalsContact O-CB 3.32Å; T69-Q73 WeakPolarHBondContact O-CB 3.44Å; T69-Q73 PolarHBondContact O-N 2.86Å
70F89.5Confident86.4Confident0 Ų039.2 Ų39.20%019%0.192CC..Iπ-helixtrans-56.9-46.9175.3173.5-89.3000111.7A66 L67 L68 T72 I74 L75 L548 V563 I567 L626A66-F70 VanDerWaalsContact O-CB 3.28Å; A66-F70 WeakPolarHBondContact O-CB 3.26Å; A66-F70 PolarHBondContact O-N 3.01Å; L67-F70 PolarHBondContact O-N 3.29Å; L68-F70 VanDerWaalsContact C-N 3.32Å; L68-F70 PolarHBondContact O-N 3.14Å; F70-T72 VanDerWaalsContact C-N 3.34Å; F70-T72 PolarHBondContact O-N 2.89Å; F70-I74 HydrophobicContact CB-CD1 4.46Å; F70-I74 HydrophobicContact CD2-CB 3.78Å; F70-I74 HydrophobicContact CD2-CD1 3.91Å; F70-I74 HydrophobicContact CD2-CG1 4.4Å; F70-I74 HydrophobicContact CD2-CG2 3.82Å; F70-I74 HydrophobicContact CE2-CB 4.07Å; F70-I74 HydrophobicContact CE2-CG2 3.65Å; F70-I74 HydrophobicContact CG-CB 4.41Å; F70-I74 WeakPolarHBondContact O-CB 3.4Å; F70-I74 PolarHBondContact O-N 2.95Å; F70-L75 HydrophobicContact CE1-CB 4.04Å; F70-L75 HydrophobicContact CZ-CB 4.44Å; F70-L75 PolarHBondContact O-N 3.31Å; F70-L548 HydrophobicContact CE2-CD2 3.41Å; F70-L548 VanDerWaalsContact CE2-CD2 3.41Å; F70-L548 HydrophobicContact CZ-CD1 4.26Å; F70-L548 HydrophobicContact CZ-CD2 3.54Å; F70-V563 HydrophobicContact CB-CG1 4.16Å; F70-V563 HydrophobicContact CG-CG1 4.33Å; F70-I567 HydrophobicContact CD1-CD1 3.43Å; F70-I567 VanDerWaalsContact CD1-CD1 3.43Å; F70-I567 HydrophobicContact CD2-CD1 4.19Å; F70-I567 HydrophobicContact CE1-CD1 3.4Å; F70-I567 HydrophobicContact CE1-CG2 4.38Å; F70-I567 HydrophobicContact CE2-CD1 4.16Å; F70-I567 HydrophobicContact CG-CD1 3.85Å; F70-I567 HydrophobicContact CZ-CD1 3.78Å; F70-I567 HydrophobicContact CZ-CG2 4.25Å; F70-L626 HydrophobicContact CD1-CD1 4Å; F70-L626 HydrophobicContact CE1-CD1 4.07Å
71Q86.8Confident86.5Confident25 Ų2540.5 Ų40.512%0.11720%0.2CC..Iπ-helixtrans-63.2-40.4-178.9-166.6-162.5-56.500112L67 L68 T69 T623L67-Q71 PolarHBondContact O-N 2.9Å; L68-Q71 PolarHBondContact O-N 3.09Å; T69-Q71 VanDerWaalsContact C-N 3.32Å; T69-Q71 PolarHBondContact O-N 3.24Å; Q71-T623 HydrophobicContact CG-CG2 4.41Å
72T80.1Confident86.8Confident65 Ų6536.4 Ų36.440%0.39918%0.181SC..Iπ-helixtrans-91.9-17.9-173.356.60000114.7L68 T69 F70L68-T72 PolarHBondContact O-N 3.08Å; L68-T72 VanDerWaalsContact O-N 3.09Å; L68-T72 PolarHBondContact O-OG1 3.26Å; L68-T72 VanDerWaalsContact O-OG1 3.11Å; T69-T72 PolarHBondContact O-N 2.92Å; T69-T72 PolarHBondContact O-OG1 2.78Å; F70-T72 VanDerWaalsContact C-N 3.34Å; F70-T72 PolarHBondContact O-N 2.89Å
73Q81.2Confident87.1Confident78 Ų7830.6 Ų30.636%0.36416%0.155SC..Iπ-helixtrans-122.9-30.6-173.4-58.3-175.2-4.400113.8T69T69-Q73 HydrophobicContact CG2-CB 4.49Å; T69-Q73 HydrophobicContact CG2-CG 4.22Å; T69-Q73 VanDerWaalsContact CG2-OE1 3.29Å; T69-Q73 VanDerWaalsContact O-CB 3.32Å; T69-Q73 WeakPolarHBondContact O-CB 3.44Å; T69-Q73 PolarHBondContact O-N 2.86Å
74I87Confident87.1Confident7 Ų731.2 Ų31.24%0.03616%0.161CC..Iπ-helixtrans-104.3-47.6-171.6-59.7173.8000110.9F70 D76 G77 I78 Y551 E560F70-I74 HydrophobicContact CB-CD1 4.46Å; F70-I74 HydrophobicContact CD2-CB 3.78Å; F70-I74 HydrophobicContact CD2-CD1 3.91Å; F70-I74 HydrophobicContact CD2-CG1 4.4Å; F70-I74 HydrophobicContact CD2-CG2 3.82Å; F70-I74 HydrophobicContact CE2-CB 4.07Å; F70-I74 HydrophobicContact CE2-CG2 3.65Å; F70-I74 HydrophobicContact CG-CB 4.41Å; F70-I74 WeakPolarHBondContact O-CB 3.4Å; F70-I74 PolarHBondContact O-N 2.95Å; I74-D76 PolarHBondContact O-N 3.26Å; I74-G77 PolarHBondContact O-N 3.01Å; I74-I78 HydrophobicContact CG2-CD1 3.68Å; I74-I78 HydrophobicContact CG2-CG1 4.39Å; I74-I78 WeakPolarHBondContact O-CG1 3.45Å; I74-I78 PolarHBondContact O-N 3.48Å; I74-Y551 HydrophobicContact CD1-CE1 3.82Å; I74-Y551 HydrophobicContact CG1-CE1 4.18Å; I74-Y551 HydrophobicContact CG2-CD1 4Å; I74-Y551 HydrophobicContact CG2-CE1 3.71Å; I74-Y551 HydrophobicContact CG2-CE2 4.41Å; I74-Y551 HydrophobicContact CG2-CG 4.49Å; I74-E560 HydrophobicContact CD1-CB 3.94Å; I74-E560 HydrophobicContact CD1-CG 4.26Å
75L89.9Confident87.1Confident0 Ų036.6 Ų36.60%018%0.18CC..Hα-helixtrans-60.2-48.7-175.4178.156.9000111.5F70 G77 I78 M79 L544 Y619 L622F70-L75 HydrophobicContact CE1-CB 4.04Å; F70-L75 HydrophobicContact CZ-CB 4.44Å; F70-L75 PolarHBondContact O-N 3.31Å; L75-G77 PolarHBondContact O-N 3.17Å; L75-I78 PolarHBondContact O-N 2.84Å; L75-M79 HydrophobicContact CD1-CG 4.11Å; L75-M79 HydrophobicContact CG-CG 4.41Å; L75-M79 VanDerWaalsContact O-CG 3.26Å; L75-M79 WeakPolarHBondContact O-CG 3.28Å; L75-M79 PolarHBondContact O-N 3.48Å; L75-L544 HydrophobicContact CD1-CD1 4.29Å; L75-L544 HydrophobicContact CD1-CD2 4.43Å; L75-Y619 HydrophobicContact CD2-CD2 4.29Å; L75-Y619 HydrophobicContact CD2-CE2 3.85Å; L75-Y619 HydrophobicContact CG-CD2 4.44Å; L75-Y619 HydrophobicContact CG-CE2 3.95Å; L75-L622 HydrophobicContact CD1-CD2 3.4Å; L75-L622 HydrophobicContact CD2-CD2 3.52Å; L75-L622 HydrophobicContact CD2-CG 3.95Å; L75-L622 HydrophobicContact CG-CD2 4.11Å
76D89.4Confident87.2Confident11 Ų1133 Ų336%0.05916%0.163CC..Hα-helixtrans-62.5-42.4-178.1-75.27.7000112I74 I78 M79 D80 L364 N365 Y366 Y619I74-D76 PolarHBondContact O-N 3.26Å; D76-I78 PolarHBondContact O-N 3.39Å; D76-M79 PolarHBondContact O-N 2.89Å; D76-D80 WeakPolarHBondContact O-CB 3.18Å; D76-D80 PolarHBondContact O-N 3.34Å; D76-L364 HydrophobicContact CB-CB 4.11Å; D76-L364 HydrophobicContact CB-CD2 4Å; D76-N365 WeakPolarHBondContact CB-O 3.48Å; D76-N365 PolarHBondContact OD2-N 3.48Å; D76-Y366 HydrophobicContact CB-CD1 4.27Å; D76-Y619 WeakPolarHBondContact OD1-CE2 3.42Å; D76-Y619 PolarHBondContact OD1-OH 3.32Å
77G86.5Confident87.3Confident7 Ų732.9 Ų32.97%0.07216%0.161CC..Hα-helixtrans-64.2-38.2175.400000112.8I74 L75 Q81 Y366I74-G77 PolarHBondContact O-N 3.01Å; L75-G77 PolarHBondContact O-N 3.17Å; G77-Q81 VanDerWaalsContact O-CB 3.24Å; G77-Q81 WeakPolarHBondContact O-CB 3.42Å; G77-Q81 VanDerWaalsContact O-CG 3.3Å; G77-Q81 WeakPolarHBondContact O-CG 3.3Å; G77-Q81 PolarHBondContact O-N 3.42Å; G77-Y366 VanDerWaalsContact CA-CG 3.47Å
78I89.6Confident87.2Confident3 Ų333.5 Ų33.52%0.01516%0.164CC..Hα-helixtrans-69-39.9176.2-71.3174.4000111.5I74 L75 D76 Y82 L83 L544 L548 Y551I74-I78 HydrophobicContact CG2-CD1 3.68Å; I74-I78 HydrophobicContact CG2-CG1 4.39Å; I74-I78 WeakPolarHBondContact O-CG1 3.45Å; I74-I78 PolarHBondContact O-N 3.48Å; L75-I78 PolarHBondContact O-N 2.84Å; D76-I78 PolarHBondContact O-N 3.39Å; I78-Y82 HydrophobicContact CB-CD2 4.39Å; I78-Y82 HydrophobicContact CG1-CD2 4.16Å; I78-Y82 HydrophobicContact CG1-CE2 4.5Å; I78-Y82 HydrophobicContact CG2-CD2 4.44Å; I78-Y82 WeakPolarHBondContact O-CB 3.47Å; I78-Y82 PolarHBondContact O-N 2.85Å; I78-Y82 VanDerWaalsContact O-N 3.08Å; I78-L83 HydrophobicContact CG2-CD1 3.49Å; I78-L83 VanDerWaalsContact CG2-CD1 3.49Å; I78-L83 WeakPolarHBondContact O-CD1 3.38Å; I78-L83 PolarHBondContact O-N 3.47Å; I78-L83 VanDerWaalsContact O-N 3.07Å; I78-L544 HydrophobicContact CG2-CD1 3.73Å; I78-L548 HydrophobicContact CD1-CD2 3.36Å; I78-L548 HydrophobicContact CD1-CG 4.11Å; I78-Y551 HydrophobicContact CD1-CG 4.25Å
79M90.1Very high87.3Confident1 Ų130.7 Ų30.71%0.00515%0.151CC..Iπ-helixtrans-60.2-51.4175.5-72.1-65.3-63.200111.3L75 D76 L83 S84 F87 L364 M528 F540 V615 Y619L75-M79 HydrophobicContact CD1-CG 4.11Å; L75-M79 HydrophobicContact CG-CG 4.41Å; L75-M79 VanDerWaalsContact O-CG 3.26Å; L75-M79 WeakPolarHBondContact O-CG 3.28Å; L75-M79 PolarHBondContact O-N 3.48Å; D76-M79 PolarHBondContact O-N 2.89Å; M79-L83 PolarHBondContact O-N 3.02Å; M79-L83 HydrophobicContact SD-CB 4.46Å; M79-L83 HydrophobicContact SD-CD2 3.68Å; M79-S84 PolarHBondContact O-N 3.2Å; M79-F87 HydrophobicContact CE-CE2 4.34Å; M79-F87 HydrophobicContact CE-CZ 3.76Å; M79-L364 HydrophobicContact CB-CD1 4.08Å; M79-L364 HydrophobicContact CB-CD2 4.4Å; M79-M528 HydrophobicContact CE-SD 4.2Å; M79-F540 HydrophobicContact CE-CE2 4.17Å; M79-F540 HydrophobicContact SD-CE2 4.07Å; M79-F540 HydrophobicContact SD-CZ 4.21Å; M79-V615 HydrophobicContact CE-CG1 3.73Å; M79-Y619 HydrophobicContact CE-CD2 4.09Å; M79-Y619 HydrophobicContact CG-CD2 3.9Å; M79-Y619 HydrophobicContact CG-CE2 4.14Å; M79-Y619 HydrophobicContact SD-CD2 4.27Å
80D85.9Confident87.5Confident45 Ų4529.4 Ų29.424%0.24114%0.143CC..Iπ-helixtrans-69.3-49.6-177.4-178.649.6000112.8D76 S84 L364 Y366 S526D76-D80 WeakPolarHBondContact O-CB 3.18Å; D76-D80 PolarHBondContact O-N 3.34Å; D80-S84 WeakPolarHBondContact O-CB 3.37Å; D80-S84 PolarHBondContact O-OG 3.36Å; D80-L364 HydrophobicContact CB-CD1 3.88Å; D80-Y366 HydrophobicContact CB-CE1 3.71Å; D80-Y366 WeakPolarHBondContact OD2-CE1 3.16Å; D80-Y366 PolarHBondContact OD2-OH 3.47Å; D80-S526 VanDerWaalsContact CG-OG 3.23Å; D80-S526 PolarHBondContact OD1-OG 2.85Å; D80-S526 PolarHBondContact OD2-OG 3.24Å
81Q84.8Confident87.3Confident84 Ų8429.9 Ų29.939%0.39315%0.145SC..Iπ-helixtrans-83.8-29.2-170.7-61.8-178.3-0.800113.9G77 Y366G77-Q81 VanDerWaalsContact O-CB 3.24Å; G77-Q81 WeakPolarHBondContact O-CB 3.42Å; G77-Q81 VanDerWaalsContact O-CG 3.3Å; G77-Q81 WeakPolarHBondContact O-CG 3.3Å; G77-Q81 PolarHBondContact O-N 3.42Å; Q81-Y366 WeakPolarHBondContact CG-OH 3.35Å; Q81-Y366 PolarHBondContact NE2-OH 3.49Å; Q81-Y366 VanDerWaalsContact NE2-OH 3.16Å
82Y87.6Confident86.9Confident66 Ų6632 Ų3226%0.25916%0.163SC..Iπ-helixtrans-121.6-40.6-167.7-57.7-55000114.7I78 R85 H86 Y547I78-Y82 HydrophobicContact CB-CD2 4.39Å; I78-Y82 HydrophobicContact CG1-CD2 4.16Å; I78-Y82 HydrophobicContact CG1-CE2 4.5Å; I78-Y82 HydrophobicContact CG2-CD2 4.44Å; I78-Y82 WeakPolarHBondContact O-CB 3.47Å; I78-Y82 PolarHBondContact O-N 2.85Å; I78-Y82 VanDerWaalsContact O-N 3.08Å; Y82-R85 WeakPolarHBondContact O-CG 3.18Å; Y82-R85 PolarHBondContact O-NE 2.59Å; Y82-H86 PolarHBondContact O-CD2 2.91Å; Y82-Y547 HydrophobicContact CD1-CD1 4.38Å; Y82-Y547 HydrophobicContact CD1-CE1 4.47Å; Y82-Y547 AromaticContact CG-CD1 3.98Å; Y82-Y547 HydrophobicContact CG-CD1 3.98Å; Y82-Y547 HydrophobicContact CG-CE1 4.38Å; Y82-Y547 HydrophobicContact CG-CG 4.35Å
83L89.1Confident86.5Confident0 Ų030.8 Ų30.80%016%0.157CC..Iπ-helixtrans-83.4-31.3-179.3-83.870.3000112.2I78 M79 R85 H86 F87 F540 L543 L544 Y547I78-L83 HydrophobicContact CG2-CD1 3.49Å; I78-L83 VanDerWaalsContact CG2-CD1 3.49Å; I78-L83 WeakPolarHBondContact O-CD1 3.38Å; I78-L83 PolarHBondContact O-N 3.47Å; I78-L83 VanDerWaalsContact O-N 3.07Å; M79-L83 PolarHBondContact O-N 3.02Å; M79-L83 HydrophobicContact SD-CB 4.46Å; M79-L83 HydrophobicContact SD-CD2 3.68Å; L83-R85 PolarHBondContact O-N 2.79Å; L83-R85 VanDerWaalsContact O-N 3.12Å; L83-H86 WeakPolarHBondContact O-CB 3.3Å; L83-H86 PolarHBondContact O-N 3.48Å; L83-F87 HydrophobicContact CB-CE1 3.75Å; L83-F87 HydrophobicContact CB-CZ 3.53Å; L83-F87 WeakPolarHBondContact O-CD1 3.26Å; L83-F87 WeakPolarHBondContact O-CE1 3.47Å; L83-F540 HydrophobicContact CD2-CD2 4.33Å; L83-F540 HydrophobicContact CD2-CE2 3.94Å; L83-F540 HydrophobicContact CD2-CZ 4.49Å; L83-L543 HydrophobicContact CG-CB 4.49Å; L83-L544 HydrophobicContact CD1-CD1 4.28Å; L83-L544 HydrophobicContact CD2-CB 4.16Å; L83-L544 HydrophobicContact CD2-CD1 4.22Å; L83-Y547 HydrophobicContact CD1-CD2 3.52Å; L83-Y547 HydrophobicContact CD1-CE2 4.27Å; L83-Y547 HydrophobicContact CD1-CG 4.22Å; L83-Y547 HydrophobicContact CG-CD2 4.34Å
84S87.6Confident85.7Confident26 Ų2631 Ų3118%0.18217%0.173CC..G310 helixtrans-49.2-39.5-179.164.30000114.6M79 D80 H86 F87M79-S84 PolarHBondContact O-N 3.2Å; D80-S84 WeakPolarHBondContact O-CB 3.37Å; D80-S84 PolarHBondContact O-OG 3.36Å; S84-H86 PolarHBondContact O-N 3.38Å; S84-H86 VanDerWaalsContact O-N 3.13Å; S84-F87 PolarHBondContact O-N 3.45Å; S84-F87 VanDerWaalsContact O-N 3.12Å
85R87.8Confident84.7Confident123 Ų12340.3 Ų40.346%0.46421%0.213SC..G310 helixtrans-64.4-14.8178.470-175.8136.1-170.8-2.1115Y82 L83 Y547Y82-R85 WeakPolarHBondContact O-CG 3.18Å; Y82-R85 PolarHBondContact O-NE 2.59Å; L83-R85 PolarHBondContact O-N 2.79Å; L83-R85 VanDerWaalsContact O-N 3.12Å; R85-Y547 PolarHBondContact NE-OH 2.75Å; R85-Y547 PolarHBondContact NH2-OH 3.23Å
86H87.9Confident83.5Confident40 Ų4046 Ų4619%0.18524%0.239CC..G310 helixtrans-99.6-8.9178.9-61.3-77.3000112.5Y82 L83 S84 L534 L543 Y547Y82-H86 PolarHBondContact O-CD2 2.91Å; L83-H86 WeakPolarHBondContact O-CB 3.3Å; L83-H86 PolarHBondContact O-N 3.48Å; S84-H86 PolarHBondContact O-N 3.38Å; S84-H86 VanDerWaalsContact O-N 3.13Å; H86-L534 HydrophobicContact CB-CD2 4.25Å; H86-L534 WeakPolarHBondContact O-CD2 3.22Å; H86-L543 HydrophobicContact CB-CD1 3.98Å; H86-Y547 AromaticContact NE2-CE2 3.73Å; H86-Y547 AromaticContact NE2-CZ 3.71Å; H86-Y547 PolarHBondContact NE2-OH 3.06Å
87F89.4Confident82.9Confident2 Ų249.4 Ų49.41%0.00925%0.251CS..PPolyproline II helixtrans-73.8138.3-176.5-58.4-21.1000111.1M79 L83 S84 T499 M528 C532 L534 V615M79-F87 HydrophobicContact CE-CE2 4.34Å; M79-F87 HydrophobicContact CE-CZ 3.76Å; L83-F87 HydrophobicContact CB-CE1 3.75Å; L83-F87 HydrophobicContact CB-CZ 3.53Å; L83-F87 WeakPolarHBondContact O-CD1 3.26Å; L83-F87 WeakPolarHBondContact O-CE1 3.47Å; S84-F87 PolarHBondContact O-N 3.45Å; S84-F87 VanDerWaalsContact O-N 3.12Å; F87-T499 PolarHBondContact O-OG1 3.25Å; F87-M528 HydrophobicContact CD2-CG 4.23Å; F87-M528 HydrophobicContact CD2-SD 3.84Å; F87-M528 HydrophobicContact CE2-CG 4.04Å; F87-M528 HydrophobicContact CE2-SD 3.31Å; F87-M528 WeakPolarHBondContact CE2-SD 3.29Å; F87-M528 HydrophobicContact CZ-SD 4.13Å; F87-C532 HydrophobicContact CB-CB 4.19Å; F87-C532 HydrophobicContact CD2-CB 4.06Å; F87-C532 HydrophobicContact CG-CB 4.23Å; F87-L534 HydrophobicContact CD1-CD1 4.12Å; F87-L534 HydrophobicContact CD1-CD2 4.09Å; F87-L534 HydrophobicContact CD1-CG 4.01Å; F87-L534 HydrophobicContact CE1-CD1 4.06Å; F87-L534 HydrophobicContact CE1-CG 4.46Å; F87-V615 HydrophobicContact CD1-CG1 4.24Å; F87-V615 HydrophobicContact CD1-CG2 3.69Å; F87-V615 HydrophobicContact CD2-CG1 4.4Å; F87-V615 HydrophobicContact CE1-CB 4.45Å; F87-V615 HydrophobicContact CE1-CG1 3.68Å; F87-V615 HydrophobicContact CE1-CG2 3.86Å; F87-V615 HydrophobicContact CE2-CG1 3.9Å; F87-V615 HydrophobicContact CG-CG2 4.15Å; F87-V615 HydrophobicContact CZ-CG1 3.51Å; F87-V615 HydrophobicContact CZ-CG2 4.47Å
88L89.7Confident82.5Confident17 Ų1750 Ų509%0.08925%0.254CS..EExtended strand (participates in β ladder)trans-97.3156.7168.5-55.9176.7000108.5L496 V498 C532 V533 P535 L612L88-L496 HydrophobicContact CB-CD2 4.43Å; L88-L496 HydrophobicContact CD1-CD1 4.37Å; L88-V498 HydrophobicContact CD2-CG2 4.09Å; L88-C532 WeakPolarHBondContact O-CA 3.5Å; L88-V533 HydrophobicContact CB-CG2 3.92Å; L88-V533 PolarHBondContact N-O 2.97Å; L88-V533 PolarHBondContact O-N 3.12Å; L88-P535 HydrophobicContact CD1-CG 4.25Å; L88-L612 HydrophobicContact CD1-CD2 4.28Å
89S88.6Confident82.1Confident17 Ų1750.7 Ų50.712%0.11926%0.257CS..EExtended strand (participates in β ladder)trans-100.4131.6172.5176.60000110.7F91 L496 Q497S89-F91 VanDerWaalsContact C-N 3.25Å; S89-F91 PolarHBondContact OG-N 2.91Å; S89-F91 PolarHBondContact OG-O 3.46Å; S89-L496 WeakPolarHBondContact O-CD2 3.39Å; S89-Q497 PolarHBondContact N-O 2.9Å
90I88.3Confident81.9Confident0 Ų052.1 Ų52.10%027%0.267CS..SBendtrans-73.6-21.7167-161.2168.3000112.3L99 C100 L104 L107 L358 G531 V533I90-L99 HydrophobicContact CB-CD2 4.39Å; I90-L99 HydrophobicContact CD1-CD2 4.02Å; I90-L99 HydrophobicContact CG1-CD2 3.91Å; I90-L99 HydrophobicContact CG2-CD2 3.7Å; I90-C100 PolarHBondContact O-N 3.38Å; I90-L104 HydrophobicContact CD1-CD1 4.39Å; I90-L107 HydrophobicContact CD1-CB 4.36Å; I90-L107 HydrophobicContact CD1-CD2 3.68Å; I90-L358 HydrophobicContact CB-CD2 4.35Å; I90-L358 HydrophobicContact CD1-CD2 3.52Å; I90-L358 HydrophobicContact CG2-CD1 4.49Å; I90-L358 HydrophobicContact CG2-CD2 3.79Å; I90-L358 HydrophobicContact CG2-CG 4.13Å; I90-G531 WeakPolarHBondContact CG2-O 3.32Å; I90-G531 PolarHBondContact N-O 2.93Å; I90-V533 HydrophobicContact CB-CG1 4.14Å; I90-V533 HydrophobicContact CB-CG2 4.48Å
91F85.7Confident82Confident10 Ų1054.8 Ų54.84%0.04427%0.274CS..EExtended strand (participates in β ladder)trans-83.8137.5-179.7-58.3-53.9000110.9S89 R97 T98 L99 F359 A530 G531S89-F91 VanDerWaalsContact C-N 3.25Å; S89-F91 PolarHBondContact OG-N 2.91Å; S89-F91 PolarHBondContact OG-O 3.46Å; F91-R97 VanDerWaalsContact CD1-C 3.43Å; F91-R97 HydrophobicContact CD1-CB 4.25Å; F91-R97 VanDerWaalsContact CD1-O 3.26Å; F91-R97 WeakPolarHBondContact CD1-O 3.45Å; F91-R97 HydrophobicContact CD2-CB 4.5Å; F91-R97 HydrophobicContact CE1-CB 4.05Å; F91-R97 VanDerWaalsContact CE1-O 3.32Å; F91-R97 WeakPolarHBondContact CE1-O 3.4Å; F91-R97 HydrophobicContact CE2-CB 4.28Å; F91-R97 HydrophobicContact CE2-CG 4.24Å; F91-R97 HydrophobicContact CG-CB 4.48Å; F91-R97 HydrophobicContact CZ-CB 4.07Å; F91-R97 HydrophobicContact CZ-CG 4.44Å; F91-T98 CarbonylContact C-O 3.55Å; F91-T98 WeakPolarHBondContact CA-O 3.49Å; F91-L99 HydrophobicContact CD1-CD2 3.72Å; F91-L99 HydrophobicContact CD1-CG 4.1Å; F91-L99 HydrophobicContact CE1-CD2 3.53Å; F91-L99 HydrophobicContact CE1-CG 3.9Å; F91-F359 HydrophobicContact CE1-CD1 4.31Å; F91-F359 AromaticContact CE1-CE1 3.74Å; F91-F359 HydrophobicContact CE1-CE1 3.74Å; F91-F359 HydrophobicContact CE1-CE2 4.18Å; F91-F359 AromaticContact CE1-CZ 3.69Å; F91-F359 HydrophobicContact CE1-CZ 3.69Å; F91-F359 HydrophobicContact CZ-CD1 4.02Å; F91-F359 HydrophobicContact CZ-CD2 4.44Å; F91-F359 AromaticContact CZ-CE1 3.93Å; F91-F359 HydrophobicContact CZ-CE1 3.93Å; F91-F359 HydrophobicContact CZ-CE2 4.35Å; F91-F359 HydrophobicContact CZ-CG 4.3Å; F91-F359 HydrophobicContact CZ-CZ 4.12Å; F91-A530 VanDerWaalsContact CE2-C 3.45Å; F91-A530 HydrophobicContact CE2-CB 3.89Å; F91-A530 WeakPolarHBondContact CE2-O 3.41Å; F91-G531 VanDerWaalsContact CE2-CA 3.4Å
92S78.8Confident82.2Confident70 Ų7053.6 Ų53.649%0.4927%0.274SS..EExtended strand (participates in β ladder)trans-74.3-31.2172.760.90000112.5T98S92-T98 PolarHBondContact N-O 3.17Å; S92-T98 PolarHBondContact OG-O 2.96Å; S92-T98 VanDerWaalsContact OG-O 3.07Å; S92-T98 PolarHBondContact OG-OG1 3.25Å
93S71.4Confident82.3Confident40 Ų4050.6 Ų50.628%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-132.6122.7171.2173.90000110.2K95 E96 R97 T98S93-K95 VanDerWaalsContact C-N 3.29Å; S93-K95 PolarHBondContact O-N 3.18Å; S93-E96 PolarHBondContact O-N 2.72Å; S93-R97 PolarHBondContact O-N 3.4Å; S93-T98 PolarHBondContact N-OG1 2.95Å
94A65.2Low82.4Confident83 Ų8350.6 Ų50.669%0.68626%0.263SS*.THydrogen-bonded Turntrans-65.7-30.1179.700000113
95K65.7Low82.6Confident202 Ų20252 Ų5288%0.87827%0.267SS*.THydrogen-bonded Turntrans-75.2-37.2-179.3-70.2-174.9178.9-178.60112.6S93S93-K95 VanDerWaalsContact C-N 3.29Å; S93-K95 PolarHBondContact O-N 3.18Å
96E64.9Low82.8Confident120 Ų12048.5 Ų48.556%0.56126%0.257SS*.THydrogen-bonded Turntrans-99-6.6-175.2-60.6-174.3167.400113.1S93 T98S93-E96 PolarHBondContact O-N 2.72Å; E96-T98 HydrophobicContact CB-CG2 3.74Å; E96-T98 PolarHBondContact O-N 3.37Å; E96-T98 VanDerWaalsContact O-N 3.15Å
97R76.1Confident83.1Confident82 Ų8246.7 Ų46.731%0.30925%0.249SC..THydrogen-bonded Turntrans49.536.1-175.7-60.7-173.4-177.6-171.41.1112.9F91 S93 L99 F359 D361F91-R97 VanDerWaalsContact CD1-C 3.43Å; F91-R97 HydrophobicContact CD1-CB 4.25Å; F91-R97 VanDerWaalsContact CD1-O 3.26Å; F91-R97 WeakPolarHBondContact CD1-O 3.45Å; F91-R97 HydrophobicContact CD2-CB 4.5Å; F91-R97 HydrophobicContact CE1-CB 4.05Å; F91-R97 VanDerWaalsContact CE1-O 3.32Å; F91-R97 WeakPolarHBondContact CE1-O 3.4Å; F91-R97 HydrophobicContact CE2-CB 4.28Å; F91-R97 HydrophobicContact CE2-CG 4.24Å; F91-R97 HydrophobicContact CG-CB 4.48Å; F91-R97 HydrophobicContact CZ-CB 4.07Å; F91-R97 HydrophobicContact CZ-CG 4.44Å; S93-R97 PolarHBondContact O-N 3.4Å; R97-L99 PolarHBondContact O-N 2.81Å; R97-F359 PolarHBondContact NH1-O 3.45Å; R97-D361 IonicContact CZ-OD1 3.02Å; R97-D361 IonicContact CZ-OD2 3.51Å; R97-D361 IonicContact NH1-OD2 3.19Å; R97-D361 VanDerWaalsContact NH2-CG 3.35Å; R97-D361 IonicContact NH2-OD1 3.56Å; R97-D361 PolarHBondContact NH2-OD1 2.91Å; R97-D361 IonicContact NH2-OD2 2.65Å; R97-D361 PolarHBondContact NH2-OD2 2.84Å
98T78.3Confident83.4Confident20 Ų2046.6 Ų46.612%0.12325%0.248CC..EExtended strand (participates in β ladder)trans-77.4117.1-179.1460000110.2F91 S92 S93 E96 C138F91-T98 CarbonylContact C-O 3.55Å; F91-T98 WeakPolarHBondContact CA-O 3.49Å; S92-T98 PolarHBondContact N-O 3.17Å; S92-T98 PolarHBondContact OG-O 2.96Å; S92-T98 VanDerWaalsContact OG-O 3.07Å; S92-T98 PolarHBondContact OG-OG1 3.25Å; S93-T98 PolarHBondContact N-OG1 2.95Å; E96-T98 HydrophobicContact CB-CG2 3.74Å; E96-T98 PolarHBondContact O-N 3.37Å; E96-T98 VanDerWaalsContact O-N 3.15Å; T98-C138 HydrophobicContact CG2-CB 4.46Å
99L81.9Confident83.6Confident16 Ų1649 Ų498%0.08426%0.259CS..EExtended strand (participates in β ladder)trans-70.3133.2-179.2-78.1171.4000112.2I90 F91 R97 L104 F132 F133 F359I90-L99 HydrophobicContact CB-CD2 4.39Å; I90-L99 HydrophobicContact CD1-CD2 4.02Å; I90-L99 HydrophobicContact CG1-CD2 3.91Å; I90-L99 HydrophobicContact CG2-CD2 3.7Å; F91-L99 HydrophobicContact CD1-CD2 3.72Å; F91-L99 HydrophobicContact CD1-CG 4.1Å; F91-L99 HydrophobicContact CE1-CD2 3.53Å; F91-L99 HydrophobicContact CE1-CG 3.9Å; R97-L99 PolarHBondContact O-N 2.81Å; L99-L104 HydrophobicContact CD1-CD2 4.43Å; L99-F132 HydrophobicContact CD1-CD1 4.03Å; L99-F132 HydrophobicContact CD1-CE1 3.18Å; L99-F132 HydrophobicContact CD1-CE2 4.42Å; L99-F132 HydrophobicContact CD1-CZ 3.41Å; L99-F132 VanDerWaalsContact CD1-CZ 3.41Å; L99-F132 HydrophobicContact CG-CE1 4.46Å; L99-F133 HydrophobicContact CB-CZ 4.34Å; L99-F359 HydrophobicContact CD1-CE2 3.74Å; L99-F359 HydrophobicContact CD1-CZ 3.43Å; L99-F359 VanDerWaalsContact CD1-CZ 3.43Å; L99-F359 HydrophobicContact CD2-CE2 4.22Å; L99-F359 HydrophobicContact CD2-CZ 4.11Å; L99-F359 HydrophobicContact CG-CE2 4.2Å; L99-F359 HydrophobicContact CG-CZ 3.69Å
100C85.1Confident83.8Confident31 Ų3149.8 Ų49.821%0.20927%0.266CS..PPolyproline II helixtrans-80.3126.2168-176.90000109.8I90 S102 S103 L104I90-C100 PolarHBondContact O-N 3.38Å; C100-S102 PolarHBondContact O-N 3.41Å; C100-S102 PolarHBondContact SG-OG 2.9Å; C100-S103 PolarHBondContact O-N 3.06Å; C100-L104 PolarHBondContact O-N 2.84Å
101R88.5Confident84.1Confident102 Ų10250.2 Ų50.239%0.38527%0.268SS..Hα-helixtrans-59.5-46.7-178-177.2171.1175.5127.51.7112.7S103 L104 E105 D130 F133R101-S103 VanDerWaalsContact C-N 3.33Å; R101-S103 PolarHBondContact O-N 3.48Å; R101-L104 PolarHBondContact O-N 2.95Å; R101-E105 IonicContact CZ-OE1 3.78Å; R101-E105 IonicContact NE-OE1 3.47Å; R101-E105 PolarHBondContact NE-OE1 2.96Å; R101-E105 IonicContact NH2-OE1 2.8Å; R101-E105 WeakPolarHBondContact O-CG 3.42Å; R101-E105 PolarHBondContact O-N 3.13Å; R101-D130 IonicContact CZ-OD1 3.43Å; R101-D130 IonicContact NH1-OD1 3.7Å; R101-D130 PolarHBondContact NH1-OD1 2.98Å; R101-D130 IonicContact NH2-OD1 3.82Å; R101-D130 PolarHBondContact NH2-OD1 3Å; R101-D130 IonicContact NH2-OD2 3.22Å; R101-F133 HydrophobicContact CB-CE2 3.76Å; R101-F133 HydrophobicContact CB-CZ 3.8Å; R101-F133 HydrophobicContact CG-CD2 4.34Å; R101-F133 HydrophobicContact CG-CE2 3.77Å; R101-F133 HydrophobicContact CG-CZ 4.33Å
102S88.4Confident84.6Confident58 Ų5849.7 Ų49.741%0.40627%0.266SS..Hα-helixtrans-63.9-38.3179.653.40000112.5C100 E105 L106C100-S102 PolarHBondContact O-N 3.41Å; C100-S102 PolarHBondContact SG-OG 2.9Å; S102-E105 PolarHBondContact O-N 2.89Å; S102-L106 WeakPolarHBondContact O-CG 3.31Å; S102-L106 PolarHBondContact O-N 3.46Å
103S89.4Confident85.1Confident4 Ų449.9 Ų49.93%0.02827%0.267CS..Hα-helixtrans-69.1-37.6177.3-53.90000111.8C100 R101 L106 L107C100-S103 PolarHBondContact O-N 3.06Å; R101-S103 VanDerWaalsContact C-N 3.33Å; R101-S103 PolarHBondContact O-N 3.48Å; S103-L106 PolarHBondContact O-N 2.9Å; S103-L107 PolarHBondContact O-N 2.91Å; S103-L107 VanDerWaalsContact O-N 3.09Å
104L91.2Very high85.8Confident0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-65-42.5173.8-177.162.1000111.9I90 L99 C100 R101 L106 L107 L108 F132 F133 L355I90-L104 HydrophobicContact CD1-CD1 4.39Å; L99-L104 HydrophobicContact CD1-CD2 4.43Å; C100-L104 PolarHBondContact O-N 2.84Å; R101-L104 PolarHBondContact O-N 2.95Å; L104-L106 PolarHBondContact O-N 3.37Å; L104-L107 PolarHBondContact O-N 3.43Å; L104-L108 HydrophobicContact CD1-CD1 4.13Å; L104-L108 HydrophobicContact CD1-CG 4.15Å; L104-L108 HydrophobicContact CD2-CD1 4.46Å; L104-L108 HydrophobicContact CG-CD1 3.88Å; L104-L108 HydrophobicContact CG-CG 4.32Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 WeakPolarHBondContact O-CG 3.43Å; L104-L108 PolarHBondContact O-N 3.31Å; L104-F132 HydrophobicContact CD2-CB 4.29Å; L104-F132 HydrophobicContact CD2-CD1 3.78Å; L104-F132 HydrophobicContact CD2-CG 4.08Å; L104-F133 HydrophobicContact CD2-CD2 4.46Å; L104-F133 HydrophobicContact CD2-CE2 3.82Å; L104-F133 HydrophobicContact CD2-CZ 4.48Å; L104-L355 HydrophobicContact CD1-CD1 4.29Å; L104-L355 HydrophobicContact CD1-CD2 3.44Å; L104-L355 VanDerWaalsContact CD1-CD2 3.44Å
105E92.6Very high87.1Confident55 Ų5549.7 Ų49.726%0.25726%0.258SS..Hα-helixtrans-60-44.7175.5-73.2174-176.700111.5R101 S102 L107 L108 E109 C129R101-E105 IonicContact CZ-OE1 3.78Å; R101-E105 IonicContact NE-OE1 3.47Å; R101-E105 PolarHBondContact NE-OE1 2.96Å; R101-E105 IonicContact NH2-OE1 2.8Å; R101-E105 WeakPolarHBondContact O-CG 3.42Å; R101-E105 PolarHBondContact O-N 3.13Å; S102-E105 PolarHBondContact O-N 2.89Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.38Å; E105-L108 PolarHBondContact O-N 2.91Å; E105-E109 VanDerWaalsContact O-CB 3.25Å; E105-E109 WeakPolarHBondContact O-CB 3.42Å; E105-E109 PolarHBondContact O-N 3.06Å; E105-C129 HydrophobicContact CG-CB 4.03Å; E105-C129 VanDerWaalsContact CG-SG 3.57Å
106L92.7Very high88.4Confident49 Ų4940.4 Ų40.426%0.25722%0.219SC..Hα-helixtrans-62.3-36.5176.2-73.1174000113.3S102 S103 L104 A110 G611 L612S102-L106 WeakPolarHBondContact O-CG 3.31Å; S102-L106 PolarHBondContact O-N 3.46Å; S103-L106 PolarHBondContact O-N 2.9Å; L104-L106 PolarHBondContact O-N 3.37Å; L106-A110 WeakPolarHBondContact O-CB 3.45Å; L106-A110 PolarHBondContact O-N 3.29Å; L106-G611 WeakPolarHBondContact O-CA 3.28Å; L106-L612 HydrophobicContact CB-CD1 4.08Å; L106-L612 HydrophobicContact CB-CG 4.11Å; L106-L612 HydrophobicContact CD1-CD1 4.44Å; L106-L612 PolarHBondContact O-N 3Å
107L94.2Very high89.5Confident2 Ų236.5 Ų36.51%0.0121%0.211CC..Hα-helixtrans-69.3-47.5175.6177.565.8000111.2I90 S103 L104 E105 A110 Y111 M354 L355 L358 L612I90-L107 HydrophobicContact CD1-CB 4.36Å; I90-L107 HydrophobicContact CD1-CD2 3.68Å; S103-L107 PolarHBondContact O-N 2.91Å; S103-L107 VanDerWaalsContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 3.43Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.38Å; L107-A110 PolarHBondContact O-N 3.46Å; L107-Y111 WeakPolarHBondContact O-CB 3.47Å; L107-Y111 PolarHBondContact O-N 3.42Å; L107-M354 HydrophobicContact CD1-CE 4.33Å; L107-M354 HydrophobicContact CD1-SD 4.09Å; L107-M354 HydrophobicContact CD2-CE 3.9Å; L107-M354 HydrophobicContact CG-CE 3.83Å; L107-M354 HydrophobicContact CG-SD 4.26Å; L107-L355 HydrophobicContact CD2-CD2 3.86Å; L107-L358 HydrophobicContact CD2-CD2 3.61Å; L107-L612 HydrophobicContact CB-CB 4.29Å; L107-L612 HydrophobicContact CD1-CB 4.42Å; L107-L612 WeakPolarHBondContact CD1-O 3.5Å
108L95.1Very high90.1Very high0 Ų043.1 Ų43.10%024%0.236CC..Hα-helixtrans-67.3-41.1-179.4-69.9173.9000111.7L104 E105 A110 Y111 F112 S125 M128 C129 A351 M354 L355L104-L108 HydrophobicContact CD1-CD1 4.13Å; L104-L108 HydrophobicContact CD1-CG 4.15Å; L104-L108 HydrophobicContact CD2-CD1 4.46Å; L104-L108 HydrophobicContact CG-CD1 3.88Å; L104-L108 HydrophobicContact CG-CG 4.32Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 WeakPolarHBondContact O-CG 3.43Å; L104-L108 PolarHBondContact O-N 3.31Å; E105-L108 PolarHBondContact O-N 2.91Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-A110 PolarHBondContact O-N 3.27Å; L108-Y111 PolarHBondContact O-N 3.4Å; L108-F112 HydrophobicContact CB-CD2 4.18Å; L108-F112 HydrophobicContact CB-CE2 4.15Å; L108-F112 HydrophobicContact CD2-CE2 3.99Å; L108-F112 WeakPolarHBondContact O-CB 3.4Å; L108-F112 WeakPolarHBondContact O-CD2 3.45Å; L108-F112 PolarHBondContact O-N 3.44Å; L108-S125 PolarHBondContact O-OG 2.89Å; L108-M128 HydrophobicContact CD1-CB 4.13Å; L108-M128 HydrophobicContact CD1-CG 4Å; L108-M128 HydrophobicContact CD2-CG 4.11Å; L108-C129 HydrophobicContact CD1-CB 4.01Å; L108-A351 HydrophobicContact CD2-CB 4.08Å; L108-M354 HydrophobicContact CD2-CE 4.25Å; L108-L355 HydrophobicContact CD2-CD1 4.37Å
109E93.8Very high90.6Very high68 Ų6849.5 Ų49.532%0.31827%0.269SS..Hα-helixtrans-59.4-45.6175.8-172.4175.517700111.6E105 Y111 C113 S125E105-E109 VanDerWaalsContact O-CB 3.25Å; E105-E109 WeakPolarHBondContact O-CB 3.42Å; E105-E109 PolarHBondContact O-N 3.06Å; E109-Y111 VanDerWaalsContact C-N 3.35Å; E109-Y111 PolarHBondContact O-N 3.43Å; E109-C113 VanDerWaalsContact O-CB 3.27Å; E109-C113 WeakPolarHBondContact O-CB 3.45Å; E109-C113 PolarHBondContact O-N 2.94Å; E109-S125 VanDerWaalsContact CA-OG 3.27Å; E109-S125 WeakPolarHBondContact CA-OG 3.37Å; E109-S125 PolarHBondContact N-OG 2.77Å
110A92.9Very high91.1Very high33 Ų3350.8 Ų50.827%0.27328%0.276SS..Hα-helixtrans-59.2-45.2173.600000112.2L106 L107 L108 V536 L612L106-A110 WeakPolarHBondContact O-CB 3.45Å; L106-A110 PolarHBondContact O-N 3.29Å; L107-A110 PolarHBondContact O-N 3.46Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-A110 PolarHBondContact O-N 3.27Å; A110-V536 HydrophobicContact CB-CG1 3.73Å; A110-L612 WeakPolarHBondContact CB-O 3.44Å
111Y94.4Very high91.4Very high9 Ų950.9 Ų50.94%0.03527%0.273CS..Hα-helixtrans-63.2-46.6-179.8178.6-90.5000113G14 D15 L107 L108 E109 R115 A347 G350 A351 M354G14-Y111 PolarHBondContact O-OH 3.21Å; D15-Y111 HydrophobicContact CB-CD2 4.46Å; D15-Y111 HydrophobicContact CB-CE2 3.93Å; L107-Y111 WeakPolarHBondContact O-CB 3.47Å; L107-Y111 PolarHBondContact O-N 3.42Å; L108-Y111 PolarHBondContact O-N 3.4Å; E109-Y111 VanDerWaalsContact C-N 3.35Å; E109-Y111 PolarHBondContact O-N 3.43Å; Y111-R115 VanDerWaalsContact CE2-CZ 3.45Å; Y111-R115 VanDerWaalsContact CZ-CZ 3.49Å; Y111-R115 PolarHBondContact O-NH1 3.05Å; Y111-R115 VanDerWaalsContact O-NH1 3.1Å; Y111-R115 PolarHBondContact OH-NE 3.4Å; Y111-R115 VanDerWaalsContact OH-NE 3.08Å; Y111-A347 VanDerWaalsContact CE1-O 3.28Å; Y111-A347 WeakPolarHBondContact CE1-O 3.19Å; Y111-G350 VanDerWaalsContact OH-CA 3.23Å; Y111-G350 WeakPolarHBondContact OH-CA 3.29Å; Y111-A351 HydrophobicContact CD1-CB 3.92Å; Y111-A351 HydrophobicContact CE1-CB 3.72Å; Y111-A351 PolarHBondContact OH-N 3.43Å; Y111-M354 HydrophobicContact CD2-CE 4.17Å; Y111-M354 HydrophobicContact CD2-SD 3.5Å; Y111-M354 VanDerWaalsContact CD2-SD 3.5Å; Y111-M354 HydrophobicContact CE2-CB 4.42Å; Y111-M354 HydrophobicContact CE2-SD 4.22Å; Y111-M354 HydrophobicContact CG-CE 4.22Å; Y111-M354 HydrophobicContact CG-SD 4.07Å
112F95.3Very high91.7Very high0 Ų051.9 Ų51.90%028%0.28CS..Hα-helixtrans-78.1-23.7-176.2-72.7-62.4000113.4L108 G114 R115 V116 H121 I124 S125 M128 A347 L348 A351L108-F112 HydrophobicContact CB-CD2 4.18Å; L108-F112 HydrophobicContact CB-CE2 4.15Å; L108-F112 HydrophobicContact CD2-CE2 3.99Å; L108-F112 WeakPolarHBondContact O-CB 3.4Å; L108-F112 WeakPolarHBondContact O-CD2 3.45Å; L108-F112 PolarHBondContact O-N 3.44Å; F112-G114 PolarHBondContact O-N 3.43Å; F112-G114 VanDerWaalsContact O-N 3.08Å; F112-R115 PolarHBondContact O-N 2.9Å; F112-V116 HydrophobicContact CB-CB 4.42Å; F112-V116 HydrophobicContact CB-CG2 4.21Å; F112-V116 HydrophobicContact CD1-CG2 3.67Å; F112-V116 HydrophobicContact CE1-CG2 4.49Å; F112-V116 HydrophobicContact CG-CG2 4.3Å; F112-V116 PolarHBondContact O-N 2.77Å; F112-H121 HydrophobicContact CB-CB 4.34Å; F112-I124 HydrophobicContact CD1-CG2 4.14Å; F112-I124 HydrophobicContact CD2-CG2 4.46Å; F112-I124 HydrophobicContact CE1-CG2 3.98Å; F112-I124 HydrophobicContact CE2-CG2 4.32Å; F112-I124 HydrophobicContact CG-CG2 4.39Å; F112-I124 HydrophobicContact CZ-CG2 4.09Å; F112-S125 WeakPolarHBondContact CD2-OG 3.41Å; F112-M128 HydrophobicContact CE2-CB 4Å; F112-M128 HydrophobicContact CE2-CG 4.23Å; F112-M128 HydrophobicContact CZ-CB 4.25Å; F112-M128 HydrophobicContact CZ-CG 4.26Å; F112-A347 HydrophobicContact CD1-CB 3.97Å; F112-A347 HydrophobicContact CE1-CB 3.71Å; F112-L348 HydrophobicContact CE1-CG 4.48Å; F112-L348 HydrophobicContact CZ-CD2 3.91Å; F112-L348 HydrophobicContact CZ-CG 4.34Å; F112-A351 HydrophobicContact CE1-CB 4.41Å; F112-A351 HydrophobicContact CE2-CB 4.38Å; F112-A351 HydrophobicContact CZ-CB 3.79Å
113C90.2Very high92Very high74 Ų7452.2 Ų52.250%0.528%0.275SS..Hα-helixtrans-54.5-30.4179.3-174.20000113.8E109E109-C113 VanDerWaalsContact O-CB 3.27Å; E109-C113 WeakPolarHBondContact O-CB 3.45Å; E109-C113 PolarHBondContact O-N 2.94Å
114G86.8Confident92.3Very high53 Ų5352 Ų5255%0.54627%0.273SS..THydrogen-bonded Turntrans-93.1-1.6177.400000115.8F112F112-G114 PolarHBondContact O-N 3.43Å; F112-G114 VanDerWaalsContact O-N 3.08Å
115R91.3Very high92.5Very high65 Ų6552.2 Ų52.225%0.24528%0.275CS..THydrogen-bonded Turntrans-129-31.3-167.2-70173.9169.573.57.7114.2D15 Y111 F112 Q343 A347D15-R115 IonicContact OD1-CZ 2.64Å; D15-R115 IonicContact OD1-NH1 3.7Å; D15-R115 PolarHBondContact OD1-NH1 3.14Å; D15-R115 IonicContact OD1-NH2 2.89Å; D15-R115 PolarHBondContact OD1-NH2 2.87Å; Y111-R115 VanDerWaalsContact CE2-CZ 3.45Å; Y111-R115 VanDerWaalsContact CZ-CZ 3.49Å; Y111-R115 PolarHBondContact O-NH1 3.05Å; Y111-R115 VanDerWaalsContact O-NH1 3.1Å; Y111-R115 PolarHBondContact OH-NE 3.4Å; Y111-R115 VanDerWaalsContact OH-NE 3.08Å; F112-R115 PolarHBondContact O-N 2.9Å; R115-Q343 PolarHBondContact O-NE2 2.88Å; R115-A347 HydrophobicContact CB-CB 4.21Å
116V93.3Very high92.6Very high8 Ų853.5 Ų53.55%0.04828%0.281CS..SBendtrans-112.1147.2-179176.30000108F112 N120 H121 I124 A347F112-V116 HydrophobicContact CB-CB 4.42Å; F112-V116 HydrophobicContact CB-CG2 4.21Å; F112-V116 HydrophobicContact CD1-CG2 3.67Å; F112-V116 HydrophobicContact CE1-CG2 4.49Å; F112-V116 HydrophobicContact CG-CG2 4.3Å; F112-V116 PolarHBondContact O-N 2.77Å; V116-N120 HydrophobicContact CG1-CB 3.79Å; V116-H121 HydrophobicContact CB-CB 4.05Å; V116-H121 HydrophobicContact CG1-CB 4.13Å; V116-I124 HydrophobicContact CG1-CB 4.46Å; V116-I124 HydrophobicContact CG1-CG1 4.09Å; V116-I124 HydrophobicContact CG2-CG2 4.35Å; V116-A347 HydrophobicContact CG2-CB 4.27Å
117G89.1Confident92.8Very high38 Ų3851.7 Ų51.739%0.39227%0.271SS..  trans-55.4143.7176.500000111.8N119 N120 H121G117-N119 PolarHBondContact O-N 2.92Å; G117-N120 PolarHBondContact O-N 3.02Å; G117-H121 PolarHBondContact O-N 2.96Å
118R87.9Confident92.8Very high220 Ų22051.6 Ų51.683%0.8327%0.271SS*.THydrogen-bonded Turntrans-53.8-27.7-176.4-70.7-175.3-177.8175.72.2114.3N120 H121R118-N120 VanDerWaalsContact C-N 3.34Å; R118-H121 PolarHBondContact O-CD2 2.75Å; R118-H121 PolarHBondContact O-NE2 2.81Å
119N89.6Confident92.8Very high154 Ų15451.6 Ų51.682%0.82427%0.271SS*.THydrogen-bonded Turntrans-77.5-24.3-180-60.8-12.3000112.4G117G117-N119 PolarHBondContact O-N 2.92Å
120N92Very high92.8Very high44 Ų4450.9 Ų50.924%0.23527%0.269CS..THydrogen-bonded Turntrans-111.1-20.5-170.6-59.9-15.4000112.8V116 G117 R118 K122 F123 I124 V164V116-N120 HydrophobicContact CG1-CB 3.79Å; G117-N120 PolarHBondContact O-N 3.02Å; R118-N120 VanDerWaalsContact C-N 3.34Å; N120-K122 VanDerWaalsContact C-N 3.34Å; N120-K122 PolarHBondContact O-N 3.17Å; N120-F123 PolarHBondContact O-N 3.3Å; N120-F123 VanDerWaalsContact O-N 3.09Å; N120-I124 HydrophobicContact CB-CG1 4.44Å; N120-I124 WeakPolarHBondContact O-CG1 3.38Å; N120-I124 PolarHBondContact O-N 3.25Å; N120-V164 HydrophobicContact CB-CG1 4.2Å; N120-V164 WeakPolarHBondContact ND2-CG2 3.47Å
121H91.8Very high92.8Very high33 Ų3349.5 Ų49.515%0.15326%0.257CS..Hα-helixtrans-55.3-44.2-170.873143.5000113.2F112 V116 G117 R118 F123 I124 S125F112-H121 HydrophobicContact CB-CB 4.34Å; V116-H121 HydrophobicContact CB-CB 4.05Å; V116-H121 HydrophobicContact CG1-CB 4.13Å; G117-H121 PolarHBondContact O-N 2.96Å; R118-H121 PolarHBondContact O-CD2 2.75Å; R118-H121 PolarHBondContact O-NE2 2.81Å; H121-F123 PolarHBondContact O-N 3.1Å; H121-I124 PolarHBondContact O-N 3.22Å; H121-S125 WeakPolarHBondContact O-CB 3.37Å; H121-S125 PolarHBondContact O-N 3.42Å; H121-S125 PolarHBondContact O-OG 2.9Å
122K93.1Very high92.5Very high122 Ų12249.8 Ų49.853%0.5326%0.258SS..Hα-helixtrans-62.8-44178.1-174.1175.6-177.7177.70112.1N120 S125 Q126N120-K122 VanDerWaalsContact C-N 3.34Å; N120-K122 PolarHBondContact O-N 3.17Å; K122-S125 PolarHBondContact O-N 2.86Å; K122-Q126 WeakPolarHBondContact O-CG 3.31Å; K122-Q126 PolarHBondContact O-N 2.62Å
123F95.4Very high92.2Very high66 Ų6652.2 Ų52.229%0.28927%0.269SS..Hα-helixtrans-63.6-46177169.8-98.7000111.4N120 H121 S125 Q126 L127 V164N120-F123 PolarHBondContact O-N 3.3Å; N120-F123 VanDerWaalsContact O-N 3.09Å; H121-F123 PolarHBondContact O-N 3.1Å; F123-S125 PolarHBondContact O-N 3.33Å; F123-Q126 PolarHBondContact O-N 3.21Å; F123-L127 HydrophobicContact CE1-CD2 4.47Å; F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 PolarHBondContact O-N 3.05Å; F123-V164 HydrophobicContact CD1-CG1 4.16Å; F123-V164 HydrophobicContact CE1-CG1 4.19Å; F123-V164 WeakPolarHBondContact CE1-O 3.34Å
124I96.2Very high92.2Very high0 Ų053 Ų530%026%0.264CS..Hα-helixtrans-65.1-38.5177.5-64.2-62.2000111.5F112 V116 N120 H121 Q126 L127 M128 V164 L348F112-I124 HydrophobicContact CD1-CG2 4.14Å; F112-I124 HydrophobicContact CD2-CG2 4.46Å; F112-I124 HydrophobicContact CE1-CG2 3.98Å; F112-I124 HydrophobicContact CE2-CG2 4.32Å; F112-I124 HydrophobicContact CG-CG2 4.39Å; F112-I124 HydrophobicContact CZ-CG2 4.09Å; V116-I124 HydrophobicContact CG1-CB 4.46Å; V116-I124 HydrophobicContact CG1-CG1 4.09Å; V116-I124 HydrophobicContact CG2-CG2 4.35Å; N120-I124 HydrophobicContact CB-CG1 4.44Å; N120-I124 WeakPolarHBondContact O-CG1 3.38Å; N120-I124 PolarHBondContact O-N 3.25Å; H121-I124 PolarHBondContact O-N 3.22Å; I124-Q126 VanDerWaalsContact C-N 3.34Å; I124-Q126 PolarHBondContact O-N 3.05Å; I124-L127 HydrophobicContact CD1-CD2 4.38Å; I124-L127 PolarHBondContact O-N 2.92Å; I124-M128 WeakPolarHBondContact O-CB 3.37Å; I124-M128 PolarHBondContact O-N 3.07Å; I124-V164 HydrophobicContact CD1-CG1 3.92Å; I124-V164 HydrophobicContact CG1-CG1 4.44Å; I124-L348 HydrophobicContact CG2-CD2 4.31Å
125S95.3Very high92.2Very high4 Ų450.6 Ų50.63%0.02824%0.239CC..Hα-helixtrans-59.5-44.5173.1-62.40000111.9L108 E109 F112 H121 K122 F123 M128 C129L108-S125 PolarHBondContact O-OG 2.89Å; E109-S125 VanDerWaalsContact CA-OG 3.27Å; E109-S125 WeakPolarHBondContact CA-OG 3.37Å; E109-S125 PolarHBondContact N-OG 2.77Å; F112-S125 WeakPolarHBondContact CD2-OG 3.41Å; H121-S125 WeakPolarHBondContact O-CB 3.37Å; H121-S125 PolarHBondContact O-N 3.42Å; H121-S125 PolarHBondContact O-OG 2.9Å; K122-S125 PolarHBondContact O-N 2.86Å; F123-S125 PolarHBondContact O-N 3.33Å; S125-M128 PolarHBondContact O-N 3.07Å; S125-C129 WeakPolarHBondContact O-CB 3.34Å; S125-C129 PolarHBondContact O-N 3.41Å
126Q95.4Very high91.5Very high81 Ų8148 Ų4838%0.37923%0.23SC..Hα-helixtrans-66.4-45.4177.1-73.6175-24.700111.6K122 F123 I124 M128 C129 D130K122-Q126 WeakPolarHBondContact O-CG 3.31Å; K122-Q126 PolarHBondContact O-N 2.62Å; F123-Q126 PolarHBondContact O-N 3.21Å; I124-Q126 VanDerWaalsContact C-N 3.34Å; I124-Q126 PolarHBondContact O-N 3.05Å; Q126-M128 VanDerWaalsContact C-N 3.3Å; Q126-M128 PolarHBondContact O-N 3.46Å; Q126-C129 WeakPolarHBondContact O-CB 3.27Å; Q126-C129 PolarHBondContact O-N 3.47Å; Q126-D130 WeakPolarHBondContact O-CB 3.43Å; Q126-D130 PolarHBondContact O-N 2.94Å
127L96.3Very high90.2Very high12 Ų1250.6 Ų50.66%0.06325%0.245CC..Hα-helixtrans-57.4-44.3176-175.869.2000111.3F123 I124 D130 Y131 I169 I331 L333F123-L127 HydrophobicContact CE1-CD2 4.47Å; F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 PolarHBondContact O-N 3.05Å; I124-L127 HydrophobicContact CD1-CD2 4.38Å; I124-L127 PolarHBondContact O-N 2.92Å; L127-D130 PolarHBondContact O-N 2.76Å; L127-Y131 WeakPolarHBondContact O-CB 3.47Å; L127-Y131 PolarHBondContact O-N 3.26Å; L127-I169 HydrophobicContact CD1-CD1 4.01Å; L127-I169 HydrophobicContact CD1-CG1 3.82Å; L127-I331 HydrophobicContact CD2-CG2 4.21Å; L127-L333 HydrophobicContact CD2-CD2 3.94Å
128M94.6Very high88.5Confident0 Ų052.1 Ų52.10%025%0.249CC..Hα-helixtrans-67.2-40.3177.5-174.656.1-170.200112.2L108 F112 I124 S125 Q126 Y131 F132 L348 L352 L355L108-M128 HydrophobicContact CD1-CB 4.13Å; L108-M128 HydrophobicContact CD1-CG 4Å; L108-M128 HydrophobicContact CD2-CG 4.11Å; F112-M128 HydrophobicContact CE2-CB 4Å; F112-M128 HydrophobicContact CE2-CG 4.23Å; F112-M128 HydrophobicContact CZ-CB 4.25Å; F112-M128 HydrophobicContact CZ-CG 4.26Å; I124-M128 WeakPolarHBondContact O-CB 3.37Å; I124-M128 PolarHBondContact O-N 3.07Å; S125-M128 PolarHBondContact O-N 3.07Å; Q126-M128 VanDerWaalsContact C-N 3.3Å; Q126-M128 PolarHBondContact O-N 3.46Å; M128-Y131 PolarHBondContact O-N 3.11Å; M128-Y131 HydrophobicContact SD-CD1 4.25Å; M128-F132 WeakPolarHBondContact O-CB 3.41Å; M128-F132 PolarHBondContact O-N 3.22Å; M128-L348 HydrophobicContact CB-CD2 3.64Å; M128-L348 HydrophobicContact CG-CD2 3.78Å; M128-L348 HydrophobicContact SD-CD2 3.39Å; M128-L348 WeakPolarHBondContact SD-CD2 3.32Å; M128-L352 HydrophobicContact CE-CD1 4.44Å; M128-L352 HydrophobicContact CE-CD2 3.43Å; M128-L352 VanDerWaalsContact CE-CD2 3.43Å; M128-L352 HydrophobicContact CE-CG 3.55Å; M128-L355 HydrophobicContact CE-CD1 4.39Å
129C93.4Very high87.1Confident0 Ų050 Ų500%025%0.246CC..Hα-helixtrans-61.6-48174.7-1710000111.1E105 L108 S125 Q126 Y131 F132 F133E105-C129 HydrophobicContact CG-CB 4.03Å; E105-C129 VanDerWaalsContact CG-SG 3.57Å; L108-C129 HydrophobicContact CD1-CB 4.01Å; S125-C129 WeakPolarHBondContact O-CB 3.34Å; S125-C129 PolarHBondContact O-N 3.41Å; Q126-C129 WeakPolarHBondContact O-CB 3.27Å; Q126-C129 PolarHBondContact O-N 3.47Å; C129-Y131 VanDerWaalsContact C-N 3.33Å; C129-Y131 PolarHBondContact O-N 3.1Å; C129-F132 WeakPolarHBondContact O-CB 3.15Å; C129-F132 PolarHBondContact O-N 3.16Å; C129-F133 VanDerWaalsContact O-CD2 3.3Å; C129-F133 WeakPolarHBondContact O-CD2 3.46Å; C129-F133 PolarHBondContact O-N 3.25Å
130D94.1Very high85.5Confident53 Ų5343.3 Ų43.328%0.28321%0.211SC..Hα-helixtrans-61.4-41.2176.8-79.1-32.2000112.3R101 Q126 L127 F132 F133 K134 I169R101-D130 IonicContact CZ-OD1 3.43Å; R101-D130 IonicContact NH1-OD1 3.7Å; R101-D130 PolarHBondContact NH1-OD1 2.98Å; R101-D130 IonicContact NH2-OD1 3.82Å; R101-D130 PolarHBondContact NH2-OD1 3Å; R101-D130 IonicContact NH2-OD2 3.22Å; Q126-D130 WeakPolarHBondContact O-CB 3.43Å; Q126-D130 PolarHBondContact O-N 2.94Å; L127-D130 PolarHBondContact O-N 2.76Å; D130-F132 VanDerWaalsContact C-N 3.31Å; D130-F132 PolarHBondContact O-N 2.93Å; D130-F133 PolarHBondContact O-N 3.41Å; D130-K134 WeakPolarHBondContact O-CB 3.25Å; D130-K134 VanDerWaalsContact O-CG 3.28Å; D130-K134 WeakPolarHBondContact O-CG 3.35Å; D130-K134 PolarHBondContact O-N 3.48Å; D130-I169 HydrophobicContact CB-CD1 3.54Å
131Y93Very high84.1Confident3 Ų343.5 Ų43.51%0.01222%0.224CC..Hα-helixtrans-60.8-46.4176.2177-107.1000110.6L127 M128 C129 F133 K134 C135 V148 I169 H329 I331L127-Y131 WeakPolarHBondContact O-CB 3.47Å; L127-Y131 PolarHBondContact O-N 3.26Å; M128-Y131 PolarHBondContact O-N 3.11Å; M128-Y131 HydrophobicContact SD-CD1 4.25Å; C129-Y131 VanDerWaalsContact C-N 3.33Å; C129-Y131 PolarHBondContact O-N 3.1Å; Y131-F133 PolarHBondContact O-N 2.93Å; Y131-K134 PolarHBondContact O-N 2.74Å; Y131-C135 WeakPolarHBondContact CE2-SG 3.46Å; Y131-C135 WeakPolarHBondContact O-CB 3.48Å; Y131-C135 PolarHBondContact O-N 3.36Å; Y131-C135 PolarHBondContact O-SG 3.06Å; Y131-V148 HydrophobicContact CE1-CG1 4.18Å; Y131-I169 HydrophobicContact CD2-CG1 4.3Å; Y131-I169 HydrophobicContact CD2-CG2 4.11Å; Y131-H329 HydrophobicContact CE2-CB 4.23Å; Y131-H329 WeakPolarHBondContact CE2-O 3.4Å; Y131-I331 HydrophobicContact CD1-CD1 3.6Å; Y131-I331 HydrophobicContact CD1-CG1 4.16Å; Y131-I331 HydrophobicContact CD2-CD1 3.64Å; Y131-I331 HydrophobicContact CD2-CG1 3.24Å; Y131-I331 HydrophobicContact CE1-CD1 3.87Å; Y131-I331 HydrophobicContact CE1-CG1 4.27Å; Y131-I331 HydrophobicContact CE2-CD1 3.91Å; Y131-I331 HydrophobicContact CE2-CG1 3.36Å; Y131-I331 HydrophobicContact CG-CD1 3.45Å; Y131-I331 VanDerWaalsContact CG-CD1 3.45Å; Y131-I331 HydrophobicContact CG-CG1 3.64Å
132F89.2Confident82.9Confident15 Ų1544.6 Ų44.67%0.06623%0.23CC..Hα-helixtrans-56.9-50.3178.2-174.7-89.3000112L99 L104 M128 C129 D130 K134 C135 M136 F145 L355 F359L99-F132 HydrophobicContact CD1-CD1 4.03Å; L99-F132 HydrophobicContact CD1-CE1 3.18Å; L99-F132 HydrophobicContact CD1-CE2 4.42Å; L99-F132 HydrophobicContact CD1-CZ 3.41Å; L99-F132 VanDerWaalsContact CD1-CZ 3.41Å; L99-F132 HydrophobicContact CG-CE1 4.46Å; L104-F132 HydrophobicContact CD2-CB 4.29Å; L104-F132 HydrophobicContact CD2-CD1 3.78Å; L104-F132 HydrophobicContact CD2-CG 4.08Å; M128-F132 WeakPolarHBondContact O-CB 3.41Å; M128-F132 PolarHBondContact O-N 3.22Å; C129-F132 WeakPolarHBondContact O-CB 3.15Å; C129-F132 PolarHBondContact O-N 3.16Å; D130-F132 VanDerWaalsContact C-N 3.31Å; D130-F132 PolarHBondContact O-N 2.93Å; F132-K134 VanDerWaalsContact C-N 3.32Å; F132-K134 PolarHBondContact O-N 2.81Å; F132-C135 PolarHBondContact O-N 3.27Å; F132-M136 HydrophobicContact CD1-CG 4.46Å; F132-M136 HydrophobicContact CD2-CG 3.93Å; F132-M136 HydrophobicContact CE1-CB 4.13Å; F132-M136 HydrophobicContact CE1-CG 4.13Å; F132-M136 HydrophobicContact CE2-CB 4.41Å; F132-M136 HydrophobicContact CE2-CE 4.05Å; F132-M136 HydrophobicContact CE2-CG 3.57Å; F132-M136 HydrophobicContact CE2-SD 4.44Å; F132-M136 HydrophobicContact CG-CG 4.35Å; F132-M136 HydrophobicContact CZ-CB 4.04Å; F132-M136 HydrophobicContact CZ-CE 4.18Å; F132-M136 HydrophobicContact CZ-CG 3.69Å; F132-M136 WeakPolarHBondContact O-CB 3.33Å; F132-M136 WeakPolarHBondContact O-CG 3.36Å; F132-M136 PolarHBondContact O-N 3.34Å; F132-F145 HydrophobicContact CD2-CE1 4.3Å; F132-F145 HydrophobicContact CD2-CZ 4.47Å; F132-F145 HydrophobicContact CE2-CD1 4.46Å; F132-F145 AromaticContact CE2-CE1 3.37Å; F132-F145 HydrophobicContact CE2-CE1 3.37Å; F132-F145 HydrophobicContact CE2-CE2 4.25Å; F132-F145 AromaticContact CE2-CZ 3.24Å; F132-F145 HydrophobicContact CE2-CZ 3.24Å; F132-F145 HydrophobicContact CZ-CE1 4.11Å; F132-F145 HydrophobicContact CZ-CE2 4.29Å; F132-F145 AromaticContact CZ-CZ 3.48Å; F132-F145 HydrophobicContact CZ-CZ 3.48Å; F132-F145 VanDerWaalsContact CZ-CZ 3.48Å; F132-L355 HydrophobicContact CD2-CD1 4.33Å; F132-F359 HydrophobicContact CZ-CZ 4.39Å
133F88.3Confident82Confident51 Ų5140.6 Ų40.622%0.22422%0.224CC..Hα-helixtrans-71.4-23.3179.9-78.9-76.6000114.1L99 R101 L104 C129 D130 Y131L99-F133 HydrophobicContact CB-CZ 4.34Å; R101-F133 HydrophobicContact CB-CE2 3.76Å; R101-F133 HydrophobicContact CB-CZ 3.8Å; R101-F133 HydrophobicContact CG-CD2 4.34Å; R101-F133 HydrophobicContact CG-CE2 3.77Å; R101-F133 HydrophobicContact CG-CZ 4.33Å; L104-F133 HydrophobicContact CD2-CD2 4.46Å; L104-F133 HydrophobicContact CD2-CE2 3.82Å; L104-F133 HydrophobicContact CD2-CZ 4.48Å; C129-F133 VanDerWaalsContact O-CD2 3.3Å; C129-F133 WeakPolarHBondContact O-CD2 3.46Å; C129-F133 PolarHBondContact O-N 3.25Å; D130-F133 PolarHBondContact O-N 3.41Å; Y131-F133 PolarHBondContact O-N 2.93Å
134K90.3Very high81.2Confident92 Ų9238.2 Ų38.240%0.421%0.214SC..Hα-helixtrans-78.2-37.1173.5-77.5179.5-179.9178.10112.6D130 Y131 F132 I169 I327 H329D130-K134 WeakPolarHBondContact O-CB 3.25Å; D130-K134 VanDerWaalsContact O-CG 3.28Å; D130-K134 WeakPolarHBondContact O-CG 3.35Å; D130-K134 PolarHBondContact O-N 3.48Å; Y131-K134 PolarHBondContact O-N 2.74Å; F132-K134 VanDerWaalsContact C-N 3.32Å; F132-K134 PolarHBondContact O-N 2.81Å; K134-I169 HydrophobicContact CD-CB 4.29Å; K134-I169 HydrophobicContact CD-CD1 4.11Å; K134-I169 HydrophobicContact CD-CG2 3.82Å; K134-I327 WeakPolarHBondContact O-CB 3.44Å; K134-H329 PolarHBondContact O-CE1 3.4Å; K134-H329 VanDerWaalsContact O-CE1 3.28Å; K134-H329 PolarHBondContact O-ND1 2.97Å
135C86.3Confident80.4Confident2 Ų238.4 Ų38.41%0.01422%0.215CC..Hα-helixtrans-84.6-27.5-177.1-72.70000113.8Y131 F132 F326 I327Y131-C135 WeakPolarHBondContact CE2-SG 3.46Å; Y131-C135 WeakPolarHBondContact O-CB 3.48Å; Y131-C135 PolarHBondContact O-N 3.36Å; Y131-C135 PolarHBondContact O-SG 3.06Å; F132-C135 PolarHBondContact O-N 3.27Å; C135-F326 HydrophobicContact CB-CD2 4.13Å; C135-F326 HydrophobicContact CB-CE2 3.68Å; C135-I327 WeakPolarHBondContact CA-O 3.17Å; C135-I327 PolarHBondContact O-N 3.27Å
136M77.5Confident79.9Confident11 Ų1141.2 Ų41.25%0.05423%0.228CC..BIsolated β-bridgetrans-111.7122.3-171.9-52.7-70.5-83.600109.5F132 V144 F145F132-M136 HydrophobicContact CD1-CG 4.46Å; F132-M136 HydrophobicContact CD2-CG 3.93Å; F132-M136 HydrophobicContact CE1-CB 4.13Å; F132-M136 HydrophobicContact CE1-CG 4.13Å; F132-M136 HydrophobicContact CE2-CB 4.41Å; F132-M136 HydrophobicContact CE2-CE 4.05Å; F132-M136 HydrophobicContact CE2-CG 3.57Å; F132-M136 HydrophobicContact CE2-SD 4.44Å; F132-M136 HydrophobicContact CG-CG 4.35Å; F132-M136 HydrophobicContact CZ-CB 4.04Å; F132-M136 HydrophobicContact CZ-CE 4.18Å; F132-M136 HydrophobicContact CZ-CG 3.69Å; F132-M136 WeakPolarHBondContact O-CB 3.33Å; F132-M136 WeakPolarHBondContact O-CG 3.36Å; F132-M136 PolarHBondContact O-N 3.34Å; M136-V144 HydrophobicContact CE-CB 3.76Å; M136-V144 HydrophobicContact CE-CG1 3.79Å; M136-V144 HydrophobicContact SD-CB 3.89Å; M136-V144 HydrophobicContact SD-CG1 3.2Å; M136-V144 WeakPolarHBondContact SD-CG1 3.45Å; M136-F145 HydrophobicContact CE-CD1 4.49Å; M136-F145 HydrophobicContact CE-CD2 3.63Å; M136-F145 HydrophobicContact CE-CE1 4.38Å; M136-F145 HydrophobicContact CE-CE2 3.49Å; M136-F145 VanDerWaalsContact CE-CE2 3.49Å; M136-F145 HydrophobicContact CE-CG 4.15Å; M136-F145 HydrophobicContact CE-CZ 3.9Å
137T66.5Low79.4Confident61 Ų6137.6 Ų37.637%0.37421%0.211SC..  trans-64.7137.1159.256.70000107.8K139 S140 A325 I327T137-K139 PolarHBondContact O-N 3.39Å; T137-S140 VanDerWaalsContact O-CB 3.23Å; T137-S140 WeakPolarHBondContact O-CB 3.4Å; T137-S140 PolarHBondContact O-N 2.88Å; T137-A325 PolarHBondContact OG1-O 3.39Å; T137-I327 HydrophobicContact CG2-CD1 3.98Å; T137-I327 HydrophobicContact CG2-CG1 4.39Å
138C51.5Low79Confident71 Ų7137.2 Ų37.248%0.4821%0.209SC..THydrogen-bonded Turntrans-59.9-2-173.3-67.80000115.1T98T98-C138 HydrophobicContact CG2-CB 4.46Å
139K58.4Low78.7Confident175 Ų17538 Ų3876%0.76121%0.213SC*.THydrogen-bonded Turntrans-107.12.6178.5-58.3-175.6178.2-175.90113.1T137 G141T137-K139 PolarHBondContact O-N 3.39Å; K139-G141 PolarHBondContact O-N 3.4Å
140S56Low78.4Confident13 Ų1342.5 Ų42.59%0.09124%0.237CC..  trans-73128.3-169.8-179.90000112.4T137 V144T137-S140 VanDerWaalsContact O-CB 3.23Å; T137-S140 WeakPolarHBondContact O-CB 3.4Å; T137-S140 PolarHBondContact O-N 2.88Å; S140-V144 VanDerWaalsContact OG-CB 3.23Å; S140-V144 WeakPolarHBondContact OG-CB 3.47Å; S140-V144 WeakPolarHBondContact OG-CG2 3.4Å
141G62.7Low78.2Confident48 Ų4840.7 Ų40.750%0.49523%0.227SC..  trans-73.3-178.7176.500000114.4K139 G143 V144K139-G141 PolarHBondContact O-N 3.4Å; G141-G143 PolarHBondContact O-N 3.02Å; G141-G143 VanDerWaalsContact O-N 3.15Å; G141-V144 PolarHBondContact O-N 3.47Å
142I68.1Low78.1Confident57 Ų5740.8 Ų40.829%0.29223%0.228SC..Hα-helixtrans-53.9-34.4-178.7-64.7165.1000112.1V144 F145 E146 F359 K360I142-V144 PolarHBondContact O-N 2.87Å; I142-V144 VanDerWaalsContact O-N 3.12Å; I142-F145 WeakPolarHBondContact O-CB 3.14Å; I142-F145 PolarHBondContact O-N 2.92Å; I142-E146 HydrophobicContact CG2-CG 4.26Å; I142-E146 WeakPolarHBondContact O-CG 3.21Å; I142-E146 PolarHBondContact O-N 3.12Å; I142-F359 HydrophobicContact CG1-CB 4.21Å; I142-K360 HydrophobicContact CD1-CG 4.41Å
143G73.1Confident78.2Confident38 Ų3844.2 Ų44.239%0.39225%0.25SC..Hα-helixtrans-60.4-24.2-175.200000115.6G141 L147G141-G143 PolarHBondContact O-N 3.02Å; G141-G143 VanDerWaalsContact O-N 3.15Å; G143-L147 PolarHBondContact O-N 3.07Å
144V79.8Confident78.4Confident15 Ų1543.2 Ų43.29%0.09125%0.246CC..Hα-helixtrans-80.3-31.9174.2-176.10000111.7M136 S140 G141 I142 E146 L147 V148 A325 F326M136-V144 HydrophobicContact CE-CB 3.76Å; M136-V144 HydrophobicContact CE-CG1 3.79Å; M136-V144 HydrophobicContact SD-CB 3.89Å; M136-V144 HydrophobicContact SD-CG1 3.2Å; M136-V144 WeakPolarHBondContact SD-CG1 3.45Å; S140-V144 VanDerWaalsContact OG-CB 3.23Å; S140-V144 WeakPolarHBondContact OG-CB 3.47Å; S140-V144 WeakPolarHBondContact OG-CG2 3.4Å; G141-V144 PolarHBondContact O-N 3.47Å; I142-V144 PolarHBondContact O-N 2.87Å; I142-V144 VanDerWaalsContact O-N 3.12Å; V144-E146 PolarHBondContact O-N 3.3Å; V144-L147 PolarHBondContact O-N 3.43Å; V144-V148 HydrophobicContact CG1-CG2 4.23Å; V144-V148 WeakPolarHBondContact O-CG2 3.46Å; V144-V148 PolarHBondContact O-N 3.18Å; V144-A325 HydrophobicContact CG2-CB 3.98Å; V144-F326 HydrophobicContact CG1-CB 3.69Å; V144-F326 HydrophobicContact CG1-CD2 3.7Å; V144-F326 HydrophobicContact CG1-CG 4.12Å; V144-F326 HydrophobicContact CG2-CB 4.47Å
145F79.8Confident78.6Confident4 Ų438.8 Ų38.82%0.01823%0.227CC..Hα-helixtrans-61.8-37.5170.8-76.2-86.6000111.6F132 M136 I142 V148 D149 L355 R356 F359F132-F145 HydrophobicContact CD2-CE1 4.3Å; F132-F145 HydrophobicContact CD2-CZ 4.47Å; F132-F145 HydrophobicContact CE2-CD1 4.46Å; F132-F145 AromaticContact CE2-CE1 3.37Å; F132-F145 HydrophobicContact CE2-CE1 3.37Å; F132-F145 HydrophobicContact CE2-CE2 4.25Å; F132-F145 AromaticContact CE2-CZ 3.24Å; F132-F145 HydrophobicContact CE2-CZ 3.24Å; F132-F145 HydrophobicContact CZ-CE1 4.11Å; F132-F145 HydrophobicContact CZ-CE2 4.29Å; F132-F145 AromaticContact CZ-CZ 3.48Å; F132-F145 HydrophobicContact CZ-CZ 3.48Å; F132-F145 VanDerWaalsContact CZ-CZ 3.48Å; M136-F145 HydrophobicContact CE-CD1 4.49Å; M136-F145 HydrophobicContact CE-CD2 3.63Å; M136-F145 HydrophobicContact CE-CE1 4.38Å; M136-F145 HydrophobicContact CE-CE2 3.49Å; M136-F145 VanDerWaalsContact CE-CE2 3.49Å; M136-F145 HydrophobicContact CE-CG 4.15Å; M136-F145 HydrophobicContact CE-CZ 3.9Å; I142-F145 WeakPolarHBondContact O-CB 3.14Å; I142-F145 PolarHBondContact O-N 2.92Å; F145-V148 PolarHBondContact O-N 2.79Å; F145-D149 WeakPolarHBondContact O-CB 3.34Å; F145-D149 PolarHBondContact O-N 2.87Å; F145-L355 HydrophobicContact CD1-CB 4.44Å; F145-L355 HydrophobicContact CE1-CB 3.78Å; F145-R356 HydrophobicContact CB-CB 4.16Å; F145-R356 HydrophobicContact CB-CG 4.08Å; F145-R356 HydrophobicContact CD1-CB 4.39Å; F145-F359 HydrophobicContact CD2-CD2 4.45Å; F145-F359 HydrophobicContact CD2-CG 4.34Å; F145-F359 HydrophobicContact CE1-CD2 4.25Å; F145-F359 HydrophobicContact CE1-CE2 4.15Å; F145-F359 HydrophobicContact CE2-CB 4.48Å; F145-F359 AromaticContact CE2-CD1 3.79Å; F145-F359 HydrophobicContact CE2-CD1 3.79Å; F145-F359 AromaticContact CE2-CD2 3.58Å; F145-F359 HydrophobicContact CE2-CD2 3.58Å; F145-F359 AromaticContact CE2-CE1 3.78Å; F145-F359 HydrophobicContact CE2-CE1 3.78Å; F145-F359 AromaticContact CE2-CE2 3.58Å; F145-F359 HydrophobicContact CE2-CE2 3.58Å; F145-F359 AromaticContact CE2-CG 3.67Å; F145-F359 HydrophobicContact CE2-CG 3.67Å; F145-F359 AromaticContact CE2-CZ 3.65Å; F145-F359 HydrophobicContact CE2-CZ 3.65Å; F145-F359 HydrophobicContact CZ-CD1 4.41Å; F145-F359 AromaticContact CZ-CD2 3.44Å; F145-F359 HydrophobicContact CZ-CD2 3.44Å; F145-F359 VanDerWaalsContact CZ-CD2 3.44Å; F145-F359 HydrophobicContact CZ-CE1 4.18Å; F145-F359 AromaticContact CZ-CE2 3.17Å; F145-F359 HydrophobicContact CZ-CE2 3.17Å; F145-F359 HydrophobicContact CZ-CG 4.05Å; F145-F359 AromaticContact CZ-CZ 3.56Å; F145-F359 HydrophobicContact CZ-CZ 3.56Å
146E83Confident79Confident63 Ų6339 Ų3929%0.29423%0.228SC..Hα-helixtrans-65.5-45.4176.6-50.9-165.7140.400110.9I142 V144 V148 D149 D150 R356I142-E146 HydrophobicContact CG2-CG 4.26Å; I142-E146 WeakPolarHBondContact O-CG 3.21Å; I142-E146 PolarHBondContact O-N 3.12Å; V144-E146 PolarHBondContact O-N 3.3Å; E146-V148 VanDerWaalsContact C-N 3.34Å; E146-V148 PolarHBondContact O-N 3.06Å; E146-D149 PolarHBondContact O-N 3.15Å; E146-D150 WeakPolarHBondContact O-CB 3.45Å; E146-D150 PolarHBondContact O-N 3.41Å; E146-R356 IonicContact OE1-CZ 3.42Å; E146-R356 IonicContact OE1-NE 3.58Å; E146-R356 IonicContact OE1-NH2 3.83Å; E146-R356 PolarHBondContact OE1-NH2 2.9Å
147L85.8Confident79.8Confident5 Ų538.7 Ų38.73%0.02623%0.226CC..Hα-helixtrans-57.3-46.5175.4-176.6154.9000112G143 V144 H151 L275 R278 F326G143-L147 PolarHBondContact O-N 3.07Å; V144-L147 PolarHBondContact O-N 3.43Å; L147-H151 WeakPolarHBondContact O-CB 3.18Å; L147-H151 PolarHBondContact O-CD2 2.61Å; L147-H151 PolarHBondContact O-N 3.31Å; L147-H151 VanDerWaalsContact O-N 3.11Å; L147-L275 HydrophobicContact CD2-CD1 3.92Å; L147-L275 HydrophobicContact CG-CD1 4.47Å; L147-R278 HydrophobicContact CD1-CB 4.36Å; L147-R278 HydrophobicContact CD1-CG 3.67Å; L147-F326 HydrophobicContact CD2-CD1 3.92Å; L147-F326 HydrophobicContact CD2-CD2 4.32Å; L147-F326 HydrophobicContact CD2-CE1 4.08Å; L147-F326 HydrophobicContact CD2-CE2 4.48Å; L147-F326 HydrophobicContact CD2-CG 4.03Å; L147-F326 HydrophobicContact CD2-CZ 4.36Å
148V87.9Confident81.2Confident5 Ų537.2 Ų37.23%0.0322%0.223CC..Hα-helixtrans-72.7-35.1-177.3178.70000112.1Y131 V144 F145 E146 F152 L155 F326 L352Y131-V148 HydrophobicContact CE1-CG1 4.18Å; V144-V148 HydrophobicContact CG1-CG2 4.23Å; V144-V148 WeakPolarHBondContact O-CG2 3.46Å; V144-V148 PolarHBondContact O-N 3.18Å; F145-V148 PolarHBondContact O-N 2.79Å; E146-V148 VanDerWaalsContact C-N 3.34Å; E146-V148 PolarHBondContact O-N 3.06Å; V148-F152 VanDerWaalsContact O-CA 3.25Å; V148-F152 WeakPolarHBondContact O-CA 3.24Å; V148-F152 VanDerWaalsContact O-CB 3.28Å; V148-F152 WeakPolarHBondContact O-CB 3.44Å; V148-F152 PolarHBondContact O-N 3.48Å; V148-L155 HydrophobicContact CB-CD1 4.38Å; V148-L155 HydrophobicContact CG1-CD1 4.11Å; V148-L155 HydrophobicContact CG2-CD1 4.32Å; V148-F326 HydrophobicContact CG2-CD2 3.7Å; V148-F326 HydrophobicContact CG2-CE2 3.39Å; V148-F326 HydrophobicContact CG2-CZ 4.25Å; V148-L352 HydrophobicContact CG1-CD1 3.77Å; V148-L352 HydrophobicContact CG1-CD2 3.76Å; V148-L352 HydrophobicContact CG1-CG 4.43Å
149D87.6Confident83.3Confident15 Ų1534.1 Ų34.18%0.0820%0.202CC..Hα-helixtrans-69.2-47.4176-172.138000110.9F145 E146 H151 H349 K353 R356F145-D149 WeakPolarHBondContact O-CB 3.34Å; F145-D149 PolarHBondContact O-N 2.87Å; E146-D149 PolarHBondContact O-N 3.15Å; D149-H151 VanDerWaalsContact C-N 3.31Å; D149-H151 PolarHBondContact O-N 3.21Å; D149-H349 IonicContact OD1-CD2 3.71Å; D149-H349 PolarHBondContact OD1-CD2 3.32Å; D149-H349 IonicContact OD1-NE2 3.1Å; D149-H349 PolarHBondContact OD1-NE2 3.25Å; D149-K353 WeakPolarHBondContact OD1-CE 3.35Å; D149-K353 VanDerWaalsContact OD1-CG 3.22Å; D149-K353 WeakPolarHBondContact OD1-CG 3.36Å; D149-R356 IonicContact OD2-CZ 2.76Å; D149-R356 IonicContact OD2-NH1 3.43Å; D149-R356 PolarHBondContact OD2-NH1 3.31Å
150D88Confident85Confident95 Ų9529.3 Ų29.351%0.50819%0.187SC..Hα-helixtrans-67.7-30.8-178.1-65-18.9000112.3E146E146-D150 WeakPolarHBondContact O-CB 3.45Å; E146-D150 PolarHBondContact O-N 3.41Å
151H89.6Confident86.8Confident16 Ų1630.2 Ų30.27%0.07420%0.199CC..THydrogen-bonded Turntrans-115.623.2-177.7-62.2-71.1000113.9L147 D149 V153 E154 L155 L275L147-H151 WeakPolarHBondContact O-CB 3.18Å; L147-H151 PolarHBondContact O-CD2 2.61Å; L147-H151 PolarHBondContact O-N 3.31Å; L147-H151 VanDerWaalsContact O-N 3.11Å; D149-H151 VanDerWaalsContact C-N 3.31Å; D149-H151 PolarHBondContact O-N 3.21Å; H151-V153 PolarHBondContact O-N 3.29Å; H151-E154 VanDerWaalsContact C-OE2 3.3Å; H151-E154 WeakPolarHBondContact CA-OE2 3.4Å; H151-E154 IonicContact ND1-OE2 3.57Å; H151-E154 PolarHBondContact O-N 2.82Å; H151-L155 VanDerWaalsContact O-CG 3.27Å; H151-L155 WeakPolarHBondContact O-CG 3.38Å; H151-L155 PolarHBondContact O-N 3.33Å; H151-L155 VanDerWaalsContact O-N 3.07Å; H151-L275 HydrophobicContact CB-CB 4.44Å; H151-L275 HydrophobicContact CB-CD1 3.82Å; H151-L275 HydrophobicContact CB-CD2 4.27Å; H151-L275 HydrophobicContact CB-CG 4.39Å
152F91.6Very high88.3Confident5 Ų529.6 Ų29.62%0.02218%0.184CC..Hα-helixtrans-60.9-34.3-176.6-176.9-109.8000112.3V148 E154 L155 N156 I331 E345 L348 H349 L352V148-F152 VanDerWaalsContact O-CA 3.25Å; V148-F152 WeakPolarHBondContact O-CA 3.24Å; V148-F152 VanDerWaalsContact O-CB 3.28Å; V148-F152 WeakPolarHBondContact O-CB 3.44Å; V148-F152 PolarHBondContact O-N 3.48Å; F152-E154 VanDerWaalsContact C-N 3.33Å; F152-E154 PolarHBondContact O-N 3.21Å; F152-L155 PolarHBondContact O-N 2.89Å; F152-N156 HydrophobicContact CE1-CB 4.28Å; F152-N156 HydrophobicContact CZ-CB 4.19Å; F152-N156 VanDerWaalsContact O-CB 3.29Å; F152-N156 WeakPolarHBondContact O-CB 3.3Å; F152-N156 PolarHBondContact O-N 3.4Å; F152-N156 VanDerWaalsContact O-N 3.12Å; F152-I331 HydrophobicContact CE2-CD1 4.22Å; F152-E345 WeakPolarHBondContact CE1-O 3.41Å; F152-L348 HydrophobicContact CE1-CB 4.09Å; F152-L348 HydrophobicContact CE2-CB 4.3Å; F152-L348 HydrophobicContact CZ-CB 3.49Å; F152-L348 VanDerWaalsContact CZ-CB 3.49Å; F152-L348 HydrophobicContact CZ-CD1 4.45Å; F152-H349 HydrophobicContact CD1-CB 3.61Å; F152-H349 AromaticContact CD1-CG 3.89Å; F152-H349 HydrophobicContact CE1-CB 3.88Å; F152-H349 HydrophobicContact CG-CB 4.35Å; F152-L352 HydrophobicContact CB-CD1 4.22Å; F152-L352 HydrophobicContact CD2-CD1 3.22Å; F152-L352 HydrophobicContact CE2-CD1 3.7Å; F152-L352 HydrophobicContact CG-CD1 3.8Å
153V91.3Very high89.6Confident86 Ų8630 Ų3052%0.52119%0.19SC..Hα-helixtrans-62.6-41.9-179.9178.20000110.8H151 N156H151-V153 PolarHBondContact O-N 3.29Å; V153-N156 PolarHBondContact O-N 3.44Å
154E92.7Very high90.6Very high30 Ų3028.6 Ų28.614%0.1417%0.174CC..Hα-helixtrans-77.7-23.8178.9-61.270.1-146.900112.3H151 F152 N156 E271 E272 L275H151-E154 VanDerWaalsContact C-OE2 3.3Å; H151-E154 WeakPolarHBondContact CA-OE2 3.4Å; H151-E154 IonicContact ND1-OE2 3.57Å; H151-E154 PolarHBondContact O-N 2.82Å; F152-E154 VanDerWaalsContact C-N 3.33Å; F152-E154 PolarHBondContact O-N 3.21Å; E154-N156 VanDerWaalsContact C-N 3.28Å; E154-E271 HydrophobicContact CG-CB 3.97Å; E154-E271 WeakPolarHBondContact OE1-CB 3.38Å; E154-E272 HydrophobicContact CB-CG 4.23Å; E154-E272 HydrophobicContact CG-CG 3.79Å; E154-L275 HydrophobicContact CB-CD2 3.87Å
155L93.6Very high91.4Very high0 Ų031.7 Ų31.70%020%0.196CC..Hα-helixtrans-82.5-6.4175.2-67.4170.5000113V148 H151 F152 L173 L275 F326 S330 I331V148-L155 HydrophobicContact CB-CD1 4.38Å; V148-L155 HydrophobicContact CG1-CD1 4.11Å; V148-L155 HydrophobicContact CG2-CD1 4.32Å; H151-L155 VanDerWaalsContact O-CG 3.27Å; H151-L155 WeakPolarHBondContact O-CG 3.38Å; H151-L155 PolarHBondContact O-N 3.33Å; H151-L155 VanDerWaalsContact O-N 3.07Å; F152-L155 PolarHBondContact O-N 2.89Å; L155-L173 HydrophobicContact CD2-CD2 3.6Å; L155-L275 HydrophobicContact CD2-CD2 3.87Å; L155-L275 HydrophobicContact CG-CD2 4.1Å; L155-F326 HydrophobicContact CD1-CZ 4.01Å; L155-F326 HydrophobicContact CD2-CE1 4.24Å; L155-F326 HydrophobicContact CD2-CZ 3.87Å; L155-S330 CarbonylContact O-C 3.51Å; L155-S330 WeakPolarHBondContact O-CA 3.41Å; L155-S330 WeakPolarHBondContact O-CB 3.48Å; L155-I331 PolarHBondContact O-N 2.89Å
156N94.5Very high92.1Very high7 Ų734.6 Ų34.64%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-121.4142.2-176.3169.971.2000112.2F152 V153 E154 I331 L333 E345F152-N156 HydrophobicContact CE1-CB 4.28Å; F152-N156 HydrophobicContact CZ-CB 4.19Å; F152-N156 VanDerWaalsContact O-CB 3.29Å; F152-N156 WeakPolarHBondContact O-CB 3.3Å; F152-N156 PolarHBondContact O-N 3.4Å; F152-N156 VanDerWaalsContact O-N 3.12Å; V153-N156 PolarHBondContact O-N 3.44Å; E154-N156 VanDerWaalsContact C-N 3.28Å; N156-I331 CarbonylContact C-O 3.55Å; N156-I331 WeakPolarHBondContact CA-O 3.31Å; N156-I331 PolarHBondContact OD1-O 3.13Å; N156-L333 WeakPolarHBondContact OD1-CD1 3.27Å; N156-L333 VanDerWaalsContact OD1-CG 3.27Å; N156-L333 WeakPolarHBondContact OD1-CG 3.46Å; N156-E345 VanDerWaalsContact ND2-CG 3.26Å; N156-E345 WeakPolarHBondContact ND2-CG 3.34Å; N156-E345 PolarHBondContact ND2-OE1 2.83Å
157V95.2Very high92.8Very high4 Ų431.9 Ų31.92%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-131.9115.7175.7-1790000110.7V159 V174 L310 Y315 I331 V332 L333V157-V159 HydrophobicContact CG1-CG2 4.38Å; V157-V174 HydrophobicContact CG2-CB 3.95Å; V157-V174 HydrophobicContact CG2-CG1 3.85Å; V157-L310 HydrophobicContact CG1-CD1 3.96Å; V157-Y315 HydrophobicContact CG1-CD1 4.41Å; V157-Y315 HydrophobicContact CG1-CE1 3.69Å; V157-I331 PolarHBondContact N-O 3.27Å; V157-V332 CarbonylContact O-C 3.59Å; V157-V332 WeakPolarHBondContact O-CA 3.39Å; V157-L333 PolarHBondContact O-N 3.13Å
158G95Very high93.3Very high29 Ų2936.9 Ų36.930%0.29922%0.219SC..EExtended strand (participates in β ladder)trans-80.4129.3172.500000113.8L333G158-L333 CarbonylContact C-O 3.56Å; G158-L333 WeakPolarHBondContact CA-O 3.25Å
159V95.4Very high93.7Very high7 Ų737.8 Ų37.84%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-123.5112.3178.2-175.10000111.1V157 L162 L310 R311 V332 L333 C334 G335 I341V157-V159 HydrophobicContact CG1-CG2 4.38Å; V159-L162 HydrophobicContact CB-CD1 4.42Å; V159-L162 HydrophobicContact CG1-CD1 3.66Å; V159-L162 HydrophobicContact CG1-CG 4.31Å; V159-L310 HydrophobicContact CG2-CB 3.9Å; V159-L310 HydrophobicContact CG2-CD1 3.91Å; V159-L310 HydrophobicContact CG2-CG 4.44Å; V159-R311 HydrophobicContact CG1-CB 4.5Å; V159-R311 HydrophobicContact CG1-CG 3.84Å; V159-V332 HydrophobicContact CG2-CG1 3.62Å; V159-L333 PolarHBondContact N-O 3.45Å; V159-C334 WeakPolarHBondContact O-CA 3.34Å; V159-G335 PolarHBondContact O-N 3.32Å; V159-G335 VanDerWaalsContact O-N 3.14Å; V159-I341 VanDerWaalsContact C-CD1 3.43Å; V159-I341 VanDerWaalsContact O-CD1 3.29Å; V159-I341 WeakPolarHBondContact O-CD1 3.24Å
160T94.9Very high94.1Very high73 Ų7338 Ų3845%0.44822%0.224SC..EExtended strand (participates in β ladder)trans-82.8145.8-175.851.60000114.3R311 G335 H338 I341T160-R311 VanDerWaalsContact O-CD 3.28Å; T160-R311 WeakPolarHBondContact O-CD 3.43Å; T160-R311 PolarHBondContact O-NH1 3.22Å; T160-G335 CarbonylContact C-O 3.44Å; T160-G335 WeakPolarHBondContact CA-O 3.35Å; T160-H338 HydrophobicContact CG2-CB 4Å; T160-I341 HydrophobicContact CG2-CD1 3.57Å
161G93.8Very high94.4Very high33 Ų3336 Ų3634%0.3422%0.221SC..THydrogen-bonded Turntrans81.10.617600000115.5R311 G335 P336G161-R311 PolarHBondContact O-NH1 3.33Å; G161-R311 VanDerWaalsContact O-NH1 3.09Å; G161-R311 PolarHBondContact O-NH2 2.91Å; G161-G335 PolarHBondContact N-O 3.12Å; G161-P336 WeakPolarHBondContact CA-O 3.38Å; G161-P336 PolarHBondContact N-O 2.99Å
162L94.1Very high94.5Very high34 Ų3435.4 Ų35.418%0.17822%0.219CC..SBendtrans-88.3153.8169.8-72.2173.3000110.6V159 D166 R311 C334 G335 P336V159-L162 HydrophobicContact CB-CD1 4.42Å; V159-L162 HydrophobicContact CG1-CD1 3.66Å; V159-L162 HydrophobicContact CG1-CG 4.31Å; L162-D166 HydrophobicContact CB-CB 4.33Å; L162-D166 HydrophobicContact CD1-CB 4.47Å; L162-R311 HydrophobicContact CD1-CG 4Å; L162-R311 HydrophobicContact CD2-CG 4.38Å; L162-R311 HydrophobicContact CG-CG 4.11Å; L162-C334 HydrophobicContact CB-CB 3.72Å; L162-C334 HydrophobicContact CD1-CB 4.43Å; L162-C334 VanDerWaalsContact CD1-SG 3.58Å; L162-G335 CarbonylContact O-C 3.37Å; L162-G335 WeakPolarHBondContact O-CA 3.42Å; L162-G335 PolarHBondContact O-N 3.25Å; L162-P336 VanDerWaalsContact O-N 3.11Å
163P94.7Very high94.6Very high65 Ų6535.3 Ų35.342%0.42222%0.219SC..  trans-65.3152.9169.630.4-35.7000111S165 D166 C334P163-S165 PolarHBondContact O-N 3.07Å; P163-D166 WeakPolarHBondContact CD-OD2 3.2Å; P163-D166 HydrophobicContact CG-CB 4.41Å; P163-D166 WeakPolarHBondContact CG-OD2 3.21Å; P163-D166 WeakPolarHBondContact O-CB 3.43Å; P163-D166 PolarHBondContact O-N 3.47Å; P163-C334 VanDerWaalsContact O-CB 3.23Å; P163-C334 WeakPolarHBondContact O-CB 3.25Å
164V95.5Very high94.8Very high9 Ų931.2 Ų31.26%0.05519%0.194CC..G310 helixtrans-61.2-30.6-178.6178.60000112.2N120 F123 I124 D166 S167 C334 L340N120-V164 HydrophobicContact CB-CG1 4.2Å; N120-V164 WeakPolarHBondContact ND2-CG2 3.47Å; F123-V164 HydrophobicContact CD1-CG1 4.16Å; F123-V164 HydrophobicContact CE1-CG1 4.19Å; F123-V164 WeakPolarHBondContact CE1-O 3.34Å; I124-V164 HydrophobicContact CD1-CG1 3.92Å; I124-V164 HydrophobicContact CG1-CG1 4.44Å; V164-D166 PolarHBondContact O-N 3.26Å; V164-D166 VanDerWaalsContact O-N 3.14Å; V164-S167 VanDerWaalsContact O-CB 3.26Å; V164-S167 WeakPolarHBondContact O-CB 3.38Å; V164-S167 PolarHBondContact O-N 3.08Å; V164-S167 PolarHBondContact O-OG 3.24Å; V164-C334 WeakPolarHBondContact CA-O 3.14Å; V164-L340 HydrophobicContact CG2-CD2 3.61Å
165S94.7Very high94.9Very high81 Ų8130.1 Ų30.157%0.56619%0.189SC*.G310 helixtrans-58.6-21.6175.452.70000114.4P163 S167P163-S165 PolarHBondContact O-N 3.07Å; S165-S167 PolarHBondContact O-N 3.47Å
166D95.8Very high94.6Very high64 Ų6435.1 Ų35.134%0.34221%0.212SC..G310 helixtrans-82.2-4179.5-67.84.5000112.5L162 P163 V164 C334L162-D166 HydrophobicContact CB-CB 4.33Å; L162-D166 HydrophobicContact CD1-CB 4.47Å; P163-D166 WeakPolarHBondContact CD-OD2 3.2Å; P163-D166 HydrophobicContact CG-CB 4.41Å; P163-D166 WeakPolarHBondContact CG-OD2 3.21Å; P163-D166 WeakPolarHBondContact O-CB 3.43Å; P163-D166 PolarHBondContact O-N 3.47Å; V164-D166 PolarHBondContact O-N 3.26Å; V164-D166 VanDerWaalsContact O-N 3.14Å; D166-C334 HydrophobicContact CB-CB 4.06Å; D166-C334 PolarHBondContact O-SG 2.99Å
167S97.2Very high94.4Very high7 Ų739.1 Ų39.15%0.04923%0.229CC..  trans-63138.8174.7-510000109.9V164 S165 V332 C334V164-S167 VanDerWaalsContact O-CB 3.26Å; V164-S167 WeakPolarHBondContact O-CB 3.38Å; V164-S167 PolarHBondContact O-N 3.08Å; V164-S167 PolarHBondContact O-OG 3.24Å; S165-S167 PolarHBondContact O-N 3.47Å; S167-V332 CarbonylContact C-O 3.57Å; S167-V332 WeakPolarHBondContact CA-O 3.08Å; S167-V332 VanDerWaalsContact CB-O 3.31Å; S167-V332 WeakPolarHBondContact CB-O 3.34Å; S167-C334 PolarHBondContact OG-N 3.13Å
168R96.4Very high94.3Very high110 Ų11041.9 Ų41.942%0.41524%0.244SC..EExtended strand (participates in β ladder)trans-155.9161.5-173.862.2179.3-179.4-99.74.2112.3I170 V332R168-I170 HydrophobicContact CG-CG1 4.3Å; R168-V332 HydrophobicContact CG-CB 4.42Å; R168-V332 PolarHBondContact N-O 3.36Å; R168-V332 PolarHBondContact O-N 3.28Å
169I96.8Very high94.2Very high23 Ų2341.5 Ų41.512%0.11823%0.234CC..EExtended strand (participates in β ladder)trans-96.8127.3173.7-57.9150.4000108.4L127 D130 Y131 K134 H329L127-I169 HydrophobicContact CD1-CD1 4.01Å; L127-I169 HydrophobicContact CD1-CG1 3.82Å; D130-I169 HydrophobicContact CB-CD1 3.54Å; Y131-I169 HydrophobicContact CD2-CG1 4.3Å; Y131-I169 HydrophobicContact CD2-CG2 4.11Å; K134-I169 HydrophobicContact CD-CB 4.29Å; K134-I169 HydrophobicContact CD-CD1 4.11Å; K134-I169 HydrophobicContact CD-CG2 3.82Å; I169-H329 HydrophobicContact CG2-CB 3.8Å
170I95.4Very high94.1Very high20 Ų2043.6 Ų43.610%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-108.4131.7177.4-59.8-175.1000108.3R168 V174 L308 H317 H329 S330 V332R168-I170 HydrophobicContact CG-CG1 4.3Å; I170-V174 HydrophobicContact CG2-CG2 4.4Å; I170-L308 HydrophobicContact CD1-CD2 3.86Å; I170-H317 VanDerWaalsContact CG2-NE2 3.3Å; I170-H317 WeakPolarHBondContact CG2-NE2 3.32Å; I170-H329 CarbonylContact O-C 3.44Å; I170-H329 VanDerWaalsContact O-CA 3.26Å; I170-H329 WeakPolarHBondContact O-CA 3.23Å; I170-H329 WeakPolarHBondContact O-CB 3.18Å; I170-S330 PolarHBondContact N-O 2.8Å; I170-S330 PolarHBondContact O-N 3.31Å; I170-V332 HydrophobicContact CD1-CG2 3.45Å; I170-V332 VanDerWaalsContact CD1-CG2 3.45Å; I170-V332 HydrophobicContact CG1-CG2 3.99Å
171A93.3Very high94Very high53 Ų5341.2 Ų41.244%0.43823%0.234SC..EExtended strand (participates in β ladder)trans-70.7135174.400000111H317 H329A171-H317 PolarHBondContact O-CE1 3.47Å; A171-H317 PolarHBondContact O-NE2 3.25Å; A171-H329 WeakPolarHBondContact CA-CD2 3.42Å
172G93Very high94Very high4 Ų444 Ų444%0.04124%0.235CC..BIsolated β-bridgetrans88.9-179.7-169.900000113.2L318 P328 H329 S330G172-L318 CarbonylContact C-O 3.51Å; G172-L318 WeakPolarHBondContact CA-O 3.44Å; G172-P328 WeakPolarHBondContact CA-O 3.45Å; G172-P328 PolarHBondContact N-O 2.9Å; G172-H329 CarbonylContact O-C 3.55Å; G172-H329 WeakPolarHBondContact O-CA 3.45Å; G172-S330 PolarHBondContact O-N 2.97Å; G172-S330 PolarHBondContact O-OG 2.84Å
173L94.2Very high93.8Very high2 Ų248 Ų481%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-94.2142.5177.9-59-178.2000111L155 L175 L275 I276 I279 L318 L320 P328 S330L155-L173 HydrophobicContact CD2-CD2 3.6Å; L173-L175 HydrophobicContact CB-CD2 4.48Å; L173-L275 HydrophobicContact CD1-CD2 4.28Å; L173-L275 HydrophobicContact CD1-CG 4.47Å; L173-L275 HydrophobicContact CD2-CD2 4.2Å; L173-I276 HydrophobicContact CD1-CG1 3.93Å; L173-I279 HydrophobicContact CD1-CD1 3.87Å; L173-I279 HydrophobicContact CD2-CD1 4.15Å; L173-I279 HydrophobicContact CG-CD1 4.41Å; L173-L318 HydrophobicContact CB-CB 4.46Å; L173-L318 PolarHBondContact N-O 2.91Å; L173-L318 PolarHBondContact O-N 2.84Å; L173-L320 HydrophobicContact CD1-CD1 3.52Å; L173-L320 HydrophobicContact CD1-CG 4.5Å; L173-L320 HydrophobicContact CG-CD1 4.15Å; L173-P328 HydrophobicContact CD2-CB 4.08Å; L173-P328 HydrophobicContact CG-CB 4.28Å; L173-S330 WeakPolarHBondContact CA-OG 3.43Å
174V94.9Very high93.4Very high1 Ų149.5 Ų49.51%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-110.6104172.3-177.90000108.4V157 I170 L308 Y315 S330V157-V174 HydrophobicContact CG2-CB 3.95Å; V157-V174 HydrophobicContact CG2-CG1 3.85Å; I170-V174 HydrophobicContact CG2-CG2 4.4Å; V174-L308 HydrophobicContact CG1-CD2 4.01Å; V174-L308 HydrophobicContact CG2-CD2 3.83Å; V174-Y315 HydrophobicContact CG1-CD1 3.81Å; V174-Y315 HydrophobicContact CG1-CG 3.85Å; V174-S330 PolarHBondContact N-OG 3.47Å
175L93.6Very high92.6Very high6 Ų650.7 Ų50.73%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-81.9141.8179.8-49.4175.7000109.9L173 K177 I244 L268 I276 Y315 V316 L318L173-L175 HydrophobicContact CB-CD2 4.48Å; L175-K177 PolarHBondContact O-N 3.44Å; L175-I244 HydrophobicContact CD1-CD1 4.48Å; L175-L268 HydrophobicContact CB-CD2 4.22Å; L175-L268 HydrophobicContact CD1-CD1 3.89Å; L175-L268 HydrophobicContact CD1-CD2 4.09Å; L175-I276 HydrophobicContact CD1-CD1 4.49Å; L175-I276 HydrophobicContact CD2-CD1 4.15Å; L175-Y315 WeakPolarHBondContact O-CB 3.48Å; L175-Y315 WeakPolarHBondContact O-CD1 3.34Å; L175-V316 HydrophobicContact CB-CB 4.16Å; L175-V316 HydrophobicContact CD1-CB 4.21Å; L175-V316 HydrophobicContact CD1-CG1 3.96Å; L175-V316 HydrophobicContact CG-CB 4.47Å; L175-V316 PolarHBondContact N-O 3.33Å; L175-V316 PolarHBondContact O-N 3.26Å; L175-L318 HydrophobicContact CD1-CD2 4.45Å
176Q88.6Confident91.7Very high106 Ų10655 Ų5550%0.49529%0.285SS..SBendtrans-755.9-171.9-60.5-172.46.400114.5E272Q176-E272 PolarHBondContact N-OE1 3.49Å
177K89.9Confident90.7Very high90 Ų9054.3 Ų54.339%0.39129%0.294SS..SBendtrans-111.4158-177.9-57.6-60.5179176.80111.3L175 C267 L268 Y315 V316L175-K177 PolarHBondContact O-N 3.44Å; K177-C267 WeakPolarHBondContact CE-O 3.31Å; K177-L268 HydrophobicContact CB-CD2 4.27Å; K177-L268 HydrophobicContact CG-CD2 3.95Å; K177-Y315 CarbonylContact O-C 3.57Å; K177-Y315 WeakPolarHBondContact O-CA 3.22Å; K177-V316 VanDerWaalsContact O-CG2 3.31Å; K177-V316 WeakPolarHBondContact O-CG2 3.21Å; K177-V316 PolarHBondContact O-N 3.11Å
178D93.1Very high89.9Confident63 Ų6359 Ų5934%0.33732%0.318SS..  trans-92.8168.6168.6-162.27000110.1R314D178-R314 HydrophobicContact CB-CB 4.12Å; D178-R314 WeakPolarHBondContact OD2-CB 2.91Å; D178-R314 WeakPolarHBondContact OD2-CD 3.33Å
179F93.3Very high89.5Confident20 Ų2054.1 Ų54.19%0.08830%0.3CS..EExtended strand (participates in β ladder)trans-73.3133.7172.3-69.3-85.7000111.3Y182 L242 V264 A265 C305 P307 V316F179-Y182 HydrophobicContact CD1-CD2 4.1Å; F179-Y182 AromaticContact CD2-CD2 3.87Å; F179-Y182 HydrophobicContact CD2-CD2 3.87Å; F179-Y182 HydrophobicContact CD2-CG 4.31Å; F179-Y182 HydrophobicContact CE1-CD2 4.07Å; F179-Y182 AromaticContact CE2-CD2 3.85Å; F179-Y182 HydrophobicContact CE2-CD2 3.85Å; F179-Y182 HydrophobicContact CE2-CE2 4.22Å; F179-Y182 AromaticContact CG-CD2 3.98Å; F179-Y182 HydrophobicContact CG-CD2 3.98Å; F179-Y182 HydrophobicContact CG-CG 4.37Å; F179-Y182 AromaticContact CZ-CD2 3.93Å; F179-Y182 HydrophobicContact CZ-CD2 3.93Å; F179-Y182 HydrophobicContact CZ-CE2 4.19Å; F179-L242 HydrophobicContact CE1-CD1 4.24Å; F179-V264 WeakPolarHBondContact CA-O 3.32Å; F179-A265 HydrophobicContact CD1-CB 4.47Å; F179-C305 WeakPolarHBondContact CZ-SG 3.26Å; F179-P307 HydrophobicContact CD2-CB 4.37Å; F179-P307 HydrophobicContact CE2-CB 4.27Å; F179-V316 HydrophobicContact CD1-CG2 4.14Å; F179-V316 HydrophobicContact CD2-CG2 3.72Å; F179-V316 HydrophobicContact CE1-CG1 4.08Å; F179-V316 HydrophobicContact CE1-CG2 4.07Å; F179-V316 HydrophobicContact CE2-CB 4.16Å; F179-V316 HydrophobicContact CE2-CG1 4.09Å; F179-V316 HydrophobicContact CE2-CG2 3.63Å; F179-V316 HydrophobicContact CG-CG2 3.98Å; F179-V316 HydrophobicContact CZ-CB 4.19Å; F179-V316 HydrophobicContact CZ-CG1 3.63Å; F179-V316 HydrophobicContact CZ-CG2 3.83Å
180S92.9Very high89.2Confident51 Ų5156.8 Ų56.836%0.35731%0.309SS..EExtended strand (participates in β ladder)trans-75.4-35.6166-50.40000110.7V264 E266S180-V264 PolarHBondContact N-O 3.26Å; S180-E266 WeakPolarHBondContact CB-OE1 3.27Å; S180-E266 WeakPolarHBondContact OG-CG 3.48Å; S180-E266 PolarHBondContact OG-OE1 3.48Å
181V92.7Very high89Confident23 Ų2355.8 Ų55.814%0.13930%0.304CS..EExtended strand (participates in β ladder)trans-137.2119.9173-178.90000107.5R183 S254 S263 V264V181-R183 HydrophobicContact CG1-CG 4.25Å; V181-S254 WeakPolarHBondContact CG2-O 3.41Å; V181-S263 CarbonylContact O-C 3.46Å; V181-S263 VanDerWaalsContact O-CA 3.24Å; V181-S263 WeakPolarHBondContact O-CA 3.35Å; V181-V264 HydrophobicContact CB-CB 4.16Å; V181-V264 HydrophobicContact CB-CG2 4.14Å; V181-V264 HydrophobicContact CG2-CB 4.47Å; V181-V264 HydrophobicContact CG2-CG2 4.4Å; V181-V264 PolarHBondContact N-O 3.03Å; V181-V264 PolarHBondContact O-N 3.4Å
182Y93.2Very high88.9Confident91 Ų9153.3 Ų53.336%0.35728%0.283SS..  trans-110123174.6-178-118.5000110.8F179 P184 P307F179-Y182 HydrophobicContact CD1-CD2 4.1Å; F179-Y182 AromaticContact CD2-CD2 3.87Å; F179-Y182 HydrophobicContact CD2-CD2 3.87Å; F179-Y182 HydrophobicContact CD2-CG 4.31Å; F179-Y182 HydrophobicContact CE1-CD2 4.07Å; F179-Y182 AromaticContact CE2-CD2 3.85Å; F179-Y182 HydrophobicContact CE2-CD2 3.85Å; F179-Y182 HydrophobicContact CE2-CE2 4.22Å; F179-Y182 AromaticContact CG-CD2 3.98Å; F179-Y182 HydrophobicContact CG-CD2 3.98Å; F179-Y182 HydrophobicContact CG-CG 4.37Å; F179-Y182 AromaticContact CZ-CD2 3.93Å; F179-Y182 HydrophobicContact CZ-CD2 3.93Å; F179-Y182 HydrophobicContact CZ-CE2 4.19Å; Y182-P184 HydrophobicContact CE1-CB 4.14Å; Y182-P184 HydrophobicContact CE1-CG 4.47Å; Y182-P307 HydrophobicContact CD1-CG 4.37Å; Y182-P307 HydrophobicContact CE1-CG 3.99Å; Y182-P307 VanDerWaalsContact CE2-CD 3.48Å; Y182-P307 WeakPolarHBondContact OH-CD 3.27Å
183R90.9Very high88.8Confident118 Ų11853.1 Ų53.145%0.44528%0.281SS..  trans-128.2105.1173.6-66.3-64.1-178142.7-0.9107.7V181 A185 G258 S263V181-R183 HydrophobicContact CG1-CG 4.25Å; R183-A185 PolarHBondContact O-N 2.98Å; R183-G258 PolarHBondContact NE-O 3.48Å; R183-G258 PolarHBondContact NH2-O 3.45Å; R183-S263 PolarHBondContact N-OG 3.25Å; R183-S263 PolarHBondContact O-OG 3.09Å
184P85.4Confident88.6Confident98 Ų9853 Ų5364%0.63628%0.281SS*.  trans-59.1133-178.224-32.1000109.6Y182Y182-P184 HydrophobicContact CE1-CB 4.14Å; Y182-P184 HydrophobicContact CE1-CG 4.47Å
185A80.4Confident88.2Confident34 Ų3455.4 Ų55.428%0.28130%0.295SS..  trans-126.7128.5176.100000108R183 M189 K241R183-A185 PolarHBondContact O-N 2.98Å; A185-M189 HydrophobicContact CB-CE 4.18Å; A185-K241 HydrophobicContact CB-CB 4.17Å; A185-K241 HydrophobicContact CB-CG 4.36Å
186D74.5Confident87.9Confident171 Ų17160.7 Ų60.791%0.91432%0.32SS*.  trans-88.3137.1176.4-66.1-42.6000110.3
187G74.9Confident87.8Confident50 Ų5058 Ų5852%0.51531%0.311SS..SBendtrans81.7-166.6176.900000115.2M189G187-M189 PolarHBondContact O-N 2.94Å
188D79.7Confident87.7Confident106 Ų10653.8 Ų53.857%0.56729%0.293SS*.  trans-66.6127.8-179.8-69.7-23.4000110.5V302D188-V302 WeakPolarHBondContact CA-O 3.08Å
189M88Confident87.4Confident7 Ų753 Ų533%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-119.6149.3-176.767.5-176.179.300111.7A185 G187 K241 L242 L301 V302 C305A185-M189 HydrophobicContact CB-CE 4.18Å; G187-M189 PolarHBondContact O-N 2.94Å; M189-K241 HydrophobicContact CB-CB 4.07Å; M189-K241 HydrophobicContact CB-CG 4.44Å; M189-L242 HydrophobicContact SD-CB 4.11Å; M189-L301 WeakPolarHBondContact O-CA 3.48Å; M189-V302 HydrophobicContact CG-CB 3.82Å; M189-V302 HydrophobicContact CG-CG1 4.19Å; M189-V302 PolarHBondContact N-O 3.07Å; M189-V302 PolarHBondContact O-N 3.22Å; M189-C305 HydrophobicContact CE-CB 3.76Å; M189-C305 HydrophobicContact SD-CB 3.51Å; M189-C305 VanDerWaalsContact SD-CB 3.51Å
190R90.3Very high87Confident78 Ų7853.5 Ų53.529%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-87136169.9-70.4-166.9-85.1-162.6-1.1111.1Q238 N239 V240 K241 L242 T299 A300 L301R190-Q238 PolarHBondContact NE-O 3.4Å; R190-Q238 VanDerWaalsContact NH2-C 3.29Å; R190-Q238 PolarHBondContact NH2-O 2.89Å; R190-N239 WeakPolarHBondContact CB-O 3.32Å; R190-V240 HydrophobicContact CB-CG2 4.3Å; R190-V240 WeakPolarHBondContact O-CA 3.26Å; R190-K241 PolarHBondContact O-N 3.17Å; R190-L242 PolarHBondContact O-N 3.42Å; R190-T299 WeakPolarHBondContact CD-OG1 3.42Å; R190-A300 CarbonylContact C-O 3.41Å; R190-A300 WeakPolarHBondContact CA-O 3.39Å; R190-L301 HydrophobicContact CG-CD2 4.02Å
191M91.3Very high86.5Confident0 Ų056.9 Ų56.90%031%0.305CS..EExtended strand (participates in β ladder)trans-117.2146.2179.8179.7-17480.800110.9I193 L242 I244 I276 I280 L282 T299 A300 V302 L318M191-I193 HydrophobicContact CE-CD1 4.06Å; M191-I193 HydrophobicContact CE-CG1 3.9Å; M191-L242 VanDerWaalsContact CA-O 3.29Å; M191-L242 WeakPolarHBondContact CA-O 3.34Å; M191-L242 HydrophobicContact CB-CB 4.15Å; M191-L242 HydrophobicContact CB-CD2 4.17Å; M191-L242 HydrophobicContact CB-CG 4.4Å; M191-L242 HydrophobicContact CG-CB 4.15Å; M191-L242 HydrophobicContact CG-CD2 3.75Å; M191-L242 HydrophobicContact CG-CG 3.9Å; M191-L242 HydrophobicContact SD-CD2 3.74Å; M191-L242 HydrophobicContact SD-CG 4.44Å; M191-I244 HydrophobicContact CE-CD1 4.32Å; M191-I244 HydrophobicContact CG-CD1 4.26Å; M191-I244 HydrophobicContact CG-CG1 4.16Å; M191-I244 HydrophobicContact SD-CD1 3.26Å; M191-I244 WeakPolarHBondContact SD-CD1 3.06Å; M191-I244 HydrophobicContact SD-CG1 3.81Å; M191-I276 HydrophobicContact CE-CG2 3.82Å; M191-I280 HydrophobicContact CE-CD1 3.39Å; M191-L282 HydrophobicContact CE-CD1 4.27Å; M191-T299 WeakPolarHBondContact O-CA 3.26Å; M191-A300 PolarHBondContact N-O 2.68Å; M191-A300 PolarHBondContact O-N 3.03Å; M191-A300 VanDerWaalsContact O-N 3.08Å; M191-V302 HydrophobicContact CB-CG2 3.51Å; M191-V302 HydrophobicContact CE-CG2 4.34Å; M191-V302 HydrophobicContact CG-CG2 4.28Å; M191-V302 HydrophobicContact SD-CG2 3.84Å; M191-L318 HydrophobicContact SD-CD1 4.4Å; M191-L318 HydrophobicContact SD-CD2 4.36Å
192V91.4Very high86.1Confident0 Ų059.8 Ų59.80%032%0.316CS..EExtended strand (participates in β ladder)trans-123.9141.7169.7174.10000109.9V194 L235 V240 L242 L243 I244 F285 P297 T299V192-V194 HydrophobicContact CG1-CG2 3.98Å; V192-L235 HydrophobicContact CG2-CD2 4.14Å; V192-V240 HydrophobicContact CB-CG1 4.33Å; V192-V240 HydrophobicContact CG2-CG1 3.87Å; V192-V240 HydrophobicContact CG2-CG2 3.81Å; V192-L242 PolarHBondContact N-O 3.27Å; V192-L243 HydrophobicContact CB-CD1 4.39Å; V192-L243 HydrophobicContact CG1-CD1 4.39Å; V192-I244 PolarHBondContact O-N 2.95Å; V192-F285 HydrophobicContact CG1-CB 3.29Å; V192-F285 HydrophobicContact CG1-CD1 4.2Å; V192-F285 HydrophobicContact CG1-CD2 4.41Å; V192-F285 HydrophobicContact CG1-CG 3.74Å; V192-P297 HydrophobicContact CG2-CB 4.28Å; V192-T299 HydrophobicContact CG2-CG2 3.76Å
193I90.8Very high85.5Confident1 Ų157.1 Ų57.11%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-107131.7174.8-57.8173.5000108.2M191 I244 V273 I276 R277 L282 F285M191-I193 HydrophobicContact CE-CD1 4.06Å; M191-I193 HydrophobicContact CE-CG1 3.9Å; I193-I244 CarbonylContact C-O 3.44Å; I193-I244 WeakPolarHBondContact CA-O 3.45Å; I193-I244 HydrophobicContact CG1-CB 4.49Å; I193-V273 HydrophobicContact CG2-CG1 3.92Å; I193-I276 HydrophobicContact CD1-CB 4.44Å; I193-I276 HydrophobicContact CD1-CG2 3.65Å; I193-R277 HydrophobicContact CD1-CG 3.98Å; I193-L282 HydrophobicContact CD1-CB 4.35Å; I193-L282 HydrophobicContact CD1-CD1 4.27Å; I193-F285 WeakPolarHBondContact O-CB 3.29Å; I193-F285 PolarHBondContact O-N 3.44Å
194V89.9Confident85.1Confident0 Ų056.6 Ų56.60%032%0.321CS..EExtended strand (participates in β ladder)trans-126.7134.9179.2-167.30000109.8V192 E196 I198 L243 I244 S245 S246 F285V192-V194 HydrophobicContact CG1-CG2 3.98Å; V194-E196 WeakPolarHBondContact CG1-O 3.21Å; V194-I198 HydrophobicContact CG1-CG1 4.01Å; V194-I198 HydrophobicContact CG2-CD1 4.15Å; V194-I198 HydrophobicContact CG2-CG1 4.38Å; V194-L243 HydrophobicContact CG2-CD1 3.5Å; V194-L243 VanDerWaalsContact CG2-CD1 3.5Å; V194-I244 PolarHBondContact N-O 3.23Å; V194-S245 WeakPolarHBondContact O-CA 3.25Å; V194-S246 PolarHBondContact O-N 3.12Å; V194-F285 HydrophobicContact CG2-CB 4.26Å; V194-F285 HydrophobicContact CG2-CD1 3.92Å
195T87.3Confident84.6Confident51 Ų5158.2 Ų58.231%0.31334%0.335SS..SBendtrans-102.3-9.2178.4480000114S246 V247 P284T195-S246 VanDerWaalsContact CA-OG 3.26Å; T195-S246 WeakPolarHBondContact CA-OG 3.28Å; T195-S246 PolarHBondContact O-OG 3.33Å; T195-V247 WeakPolarHBondContact O-CG1 3.38Å; T195-P284 HydrophobicContact CG2-CB 3.87Å; T195-P284 HydrophobicContact CG2-CG 3.94Å
196E87.1Confident84.5Confident116 Ų11660.9 Ų60.954%0.54237%0.365SS..SBendtrans-129.6171.1-176.2-62.7-177.7177.600111.4V194 I198 V247 Q249V194-E196 WeakPolarHBondContact CG1-O 3.21Å; E196-I198 PolarHBondContact O-N 3Å; E196-V247 VanDerWaalsContact C-CG2 3.43Å; E196-Q249 PolarHBondContact O-NE2 3.38Å
197T87.8Confident85Confident51 Ų5155.2 Ų55.231%0.31334%0.339SS..  trans-72.5129.3176.153.90000110.4Q199 V247T197-Q199 VanDerWaalsContact C-N 3.3Å; T197-V247 HydrophobicContact CG2-CG2 4.17Å
198I86.9Confident85.4Confident1 Ų161.2 Ų61.21%0.00535%0.354CS..SBendtrans-71.7-30.2179.1-62174.1000111.4V194 E196 P200 I231 M232 L243 V253V194-I198 HydrophobicContact CG1-CG1 4.01Å; V194-I198 HydrophobicContact CG2-CD1 4.15Å; V194-I198 HydrophobicContact CG2-CG1 4.38Å; E196-I198 PolarHBondContact O-N 3Å; I198-P200 WeakPolarHBondContact O-CD 3.49Å; I198-I231 HydrophobicContact CG2-CB 4.36Å; I198-I231 HydrophobicContact CG2-CD1 4.09Å; I198-I231 HydrophobicContact CG2-CG2 3.73Å; I198-M232 HydrophobicContact CD1-CE 3.96Å; I198-M232 HydrophobicContact CG2-CE 4.29Å; I198-L243 HydrophobicContact CD1-CD1 3.87Å; I198-L243 HydrophobicContact CD1-CD2 3.52Å; I198-L243 HydrophobicContact CD1-CG 4.3Å; I198-V253 HydrophobicContact CB-CG1 4.22Å; I198-V253 HydrophobicContact CB-CG2 4.26Å; I198-V253 HydrophobicContact CD1-CG1 4.05Å
199Q86.6Confident85.7Confident46 Ų4660.1 Ų60.122%0.21534%0.344CS..SBendtrans-66.3125.7176-173.1176.9-40.800109.8T197 L201 I224 P250 V253T197-Q199 VanDerWaalsContact C-N 3.3Å; Q199-L201 PolarHBondContact O-N 3.36Å; Q199-I224 HydrophobicContact CG-CG2 3.4Å; Q199-I224 VanDerWaalsContact CG-CG2 3.4Å; Q199-P250 HydrophobicContact CB-CB 4.38Å; Q199-P250 HydrophobicContact CB-CG 3.89Å; Q199-V253 HydrophobicContact CB-CG2 3.95Å
200P84.8Confident85.5Confident31 Ų3165.4 Ų65.420%0.20137%0.372CS..PPolyproline II helixtrans-57.6136.2171.9-23.433.1000111.1I198 W223 K227I198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-W223 HydrophobicContact CB-CH2 4.07Å; P200-W223 HydrophobicContact CB-CZ3 3.72Å; P200-W223 HydrophobicContact CG-CH2 4.48Å; P200-W223 HydrophobicContact CG-CZ3 4.3Å; P200-K227 HydrophobicContact CG-CB 3.98Å
201L83.2Confident85.3Confident121 Ų12165.4 Ų65.463%0.63438%0.377SS*.PPolyproline II helixtrans-81.4150.9173.5-60.6172000109.7Q199 S203Q199-L201 PolarHBondContact O-N 3.36Å; L201-S203 VanDerWaalsContact CB-O 3.31Å; L201-S203 WeakPolarHBondContact CB-O 3.4Å; L201-S203 PolarHBondContact O-N 2.88Å
202F83.1Confident85.2Confident84 Ų8471.2 Ų71.237%0.36841%0.408SS..SBendtrans-64.2-29.2171.3-71.6-76.5000112.5F209 F217 Q221 I224F202-F209 HydrophobicContact CB-CB 4.42Å; F202-F209 HydrophobicContact CB-CD1 3.84Å; F202-F209 HydrophobicContact CB-CE1 4.19Å; F202-F209 HydrophobicContact CB-CG 4.03Å; F202-F209 HydrophobicContact CD1-CD1 4.11Å; F202-F209 AromaticContact CD1-CE1 3.59Å; F202-F209 HydrophobicContact CD1-CE1 3.59Å; F202-F209 AromaticContact CD1-CZ 3.93Å; F202-F209 HydrophobicContact CD1-CZ 3.93Å; F202-F209 HydrophobicContact CE1-CE1 4.29Å; F202-F209 HydrophobicContact CG-CD1 4.24Å; F202-F209 HydrophobicContact CG-CE1 4.16Å; F202-F209 WeakPolarHBondContact O-CD2 3.47Å; F202-F217 HydrophobicContact CE1-CE2 4.44Å; F202-F217 HydrophobicContact CZ-CE2 4.11Å; F202-Q221 HydrophobicContact CE1-CG 4.39Å; F202-Q221 HydrophobicContact CZ-CG 3.84Å; F202-I224 HydrophobicContact CD1-CD1 3.7Å; F202-I224 HydrophobicContact CD2-CD1 3.95Å; F202-I224 HydrophobicContact CE1-CD1 3.45Å; F202-I224 VanDerWaalsContact CE1-CD1 3.45Å; F202-I224 HydrophobicContact CE2-CD1 3.72Å; F202-I224 HydrophobicContact CG-CD1 3.94Å; F202-I224 HydrophobicContact CZ-CD1 3.46Å; F202-I224 VanDerWaalsContact CZ-CD1 3.46Å
203S81.9Confident85.3Confident36 Ų3673.8 Ų73.825%0.25243%0.426SS..SBendtrans-145.8148.1-176.3-147.60000109.9L201 S207L201-S203 VanDerWaalsContact CB-O 3.31Å; L201-S203 WeakPolarHBondContact CB-O 3.4Å; L201-S203 PolarHBondContact O-N 2.88Å; S203-S207 PolarHBondContact OG-O 3.29Å; S203-S207 PolarHBondContact OG-OG 2.88Å
204T80.8Confident85.3Confident106 Ų10679.4 Ų79.465%0.6545%0.452SS*.  trans-88.5162.4170.157.90000110.4G206 S207T204-G206 PolarHBondContact O-N 2.88Å; T204-S207 PolarHBondContact N-OG 2.96Å; T204-S207 PolarHBondContact O-N 3.32Å; T204-S207 PolarHBondContact O-OG 3.2Å; T204-S207 PolarHBondContact OG1-OG 3.4Å; T204-S207 VanDerWaalsContact OG1-OG 3.06Å
205S76.1Confident85.4Confident133 Ų13382.4 Ų82.493%0.9348%0.477SS*.THydrogen-bonded Turntrans-55.4124.6178.9-174.90000111.1
206G78.8Confident85.4Confident89 Ų8983.9 Ų83.992%0.91848%0.48SS*.THydrogen-bonded Turntrans85.59.3-178.600000115.2T204T204-G206 PolarHBondContact O-N 2.88Å
207S84.8Confident85.5Confident53 Ų5381.1 Ų81.137%0.37147%0.466SS..  trans-118.4146.717260.60000111.7S203 T204S203-S207 PolarHBondContact OG-O 3.29Å; S203-S207 PolarHBondContact OG-OG 2.88Å; T204-S207 PolarHBondContact N-OG 2.96Å; T204-S207 PolarHBondContact O-N 3.32Å; T204-S207 PolarHBondContact O-OG 3.2Å; T204-S207 PolarHBondContact OG1-OG 3.4Å; T204-S207 VanDerWaalsContact OG1-OG 3.06Å
208E83.9Confident85.6Confident176 Ų17683.9 Ų83.982%0.82248%0.476SS*.  trans-102.2129176.7-69-178.3175.600110.4
209F84Confident85.8Confident82 Ų8288.4 Ų88.436%0.3650%0.504SS..  trans-92.2105.8175.5179.3-116000109.6F202 L211F202-F209 HydrophobicContact CB-CB 4.42Å; F202-F209 HydrophobicContact CB-CD1 3.84Å; F202-F209 HydrophobicContact CB-CE1 4.19Å; F202-F209 HydrophobicContact CB-CG 4.03Å; F202-F209 HydrophobicContact CD1-CD1 4.11Å; F202-F209 AromaticContact CD1-CE1 3.59Å; F202-F209 HydrophobicContact CD1-CE1 3.59Å; F202-F209 AromaticContact CD1-CZ 3.93Å; F202-F209 HydrophobicContact CD1-CZ 3.93Å; F202-F209 HydrophobicContact CE1-CE1 4.29Å; F202-F209 HydrophobicContact CG-CD1 4.24Å; F202-F209 HydrophobicContact CG-CE1 4.16Å; F202-F209 WeakPolarHBondContact O-CD2 3.47Å; F209-L211 HydrophobicContact CD1-CD1 4.35Å; F209-L211 HydrophobicContact CD1-CD2 4.24Å; F209-L211 HydrophobicContact CD1-CG 3.98Å; F209-L211 HydrophobicContact CE1-CD1 4.01Å; F209-L211 HydrophobicContact CE1-CD2 3.34Å; F209-L211 HydrophobicContact CE1-CG 3.57Å; F209-L211 HydrophobicContact CZ-CD2 3.61Å; F209-L211 HydrophobicContact CZ-CG 4.24Å
210I84.9Confident85.9Confident119 Ų11987.7 Ų87.761%0.6150%0.504SS*.  trans-90.5120.7-177.3-56.4174.7000109.6
211L86.9Confident86.1Confident77 Ų7790.4 Ų90.440%0.40351%0.514SS..  trans-101120.4175.8-74.3169.2000110.1F209 Q216 F217F209-L211 HydrophobicContact CD1-CD1 4.35Å; F209-L211 HydrophobicContact CD1-CD2 4.24Å; F209-L211 HydrophobicContact CD1-CG 3.98Å; F209-L211 HydrophobicContact CE1-CD1 4.01Å; F209-L211 HydrophobicContact CE1-CD2 3.34Å; F209-L211 HydrophobicContact CE1-CG 3.57Å; F209-L211 HydrophobicContact CZ-CD2 3.61Å; F209-L211 HydrophobicContact CZ-CG 4.24Å; L211-Q216 HydrophobicContact CD2-CB 4.48Å; L211-F217 HydrophobicContact CD1-CB 4.13Å; L211-F217 HydrophobicContact CD1-CD2 3.56Å; L211-F217 HydrophobicContact CD1-CE2 4.3Å; L211-F217 HydrophobicContact CD1-CG 4.11Å; L211-F217 HydrophobicContact CD2-CB 3.83Å; L211-F217 HydrophobicContact CD2-CD2 4.16Å; L211-F217 HydrophobicContact CD2-CG 4.49Å
212N88.8Confident86.5Confident123 Ų12390.4 Ų90.466%0.65851%0.509SS*.  trans-98.4-10.4178.8-55.3-65.7000113Q216N212-Q216 VanDerWaalsContact N-OE1 3.13Å; N212-Q216 PolarHBondContact ND2-OE1 3.04Å
213S92.3Very high86.8Confident54 Ų5492.5 Ų92.538%0.37851%0.514SS..  trans-161.5159175.670.60000112.9A215 Q216 F217S213-A215 VanDerWaalsContact C-N 3.27Å; S213-A215 PolarHBondContact O-N 2.76Å; S213-Q216 WeakPolarHBondContact O-CB 3.42Å; S213-Q216 PolarHBondContact O-N 3.28Å; S213-Q216 WeakPolarHBondContact OG-CG 3.48Å; S213-Q216 PolarHBondContact OG-N 3.2Å; S213-Q216 VanDerWaalsContact OG-N 3.15Å; S213-F217 PolarHBondContact O-N 3.4Å
214E92.1Very high87.2Confident119 Ų11991 Ų9156%0.55650%0.504SS*.Hα-helixtrans-60.1-37.3171.9-177.858-149.900111.8Q216 F217 Q218E214-Q216 VanDerWaalsContact C-N 3.32Å; E214-Q216 PolarHBondContact O-N 3.3Å; E214-F217 WeakPolarHBondContact O-CB 3.42Å; E214-F217 PolarHBondContact O-N 3.43Å; E214-Q218 WeakPolarHBondContact O-CG 3.46Å; E214-Q218 PolarHBondContact O-N 3.48Å; E214-Q218 PolarHBondContact OE1-NE2 3.01Å
215A90.8Very high87.7Confident62 Ų6288.5 Ų88.551%0.51249%0.485SS..Hα-helixtrans-63.9-36.4177.100000112.3S213 T219S213-A215 VanDerWaalsContact C-N 3.27Å; S213-A215 PolarHBondContact O-N 2.76Å; A215-T219 WeakPolarHBondContact O-CB 3.46Å; A215-T219 PolarHBondContact O-N 3.49Å; A215-T219 PolarHBondContact O-OG1 3.44Å
216Q87.9Confident88.4Confident82 Ų8285.4 Ų85.438%0.38346%0.456SS..Hα-helixtrans-65.3-43.7173.2-77.31791.800111L211 N212 S213 E214 Q218 T219 S220L211-Q216 HydrophobicContact CD2-CB 4.48Å; N212-Q216 VanDerWaalsContact N-OE1 3.13Å; N212-Q216 PolarHBondContact ND2-OE1 3.04Å; S213-Q216 WeakPolarHBondContact O-CB 3.42Å; S213-Q216 PolarHBondContact O-N 3.28Å; S213-Q216 WeakPolarHBondContact OG-CG 3.48Å; S213-Q216 PolarHBondContact OG-N 3.2Å; S213-Q216 VanDerWaalsContact OG-N 3.15Å; E214-Q216 VanDerWaalsContact C-N 3.32Å; E214-Q216 PolarHBondContact O-N 3.3Å; Q216-Q218 PolarHBondContact O-N 2.9Å; Q216-T219 PolarHBondContact O-N 2.71Å; Q216-S220 WeakPolarHBondContact O-CB 3.25Å; Q216-S220 PolarHBondContact O-N 2.85Å; Q216-S220 PolarHBondContact O-OG 2.98Å; Q216-S220 VanDerWaalsContact O-OG 3.06Å
217F88.4Confident88.9Confident58 Ų5882.2 Ų82.225%0.25442%0.417SS..Hα-helixtrans-59.2-47.6177.1-178.4-119.8000112.2F202 L211 S213 E214 T219 S220 Q221F202-F217 HydrophobicContact CE1-CE2 4.44Å; F202-F217 HydrophobicContact CZ-CE2 4.11Å; L211-F217 HydrophobicContact CD1-CB 4.13Å; L211-F217 HydrophobicContact CD1-CD2 3.56Å; L211-F217 HydrophobicContact CD1-CE2 4.3Å; L211-F217 HydrophobicContact CD1-CG 4.11Å; L211-F217 HydrophobicContact CD2-CB 3.83Å; L211-F217 HydrophobicContact CD2-CD2 4.16Å; L211-F217 HydrophobicContact CD2-CG 4.49Å; S213-F217 PolarHBondContact O-N 3.4Å; E214-F217 WeakPolarHBondContact O-CB 3.42Å; E214-F217 PolarHBondContact O-N 3.43Å; F217-T219 VanDerWaalsContact C-N 3.35Å; F217-T219 PolarHBondContact O-N 3.08Å; F217-S220 PolarHBondContact O-N 3.15Å; F217-Q221 HydrophobicContact CE1-CG 4.41Å; F217-Q221 VanDerWaalsContact CE1-NE2 3.27Å; F217-Q221 HydrophobicContact CE2-CG 4.26Å; F217-Q221 HydrophobicContact CZ-CG 4.19Å; F217-Q221 WeakPolarHBondContact O-CG 3.17Å; F217-Q221 PolarHBondContact O-N 3.1Å
218Q91Very high89.1Confident109 Ų10979.7 Ų79.751%0.50940%0.399SS..Hα-helixtrans-63.2-39.9176.9-68.5-174.67.300112.4E214 Q216 Q221 F222E214-Q218 WeakPolarHBondContact O-CG 3.46Å; E214-Q218 PolarHBondContact O-N 3.48Å; E214-Q218 PolarHBondContact OE1-NE2 3.01Å; Q216-Q218 PolarHBondContact O-N 2.9Å; Q218-Q221 PolarHBondContact O-N 3.43Å; Q218-F222 WeakPolarHBondContact O-CB 3.34Å; Q218-F222 PolarHBondContact O-N 3.39Å
219T89.8Confident89.5Confident96 Ų9674 Ų7459%0.58937%0.371SS*.Hα-helixtrans-64.3-41.3176.2-560000111.2A215 Q216 F217 F222 W223A215-T219 WeakPolarHBondContact O-CB 3.46Å; A215-T219 PolarHBondContact O-N 3.49Å; A215-T219 PolarHBondContact O-OG1 3.44Å; Q216-T219 PolarHBondContact O-N 2.71Å; F217-T219 VanDerWaalsContact C-N 3.35Å; F217-T219 PolarHBondContact O-N 3.08Å; T219-F222 PolarHBondContact O-N 2.93Å; T219-W223 WeakPolarHBondContact O-CB 3.33Å; T219-W223 PolarHBondContact O-N 3.16Å
220S88.8Confident89.8Confident31 Ų3172.1 Ų72.122%0.21737%0.371CS..Hα-helixtrans-66-41.6176.1-62.50000112.2Q216 F217 W223 I224Q216-S220 WeakPolarHBondContact O-CB 3.25Å; Q216-S220 PolarHBondContact O-N 2.85Å; Q216-S220 PolarHBondContact O-OG 2.98Å; Q216-S220 VanDerWaalsContact O-OG 3.06Å; F217-S220 PolarHBondContact O-N 3.15Å; S220-W223 PolarHBondContact O-N 2.86Å; S220-I224 WeakPolarHBondContact O-CG1 3.27Å; S220-I224 PolarHBondContact O-N 3.1Å
221Q89.8Confident90Very high89 Ų8967.4 Ų67.442%0.41635%0.347SS..Hα-helixtrans-60.7-45.8173-76.9-177-2900112F202 F217 Q218 W223 I224 M225F202-Q221 HydrophobicContact CE1-CG 4.39Å; F202-Q221 HydrophobicContact CZ-CG 3.84Å; F217-Q221 HydrophobicContact CE1-CG 4.41Å; F217-Q221 VanDerWaalsContact CE1-NE2 3.27Å; F217-Q221 HydrophobicContact CE2-CG 4.26Å; F217-Q221 HydrophobicContact CZ-CG 4.19Å; F217-Q221 WeakPolarHBondContact O-CG 3.17Å; F217-Q221 PolarHBondContact O-N 3.1Å; Q218-Q221 PolarHBondContact O-N 3.43Å; Q221-W223 VanDerWaalsContact C-N 3.3Å; Q221-W223 PolarHBondContact O-N 3.08Å; Q221-I224 PolarHBondContact O-N 3.22Å; Q221-M225 WeakPolarHBondContact O-CB 3.08Å; Q221-M225 PolarHBondContact O-N 3.36Å
222F90.9Very high90.2Very high121 Ų12163.7 Ų63.753%0.53133%0.328SS..Hα-helixtrans-61.6-39.9176.9-175.4-95.3000111.8Q218 T219 M225 E226Q218-F222 WeakPolarHBondContact O-CB 3.34Å; Q218-F222 PolarHBondContact O-N 3.39Å; T219-F222 PolarHBondContact O-N 2.93Å; F222-M225 HydrophobicContact CD2-CE 3.42Å; F222-M225 VanDerWaalsContact CD2-CE 3.42Å; F222-M225 HydrophobicContact CE2-CE 3.54Å; F222-M225 HydrophobicContact CG-CE 4.35Å; F222-M225 PolarHBondContact O-N 2.84Å; F222-E226 HydrophobicContact CD1-CG 4.19Å; F222-E226 HydrophobicContact CE1-CG 3.63Å; F222-E226 HydrophobicContact CE2-CG 4.22Å; F222-E226 HydrophobicContact CZ-CG 3.64Å; F222-E226 PolarHBondContact O-N 3.08Å
223W90.6Very high90.3Very high127 Ų12763.5 Ų63.548%0.48132%0.321SS..Hα-helixtrans-61.7-47.7174.7177.589.9000112.2P200 T219 S220 Q221 M225 E226 K227P200-W223 HydrophobicContact CB-CH2 4.07Å; P200-W223 HydrophobicContact CB-CZ3 3.72Å; P200-W223 HydrophobicContact CG-CH2 4.48Å; P200-W223 HydrophobicContact CG-CZ3 4.3Å; T219-W223 WeakPolarHBondContact O-CB 3.33Å; T219-W223 PolarHBondContact O-N 3.16Å; S220-W223 PolarHBondContact O-N 2.86Å; Q221-W223 VanDerWaalsContact C-N 3.3Å; Q221-W223 PolarHBondContact O-N 3.08Å; W223-M225 VanDerWaalsContact C-N 3.28Å; W223-M225 PolarHBondContact O-N 2.89Å; W223-E226 PolarHBondContact O-N 3.21Å; W223-K227 HydrophobicContact CD2-CG 3.93Å; W223-K227 HydrophobicContact CE3-CG 4.34Å; W223-K227 HydrophobicContact CG-CG 4.43Å; W223-K227 HydrophobicContact CH2-CG 4.32Å; W223-K227 HydrophobicContact CZ2-CD 4.25Å; W223-K227 HydrophobicContact CZ2-CG 3.92Å; W223-K227 VanDerWaalsContact O-CB 3.24Å; W223-K227 WeakPolarHBondContact O-CB 3.38Å; W223-K227 WeakPolarHBondContact O-CG 3.48Å; W223-K227 PolarHBondContact O-N 2.88Å
224I90.1Very high90.1Very high5 Ų563 Ų633%0.02631%0.313CS..Hα-helixtrans-57.4-45175.8-69.4177.1000110.2Q199 F202 S220 Q221 K227 T228 L252Q199-I224 HydrophobicContact CG-CG2 3.4Å; Q199-I224 VanDerWaalsContact CG-CG2 3.4Å; F202-I224 HydrophobicContact CD1-CD1 3.7Å; F202-I224 HydrophobicContact CD2-CD1 3.95Å; F202-I224 HydrophobicContact CE1-CD1 3.45Å; F202-I224 VanDerWaalsContact CE1-CD1 3.45Å; F202-I224 HydrophobicContact CE2-CD1 3.72Å; F202-I224 HydrophobicContact CG-CD1 3.94Å; F202-I224 HydrophobicContact CZ-CD1 3.46Å; F202-I224 VanDerWaalsContact CZ-CD1 3.46Å; S220-I224 WeakPolarHBondContact O-CG1 3.27Å; S220-I224 PolarHBondContact O-N 3.1Å; Q221-I224 PolarHBondContact O-N 3.22Å; I224-K227 WeakPolarHBondContact O-CB 3.26Å; I224-K227 PolarHBondContact O-N 2.91Å; I224-T228 PolarHBondContact O-N 3.45Å; I224-T228 PolarHBondContact O-OG1 3.01Å; I224-T228 VanDerWaalsContact O-OG1 3.13Å; I224-L252 HydrophobicContact CG2-CD2 4.39Å
225M92.1Very high89.9Confident54 Ų5457.4 Ų57.427%0.26629%0.286SS..Hα-helixtrans-61.4-53.1179.6-179.7-175.47100112.8Q221 F222 W223 K227 T228 K229 L252 Y256Q221-M225 WeakPolarHBondContact O-CB 3.08Å; Q221-M225 PolarHBondContact O-N 3.36Å; F222-M225 HydrophobicContact CD2-CE 3.42Å; F222-M225 VanDerWaalsContact CD2-CE 3.42Å; F222-M225 HydrophobicContact CE2-CE 3.54Å; F222-M225 HydrophobicContact CG-CE 4.35Å; F222-M225 PolarHBondContact O-N 2.84Å; W223-M225 VanDerWaalsContact C-N 3.28Å; W223-M225 PolarHBondContact O-N 2.89Å; M225-K227 VanDerWaalsContact C-N 3.25Å; M225-K227 PolarHBondContact O-N 2.9Å; M225-T228 PolarHBondContact O-N 3.14Å; M225-K229 VanDerWaalsContact O-CB 3.3Å; M225-K229 WeakPolarHBondContact O-CB 3.29Å; M225-K229 PolarHBondContact O-N 3.24Å; M225-L252 HydrophobicContact CB-CD2 4.28Å; M225-L252 HydrophobicContact CG-CD1 4.32Å; M225-Y256 HydrophobicContact CG-CE2 3.96Å; M225-Y256 WeakPolarHBondContact CG-OH 3.28Å
226E90.9Very high89.9Confident68 Ų6858.1 Ų58.132%0.31828%0.279SS..Hα-helixtrans-65.4-31.8179.3-74.3-60.6114.900111.7F222 W223 K229 A230F222-E226 HydrophobicContact CD1-CG 4.19Å; F222-E226 HydrophobicContact CE1-CG 3.63Å; F222-E226 HydrophobicContact CE2-CG 4.22Å; F222-E226 HydrophobicContact CZ-CG 3.64Å; F222-E226 PolarHBondContact O-N 3.08Å; W223-E226 PolarHBondContact O-N 3.21Å; E226-K229 VanDerWaalsContact CD-NZ 3.29Å; E226-K229 WeakPolarHBondContact OE1-CD 3.42Å; E226-K229 IonicContact OE1-NZ 2.74Å; E226-K229 PolarHBondContact OE1-NZ 3.42Å; E226-K229 IonicContact OE2-NZ 2.97Å; E226-K229 PolarHBondContact OE2-NZ 3.15Å; E226-A230 VanDerWaalsContact O-CB 3.31Å; E226-A230 WeakPolarHBondContact O-CB 3.39Å; E226-A230 PolarHBondContact O-N 3.49Å
227K87.8Confident89.8Confident22 Ų2258 Ų5810%0.09629%0.287CS..Hα-helixtrans-63.4-53.1171.9-80.2-70.2-160.1169.30112.7P200 W223 I224 M225 K229 A230 I231 F291P200-K227 HydrophobicContact CG-CB 3.98Å; W223-K227 HydrophobicContact CD2-CG 3.93Å; W223-K227 HydrophobicContact CE3-CG 4.34Å; W223-K227 HydrophobicContact CG-CG 4.43Å; W223-K227 HydrophobicContact CH2-CG 4.32Å; W223-K227 HydrophobicContact CZ2-CD 4.25Å; W223-K227 HydrophobicContact CZ2-CG 3.92Å; W223-K227 VanDerWaalsContact O-CB 3.24Å; W223-K227 WeakPolarHBondContact O-CB 3.38Å; W223-K227 WeakPolarHBondContact O-CG 3.48Å; W223-K227 PolarHBondContact O-N 2.88Å; I224-K227 WeakPolarHBondContact O-CB 3.26Å; I224-K227 PolarHBondContact O-N 2.91Å; M225-K227 VanDerWaalsContact C-N 3.25Å; M225-K227 PolarHBondContact O-N 2.9Å; K227-K229 VanDerWaalsContact C-N 3.27Å; K227-K229 PolarHBondContact O-N 2.98Å; K227-A230 WeakPolarHBondContact O-CB 3.39Å; K227-A230 PolarHBondContact O-N 3.14Å; K227-A230 VanDerWaalsContact O-N 3.13Å; K227-I231 WeakPolarHBondContact O-CG1 3.33Å; K227-I231 PolarHBondContact O-N 3.42Å; K227-F291 HydrophobicContact CD-CE1 3.65Å; K227-F291 HydrophobicContact CD-CE2 3.99Å; K227-F291 HydrophobicContact CD-CZ 3.35Å; K227-F291 HydrophobicContact CG-CZ 4.36Å; K227-F291 VanDerWaalsContact NZ-CE1 3.29Å; K227-F291 VanDerWaalsContact NZ-CG 3.31Å
228T90.5Very high89.7Confident0 Ų057.7 Ų57.70%029%0.287CS..Hα-helixtrans-59.3-41.9178.3-61.80000111I224 M225 A230 I231 M232 L252 V253 Y256I224-T228 PolarHBondContact O-N 3.45Å; I224-T228 PolarHBondContact O-OG1 3.01Å; I224-T228 VanDerWaalsContact O-OG1 3.13Å; M225-T228 PolarHBondContact O-N 3.14Å; T228-A230 PolarHBondContact O-N 3.09Å; T228-I231 PolarHBondContact O-N 3.02Å; T228-M232 WeakPolarHBondContact O-CG 3.45Å; T228-M232 PolarHBondContact O-N 3.29Å; T228-L252 HydrophobicContact CG2-CG 4.42Å; T228-V253 HydrophobicContact CG2-CG2 3.96Å; T228-Y256 HydrophobicContact CG2-CD2 4.09Å
229K91.9Very high89.6Confident55 Ų5556.1 Ų56.124%0.23928%0.282CS..Hα-helixtrans-60.8-42.9174.5-179.4-173.2176.2-164.90112.4M225 E226 K227 M232 K233 Y256M225-K229 VanDerWaalsContact O-CB 3.3Å; M225-K229 WeakPolarHBondContact O-CB 3.29Å; M225-K229 PolarHBondContact O-N 3.24Å; E226-K229 VanDerWaalsContact CD-NZ 3.29Å; E226-K229 WeakPolarHBondContact OE1-CD 3.42Å; E226-K229 IonicContact OE1-NZ 2.74Å; E226-K229 PolarHBondContact OE1-NZ 3.42Å; E226-K229 IonicContact OE2-NZ 2.97Å; E226-K229 PolarHBondContact OE2-NZ 3.15Å; K227-K229 VanDerWaalsContact C-N 3.27Å; K227-K229 PolarHBondContact O-N 2.98Å; K229-M232 PolarHBondContact O-N 3.1Å; K229-K233 WeakPolarHBondContact O-CG 3.2Å; K229-K233 PolarHBondContact O-N 2.89Å; K229-Y256 HydrophobicContact CB-CD1 4.14Å; K229-Y256 HydrophobicContact CB-CD2 4.22Å; K229-Y256 HydrophobicContact CB-CE1 3.92Å; K229-Y256 HydrophobicContact CB-CE2 3.97Å; K229-Y256 HydrophobicContact CB-CG 4.3Å; K229-Y256 HydrophobicContact CD-CE1 4.03Å; K229-Y256 HydrophobicContact CG-CD1 4.07Å; K229-Y256 HydrophobicContact CG-CE1 3.79Å
230A90Very high89.6Confident43 Ų4351.5 Ų51.536%0.35525%0.254SS..Hα-helixtrans-63.7-42.8176.900000111.9E226 K227 T228 K233 H234E226-A230 VanDerWaalsContact O-CB 3.31Å; E226-A230 WeakPolarHBondContact O-CB 3.39Å; E226-A230 PolarHBondContact O-N 3.49Å; K227-A230 WeakPolarHBondContact O-CB 3.39Å; K227-A230 PolarHBondContact O-N 3.14Å; K227-A230 VanDerWaalsContact O-N 3.13Å; T228-A230 PolarHBondContact O-N 3.09Å; A230-K233 PolarHBondContact O-N 2.81Å; A230-H234 WeakPolarHBondContact O-CB 3.23Å; A230-H234 PolarHBondContact O-N 3.46Å
231I88.4Confident89.8Confident20 Ų2052.3 Ų52.310%0.10325%0.253CS..Hα-helixtrans-61-45.9175.7-64.7166.5000110.5I198 K227 T228 K233 H234 L235I198-I231 HydrophobicContact CG2-CB 4.36Å; I198-I231 HydrophobicContact CG2-CD1 4.09Å; I198-I231 HydrophobicContact CG2-CG2 3.73Å; K227-I231 WeakPolarHBondContact O-CG1 3.33Å; K227-I231 PolarHBondContact O-N 3.42Å; T228-I231 PolarHBondContact O-N 3.02Å; I231-K233 PolarHBondContact O-N 3.31Å; I231-H234 WeakPolarHBondContact O-CB 3.18Å; I231-H234 PolarHBondContact O-N 3.39Å; I231-H234 VanDerWaalsContact O-N 3.14Å; I231-L235 HydrophobicContact CG2-CD1 4.39Å; I231-L235 WeakPolarHBondContact O-CG 3.32Å; I231-L235 PolarHBondContact O-N 3.43Å
232M91.1Very high89.9Confident0 Ų048 Ų480%023%0.233CC..Hα-helixtrans-64.6-39.2178.8-70.1-61.6167.600113I198 T228 K229 H234 L235 H236 L243 V253 A257 I262I198-M232 HydrophobicContact CD1-CE 3.96Å; I198-M232 HydrophobicContact CG2-CE 4.29Å; T228-M232 WeakPolarHBondContact O-CG 3.45Å; T228-M232 PolarHBondContact O-N 3.29Å; K229-M232 PolarHBondContact O-N 3.1Å; M232-H234 VanDerWaalsContact C-N 3.31Å; M232-H234 PolarHBondContact O-N 2.8Å; M232-L235 PolarHBondContact O-N 3.49Å; M232-L235 HydrophobicContact SD-CD1 4.11Å; M232-H236 WeakPolarHBondContact O-CB 3.26Å; M232-H236 PolarHBondContact O-N 3.27Å; M232-L243 HydrophobicContact CE-CD2 4.44Å; M232-V253 HydrophobicContact CE-CB 4.21Å; M232-V253 HydrophobicContact CE-CG1 3.18Å; M232-A257 HydrophobicContact CE-CB 4.43Å; M232-A257 HydrophobicContact SD-CB 4.16Å; M232-I262 HydrophobicContact SD-CD1 4.1Å
233K90.6Very high90.1Very high119 Ų11942.3 Ų42.352%0.51721%0.208SC..Hα-helixtrans-63.6-37.7172.6-77.9-175.2175.4-171.70112.1K229 A230 I231 H236 S237K229-K233 WeakPolarHBondContact O-CG 3.2Å; K229-K233 PolarHBondContact O-N 2.89Å; A230-K233 PolarHBondContact O-N 2.81Å; I231-K233 PolarHBondContact O-N 3.31Å; K233-H236 PolarHBondContact O-N 2.89Å; K233-S237 PolarHBondContact O-N 3.45Å
234H88.3Confident90.2Very high44 Ų4436.3 Ų36.320%0.20419%0.185CC..Hα-helixtrans-65.6-45175.4-177.880.3000111.4A230 I231 M232 H236 S237 Q238A230-H234 WeakPolarHBondContact O-CB 3.23Å; A230-H234 PolarHBondContact O-N 3.46Å; I231-H234 WeakPolarHBondContact O-CB 3.18Å; I231-H234 PolarHBondContact O-N 3.39Å; I231-H234 VanDerWaalsContact O-N 3.14Å; M232-H234 VanDerWaalsContact C-N 3.31Å; M232-H234 PolarHBondContact O-N 2.8Å; H234-H236 VanDerWaalsContact C-N 3.29Å; H234-H236 PolarHBondContact O-N 3.35Å; H234-S237 PolarHBondContact O-N 3.11Å; H234-S237 PolarHBondContact O-OG 3.28Å; H234-Q238 WeakPolarHBondContact O-CG 3.19Å; H234-Q238 PolarHBondContact O-N 2.84Å; H234-Q238 VanDerWaalsContact O-N 3.1Å
235L88.8Confident90.3Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-59.8-41.8174-68.2177.4000111.5V192 I231 M232 Q238 N239 V240 I262 P297V192-L235 HydrophobicContact CG2-CD2 4.14Å; I231-L235 HydrophobicContact CG2-CD1 4.39Å; I231-L235 WeakPolarHBondContact O-CG 3.32Å; I231-L235 PolarHBondContact O-N 3.43Å; M232-L235 PolarHBondContact O-N 3.49Å; M232-L235 HydrophobicContact SD-CD1 4.11Å; L235-Q238 CarbonylContact O-C 3.47Å; L235-Q238 PolarHBondContact O-N 3.38Å; L235-N239 PolarHBondContact O-N 2.95Å; L235-V240 HydrophobicContact CB-CB 4.18Å; L235-V240 HydrophobicContact CD2-CG2 4.33Å; L235-V240 VanDerWaalsContact O-CB 3.27Å; L235-V240 WeakPolarHBondContact O-CB 3.44Å; L235-V240 WeakPolarHBondContact O-CG2 3.33Å; L235-V240 PolarHBondContact O-N 3.44Å; L235-I262 HydrophobicContact CB-CD1 3.93Å; L235-P297 HydrophobicContact CD2-CG 4.35Å
236H89.6Confident90.4Very high77 Ų7735.1 Ų35.136%0.35618%0.183SC..Hα-helixtrans-64.5-41.4176.1-177.6-96.3000113.1M232 K233 H234 Q238 N239 K241 N260M232-H236 WeakPolarHBondContact O-CB 3.26Å; M232-H236 PolarHBondContact O-N 3.27Å; K233-H236 PolarHBondContact O-N 2.89Å; H234-H236 VanDerWaalsContact C-N 3.29Å; H234-H236 PolarHBondContact O-N 3.35Å; H236-Q238 PolarHBondContact O-N 2.97Å; H236-N239 WeakPolarHBondContact O-CA 2.96Å; H236-N239 PolarHBondContact O-N 3.31Å; H236-K241 PolarHBondContact NE2-NZ 2.79Å; H236-N260 HydrophobicContact CB-CB 4.12Å; H236-N260 PolarHBondContact CD2-O 3.26Å
237S87.6Confident90.4Very high80 Ų8034.1 Ų34.156%0.55918%0.182SC*.Hα-helixtrans-64.5-26.8176.571.40000112.1K233 H234 N239K233-S237 PolarHBondContact O-N 3.45Å; H234-S237 PolarHBondContact O-N 3.11Å; H234-S237 PolarHBondContact O-OG 3.28Å; S237-N239 PolarHBondContact O-N 3.31Å
238Q85.4Confident90.6Very high51 Ų5139.5 Ų39.524%0.23821%0.205CC..THydrogen-bonded Turntrans-82.416.7169-59.8-56.7-34.400113.3R190 H234 L235 H236 V240 P297R190-Q238 PolarHBondContact NE-O 3.4Å; R190-Q238 VanDerWaalsContact NH2-C 3.29Å; R190-Q238 PolarHBondContact NH2-O 2.89Å; H234-Q238 WeakPolarHBondContact O-CG 3.19Å; H234-Q238 PolarHBondContact O-N 2.84Å; H234-Q238 VanDerWaalsContact O-N 3.1Å; L235-Q238 CarbonylContact O-C 3.47Å; L235-Q238 PolarHBondContact O-N 3.38Å; H236-Q238 PolarHBondContact O-N 2.97Å; Q238-V240 HydrophobicContact CB-CG2 4.18Å; Q238-V240 PolarHBondContact O-N 3.33Å; Q238-P297 HydrophobicContact CG-CG 4.28Å
239N87.8Confident90.8Very high76 Ų7639.6 Ų39.641%0.40621%0.205SC..THydrogen-bonded Turntrans51.128.4-178.9-163.533.7000114.1R190 L235 H236 S237R190-N239 WeakPolarHBondContact CB-O 3.32Å; L235-N239 PolarHBondContact O-N 2.95Å; H236-N239 WeakPolarHBondContact O-CA 2.96Å; H236-N239 PolarHBondContact O-N 3.31Å; S237-N239 PolarHBondContact O-N 3.31Å
240V90.7Very high90.8Very high0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-74.4128.1173178.70000107.6R190 V192 L235 Q238 L242 T299R190-V240 HydrophobicContact CB-CG2 4.3Å; R190-V240 WeakPolarHBondContact O-CA 3.26Å; V192-V240 HydrophobicContact CB-CG1 4.33Å; V192-V240 HydrophobicContact CG2-CG1 3.87Å; V192-V240 HydrophobicContact CG2-CG2 3.81Å; L235-V240 HydrophobicContact CB-CB 4.18Å; L235-V240 HydrophobicContact CD2-CG2 4.33Å; L235-V240 VanDerWaalsContact O-CB 3.27Å; L235-V240 WeakPolarHBondContact O-CB 3.44Å; L235-V240 WeakPolarHBondContact O-CG2 3.33Å; L235-V240 PolarHBondContact O-N 3.44Å; Q238-V240 HydrophobicContact CB-CG2 4.18Å; Q238-V240 PolarHBondContact O-N 3.33Å; V240-L242 WeakPolarHBondContact CG1-O 3.41Å; V240-T299 HydrophobicContact CG2-CG2 3.68Å
241K92.6Very high90.9Very high47 Ų4743.1 Ų43.120%0.20422%0.223CC..EExtended strand (participates in β ladder)trans-120.6-7.5177.1-56.7-66.5-175.6-177.50112.8A185 M189 R190 H236 S263A185-K241 HydrophobicContact CB-CB 4.17Å; A185-K241 HydrophobicContact CB-CG 4.36Å; M189-K241 HydrophobicContact CB-CB 4.07Å; M189-K241 HydrophobicContact CB-CG 4.44Å; R190-K241 PolarHBondContact O-N 3.17Å; H236-K241 PolarHBondContact NE2-NZ 2.79Å; K241-S263 PolarHBondContact O-N 3.17Å
242L93.3Very high91.1Very high0 Ų044.4 Ų44.40%023%0.23CC..EExtended strand (participates in β ladder)trans-132.2127.4178.8-178.763.1000111.4F179 M189 R190 M191 V192 V240 I244 S263 C305 L318F179-L242 HydrophobicContact CE1-CD1 4.24Å; M189-L242 HydrophobicContact SD-CB 4.11Å; R190-L242 PolarHBondContact O-N 3.42Å; M191-L242 VanDerWaalsContact CA-O 3.29Å; M191-L242 WeakPolarHBondContact CA-O 3.34Å; M191-L242 HydrophobicContact CB-CB 4.15Å; M191-L242 HydrophobicContact CB-CD2 4.17Å; M191-L242 HydrophobicContact CB-CG 4.4Å; M191-L242 HydrophobicContact CG-CB 4.15Å; M191-L242 HydrophobicContact CG-CD2 3.75Å; M191-L242 HydrophobicContact CG-CG 3.9Å; M191-L242 HydrophobicContact SD-CD2 3.74Å; M191-L242 HydrophobicContact SD-CG 4.44Å; V192-L242 PolarHBondContact N-O 3.27Å; V240-L242 WeakPolarHBondContact CG1-O 3.41Å; L242-I244 HydrophobicContact CD2-CD1 4.33Å; L242-I244 HydrophobicContact CD2-CG1 4.27Å; L242-I244 HydrophobicContact CG-CG1 4.17Å; L242-S263 WeakPolarHBondContact CA-O 3.22Å; L242-C305 HydrophobicContact CD1-CB 4.47Å; L242-C305 HydrophobicContact CD2-CB 3.89Å; L242-C305 VanDerWaalsContact CD2-SG 3.57Å; L242-L318 HydrophobicContact CD2-CD1 3.52Å
243L93.3Very high91.2Very high0 Ų044.4 Ų44.40%023%0.23CC..EExtended strand (participates in β ladder)trans-113.4117.5172-176.770.6000109V192 V194 I198 M232 V253 I262 S263 V264 A265V192-L243 HydrophobicContact CB-CD1 4.39Å; V192-L243 HydrophobicContact CG1-CD1 4.39Å; V194-L243 HydrophobicContact CG2-CD1 3.5Å; V194-L243 VanDerWaalsContact CG2-CD1 3.5Å; I198-L243 HydrophobicContact CD1-CD1 3.87Å; I198-L243 HydrophobicContact CD1-CD2 3.52Å; I198-L243 HydrophobicContact CD1-CG 4.3Å; M232-L243 HydrophobicContact CE-CD2 4.44Å; L243-V253 HydrophobicContact CD2-CG1 4.44Å; L243-I262 HydrophobicContact CB-CG2 3.97Å; L243-S263 PolarHBondContact N-O 3.34Å; L243-V264 HydrophobicContact CB-CG2 4.27Å; L243-V264 HydrophobicContact CD2-CG1 4.17Å; L243-V264 HydrophobicContact CD2-CG2 4.15Å; L243-V264 WeakPolarHBondContact O-CA 3.39Å; L243-A265 PolarHBondContact O-N 3.35Å
244I93.1Very high91.3Very high1 Ų139.6 Ų39.61%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-102.9128.3172-67.9-166.5000108.7L175 M191 V192 I193 V194 L242 A265 L268 I276 L318L175-I244 HydrophobicContact CD1-CD1 4.48Å; M191-I244 HydrophobicContact CE-CD1 4.32Å; M191-I244 HydrophobicContact CG-CD1 4.26Å; M191-I244 HydrophobicContact CG-CG1 4.16Å; M191-I244 HydrophobicContact SD-CD1 3.26Å; M191-I244 WeakPolarHBondContact SD-CD1 3.06Å; M191-I244 HydrophobicContact SD-CG1 3.81Å; V192-I244 PolarHBondContact O-N 2.95Å; I193-I244 CarbonylContact C-O 3.44Å; I193-I244 WeakPolarHBondContact CA-O 3.45Å; I193-I244 HydrophobicContact CG1-CB 4.49Å; V194-I244 PolarHBondContact N-O 3.23Å; L242-I244 HydrophobicContact CD2-CD1 4.33Å; L242-I244 HydrophobicContact CD2-CG1 4.27Å; L242-I244 HydrophobicContact CG-CG1 4.17Å; I244-A265 CarbonylContact C-O 2.9Å; I244-A265 WeakPolarHBondContact CA-O 3.31Å; I244-L268 HydrophobicContact CG2-CD1 3.23Å; I244-L268 HydrophobicContact CG2-CG 4.15Å; I244-I276 HydrophobicContact CD1-CD1 3.98Å; I244-L318 HydrophobicContact CD1-CD2 3.82Å
245S93.4Very high91.6Very high0 Ų044.7 Ų44.70%023%0.23CC..EExtended strand (participates in β ladder)trans-126.9132.8-178.3-176.90000112.1V194 V247 Q249 A265 E266 C267 L268V194-S245 WeakPolarHBondContact O-CA 3.25Å; S245-V247 WeakPolarHBondContact CB-O 3.45Å; S245-V247 PolarHBondContact OG-N 3.26Å; S245-V247 PolarHBondContact OG-O 3.43Å; S245-Q249 PolarHBondContact OG-NE2 2.97Å; S245-A265 PolarHBondContact N-O 2.87Å; S245-E266 CarbonylContact O-C 3.57Å; S245-E266 WeakPolarHBondContact O-CA 3.46Å; S245-C267 PolarHBondContact O-N 2.74Å; S245-C267 VanDerWaalsContact O-N 3.07Å; S245-L268 PolarHBondContact O-N 3.02Å; S245-L268 VanDerWaalsContact O-N 3.12Å
246S92.6Very high91.8Very high34 Ų3445.9 Ų45.924%0.23823%0.234CC..SBendtrans-75.6-27.2170.672.20000112.3V194 T195 C267 L268V194-S246 PolarHBondContact O-N 3.12Å; T195-S246 VanDerWaalsContact CA-OG 3.26Å; T195-S246 WeakPolarHBondContact CA-OG 3.28Å; T195-S246 PolarHBondContact O-OG 3.33Å; S246-C267 WeakPolarHBondContact O-CA 3.32Å; S246-L268 WeakPolarHBondContact CA-O 3.35Å
247V91.5Very high92Very high48 Ų4842.2 Ų42.229%0.29122%0.218SC..SBendtrans-103.9163.1178.6-620000111.3T195 E196 T197 S245 Q249T195-V247 WeakPolarHBondContact O-CG1 3.38Å; E196-V247 VanDerWaalsContact C-CG2 3.43Å; T197-V247 HydrophobicContact CG2-CG2 4.17Å; S245-V247 WeakPolarHBondContact CB-O 3.45Å; S245-V247 PolarHBondContact OG-N 3.26Å; S245-V247 PolarHBondContact OG-O 3.43Å; V247-Q249 PolarHBondContact O-N 3.38Å
248K93.3Very high92.3Very high135 Ų13538.7 Ų38.759%0.58719%0.193SC*.PPolyproline II helixtrans-68.3128.9168.8-169.6176.6179.2-176.70109.4
249Q93.1Very high92.6Very high2 Ų240.6 Ų40.61%0.00921%0.209CC..PPolyproline II helixtrans-88.9140.3175.5-67.1-62.6-31.500110.2E196 S245 V247 V253 E266E196-Q249 PolarHBondContact O-NE2 3.38Å; S245-Q249 PolarHBondContact OG-NE2 2.97Å; V247-Q249 PolarHBondContact O-N 3.38Å; Q249-V253 HydrophobicContact CB-CB 4.1Å; Q249-V253 HydrophobicContact CB-CG1 3.95Å; Q249-V253 HydrophobicContact CG-CG1 4.21Å; Q249-E266 PolarHBondContact N-OE2 3.32Å
250P92.7Very high92.8Very high41 Ų4138 Ų3827%0.26620%0.195SC..PPolyproline II helixtrans-60.7153.5175-27.837.4000113.4Q199 L252 V253 S254Q199-P250 HydrophobicContact CB-CB 4.38Å; Q199-P250 HydrophobicContact CB-CG 3.89Å; P250-L252 PolarHBondContact O-N 3.15Å; P250-V253 HydrophobicContact CB-CG2 4.36Å; P250-V253 HydrophobicContact CG-CG2 4.47Å; P250-V253 WeakPolarHBondContact O-CA 3.44Å; P250-V253 VanDerWaalsContact O-CB 3.25Å; P250-V253 WeakPolarHBondContact O-CB 3.37Å; P250-V253 PolarHBondContact O-N 2.65Å; P250-S254 PolarHBondContact O-N 3.16Å
251D92.4Very high92.8Very high131 Ų13139 Ų3970%0.70121%0.205SC*.Hα-helixtrans-57-30.8-176.6-62.4-25.3000113.2V253 S254 Y255D251-V253 VanDerWaalsContact C-N 3.3Å; D251-V253 PolarHBondContact O-N 2.88Å; D251-S254 PolarHBondContact O-N 3.15Å; D251-Y255 WeakPolarHBondContact O-CB 3.4Å; D251-Y255 PolarHBondContact O-N 3.03Å
252L92.4Very high92.9Very high47 Ų4736.8 Ų36.825%0.24620%0.196CC..Hα-helixtrans-62.4-38.3176-165.464.1000112.3I224 M225 T228 P250 Y256I224-L252 HydrophobicContact CG2-CD2 4.39Å; M225-L252 HydrophobicContact CB-CD2 4.28Å; M225-L252 HydrophobicContact CG-CD1 4.32Å; T228-L252 HydrophobicContact CG2-CG 4.42Å; P250-L252 PolarHBondContact O-N 3.15Å; L252-Y256 HydrophobicContact CD1-CD2 4.11Å; L252-Y256 HydrophobicContact CD1-CE2 3.6Å; L252-Y256 HydrophobicContact CG-CD2 4.02Å; L252-Y256 HydrophobicContact CG-CE2 3.86Å; L252-Y256 VanDerWaalsContact O-CD2 3.22Å; L252-Y256 WeakPolarHBondContact O-CD2 3.44Å; L252-Y256 PolarHBondContact O-N 3.3Å; L252-Y256 VanDerWaalsContact O-N 3.07Å
253V92.6Very high93Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-66.6-48.2175.9-179.20000109.3I198 Q199 T228 M232 L243 Q249 P250 D251 Y255 Y256 A257I198-V253 HydrophobicContact CB-CG1 4.22Å; I198-V253 HydrophobicContact CB-CG2 4.26Å; I198-V253 HydrophobicContact CD1-CG1 4.05Å; Q199-V253 HydrophobicContact CB-CG2 3.95Å; T228-V253 HydrophobicContact CG2-CG2 3.96Å; M232-V253 HydrophobicContact CE-CB 4.21Å; M232-V253 HydrophobicContact CE-CG1 3.18Å; L243-V253 HydrophobicContact CD2-CG1 4.44Å; Q249-V253 HydrophobicContact CB-CB 4.1Å; Q249-V253 HydrophobicContact CB-CG1 3.95Å; Q249-V253 HydrophobicContact CG-CG1 4.21Å; P250-V253 HydrophobicContact CB-CG2 4.36Å; P250-V253 HydrophobicContact CG-CG2 4.47Å; P250-V253 WeakPolarHBondContact O-CA 3.44Å; P250-V253 VanDerWaalsContact O-CB 3.25Å; P250-V253 WeakPolarHBondContact O-CB 3.37Å; P250-V253 PolarHBondContact O-N 2.65Å; D251-V253 VanDerWaalsContact C-N 3.3Å; D251-V253 PolarHBondContact O-N 2.88Å; V253-Y255 PolarHBondContact O-N 3.11Å; V253-Y256 PolarHBondContact O-N 2.86Å; V253-A257 WeakPolarHBondContact O-CB 3.25Å; V253-A257 PolarHBondContact O-N 3.06Å
254S93Very high93Very high18 Ų1837 Ų3713%0.12620%0.197CC..Hα-helixtrans-60-43.5176.8-66.50000112.3V181 P250 D251 A257 G258V181-S254 WeakPolarHBondContact CG2-O 3.41Å; P250-S254 PolarHBondContact O-N 3.16Å; D251-S254 PolarHBondContact O-N 3.15Å; S254-A257 PolarHBondContact O-N 3.49Å; S254-G258 PolarHBondContact O-N 2.76Å
255Y94.3Very high93.1Very high150 Ų15037 Ų3759%0.58820%0.197SC*.Hα-helixtrans-59.7-54.7176.8175.8-101.9000111.6D251 V253 A257 G258 V259D251-Y255 WeakPolarHBondContact O-CB 3.4Å; D251-Y255 PolarHBondContact O-N 3.03Å; V253-Y255 PolarHBondContact O-N 3.11Å; Y255-A257 VanDerWaalsContact C-N 3.35Å; Y255-A257 PolarHBondContact O-N 3.39Å; Y255-G258 PolarHBondContact O-N 2.97Å; Y255-V259 HydrophobicContact CE1-CG2 4.15Å; Y255-V259 HydrophobicContact CE2-CG2 4.31Å; Y255-V259 WeakPolarHBondContact O-CG2 3.18Å; Y255-V259 PolarHBondContact O-N 3.43Å
256Y94Very high93.1Very high26 Ų2638.4 Ų38.410%0.10220%0.204CC..Hα-helixtrans-68.9-32-179.7-74.8-58.3000112.9M225 T228 K229 L252 V253 G258 V259 N260M225-Y256 HydrophobicContact CG-CE2 3.96Å; M225-Y256 WeakPolarHBondContact CG-OH 3.28Å; T228-Y256 HydrophobicContact CG2-CD2 4.09Å; K229-Y256 HydrophobicContact CB-CD1 4.14Å; K229-Y256 HydrophobicContact CB-CD2 4.22Å; K229-Y256 HydrophobicContact CB-CE1 3.92Å; K229-Y256 HydrophobicContact CB-CE2 3.97Å; K229-Y256 HydrophobicContact CB-CG 4.3Å; K229-Y256 HydrophobicContact CD-CE1 4.03Å; K229-Y256 HydrophobicContact CG-CD1 4.07Å; K229-Y256 HydrophobicContact CG-CE1 3.79Å; L252-Y256 HydrophobicContact CD1-CD2 4.11Å; L252-Y256 HydrophobicContact CD1-CE2 3.6Å; L252-Y256 HydrophobicContact CG-CD2 4.02Å; L252-Y256 HydrophobicContact CG-CE2 3.86Å; L252-Y256 VanDerWaalsContact O-CD2 3.22Å; L252-Y256 WeakPolarHBondContact O-CD2 3.44Å; L252-Y256 PolarHBondContact O-N 3.3Å; L252-Y256 VanDerWaalsContact O-N 3.07Å; V253-Y256 PolarHBondContact O-N 2.86Å; Y256-G258 VanDerWaalsContact C-N 3.34Å; Y256-V259 PolarHBondContact O-N 3.43Å; Y256-N260 WeakPolarHBondContact O-CB 3.44Å; Y256-N260 PolarHBondContact O-N 3Å; Y256-N260 PolarHBondContact O-ND2 3.08Å
257A93.3Very high93.1Very high0 Ų039.3 Ų39.30%021%0.209CC..Hα-helixtrans-59.7-47.3171.300000110.6M232 V253 S254 Y255 V259 N260 G261 I262 V264M232-A257 HydrophobicContact CE-CB 4.43Å; M232-A257 HydrophobicContact SD-CB 4.16Å; V253-A257 WeakPolarHBondContact O-CB 3.25Å; V253-A257 PolarHBondContact O-N 3.06Å; S254-A257 PolarHBondContact O-N 3.49Å; Y255-A257 VanDerWaalsContact C-N 3.35Å; Y255-A257 PolarHBondContact O-N 3.39Å; A257-V259 PolarHBondContact O-N 2.97Å; A257-N260 CarbonylContact O-C 3.59Å; A257-N260 PolarHBondContact O-N 2.64Å; A257-G261 PolarHBondContact O-N 2.71Å; A257-G261 VanDerWaalsContact O-N 3.08Å; A257-I262 CarbonylContact C-O 3.48Å; A257-I262 HydrophobicContact CB-CB 4.09Å; A257-I262 HydrophobicContact CB-CG2 4.44Å; A257-I262 PolarHBondContact O-N 2.99Å; A257-V264 HydrophobicContact CB-CG2 3.46Å; A257-V264 VanDerWaalsContact CB-CG2 3.46Å
258G92.9Very high93.1Very high5 Ų537.3 Ų37.35%0.05220%0.197CC..Hα-helixtrans-60.2-43.9176.700000113.4R183 S254 Y255 Y256 N260 G261R183-G258 PolarHBondContact NE-O 3.48Å; R183-G258 PolarHBondContact NH2-O 3.45Å; S254-G258 PolarHBondContact O-N 2.76Å; Y255-G258 PolarHBondContact O-N 2.97Å; Y256-G258 VanDerWaalsContact C-N 3.34Å; G258-N260 VanDerWaalsContact C-N 3.29Å; G258-N260 PolarHBondContact O-N 3.27Å; G258-G261 PolarHBondContact O-N 3.34Å; G258-G261 VanDerWaalsContact O-N 3.16Å
259V93.1Very high93.1Very high92 Ų9232.8 Ų32.856%0.55818%0.182SC*.Hα-helixtrans-62.6-36.7176.7173.60000111.8Y255 Y256 A257 G261Y255-V259 HydrophobicContact CE1-CG2 4.15Å; Y255-V259 HydrophobicContact CE2-CG2 4.31Å; Y255-V259 WeakPolarHBondContact O-CG2 3.18Å; Y255-V259 PolarHBondContact O-N 3.43Å; Y256-V259 PolarHBondContact O-N 3.43Å; A257-V259 PolarHBondContact O-N 2.97Å; V259-G261 VanDerWaalsContact C-N 3.29Å; V259-G261 PolarHBondContact O-N 3.09Å
260N91.5Very high92.9Very high21 Ų2136.6 Ų36.611%0.11221%0.209CC..THydrogen-bonded Turntrans-87.68.8178.4-70.1-80.1000113.2H236 Y256 A257 G258 I262H236-N260 HydrophobicContact CB-CB 4.12Å; H236-N260 PolarHBondContact CD2-O 3.26Å; Y256-N260 WeakPolarHBondContact O-CB 3.44Å; Y256-N260 PolarHBondContact O-N 3Å; Y256-N260 PolarHBondContact O-ND2 3.08Å; A257-N260 CarbonylContact O-C 3.59Å; A257-N260 PolarHBondContact O-N 2.64Å; G258-N260 VanDerWaalsContact C-N 3.29Å; G258-N260 PolarHBondContact O-N 3.27Å; N260-I262 VanDerWaalsContact C-N 3.31Å; N260-I262 HydrophobicContact CB-CD1 4.19Å; N260-I262 HydrophobicContact CB-CG1 4.29Å; N260-I262 PolarHBondContact O-N 2.8Å
261G91.1Very high92.9Very high22 Ų2238.9 Ų38.923%0.22722%0.216CC..THydrogen-bonded Turntrans6729.2178.200000114.3A257 G258 V259A257-G261 PolarHBondContact O-N 2.71Å; A257-G261 VanDerWaalsContact O-N 3.08Å; G258-G261 PolarHBondContact O-N 3.34Å; G258-G261 VanDerWaalsContact O-N 3.16Å; V259-G261 VanDerWaalsContact C-N 3.29Å; V259-G261 PolarHBondContact O-N 3.09Å
262I93.4Very high92.8Very high0 Ų033.1 Ų33.10%019%0.185CC..  trans-99.9126.3177.7-57.5174000108.6M232 L235 L243 A257 N260M232-I262 HydrophobicContact SD-CD1 4.1Å; L235-I262 HydrophobicContact CB-CD1 3.93Å; L243-I262 HydrophobicContact CB-CG2 3.97Å; A257-I262 CarbonylContact C-O 3.48Å; A257-I262 HydrophobicContact CB-CB 4.09Å; A257-I262 HydrophobicContact CB-CG2 4.44Å; A257-I262 PolarHBondContact O-N 2.99Å; N260-I262 VanDerWaalsContact C-N 3.31Å; N260-I262 HydrophobicContact CB-CD1 4.19Å; N260-I262 HydrophobicContact CB-CG1 4.29Å; N260-I262 PolarHBondContact O-N 2.8Å
263S94.9Very high92.7Very high5 Ų531.2 Ų31.24%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-78.8140.2169.7-70.50000110.7V181 R183 K241 L242 L243V181-S263 CarbonylContact O-C 3.46Å; V181-S263 VanDerWaalsContact O-CA 3.24Å; V181-S263 WeakPolarHBondContact O-CA 3.35Å; R183-S263 PolarHBondContact N-OG 3.25Å; R183-S263 PolarHBondContact O-OG 3.09Å; K241-S263 PolarHBondContact O-N 3.17Å; L242-S263 WeakPolarHBondContact CA-O 3.22Å; L243-S263 PolarHBondContact N-O 3.34Å
264V94.4Very high92.6Very high0 Ų033.8 Ų33.80%019%0.194CC..EExtended strand (participates in β ladder)trans-123.4123.1-178.1-1750000109.9F179 S180 V181 L243 A257F179-V264 WeakPolarHBondContact CA-O 3.32Å; S180-V264 PolarHBondContact N-O 3.26Å; V181-V264 HydrophobicContact CB-CB 4.16Å; V181-V264 HydrophobicContact CB-CG2 4.14Å; V181-V264 HydrophobicContact CG2-CB 4.47Å; V181-V264 HydrophobicContact CG2-CG2 4.4Å; V181-V264 PolarHBondContact N-O 3.03Å; V181-V264 PolarHBondContact O-N 3.4Å; L243-V264 HydrophobicContact CB-CG2 4.27Å; L243-V264 HydrophobicContact CD2-CG1 4.17Å; L243-V264 HydrophobicContact CD2-CG2 4.15Å; L243-V264 WeakPolarHBondContact O-CA 3.39Å; A257-V264 HydrophobicContact CB-CG2 3.46Å; A257-V264 VanDerWaalsContact CB-CG2 3.46Å
265A94.3Very high92.5Very high0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-116.5120167.500000108.4F179 L243 I244 S245 V316F179-A265 HydrophobicContact CD1-CB 4.47Å; L243-A265 PolarHBondContact O-N 3.35Å; I244-A265 CarbonylContact C-O 2.9Å; I244-A265 WeakPolarHBondContact CA-O 3.31Å; S245-A265 PolarHBondContact N-O 2.87Å; A265-V316 HydrophobicContact CB-CG2 4.01Å
266E94Very high92.4Very high30 Ų3026 Ų2614%0.1416%0.16CC..  trans-122.1170.2-171.377.2-171.2159.500113.3S180 S245 Q249 L268S180-E266 WeakPolarHBondContact CB-OE1 3.27Å; S180-E266 WeakPolarHBondContact OG-CG 3.48Å; S180-E266 PolarHBondContact OG-OE1 3.48Å; S245-E266 CarbonylContact O-C 3.57Å; S245-E266 WeakPolarHBondContact O-CA 3.46Å; Q249-E266 PolarHBondContact N-OE2 3.32Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 3.03Å
267C92.4Very high92.1Very high52 Ų5229.6 Ų29.635%0.35117%0.174SC..  trans57.236.9179.9-610000113.8K177 S245 S246K177-C267 WeakPolarHBondContact CE-O 3.31Å; S245-C267 PolarHBondContact O-N 2.74Å; S245-C267 VanDerWaalsContact O-N 3.07Å; S246-C267 WeakPolarHBondContact O-CA 3.32Å
268L92.7Very high91.8Very high6 Ų635 Ų353%0.03119%0.194CC..  trans-69.3144.8170.2-63.3-166.1000111.1L175 K177 I244 S245 S246 E266 E272 V273 I276L175-L268 HydrophobicContact CB-CD2 4.22Å; L175-L268 HydrophobicContact CD1-CD1 3.89Å; L175-L268 HydrophobicContact CD1-CD2 4.09Å; K177-L268 HydrophobicContact CB-CD2 4.27Å; K177-L268 HydrophobicContact CG-CD2 3.95Å; I244-L268 HydrophobicContact CG2-CD1 3.23Å; I244-L268 HydrophobicContact CG2-CG 4.15Å; S245-L268 PolarHBondContact O-N 3.02Å; S245-L268 VanDerWaalsContact O-N 3.12Å; S246-L268 WeakPolarHBondContact CA-O 3.35Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 3.03Å; L268-E272 HydrophobicContact CB-CB 4.38Å; L268-V273 HydrophobicContact CB-CG2 3.83Å; L268-V273 HydrophobicContact CD1-CG2 4.41Å; L268-I276 HydrophobicContact CD1-CD1 4.04Å
269S92.1Very high91.6Very high40 Ų4034.8 Ų34.828%0.2819%0.192SC..  trans-63.6157.7174.160.60000112E271 E272 V273S269-E271 WeakPolarHBondContact CB-OE2 3.43Å; S269-E271 PolarHBondContact O-N 3.06Å; S269-E272 PolarHBondContact N-OE2 3.2Å; S269-E272 PolarHBondContact O-N 2.85Å; S269-E272 WeakPolarHBondContact OG-CB 3.41Å; S269-E272 WeakPolarHBondContact OG-CG 3.49Å; S269-E272 PolarHBondContact OG-N 3.01Å; S269-E272 VanDerWaalsContact OG-N 3.13Å; S269-E272 PolarHBondContact OG-OE2 2.67Å; S269-V273 WeakPolarHBondContact O-CG2 3.29Å; S269-V273 PolarHBondContact O-N 2.96Å; S269-V273 VanDerWaalsContact O-N 3.08Å
270S90Very high91.2Very high82 Ų8231 Ų3157%0.57317%0.168SC*.Hα-helixtrans-58.3-34.1173.931.30000111.9S274S270-S274 VanDerWaalsContact O-CB 3.23Å; S270-S274 WeakPolarHBondContact O-CB 3.21Å; S270-S274 PolarHBondContact O-N 2.94Å
271E91.1Very high90.6Very high89 Ų8932.8 Ų32.842%0.41619%0.192SC..Hα-helixtrans-70.9-46.1-178.9-62.365.9-140.900111E154 S269 V273 S274 L275E154-E271 HydrophobicContact CG-CB 3.97Å; E154-E271 WeakPolarHBondContact OE1-CB 3.38Å; S269-E271 WeakPolarHBondContact CB-OE2 3.43Å; S269-E271 PolarHBondContact O-N 3.06Å; E271-V273 PolarHBondContact O-N 3.4Å; E271-S274 WeakPolarHBondContact O-CB 3.5Å; E271-S274 PolarHBondContact O-N 3.16Å; E271-L275 WeakPolarHBondContact O-CB 3.49Å; E271-L275 PolarHBondContact O-N 3.18Å
272E91.6Very high90Very high11 Ų1132.5 Ų32.55%0.05119%0.185CC..Hα-helixtrans-60.7-44.1174.3-76.9167.6128.300111.3E154 Q176 L268 S269 L275 I276E154-E272 HydrophobicContact CB-CG 4.23Å; E154-E272 HydrophobicContact CG-CG 3.79Å; Q176-E272 PolarHBondContact N-OE1 3.49Å; L268-E272 HydrophobicContact CB-CB 4.38Å; S269-E272 PolarHBondContact N-OE2 3.2Å; S269-E272 PolarHBondContact O-N 2.85Å; S269-E272 WeakPolarHBondContact OG-CB 3.41Å; S269-E272 WeakPolarHBondContact OG-CG 3.49Å; S269-E272 PolarHBondContact OG-N 3.01Å; S269-E272 VanDerWaalsContact OG-N 3.13Å; S269-E272 PolarHBondContact OG-OE2 2.67Å; E272-L275 PolarHBondContact O-N 3.28Å; E272-I276 VanDerWaalsContact O-CG1 3.25Å; E272-I276 WeakPolarHBondContact O-CG1 3.34Å; E272-I276 PolarHBondContact O-N 3.25Å
273V90.8Very high89.1Confident6 Ų635 Ų354%0.03620%0.202CC..Hα-helixtrans-65.6-41.8178173.80000110.9I193 L268 S269 E271 I276 R277I193-V273 HydrophobicContact CG2-CG1 3.92Å; L268-V273 HydrophobicContact CB-CG2 3.83Å; L268-V273 HydrophobicContact CD1-CG2 4.41Å; S269-V273 WeakPolarHBondContact O-CG2 3.29Å; S269-V273 PolarHBondContact O-N 2.96Å; S269-V273 VanDerWaalsContact O-N 3.08Å; E271-V273 PolarHBondContact O-N 3.4Å; V273-I276 PolarHBondContact O-N 3.46Å; V273-R277 HydrophobicContact CG1-CG 4.38Å; V273-R277 WeakPolarHBondContact O-CB 3.1Å; V273-R277 WeakPolarHBondContact O-CG 3.38Å; V273-R277 PolarHBondContact O-N 2.85Å
274S90.4Very high88.2Confident55 Ų5536 Ų3639%0.38521%0.209SC..Hα-helixtrans-60.3-44.9175.1-173.80000111.7S270 E271 R277 R278S270-S274 VanDerWaalsContact O-CB 3.23Å; S270-S274 WeakPolarHBondContact O-CB 3.21Å; S270-S274 PolarHBondContact O-N 2.94Å; E271-S274 WeakPolarHBondContact O-CB 3.5Å; E271-S274 PolarHBondContact O-N 3.16Å; S274-R277 PolarHBondContact O-N 3.19Å; S274-R278 WeakPolarHBondContact O-CB 3.23Å; S274-R278 PolarHBondContact O-N 3.33Å
275L90.8Very high87.2Confident3 Ų336.9 Ų36.92%0.01621%0.212CC..Hα-helixtrans-59.4-50.5176.817661.7000111.6L147 H151 E154 L155 L173 E271 E272 R277 R278 I279L147-L275 HydrophobicContact CD2-CD1 3.92Å; L147-L275 HydrophobicContact CG-CD1 4.47Å; H151-L275 HydrophobicContact CB-CB 4.44Å; H151-L275 HydrophobicContact CB-CD1 3.82Å; H151-L275 HydrophobicContact CB-CD2 4.27Å; H151-L275 HydrophobicContact CB-CG 4.39Å; E154-L275 HydrophobicContact CB-CD2 3.87Å; L155-L275 HydrophobicContact CD2-CD2 3.87Å; L155-L275 HydrophobicContact CG-CD2 4.1Å; L173-L275 HydrophobicContact CD1-CD2 4.28Å; L173-L275 HydrophobicContact CD1-CG 4.47Å; L173-L275 HydrophobicContact CD2-CD2 4.2Å; E271-L275 WeakPolarHBondContact O-CB 3.49Å; E271-L275 PolarHBondContact O-N 3.18Å; E272-L275 PolarHBondContact O-N 3.28Å; L275-R277 VanDerWaalsContact C-N 3.32Å; L275-R277 PolarHBondContact O-N 3.09Å; L275-R278 PolarHBondContact O-N 2.83Å; L275-I279 HydrophobicContact CD1-CD1 3.64Å; L275-I279 HydrophobicContact CD1-CG1 4.13Å; L275-I279 HydrophobicContact CG-CD1 3.76Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.24Å; L275-I279 PolarHBondContact O-N 2.72Å
276I91Very high86Confident0 Ų041.5 Ų41.50%024%0.241CC..Hα-helixtrans-60.2-44.5178.9-65166.2000110.3L173 L175 M191 I193 I244 L268 E272 V273 R278 I279 I280 L318 L320L173-I276 HydrophobicContact CD1-CG1 3.93Å; L175-I276 HydrophobicContact CD1-CD1 4.49Å; L175-I276 HydrophobicContact CD2-CD1 4.15Å; M191-I276 HydrophobicContact CE-CG2 3.82Å; I193-I276 HydrophobicContact CD1-CB 4.44Å; I193-I276 HydrophobicContact CD1-CG2 3.65Å; I244-I276 HydrophobicContact CD1-CD1 3.98Å; L268-I276 HydrophobicContact CD1-CD1 4.04Å; E272-I276 VanDerWaalsContact O-CG1 3.25Å; E272-I276 WeakPolarHBondContact O-CG1 3.34Å; E272-I276 PolarHBondContact O-N 3.25Å; V273-I276 PolarHBondContact O-N 3.46Å; I276-R278 VanDerWaalsContact C-N 3.31Å; I276-R278 PolarHBondContact O-N 3.02Å; I276-I279 PolarHBondContact O-N 2.86Å; I276-I280 HydrophobicContact CG2-CD1 3.61Å; I276-I280 HydrophobicContact CG2-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CG1 3.34Å; I276-I280 PolarHBondContact O-N 2.74Å; I276-L318 HydrophobicContact CD1-CD2 4.31Å; I276-L320 HydrophobicContact CG1-CD1 4.48Å; I276-L320 HydrophobicContact CG2-CD1 4.31Å
277R89.3Confident84.6Confident102 Ų10241.2 Ų41.239%0.38524%0.241SC..Hα-helixtrans-61.1-39.9176.9-72.9174.466.8-175.2-0.6112I193 V273 S274 L275 G281 L282I193-R277 HydrophobicContact CD1-CG 3.98Å; V273-R277 HydrophobicContact CG1-CG 4.38Å; V273-R277 WeakPolarHBondContact O-CB 3.1Å; V273-R277 WeakPolarHBondContact O-CG 3.38Å; V273-R277 PolarHBondContact O-N 2.85Å; S274-R277 PolarHBondContact O-N 3.19Å; L275-R277 VanDerWaalsContact C-N 3.32Å; L275-R277 PolarHBondContact O-N 3.09Å; R277-G281 WeakPolarHBondContact O-CA 3.46Å; R277-G281 PolarHBondContact O-N 3.26Å; R277-L282 WeakPolarHBondContact CG-O 3.49Å; R277-L282 PolarHBondContact NE-O 3.24Å; R277-L282 PolarHBondContact O-N 2.85Å
278R87Confident83.1Confident114 Ų11440.6 Ų40.643%0.4324%0.237SC..Hα-helixtrans-71.5-34.3179.3-167.5169.3176.7152.8-6.4112.9L147 S274 L275 I276L147-R278 HydrophobicContact CD1-CB 4.36Å; L147-R278 HydrophobicContact CD1-CG 3.67Å; S274-R278 WeakPolarHBondContact O-CB 3.23Å; S274-R278 PolarHBondContact O-N 3.33Å; L275-R278 PolarHBondContact O-N 2.83Å; I276-R278 VanDerWaalsContact C-N 3.31Å; I276-R278 PolarHBondContact O-N 3.02Å
279I87.1Confident81.5Confident0 Ų049.6 Ų49.60%028%0.279CS..Hα-helixtrans-71.3-41.1178.4-69.9166000111.7L173 L275 I276 L320 T323 F326 P328L173-I279 HydrophobicContact CD1-CD1 3.87Å; L173-I279 HydrophobicContact CD2-CD1 4.15Å; L173-I279 HydrophobicContact CG-CD1 4.41Å; L275-I279 HydrophobicContact CD1-CD1 3.64Å; L275-I279 HydrophobicContact CD1-CG1 4.13Å; L275-I279 HydrophobicContact CG-CD1 3.76Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.24Å; L275-I279 PolarHBondContact O-N 2.72Å; I276-I279 PolarHBondContact O-N 2.86Å; I279-L320 HydrophobicContact CB-CD1 4.37Å; I279-L320 HydrophobicContact CD1-CD1 4.34Å; I279-L320 HydrophobicContact CG2-CB 4.19Å; I279-L320 HydrophobicContact CG2-CD1 3.97Å; I279-T323 PolarHBondContact O-N 3.05Å; I279-T323 PolarHBondContact O-OG1 3.24Å; I279-T323 VanDerWaalsContact O-OG1 3.05Å; I279-F326 HydrophobicContact CD1-CD1 4.19Å; I279-F326 HydrophobicContact CD1-CE1 3.95Å; I279-F326 HydrophobicContact CG1-CD1 4.01Å; I279-F326 HydrophobicContact CG1-CE1 4.29Å; I279-P328 HydrophobicContact CD1-CB 4.39Å; I279-P328 HydrophobicContact CG2-CG 4.45Å
280I85.8Confident79.5Confident13 Ų1350.1 Ų50.17%0.06729%0.285CS..Hα-helixtrans-98-25-172.2-53.1174.5000111.8M191 I276 L282 A300 L320 T323M191-I280 HydrophobicContact CE-CD1 3.39Å; I276-I280 HydrophobicContact CG2-CD1 3.61Å; I276-I280 HydrophobicContact CG2-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CG1 3.34Å; I276-I280 PolarHBondContact O-N 2.74Å; I280-L282 HydrophobicContact CB-CG 4.31Å; I280-L282 HydrophobicContact CG2-CD1 3.99Å; I280-L282 HydrophobicContact CG2-CG 3.69Å; I280-A300 HydrophobicContact CD1-CB 4.39Å; I280-A300 HydrophobicContact CG2-CB 3.22Å; I280-L320 HydrophobicContact CD1-CD1 3.95Å; I280-L320 HydrophobicContact CD1-CD2 3.47Å; I280-L320 VanDerWaalsContact CD1-CD2 3.47Å; I280-L320 HydrophobicContact CD1-CG 4.22Å; I280-L320 HydrophobicContact CG1-CD1 4.05Å; I280-L320 HydrophobicContact CG1-CD2 4.18Å; I280-L320 HydrophobicContact CG1-CG 4.49Å; I280-T323 WeakPolarHBondContact O-CG2 3.45Å; I280-T323 PolarHBondContact O-OG1 3.28Å
281G79.5Confident77.5Confident58 Ų5853.5 Ų53.560%0.59829%0.29SS*.THydrogen-bonded Turntrans78.923.4-174.300000113.7R277R277-G281 WeakPolarHBondContact O-CA 3.46Å; R277-G281 PolarHBondContact O-N 3.26Å
282L77.8Confident75.4Confident16 Ų1654.4 Ų54.48%0.08431%0.306CS..PPolyproline II helixtrans-87.5143.8-178.3-79-177.5000113.9M191 I193 R277 I280 N298 A300M191-L282 HydrophobicContact CE-CD1 4.27Å; I193-L282 HydrophobicContact CD1-CB 4.35Å; I193-L282 HydrophobicContact CD1-CD1 4.27Å; R277-L282 WeakPolarHBondContact CG-O 3.49Å; R277-L282 PolarHBondContact NE-O 3.24Å; R277-L282 PolarHBondContact O-N 2.85Å; I280-L282 HydrophobicContact CB-CG 4.31Å; I280-L282 HydrophobicContact CG2-CD1 3.99Å; I280-L282 HydrophobicContact CG2-CG 3.69Å; L282-N298 HydrophobicContact CD2-CB 4.14Å; L282-A300 HydrophobicContact CD1-CB 3.24Å; L282-A300 HydrophobicContact CD2-CB 4.05Å; L282-A300 HydrophobicContact CG-CB 3.75Å
283S75Confident73.2Confident53 Ų5360.6 Ų60.637%0.37134%0.335SS..PPolyproline II helixtrans-85.7148.1160.962.90000110.9N298S283-N298 PolarHBondContact OG-ND2 2.99Å
284P75.7Confident71.1Confident26 Ų2663.4 Ų63.417%0.16935%0.354CS..PPolyproline II helixtrans-59.9145.8171.8-19.832.9000111.1T195T195-P284 HydrophobicContact CG2-CB 3.87Å; T195-P284 HydrophobicContact CG2-CG 3.94Å
285F72.7Confident69.3Low18 Ų1868.6 Ų68.68%0.07937%0.372CS..BIsolated β-bridgetrans-75128.8170170.9-100.2000110V192 I193 V194 P287 P297V192-F285 HydrophobicContact CG1-CB 3.29Å; V192-F285 HydrophobicContact CG1-CD1 4.2Å; V192-F285 HydrophobicContact CG1-CD2 4.41Å; V192-F285 HydrophobicContact CG1-CG 3.74Å; I193-F285 WeakPolarHBondContact O-CB 3.29Å; I193-F285 PolarHBondContact O-N 3.44Å; V194-F285 HydrophobicContact CG2-CB 4.26Å; V194-F285 HydrophobicContact CG2-CD1 3.92Å; F285-P287 HydrophobicContact CE1-CB 4.43Å; F285-P287 HydrophobicContact CE1-CG 4.38Å; F285-P297 HydrophobicContact CD2-CB 3.6Å; F285-P297 HydrophobicContact CE2-CB 3.85Å
286V69.3Low67.6Low98 Ų9875 Ų7559%0.59441%0.405SS*.PPolyproline II helixtrans-102.3122.8173.2-178.10000107.3
287P63.9Low66.1Low23 Ų2375.1 Ų75.115%0.14941%0.406CS..PPolyproline II helixtrans-58133.8176.7-21.531.6000111F285 Q289F285-P287 HydrophobicContact CE1-CB 4.43Å; F285-P287 HydrophobicContact CE1-CG 4.38Å; P287-Q289 PolarHBondContact O-N 3.12Å
288P62.4Low65.3Low40 Ų4074.4 Ų74.426%0.2641%0.41SS..PPolyproline II helixtrans-66.5123.6-178.922.2-29.9000111.2A290P288-A290 VanDerWaalsContact C-N 3.34Å
289Q58.1Low65.1Low195 Ų19570.6 Ų70.691%0.91140%0.399SS*.SBendtrans-74.4-23.5178.3-64.2-174.21.900112.6P287P287-Q289 PolarHBondContact O-N 3.12Å
290A51.3Low65Low50 Ų5071 Ų7141%0.41340%0.403SS..SBendtrans-128147.2178.200000112P288 S292P288-A290 VanDerWaalsContact C-N 3.34Å; A290-S292 PolarHBondContact O-N 3.13Å
291F47.5Very low65.1Low153 Ų15374.8 Ų74.867%0.67142%0.423SS*.THydrogen-bonded Turntrans-65.2-18.4-179.3-81.1-69.3000114.2K227K227-F291 HydrophobicContact CD-CE1 3.65Å; K227-F291 HydrophobicContact CD-CE2 3.99Å; K227-F291 HydrophobicContact CD-CZ 3.35Å; K227-F291 HydrophobicContact CG-CZ 4.36Å; K227-F291 VanDerWaalsContact NZ-CE1 3.29Å; K227-F291 VanDerWaalsContact NZ-CG 3.31Å
292S46.7Very low65.6Low108 Ų10872 Ų7276%0.75539%0.394SS*.THydrogen-bonded Turntrans-91.9-7.5-169.443.50000114.8A290A290-S292 PolarHBondContact O-N 3.13Å
293Q45Very low66.1Low141 Ų14177 Ų7766%0.65942%0.415SS*.  trans-133.270.3179-70.1177-9.200109.7E295Q293-E295 PolarHBondContact O-N 2.91Å; Q293-E295 VanDerWaalsContact O-N 3.11Å
294C47.2Very low66.9Low65 Ų6577.3 Ų77.344%0.43941%0.41SS..  trans-77.182.5156.7-93.10000107.3
295E52.4Low67.6Low165 Ų16576.4 Ų76.477%0.77140%0.404SS*.PPolyproline II helixtrans-57.9142.5161-73.7-173.5167.600108.6Q293 P297Q293-E295 PolarHBondContact O-N 2.91Å; Q293-E295 VanDerWaalsContact O-N 3.11Å; E295-P297 WeakPolarHBondContact O-CD 3.35Å; E295-P297 VanDerWaalsContact O-N 3.13Å
296I54.9Low68.6Low136 Ų13680.3 Ų80.370%0.69742%0.421SS*.PPolyproline II helixtrans-56.6122-178.1-61.8169.7000107.4N298I296-N298 PolarHBondContact O-N 3.18Å
297P60.4Low69.8Low4 Ų478.1 Ų78.13%0.02641%0.409CS..PPolyproline II helixtrans-56.7133175.420.2-29.2000108.3V192 L235 Q238 F285 E295 T299V192-P297 HydrophobicContact CG2-CB 4.28Å; L235-P297 HydrophobicContact CD2-CG 4.35Å; Q238-P297 HydrophobicContact CG-CG 4.28Å; F285-P297 HydrophobicContact CD2-CB 3.6Å; F285-P297 HydrophobicContact CE2-CB 3.85Å; E295-P297 WeakPolarHBondContact O-CD 3.35Å; E295-P297 VanDerWaalsContact O-N 3.13Å; P297-T299 HydrophobicContact CB-CG2 4.15Å; P297-T299 HydrophobicContact CG-CG2 4.01Å; P297-T299 WeakPolarHBondContact O-CG2 3.22Å; P297-T299 PolarHBondContact O-N 2.82Å
298N70.8Confident71.2Confident87 Ų8778.4 Ų78.447%0.46541%0.409SS..  trans-65.192172.6-128.8-2.3000107.1L282 S283 I296L282-N298 HydrophobicContact CD2-CB 4.14Å; S283-N298 PolarHBondContact OG-ND2 2.99Å; I296-N298 PolarHBondContact O-N 3.18Å
299T82.9Confident72.7Confident34 Ų3481.2 Ų81.221%0.20942%0.421CS..  trans-95.9147.7-177.658.10000109.6R190 M191 V192 V240 P297R190-T299 WeakPolarHBondContact CD-OG1 3.42Å; M191-T299 WeakPolarHBondContact O-CA 3.26Å; V192-T299 HydrophobicContact CG2-CG2 3.76Å; V240-T299 HydrophobicContact CG2-CG2 3.68Å; P297-T299 HydrophobicContact CB-CG2 4.15Å; P297-T299 HydrophobicContact CG-CG2 4.01Å; P297-T299 WeakPolarHBondContact O-CG2 3.22Å; P297-T299 PolarHBondContact O-N 2.82Å
300A85.4Confident74.3Confident9 Ų972.4 Ų72.47%0.07438%0.38CS..EExtended strand (participates in β ladder)trans-122.4151.1170.300000112.6R190 M191 I280 L282R190-A300 CarbonylContact C-O 3.41Å; R190-A300 WeakPolarHBondContact CA-O 3.39Å; M191-A300 PolarHBondContact N-O 2.68Å; M191-A300 PolarHBondContact O-N 3.03Å; M191-A300 VanDerWaalsContact O-N 3.08Å; I280-A300 HydrophobicContact CD1-CB 4.39Å; I280-A300 HydrophobicContact CG2-CB 3.22Å; L282-A300 HydrophobicContact CD1-CB 3.24Å; L282-A300 HydrophobicContact CD2-CB 4.05Å; L282-A300 HydrophobicContact CG-CB 3.75Å
301L87.7Confident76.1Confident92 Ų9276.1 Ų76.148%0.48238%0.383SS..EExtended strand (participates in β ladder)trans-77.7133.8172.5-69.2168.7000110.6M189 R190 I321M189-L301 WeakPolarHBondContact O-CA 3.48Å; R190-L301 HydrophobicContact CG-CD2 4.02Å; L301-I321 HydrophobicContact CB-CD1 3.82Å
302V89.8Confident77.9Confident0 Ų074.3 Ų74.30%039%0.39CS..EExtended strand (participates in β ladder)trans-127.2130.3178.8175.80000107.2D188 M189 M191 F304 L318 G319 L320D188-V302 WeakPolarHBondContact CA-O 3.08Å; M189-V302 HydrophobicContact CG-CB 3.82Å; M189-V302 HydrophobicContact CG-CG1 4.19Å; M189-V302 PolarHBondContact N-O 3.07Å; M189-V302 PolarHBondContact O-N 3.22Å; M191-V302 HydrophobicContact CB-CG2 3.51Å; M191-V302 HydrophobicContact CE-CG2 4.34Å; M191-V302 HydrophobicContact CG-CG2 4.28Å; M191-V302 HydrophobicContact SD-CG2 3.84Å; V302-F304 VanDerWaalsContact CG1-O 3.3Å; V302-F304 WeakPolarHBondContact CG1-O 3.47Å; V302-L318 HydrophobicContact CG1-CD1 3.5Å; V302-L318 VanDerWaalsContact CG1-CD1 3.5Å; V302-L318 HydrophobicContact CG1-CG 4.39Å; V302-L318 HydrophobicContact CG2-CD1 4.47Å; V302-G319 CarbonylContact C-O 3.51Å; V302-G319 VanDerWaalsContact CG1-O 3.3Å; V302-G319 WeakPolarHBondContact CG1-O 3.41Å; V302-L320 HydrophobicContact CG1-CD2 4.43Å; V302-L320 HydrophobicContact CG2-CD2 3.94Å
303K89.4Confident80Confident120 Ų12075.6 Ų75.652%0.52238%0.381SS..EExtended strand (participates in β ladder)trans-68.5-40-177.4-65.7-171.6175.2-176.90112.9G319 I321K303-G319 PolarHBondContact N-O 3.33Å; K303-I321 HydrophobicContact CD-CG1 4.38Å; K303-I321 HydrophobicContact CG-CD1 4.17Å; K303-I321 HydrophobicContact CG-CG1 3.65Å
304F90.7Very high82.3Confident60 Ų6075.9 Ų75.926%0.26338%0.377SS..EExtended strand (participates in β ladder)trans-159.515417863-98.4000110.6V302 K306 H317 G319V302-F304 VanDerWaalsContact CG1-O 3.3Å; V302-F304 WeakPolarHBondContact CG1-O 3.47Å; F304-K306 HydrophobicContact CD2-CG 4.34Å; F304-H317 AromaticContact CE2-CD2 3.71Å; F304-H317 AromaticContact CE2-CE1 3.27Å; F304-H317 WeakPolarHBondContact CE2-CE1 3.23Å; F304-H317 AromaticContact CE2-CG 3.74Å; F304-H317 AromaticContact CE2-ND1 3.49Å; F304-H317 WeakPolarHBondContact CE2-ND1 3.24Å; F304-H317 AromaticContact CE2-NE2 3.4Å; F304-H317 WeakPolarHBondContact CE2-NE2 3.14Å; F304-H317 AromaticContact CZ-CE1 3.51Å; F304-H317 AromaticContact CZ-NE2 3.52Å; F304-G319 VanDerWaalsContact CE2-N 3.32Å; F304-G319 VanDerWaalsContact CZ-CA 3.42Å; F304-G319 PolarHBondContact O-N 3.03Å
305C91.7Very high84.6Confident7 Ų773.6 Ų73.65%0.04736%0.359CS..EExtended strand (participates in β ladder)trans-144.7116.3170.4-168.30000108.4F179 M189 L242 H317 L318F179-C305 WeakPolarHBondContact CZ-SG 3.26Å; M189-C305 HydrophobicContact CE-CB 3.76Å; M189-C305 HydrophobicContact SD-CB 3.51Å; M189-C305 VanDerWaalsContact SD-CB 3.51Å; L242-C305 HydrophobicContact CD1-CB 4.47Å; L242-C305 HydrophobicContact CD2-CB 3.89Å; L242-C305 VanDerWaalsContact CD2-SG 3.57Å; C305-H317 WeakPolarHBondContact CA-O 3.49Å; C305-L318 HydrophobicContact CB-CD1 4.16Å
306K92.9Very high86.6Confident100 Ų10065.8 Ų65.844%0.43532%0.322SS..EExtended strand (participates in β ladder)trans-147.5154.7-172.963.9-176.4178.4-177.30112.1F304 H317F304-K306 HydrophobicContact CD2-CG 4.34Å; K306-H317 WeakPolarHBondContact CE-ND1 3.43Å; K306-H317 HydrophobicContact CG-CB 4.19Å; K306-H317 PolarHBondContact N-O 2.96Å; K306-H317 WeakPolarHBondContact O-CB 3.24Å; K306-H317 PolarHBondContact O-N 2.91Å
307P93.8Very high88.5Confident52 Ų5259.9 Ų59.934%0.33829%0.292SS..EExtended strand (participates in β ladder)trans-67.8137.1171.627.6-34.3000109.8F179 Y182F179-P307 HydrophobicContact CD2-CB 4.37Å; F179-P307 HydrophobicContact CE2-CB 4.27Å; Y182-P307 HydrophobicContact CD1-CG 4.37Å; Y182-P307 HydrophobicContact CE1-CG 3.99Å; Y182-P307 VanDerWaalsContact CE2-CD 3.48Å; Y182-P307 WeakPolarHBondContact OH-CD 3.27Å
308L94.3Very high90Very high29 Ų2959.7 Ų59.715%0.15229%0.291CS..EExtended strand (participates in β ladder)trans-120.7125.7173.4175.968.6000108.7I170 V174 L310 Y315 H317I170-L308 HydrophobicContact CD1-CD2 3.86Å; V174-L308 HydrophobicContact CG1-CD2 4.01Å; V174-L308 HydrophobicContact CG2-CD2 3.83Å; L308-L310 HydrophobicContact CD1-CD2 4.4Å; L308-L310 HydrophobicContact CD2-CD1 4.31Å; L308-L310 HydrophobicContact CD2-CD2 4.22Å; L308-L310 HydrophobicContact CD2-CG 4.22Å; L308-L310 HydrophobicContact CG-CD2 4.2Å; L308-L310 HydrophobicContact CG-CG 4.19Å; L308-Y315 PolarHBondContact N-O 2.66Å; L308-Y315 PolarHBondContact O-N 3.23Å; L308-H317 HydrophobicContact CB-CB 3.74Å; L308-H317 HydrophobicContact CD2-CB 4.34Å
309I93.7Very high91Very high98 Ų9855.7 Ų55.750%0.50327%0.27SS..EExtended strand (participates in β ladder)trans-103.2116.5178.4-51.7-174.9000108R311 R314I309-R311 VanDerWaalsContact CG2-O 3.24Å; I309-R311 WeakPolarHBondContact CG2-O 3.23Å; I309-R314 HydrophobicContact CG1-CG 4.24Å
310L91.8Very high91.3Very high10 Ų1054.5 Ų54.55%0.05226%0.262CS..EExtended strand (participates in β ladder)trans-110.3102.1170.1-57.8175000107.1V157 V159 L308 S312 K313 Y315 V332V157-L310 HydrophobicContact CG1-CD1 3.96Å; V159-L310 HydrophobicContact CG2-CB 3.9Å; V159-L310 HydrophobicContact CG2-CD1 3.91Å; V159-L310 HydrophobicContact CG2-CG 4.44Å; L308-L310 HydrophobicContact CD1-CD2 4.4Å; L308-L310 HydrophobicContact CD2-CD1 4.31Å; L308-L310 HydrophobicContact CD2-CD2 4.22Å; L308-L310 HydrophobicContact CD2-CG 4.22Å; L308-L310 HydrophobicContact CG-CD2 4.2Å; L308-L310 HydrophobicContact CG-CG 4.19Å; L310-S312 PolarHBondContact O-N 3.08Å; L310-S312 VanDerWaalsContact O-N 3.15Å; L310-K313 PolarHBondContact N-O 3.06Å; L310-K313 PolarHBondContact O-N 3Å; L310-Y315 HydrophobicContact CB-CD2 4.11Å; L310-Y315 HydrophobicContact CB-CE2 3.77Å; L310-Y315 HydrophobicContact CD1-CD2 4.05Å; L310-Y315 HydrophobicContact CD1-CE2 4Å; L310-Y315 HydrophobicContact CG-CD2 4.06Å; L310-Y315 HydrophobicContact CG-CE2 4.13Å; L310-V332 HydrophobicContact CD1-CG1 4.04Å; L310-V332 HydrophobicContact CD1-CG2 4Å; L310-V332 HydrophobicContact CD2-CG1 4.49Å
311R88.9Confident91.3Very high129 Ų12957 Ų5749%0.48727%0.274SS..THydrogen-bonded Turntrans56.9-107.2-168.9-63.9-163.7137.3-171.47.4113.3V159 T160 G161 L162 I309V159-R311 HydrophobicContact CG1-CB 4.5Å; V159-R311 HydrophobicContact CG1-CG 3.84Å; T160-R311 VanDerWaalsContact O-CD 3.28Å; T160-R311 WeakPolarHBondContact O-CD 3.43Å; T160-R311 PolarHBondContact O-NH1 3.22Å; G161-R311 PolarHBondContact O-NH1 3.33Å; G161-R311 VanDerWaalsContact O-NH1 3.09Å; G161-R311 PolarHBondContact O-NH2 2.91Å; L162-R311 HydrophobicContact CD1-CG 4Å; L162-R311 HydrophobicContact CD2-CG 4.38Å; L162-R311 HydrophobicContact CG-CG 4.11Å; I309-R311 VanDerWaalsContact CG2-O 3.24Å; I309-R311 WeakPolarHBondContact CG2-O 3.23Å
312S85.1Confident91Very high115 Ų11554.3 Ų54.380%0.80426%0.262SS*.THydrogen-bonded Turntrans-104.2-6.3-176.653.90000113L310L310-S312 PolarHBondContact O-N 3.08Å; L310-S312 VanDerWaalsContact O-N 3.15Å
313K91.1Very high90.5Very high134 Ų13459.1 Ų59.158%0.58329%0.292SS*.EExtended strand (participates in β ladder)trans-101.4138.6179.4-71.6-173.8178.7-176.20110.6L310 Y315L310-K313 PolarHBondContact N-O 3.06Å; L310-K313 PolarHBondContact O-N 3Å; K313-Y315 HydrophobicContact CB-CD2 4.35Å; K313-Y315 HydrophobicContact CB-CE2 3.45Å; K313-Y315 VanDerWaalsContact CB-CE2 3.45Å; K313-Y315 WeakPolarHBondContact O-CD2 3.28Å
314R92.8Very high89.8Confident148 Ų14855.7 Ų55.756%0.55828%0.282SS*.EExtended strand (participates in β ladder)trans-99.9138.7175.3-64.1-174.8173.4179.10.5109.5D178 I309D178-R314 HydrophobicContact CB-CB 4.12Å; D178-R314 WeakPolarHBondContact OD2-CB 2.91Å; D178-R314 WeakPolarHBondContact OD2-CD 3.33Å; I309-R314 HydrophobicContact CG1-CG 4.24Å
315Y94.9Very high89.4Confident16 Ų1655 Ų556%0.06329%0.288CS..EExtended strand (participates in β ladder)trans-131.6152.2-177.1-62.6-96.5000108.9V157 V174 L175 K177 L308 L310 K313V157-Y315 HydrophobicContact CG1-CD1 4.41Å; V157-Y315 HydrophobicContact CG1-CE1 3.69Å; V174-Y315 HydrophobicContact CG1-CD1 3.81Å; V174-Y315 HydrophobicContact CG1-CG 3.85Å; L175-Y315 WeakPolarHBondContact O-CB 3.48Å; L175-Y315 WeakPolarHBondContact O-CD1 3.34Å; K177-Y315 CarbonylContact O-C 3.57Å; K177-Y315 WeakPolarHBondContact O-CA 3.22Å; L308-Y315 PolarHBondContact N-O 2.66Å; L308-Y315 PolarHBondContact O-N 3.23Å; L310-Y315 HydrophobicContact CB-CD2 4.11Å; L310-Y315 HydrophobicContact CB-CE2 3.77Å; L310-Y315 HydrophobicContact CD1-CD2 4.05Å; L310-Y315 HydrophobicContact CD1-CE2 4Å; L310-Y315 HydrophobicContact CG-CD2 4.06Å; L310-Y315 HydrophobicContact CG-CE2 4.13Å; K313-Y315 HydrophobicContact CB-CD2 4.35Å; K313-Y315 HydrophobicContact CB-CE2 3.45Å; K313-Y315 VanDerWaalsContact CB-CE2 3.45Å; K313-Y315 WeakPolarHBondContact O-CD2 3.28Å
316V94.8Very high89.1Confident1 Ų154.7 Ų54.71%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-86.9121.9168.6172.10000108.3L175 K177 F179 A265L175-V316 HydrophobicContact CB-CB 4.16Å; L175-V316 HydrophobicContact CD1-CB 4.21Å; L175-V316 HydrophobicContact CD1-CG1 3.96Å; L175-V316 HydrophobicContact CG-CB 4.47Å; L175-V316 PolarHBondContact N-O 3.33Å; L175-V316 PolarHBondContact O-N 3.26Å; K177-V316 VanDerWaalsContact O-CG2 3.31Å; K177-V316 WeakPolarHBondContact O-CG2 3.21Å; K177-V316 PolarHBondContact O-N 3.11Å; F179-V316 HydrophobicContact CD1-CG2 4.14Å; F179-V316 HydrophobicContact CD2-CG2 3.72Å; F179-V316 HydrophobicContact CE1-CG1 4.08Å; F179-V316 HydrophobicContact CE1-CG2 4.07Å; F179-V316 HydrophobicContact CE2-CB 4.16Å; F179-V316 HydrophobicContact CE2-CG1 4.09Å; F179-V316 HydrophobicContact CE2-CG2 3.63Å; F179-V316 HydrophobicContact CG-CG2 3.98Å; F179-V316 HydrophobicContact CZ-CB 4.19Å; F179-V316 HydrophobicContact CZ-CG1 3.63Å; F179-V316 HydrophobicContact CZ-CG2 3.83Å; A265-V316 HydrophobicContact CB-CG2 4.01Å
317H94.8Very high88.9Confident13 Ų1353.4 Ų53.46%0.0628%0.283CS..EExtended strand (participates in β ladder)trans-104.3115.3177.8180-151.3000110.6I170 A171 F304 C305 K306 L308I170-H317 VanDerWaalsContact CG2-NE2 3.3Å; I170-H317 WeakPolarHBondContact CG2-NE2 3.32Å; A171-H317 PolarHBondContact O-CE1 3.47Å; A171-H317 PolarHBondContact O-NE2 3.25Å; F304-H317 AromaticContact CE2-CD2 3.71Å; F304-H317 AromaticContact CE2-CE1 3.27Å; F304-H317 WeakPolarHBondContact CE2-CE1 3.23Å; F304-H317 AromaticContact CE2-CG 3.74Å; F304-H317 AromaticContact CE2-ND1 3.49Å; F304-H317 WeakPolarHBondContact CE2-ND1 3.24Å; F304-H317 AromaticContact CE2-NE2 3.4Å; F304-H317 WeakPolarHBondContact CE2-NE2 3.14Å; F304-H317 AromaticContact CZ-CE1 3.51Å; F304-H317 AromaticContact CZ-NE2 3.52Å; C305-H317 WeakPolarHBondContact CA-O 3.49Å; K306-H317 WeakPolarHBondContact CE-ND1 3.43Å; K306-H317 HydrophobicContact CG-CB 4.19Å; K306-H317 PolarHBondContact N-O 2.96Å; K306-H317 WeakPolarHBondContact O-CB 3.24Å; K306-H317 PolarHBondContact O-N 2.91Å; L308-H317 HydrophobicContact CB-CB 3.74Å; L308-H317 HydrophobicContact CD2-CB 4.34Å
318L92.9Very high88.8Confident0 Ų051.3 Ų51.30%027%0.269CS..EExtended strand (participates in β ladder)trans-117.6114.3-168-173.266.6000111.7G172 L173 L175 M191 L242 I244 I276 V302 C305 L320G172-L318 CarbonylContact C-O 3.51Å; G172-L318 WeakPolarHBondContact CA-O 3.44Å; L173-L318 HydrophobicContact CB-CB 4.46Å; L173-L318 PolarHBondContact N-O 2.91Å; L173-L318 PolarHBondContact O-N 2.84Å; L175-L318 HydrophobicContact CD1-CD2 4.45Å; M191-L318 HydrophobicContact SD-CD1 4.4Å; M191-L318 HydrophobicContact SD-CD2 4.36Å; L242-L318 HydrophobicContact CD2-CD1 3.52Å; I244-L318 HydrophobicContact CD1-CD2 3.82Å; I276-L318 HydrophobicContact CD1-CD2 4.31Å; V302-L318 HydrophobicContact CG1-CD1 3.5Å; V302-L318 VanDerWaalsContact CG1-CD1 3.5Å; V302-L318 HydrophobicContact CG1-CG 4.39Å; V302-L318 HydrophobicContact CG2-CD1 4.47Å; C305-L318 HydrophobicContact CB-CD1 4.16Å; L318-L320 HydrophobicContact CD1-CD2 4.17Å; L318-L320 HydrophobicContact CD2-CD1 4.16Å; L318-L320 HydrophobicContact CD2-CD2 3.57Å; L318-L320 HydrophobicContact CD2-CG 3.92Å; L318-L320 HydrophobicContact CG-CD2 3.6Å; L318-L320 HydrophobicContact CG-CG 3.91Å; L318-L320 PolarHBondContact O-N 3.47Å
319G91.7Very high88.8Confident3 Ų351.1 Ų51.13%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-90.197.5175.200000111.6V302 K303 F304V302-G319 CarbonylContact C-O 3.51Å; V302-G319 VanDerWaalsContact CG1-O 3.3Å; V302-G319 WeakPolarHBondContact CG1-O 3.41Å; K303-G319 PolarHBondContact N-O 3.33Å; F304-G319 VanDerWaalsContact CE2-N 3.32Å; F304-G319 VanDerWaalsContact CZ-CA 3.42Å; F304-G319 PolarHBondContact O-N 3.03Å
320L88.7Confident88.8Confident8 Ų846.5 Ų46.54%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-88.7145.5-178.2-63.6-179.1000113.1L173 I276 I279 I280 V302 L318 P328L173-L320 HydrophobicContact CD1-CD1 3.52Å; L173-L320 HydrophobicContact CD1-CG 4.5Å; L173-L320 HydrophobicContact CG-CD1 4.15Å; I276-L320 HydrophobicContact CG1-CD1 4.48Å; I276-L320 HydrophobicContact CG2-CD1 4.31Å; I279-L320 HydrophobicContact CB-CD1 4.37Å; I279-L320 HydrophobicContact CD1-CD1 4.34Å; I279-L320 HydrophobicContact CG2-CB 4.19Å; I279-L320 HydrophobicContact CG2-CD1 3.97Å; I280-L320 HydrophobicContact CD1-CD1 3.95Å; I280-L320 HydrophobicContact CD1-CD2 3.47Å; I280-L320 VanDerWaalsContact CD1-CD2 3.47Å; I280-L320 HydrophobicContact CD1-CG 4.22Å; I280-L320 HydrophobicContact CG1-CD1 4.05Å; I280-L320 HydrophobicContact CG1-CD2 4.18Å; I280-L320 HydrophobicContact CG1-CG 4.49Å; V302-L320 HydrophobicContact CG1-CD2 4.43Å; V302-L320 HydrophobicContact CG2-CD2 3.94Å; L318-L320 HydrophobicContact CD1-CD2 4.17Å; L318-L320 HydrophobicContact CD2-CD1 4.16Å; L318-L320 HydrophobicContact CD2-CD2 3.57Å; L318-L320 HydrophobicContact CD2-CG 3.92Å; L318-L320 HydrophobicContact CG-CD2 3.6Å; L318-L320 HydrophobicContact CG-CG 3.91Å; L318-L320 PolarHBondContact O-N 3.47Å; L320-P328 HydrophobicContact CB-CG 4.02Å
321I85Confident89Confident63 Ų6346 Ų4632%0.32324%0.241SC..  trans-89.1109.8164.3-55-178.8000106.7L301 K303L301-I321 HydrophobicContact CB-CD1 3.82Å; K303-I321 HydrophobicContact CD-CG1 4.38Å; K303-I321 HydrophobicContact CG-CD1 4.17Å; K303-I321 HydrophobicContact CG-CG1 3.65Å
322S81.7Confident89.4Confident34 Ų3439.9 Ų39.924%0.23822%0.218CC..  trans-75.3134.9-178.5-168.50000111.3C324 F326S322-C324 PolarHBondContact OG-N 3.11Å; S322-C324 PolarHBondContact OG-O 3.1Å; S322-C324 VanDerWaalsContact OG-O 3.05Å; S322-C324 PolarHBondContact OG-SG 2.75Å; S322-F326 WeakPolarHBondContact CB-O 3.47Å; S322-F326 PolarHBondContact OG-O 3.43Å
323T79.3Confident90Very high101 Ų10134.5 Ų34.562%0.6218%0.181SC*.SBendtrans-94.4-5.1168.857.20000112.1I279 I280I279-T323 PolarHBondContact O-N 3.05Å; I279-T323 PolarHBondContact O-OG1 3.24Å; I279-T323 VanDerWaalsContact O-OG1 3.05Å; I280-T323 WeakPolarHBondContact O-CG2 3.45Å; I280-T323 PolarHBondContact O-OG1 3.28Å
324C76.1Confident90.2Very high48 Ų4828.2 Ų28.232%0.32415%0.153SC..SBendtrans-110.6171.2177.166.30000112.1S322 F326S322-C324 PolarHBondContact OG-N 3.11Å; S322-C324 PolarHBondContact OG-O 3.1Å; S322-C324 VanDerWaalsContact OG-O 3.05Å; S322-C324 PolarHBondContact OG-SG 2.75Å; C324-F326 PolarHBondContact O-N 3.38Å; C324-F326 VanDerWaalsContact O-N 3.1Å
325A80.7Confident90.3Very high46 Ų4621.1 Ų21.138%0.3813%0.127SC..SBendtrans-66.6-9.4-179.600000114.3T137 V144T137-A325 PolarHBondContact OG1-O 3.39Å; V144-A325 HydrophobicContact CG2-CB 3.98Å
326F86.2Confident90.3Very high0 Ų024 Ų240%015%0.147CC..BIsolated β-bridgetrans-80.6132.7174.3178.7-112.8000110.8C135 V144 L147 V148 L155 I279 S322 C324 P328C135-F326 HydrophobicContact CB-CD2 4.13Å; C135-F326 HydrophobicContact CB-CE2 3.68Å; V144-F326 HydrophobicContact CG1-CB 3.69Å; V144-F326 HydrophobicContact CG1-CD2 3.7Å; V144-F326 HydrophobicContact CG1-CG 4.12Å; V144-F326 HydrophobicContact CG2-CB 4.47Å; L147-F326 HydrophobicContact CD2-CD1 3.92Å; L147-F326 HydrophobicContact CD2-CD2 4.32Å; L147-F326 HydrophobicContact CD2-CE1 4.08Å; L147-F326 HydrophobicContact CD2-CE2 4.48Å; L147-F326 HydrophobicContact CD2-CG 4.03Å; L147-F326 HydrophobicContact CD2-CZ 4.36Å; V148-F326 HydrophobicContact CG2-CD2 3.7Å; V148-F326 HydrophobicContact CG2-CE2 3.39Å; V148-F326 HydrophobicContact CG2-CZ 4.25Å; L155-F326 HydrophobicContact CD1-CZ 4.01Å; L155-F326 HydrophobicContact CD2-CE1 4.24Å; L155-F326 HydrophobicContact CD2-CZ 3.87Å; I279-F326 HydrophobicContact CD1-CD1 4.19Å; I279-F326 HydrophobicContact CD1-CE1 3.95Å; I279-F326 HydrophobicContact CG1-CD1 4.01Å; I279-F326 HydrophobicContact CG1-CE1 4.29Å; S322-F326 WeakPolarHBondContact CB-O 3.47Å; S322-F326 PolarHBondContact OG-O 3.43Å; C324-F326 PolarHBondContact O-N 3.38Å; C324-F326 VanDerWaalsContact O-N 3.1Å; F326-P328 HydrophobicContact CE1-CB 4.15Å
327I89.4Confident90.3Very high73 Ų7328.2 Ų28.237%0.37417%0.173SC..  trans-103.4115173.6-53.1174000108.4K134 C135 T137 H329K134-I327 WeakPolarHBondContact O-CB 3.44Å; C135-I327 WeakPolarHBondContact CA-O 3.17Å; C135-I327 PolarHBondContact O-N 3.27Å; T137-I327 HydrophobicContact CG2-CD1 3.98Å; T137-I327 HydrophobicContact CG2-CG1 4.39Å; I327-H329 VanDerWaalsContact CG2-CE1 3.47Å; I327-H329 WeakPolarHBondContact CG2-CE1 3.44Å; I327-H329 PolarHBondContact O-N 3.21Å; I327-H329 VanDerWaalsContact O-N 3.14Å; I327-H329 PolarHBondContact O-ND1 3.04Å
328P90.3Very high90.3Very high8 Ų832.9 Ų32.95%0.05219%0.194CC..  trans-64.9117.6-171.525.1-33.9000111.5G172 L173 I279 L320 F326G172-P328 WeakPolarHBondContact CA-O 3.45Å; G172-P328 PolarHBondContact N-O 2.9Å; L173-P328 HydrophobicContact CD2-CB 4.08Å; L173-P328 HydrophobicContact CG-CB 4.28Å; I279-P328 HydrophobicContact CD1-CB 4.39Å; I279-P328 HydrophobicContact CG2-CG 4.45Å; L320-P328 HydrophobicContact CB-CG 4.02Å; F326-P328 HydrophobicContact CE1-CB 4.15Å
329H94.1Very high90.4Very high26 Ų2634.8 Ų34.812%0.1221%0.214CC..EExtended strand (participates in β ladder)trans-138.9147.5166.9-63.374.8000108.6Y131 K134 I169 I170 A171 G172 I327Y131-H329 HydrophobicContact CE2-CB 4.23Å; Y131-H329 WeakPolarHBondContact CE2-O 3.4Å; K134-H329 PolarHBondContact O-CE1 3.4Å; K134-H329 VanDerWaalsContact O-CE1 3.28Å; K134-H329 PolarHBondContact O-ND1 2.97Å; I169-H329 HydrophobicContact CG2-CB 3.8Å; I170-H329 CarbonylContact O-C 3.44Å; I170-H329 VanDerWaalsContact O-CA 3.26Å; I170-H329 WeakPolarHBondContact O-CA 3.23Å; I170-H329 WeakPolarHBondContact O-CB 3.18Å; A171-H329 WeakPolarHBondContact CA-CD2 3.42Å; G172-H329 CarbonylContact O-C 3.55Å; G172-H329 WeakPolarHBondContact O-CA 3.45Å; I327-H329 VanDerWaalsContact CG2-CE1 3.47Å; I327-H329 WeakPolarHBondContact CG2-CE1 3.44Å; I327-H329 PolarHBondContact O-N 3.21Å; I327-H329 VanDerWaalsContact O-N 3.14Å; I327-H329 PolarHBondContact O-ND1 3.04Å
330S95.2Very high90.5Very high0 Ų036.3 Ų36.30%022%0.221CC..EExtended strand (participates in β ladder)trans-108.2143.8170.9-67.70000110.8L155 I170 G172 L173 V174L155-S330 CarbonylContact O-C 3.51Å; L155-S330 WeakPolarHBondContact O-CA 3.41Å; L155-S330 WeakPolarHBondContact O-CB 3.48Å; I170-S330 PolarHBondContact N-O 2.8Å; I170-S330 PolarHBondContact O-N 3.31Å; G172-S330 PolarHBondContact O-N 2.97Å; G172-S330 PolarHBondContact O-OG 2.84Å; L173-S330 WeakPolarHBondContact CA-OG 3.43Å; V174-S330 PolarHBondContact N-OG 3.47Å
331I96.4Very high90.8Very high0 Ų036 Ų360%022%0.22CC..EExtended strand (participates in β ladder)trans-90.6128.5170.2-51.2-178.5000108.2L127 Y131 F152 L155 N156 V157 L333L127-I331 HydrophobicContact CD2-CG2 4.21Å; Y131-I331 HydrophobicContact CD1-CD1 3.6Å; Y131-I331 HydrophobicContact CD1-CG1 4.16Å; Y131-I331 HydrophobicContact CD2-CD1 3.64Å; Y131-I331 HydrophobicContact CD2-CG1 3.24Å; Y131-I331 HydrophobicContact CE1-CD1 3.87Å; Y131-I331 HydrophobicContact CE1-CG1 4.27Å; Y131-I331 HydrophobicContact CE2-CD1 3.91Å; Y131-I331 HydrophobicContact CE2-CG1 3.36Å; Y131-I331 HydrophobicContact CG-CD1 3.45Å; Y131-I331 VanDerWaalsContact CG-CD1 3.45Å; Y131-I331 HydrophobicContact CG-CG1 3.64Å; F152-I331 HydrophobicContact CE2-CD1 4.22Å; L155-I331 PolarHBondContact O-N 2.89Å; N156-I331 CarbonylContact C-O 3.55Å; N156-I331 WeakPolarHBondContact CA-O 3.31Å; N156-I331 PolarHBondContact OD1-O 3.13Å; V157-I331 PolarHBondContact N-O 3.27Å; I331-L333 HydrophobicContact CG2-CD2 3.62Å; I331-L333 HydrophobicContact CG2-CG 3.86Å
332V96.9Very high91.3Very high1 Ų137.2 Ų37.21%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-100.9115.2166.7179.60000107.9V157 V159 S167 R168 I170 L310V157-V332 CarbonylContact O-C 3.59Å; V157-V332 WeakPolarHBondContact O-CA 3.39Å; V159-V332 HydrophobicContact CG2-CG1 3.62Å; S167-V332 CarbonylContact C-O 3.57Å; S167-V332 WeakPolarHBondContact CA-O 3.08Å; S167-V332 VanDerWaalsContact CB-O 3.31Å; S167-V332 WeakPolarHBondContact CB-O 3.34Å; R168-V332 HydrophobicContact CG-CB 4.42Å; R168-V332 PolarHBondContact N-O 3.36Å; R168-V332 PolarHBondContact O-N 3.28Å; I170-V332 HydrophobicContact CD1-CG2 3.45Å; I170-V332 VanDerWaalsContact CD1-CG2 3.45Å; I170-V332 HydrophobicContact CG1-CG2 3.99Å; L310-V332 HydrophobicContact CD1-CG1 4.04Å; L310-V332 HydrophobicContact CD1-CG2 4Å; L310-V332 HydrophobicContact CD2-CG1 4.49Å
333L96.7Very high91.9Very high2 Ų239.7 Ų39.71%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-101.4117.6178.3-65.8176.5000110.4L127 N156 V157 G158 V159 I331 I341 H344 E345 L348L127-L333 HydrophobicContact CD2-CD2 3.94Å; N156-L333 WeakPolarHBondContact OD1-CD1 3.27Å; N156-L333 VanDerWaalsContact OD1-CG 3.27Å; N156-L333 WeakPolarHBondContact OD1-CG 3.46Å; V157-L333 PolarHBondContact O-N 3.13Å; G158-L333 CarbonylContact C-O 3.56Å; G158-L333 WeakPolarHBondContact CA-O 3.25Å; V159-L333 PolarHBondContact N-O 3.45Å; I331-L333 HydrophobicContact CG2-CD2 3.62Å; I331-L333 HydrophobicContact CG2-CG 3.86Å; L333-I341 HydrophobicContact CB-CG2 4.26Å; L333-H344 HydrophobicContact CD1-CB 4.4Å; L333-E345 HydrophobicContact CD1-CB 4.44Å; L333-E345 HydrophobicContact CD1-CG 3.51Å; L333-L348 HydrophobicContact CD1-CD1 3.4Å; L333-L348 HydrophobicContact CD2-CD1 3.61Å; L333-L348 HydrophobicContact CG-CD1 4.09Å
334C96.3Very high92.7Very high1 Ų135 Ų351%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-99.1141.5179.7-67.60000109.7V159 L162 P163 V164 D166 S167V159-C334 WeakPolarHBondContact O-CA 3.34Å; L162-C334 HydrophobicContact CB-CB 3.72Å; L162-C334 HydrophobicContact CD1-CB 4.43Å; L162-C334 VanDerWaalsContact CD1-SG 3.58Å; P163-C334 VanDerWaalsContact O-CB 3.23Å; P163-C334 WeakPolarHBondContact O-CB 3.25Å; V164-C334 WeakPolarHBondContact CA-O 3.14Å; D166-C334 HydrophobicContact CB-CB 4.06Å; D166-C334 PolarHBondContact O-SG 2.99Å; S167-C334 PolarHBondContact OG-N 3.13Å
335G95Very high93.6Very high0 Ų034.9 Ų34.90%020%0.197CC..EExtended strand (participates in β ladder)trans-161.7150.617300000112.3V159 T160 G161 L162 V337V159-G335 PolarHBondContact O-N 3.32Å; V159-G335 VanDerWaalsContact O-N 3.14Å; T160-G335 CarbonylContact C-O 3.44Å; T160-G335 WeakPolarHBondContact CA-O 3.35Å; G161-G335 PolarHBondContact N-O 3.12Å; L162-G335 CarbonylContact O-C 3.37Å; L162-G335 WeakPolarHBondContact O-CA 3.42Å; L162-G335 PolarHBondContact O-N 3.25Å; G335-V337 PolarHBondContact O-N 3.25Å
336P94Very high94.2Very high77 Ų7738.3 Ų38.350%0.521%0.209SC..SBendtrans-63.2-30.4-176.625-34.1000112.4G161 L162 L340G161-P336 WeakPolarHBondContact CA-O 3.38Å; G161-P336 PolarHBondContact N-O 2.99Å; L162-P336 VanDerWaalsContact O-N 3.11Å; P336-L340 HydrophobicContact CG-CD2 4.12Å
337V94.7Very high94.7Very high89 Ų8938.5 Ų38.554%0.53921%0.211SC..SBendtrans-135.5153.3-179.2-630000110.5G335 G339 L340G335-V337 PolarHBondContact O-N 3.25Å; V337-G339 PolarHBondContact O-N 3.43Å; V337-L340 HydrophobicContact CG2-CB 4.02Å; V337-L340 PolarHBondContact O-N 3.41Å
338H94.3Very high95Very high110 Ų11035 Ų3551%0.50919%0.193SC..Hα-helixtrans-58.8-44.7-177.2-173.140.9000113T160 L340 I341 E342T160-H338 HydrophobicContact CG2-CB 4Å; H338-L340 PolarHBondContact O-N 2.9Å; H338-L340 VanDerWaalsContact O-N 3.16Å; H338-I341 WeakPolarHBondContact O-CA 3.37Å; H338-I341 WeakPolarHBondContact O-CB 3.49Å; H338-I341 PolarHBondContact O-N 3.4Å; H338-E342 IonicContact CD2-OE1 3.4Å; H338-E342 PolarHBondContact CD2-OE1 3.5Å; H338-E342 IonicContact CE1-OE1 3.93Å; H338-E342 IonicContact NE2-OE1 2.72Å; H338-E342 PolarHBondContact NE2-OE1 2.97Å; H338-E342 VanDerWaalsContact NE2-OE1 3.1Å; H338-E342 PolarHBondContact O-N 3.35Å
339G95Very high95.1Very high40 Ų4036.7 Ų36.741%0.41220%0.2SC..Hα-helixtrans-62.2-26.1-179.100000114.7V337 Q343V337-G339 PolarHBondContact O-N 3.43Å; G339-Q343 WeakPolarHBondContact O-CB 3.45Å; G339-Q343 PolarHBondContact O-N 2.92Å; G339-Q343 VanDerWaalsContact O-N 3.08Å
340L94.3Very high95.1Very high36 Ų3635.8 Ų35.819%0.18820%0.198CC..Hα-helixtrans-72.6-35.9173.4-17268.5000111.3V164 P336 V337 H338 Q343 H344V164-L340 HydrophobicContact CG2-CD2 3.61Å; P336-L340 HydrophobicContact CG-CD2 4.12Å; V337-L340 HydrophobicContact CG2-CB 4.02Å; V337-L340 PolarHBondContact O-N 3.41Å; H338-L340 PolarHBondContact O-N 2.9Å; H338-L340 VanDerWaalsContact O-N 3.16Å; L340-Q343 PolarHBondContact O-N 2.89Å; L340-H344 VanDerWaalsContact O-CG 3.3Å; L340-H344 PolarHBondContact O-N 3.32Å; L340-H344 PolarHBondContact O-ND1 3.11Å
341I95.2Very high95.1Very high1 Ų135.8 Ų35.81%0.00520%0.198CC..Hα-helixtrans-66.6-50.6177.2-60.4173000109.1V159 T160 L333 H338 Q343 H344 E345V159-I341 VanDerWaalsContact C-CD1 3.43Å; V159-I341 VanDerWaalsContact O-CD1 3.29Å; V159-I341 WeakPolarHBondContact O-CD1 3.24Å; T160-I341 HydrophobicContact CG2-CD1 3.57Å; L333-I341 HydrophobicContact CB-CG2 4.26Å; H338-I341 WeakPolarHBondContact O-CA 3.37Å; H338-I341 WeakPolarHBondContact O-CB 3.49Å; H338-I341 PolarHBondContact O-N 3.4Å; I341-Q343 VanDerWaalsContact C-N 3.26Å; I341-Q343 PolarHBondContact O-N 3.31Å; I341-H344 CarbonylContact O-C 3.57Å; I341-H344 WeakPolarHBondContact O-CA 3.16Å; I341-H344 PolarHBondContact O-N 3.4Å; I341-E345 HydrophobicContact CG2-CG 4.18Å; I341-E345 VanDerWaalsContact CG2-OE1 3.31Å; I341-E345 WeakPolarHBondContact CG2-OE1 3.27Å; I341-E345 VanDerWaalsContact O-CG 3.32Å; I341-E345 WeakPolarHBondContact O-CG 3.34Å; I341-E345 PolarHBondContact O-N 3.4Å
342E95.4Very high94.9Very high88 Ų8836 Ų3641%0.41120%0.2SC..Hα-helixtrans-53.8-44.4175.3-67.3176.7152.800111.3H338 H344 E345 D346H338-E342 IonicContact CD2-OE1 3.4Å; H338-E342 PolarHBondContact CD2-OE1 3.5Å; H338-E342 IonicContact CE1-OE1 3.93Å; H338-E342 IonicContact NE2-OE1 2.72Å; H338-E342 PolarHBondContact NE2-OE1 2.97Å; H338-E342 VanDerWaalsContact NE2-OE1 3.1Å; H338-E342 PolarHBondContact O-N 3.35Å; E342-H344 VanDerWaalsContact C-N 3.31Å; E342-H344 PolarHBondContact O-N 2.93Å; E342-E345 PolarHBondContact O-N 2.97Å; E342-D346 WeakPolarHBondContact O-CB 3.43Å; E342-D346 PolarHBondContact O-N 3.48Å
343Q94.6Very high94.7Very high87 Ų8737.9 Ų37.941%0.40721%0.208SC..Hα-helixtrans-60-38.6175.6-179.6-177.8-2.300112.8R115 G339 L340 I341 A347R115-Q343 PolarHBondContact O-NE2 2.88Å; G339-Q343 WeakPolarHBondContact O-CB 3.45Å; G339-Q343 PolarHBondContact O-N 2.92Å; G339-Q343 VanDerWaalsContact O-N 3.08Å; L340-Q343 PolarHBondContact O-N 2.89Å; I341-Q343 VanDerWaalsContact C-N 3.26Å; I341-Q343 PolarHBondContact O-N 3.31Å; Q343-A347 VanDerWaalsContact O-CB 3.25Å; Q343-A347 WeakPolarHBondContact O-CB 3.22Å; Q343-A347 PolarHBondContact O-N 3.41Å; Q343-A347 VanDerWaalsContact O-N 3.16Å
344H95.4Very high94.4Very high1 Ų138.2 Ų38.21%0.00521%0.209CC..Hα-helixtrans-73.6-40.3177.3-68.10.9000111.4L333 L340 I341 E342 A347 L348L333-H344 HydrophobicContact CD1-CB 4.4Å; L340-H344 VanDerWaalsContact O-CG 3.3Å; L340-H344 PolarHBondContact O-N 3.32Å; L340-H344 PolarHBondContact O-ND1 3.11Å; I341-H344 CarbonylContact O-C 3.57Å; I341-H344 WeakPolarHBondContact O-CA 3.16Å; I341-H344 PolarHBondContact O-N 3.4Å; E342-H344 VanDerWaalsContact C-N 3.31Å; E342-H344 PolarHBondContact O-N 2.93Å; H344-A347 PolarHBondContact O-N 2.89Å; H344-L348 WeakPolarHBondContact O-CB 3.28Å; H344-L348 VanDerWaalsContact O-CD1 3.32Å; H344-L348 WeakPolarHBondContact O-CD1 3.21Å; H344-L348 VanDerWaalsContact O-CG 3.26Å; H344-L348 WeakPolarHBondContact O-CG 3.34Å; H344-L348 PolarHBondContact O-N 3.35Å
345E95.5Very high94.2Very high46 Ų4638.2 Ų38.222%0.21521%0.209CC..Hα-helixtrans-58.2-52.3174.6-71177.2172.400111.2F152 N156 L333 I341 E342 A347 L348 H349F152-E345 WeakPolarHBondContact CE1-O 3.41Å; N156-E345 VanDerWaalsContact ND2-CG 3.26Å; N156-E345 WeakPolarHBondContact ND2-CG 3.34Å; N156-E345 PolarHBondContact ND2-OE1 2.83Å; L333-E345 HydrophobicContact CD1-CB 4.44Å; L333-E345 HydrophobicContact CD1-CG 3.51Å; I341-E345 HydrophobicContact CG2-CG 4.18Å; I341-E345 VanDerWaalsContact CG2-OE1 3.31Å; I341-E345 WeakPolarHBondContact CG2-OE1 3.27Å; I341-E345 VanDerWaalsContact O-CG 3.32Å; I341-E345 WeakPolarHBondContact O-CG 3.34Å; I341-E345 PolarHBondContact O-N 3.4Å; E342-E345 PolarHBondContact O-N 2.97Å; E345-A347 VanDerWaalsContact C-N 3.29Å; E345-A347 PolarHBondContact O-N 3.31Å; E345-L348 PolarHBondContact O-N 3.23Å; E345-H349 WeakPolarHBondContact O-CB 3.35Å; E345-H349 PolarHBondContact O-N 3.37Å
346D94Very high93.8Very high118 Ų11840.5 Ų40.563%0.63122%0.217SC*.Hα-helixtrans-60.4-39.8177.1-78.7-22.4000112.1E342 G350E342-D346 WeakPolarHBondContact O-CB 3.43Å; E342-D346 PolarHBondContact O-N 3.48Å; D346-G350 PolarHBondContact O-N 3Å
347A95.4Very high93.5Very high5 Ų537.2 Ų37.24%0.04120%0.196CC..Hα-helixtrans-67.3-41.8177.700000111.7Y111 F112 R115 V116 Q343 H344 E345 G350 A351Y111-A347 VanDerWaalsContact CE1-O 3.28Å; Y111-A347 WeakPolarHBondContact CE1-O 3.19Å; F112-A347 HydrophobicContact CD1-CB 3.97Å; F112-A347 HydrophobicContact CE1-CB 3.71Å; R115-A347 HydrophobicContact CB-CB 4.21Å; V116-A347 HydrophobicContact CG2-CB 4.27Å; Q343-A347 VanDerWaalsContact O-CB 3.25Å; Q343-A347 WeakPolarHBondContact O-CB 3.22Å; Q343-A347 PolarHBondContact O-N 3.41Å; Q343-A347 VanDerWaalsContact O-N 3.16Å; H344-A347 PolarHBondContact O-N 2.89Å; E345-A347 VanDerWaalsContact C-N 3.29Å; E345-A347 PolarHBondContact O-N 3.31Å; A347-G350 PolarHBondContact O-N 3.46Å; A347-A351 WeakPolarHBondContact O-CB 3.35Å; A347-A351 PolarHBondContact O-N 2.9Å
348L95.4Very high93.2Very high0 Ų033.1 Ų33.10%017%0.17CC..Hα-helixtrans-66.6-43.8177.7-74156.7000111.4F112 I124 M128 F152 L333 H344 E345 G350 A351 L352F112-L348 HydrophobicContact CE1-CG 4.48Å; F112-L348 HydrophobicContact CZ-CD2 3.91Å; F112-L348 HydrophobicContact CZ-CG 4.34Å; I124-L348 HydrophobicContact CG2-CD2 4.31Å; M128-L348 HydrophobicContact CB-CD2 3.64Å; M128-L348 HydrophobicContact CG-CD2 3.78Å; M128-L348 HydrophobicContact SD-CD2 3.39Å; M128-L348 WeakPolarHBondContact SD-CD2 3.32Å; F152-L348 HydrophobicContact CE1-CB 4.09Å; F152-L348 HydrophobicContact CE2-CB 4.3Å; F152-L348 HydrophobicContact CZ-CB 3.49Å; F152-L348 VanDerWaalsContact CZ-CB 3.49Å; F152-L348 HydrophobicContact CZ-CD1 4.45Å; L333-L348 HydrophobicContact CD1-CD1 3.4Å; L333-L348 HydrophobicContact CD2-CD1 3.61Å; L333-L348 HydrophobicContact CG-CD1 4.09Å; H344-L348 WeakPolarHBondContact O-CB 3.28Å; H344-L348 VanDerWaalsContact O-CD1 3.32Å; H344-L348 WeakPolarHBondContact O-CD1 3.21Å; H344-L348 VanDerWaalsContact O-CG 3.26Å; H344-L348 WeakPolarHBondContact O-CG 3.34Å; H344-L348 PolarHBondContact O-N 3.35Å; E345-L348 PolarHBondContact O-N 3.23Å; L348-G350 PolarHBondContact O-N 2.87Å; L348-A351 WeakPolarHBondContact O-CB 3.46Å; L348-A351 PolarHBondContact O-N 3Å; L348-A351 VanDerWaalsContact O-N 3.15Å; L348-L352 PolarHBondContact O-N 3.42Å
349H93.9Very high92.8Very high42 Ų4228.3 Ų28.319%0.19415%0.148CC..Hα-helixtrans-62.1-43.1175-168.2175.3000111.4D149 F152 E345 A351 L352 K353D149-H349 IonicContact OD1-CD2 3.71Å; D149-H349 PolarHBondContact OD1-CD2 3.32Å; D149-H349 IonicContact OD1-NE2 3.1Å; D149-H349 PolarHBondContact OD1-NE2 3.25Å; F152-H349 HydrophobicContact CD1-CB 3.61Å; F152-H349 AromaticContact CD1-CG 3.89Å; F152-H349 HydrophobicContact CE1-CB 3.88Å; F152-H349 HydrophobicContact CG-CB 4.35Å; E345-H349 WeakPolarHBondContact O-CB 3.35Å; E345-H349 PolarHBondContact O-N 3.37Å; H349-A351 VanDerWaalsContact C-N 3.31Å; H349-A351 PolarHBondContact O-N 3.07Å; H349-L352 WeakPolarHBondContact O-CB 3.46Å; H349-L352 PolarHBondContact O-N 2.83Å; H349-K353 PolarHBondContact CE1-NZ 3.46Å; H349-K353 VanDerWaalsContact NE2-CE 3.28Å; H349-K353 WeakPolarHBondContact NE2-CE 3.37Å; H349-K353 PolarHBondContact NE2-NZ 3.41Å; H349-K353 PolarHBondContact O-N 2.84Å; H349-K353 VanDerWaalsContact O-N 3.14Å
350G94.1Very high92.4Very high8 Ų829.4 Ų29.48%0.08214%0.142CC..Hα-helixtrans-62.6-36.6173.400000113G14 Y111 D346 A347 L348 K353 M354G14-G350 WeakPolarHBondContact CA-O 3.48Å; Y111-G350 VanDerWaalsContact OH-CA 3.23Å; Y111-G350 WeakPolarHBondContact OH-CA 3.29Å; D346-G350 PolarHBondContact O-N 3Å; A347-G350 PolarHBondContact O-N 3.46Å; L348-G350 PolarHBondContact O-N 2.87Å; G350-K353 PolarHBondContact O-N 3.47Å; G350-M354 PolarHBondContact O-N 3.12Å
351A94.3Very high91.9Very high0 Ų030.9 Ų30.90%015%0.15CC..Hα-helixtrans-64.8-40174.700000111.6L108 Y111 F112 A347 L348 H349 K353 M354 L355L108-A351 HydrophobicContact CD2-CB 4.08Å; Y111-A351 HydrophobicContact CD1-CB 3.92Å; Y111-A351 HydrophobicContact CE1-CB 3.72Å; Y111-A351 PolarHBondContact OH-N 3.43Å; F112-A351 HydrophobicContact CE1-CB 4.41Å; F112-A351 HydrophobicContact CE2-CB 4.38Å; F112-A351 HydrophobicContact CZ-CB 3.79Å; A347-A351 WeakPolarHBondContact O-CB 3.35Å; A347-A351 PolarHBondContact O-N 2.9Å; L348-A351 WeakPolarHBondContact O-CB 3.46Å; L348-A351 PolarHBondContact O-N 3Å; L348-A351 VanDerWaalsContact O-N 3.15Å; H349-A351 VanDerWaalsContact C-N 3.31Å; H349-A351 PolarHBondContact O-N 3.07Å; A351-K353 VanDerWaalsContact C-N 3.34Å; A351-K353 PolarHBondContact O-N 3.33Å; A351-M354 WeakPolarHBondContact O-CB 3.32Å; A351-M354 PolarHBondContact O-N 3.44Å; A351-L355 VanDerWaalsContact O-CG 3.29Å; A351-L355 WeakPolarHBondContact O-CG 3.22Å; A351-L355 PolarHBondContact O-N 3.12Å
352L92.1Very high91.2Very high5 Ų531.8 Ų31.83%0.02616%0.155CC..Hα-helixtrans-59.2-43.9174-75.4167.1000112.1M128 V148 F152 L348 H349 L355 R356M128-L352 HydrophobicContact CE-CD1 4.44Å; M128-L352 HydrophobicContact CE-CD2 3.43Å; M128-L352 VanDerWaalsContact CE-CD2 3.43Å; M128-L352 HydrophobicContact CE-CG 3.55Å; V148-L352 HydrophobicContact CG1-CD1 3.77Å; V148-L352 HydrophobicContact CG1-CD2 3.76Å; V148-L352 HydrophobicContact CG1-CG 4.43Å; F152-L352 HydrophobicContact CB-CD1 4.22Å; F152-L352 HydrophobicContact CD2-CD1 3.22Å; F152-L352 HydrophobicContact CE2-CD1 3.7Å; F152-L352 HydrophobicContact CG-CD1 3.8Å; L348-L352 PolarHBondContact O-N 3.42Å; H349-L352 WeakPolarHBondContact O-CB 3.46Å; H349-L352 PolarHBondContact O-N 2.83Å; L352-L355 PolarHBondContact O-N 3.39Å; L352-R356 WeakPolarHBondContact O-CB 3.33Å; L352-R356 PolarHBondContact O-N 3.04Å
353K91.9Very high90.6Very high40 Ų4033.3 Ų33.317%0.17417%0.165CC..Hα-helixtrans-61.6-44.8175.7-71.7171.1177.6158.10112.1D149 H349 G350 A351 L355 R356 Q357D149-K353 WeakPolarHBondContact OD1-CE 3.35Å; D149-K353 VanDerWaalsContact OD1-CG 3.22Å; D149-K353 WeakPolarHBondContact OD1-CG 3.36Å; H349-K353 PolarHBondContact CE1-NZ 3.46Å; H349-K353 VanDerWaalsContact NE2-CE 3.28Å; H349-K353 WeakPolarHBondContact NE2-CE 3.37Å; H349-K353 PolarHBondContact NE2-NZ 3.41Å; H349-K353 PolarHBondContact O-N 2.84Å; H349-K353 VanDerWaalsContact O-N 3.14Å; G350-K353 PolarHBondContact O-N 3.47Å; A351-K353 VanDerWaalsContact C-N 3.34Å; A351-K353 PolarHBondContact O-N 3.33Å; K353-L355 VanDerWaalsContact C-N 3.35Å; K353-L355 PolarHBondContact O-N 3.4Å; K353-R356 PolarHBondContact O-N 3.34Å; K353-Q357 WeakPolarHBondContact O-CG 3.26Å; K353-Q357 PolarHBondContact O-N 2.58Å; K353-Q357 VanDerWaalsContact O-N 3.09Å
354M92.4Very high89.9Confident9 Ų929.2 Ų29.24%0.04415%0.146CC..Hα-helixtrans-59.5-46.5175.3176.3-160.262.700111.1T13 L107 L108 Y111 G350 A351 Q357 L358T13-M354 WeakPolarHBondContact O-CA 3.49Å; T13-M354 PolarHBondContact O-N 2.84Å; L107-M354 HydrophobicContact CD1-CE 4.33Å; L107-M354 HydrophobicContact CD1-SD 4.09Å; L107-M354 HydrophobicContact CD2-CE 3.9Å; L107-M354 HydrophobicContact CG-CE 3.83Å; L107-M354 HydrophobicContact CG-SD 4.26Å; L108-M354 HydrophobicContact CD2-CE 4.25Å; Y111-M354 HydrophobicContact CD2-CE 4.17Å; Y111-M354 HydrophobicContact CD2-SD 3.5Å; Y111-M354 VanDerWaalsContact CD2-SD 3.5Å; Y111-M354 HydrophobicContact CE2-CB 4.42Å; Y111-M354 HydrophobicContact CE2-SD 4.22Å; Y111-M354 HydrophobicContact CG-CE 4.22Å; Y111-M354 HydrophobicContact CG-SD 4.07Å; G350-M354 PolarHBondContact O-N 3.12Å; A351-M354 WeakPolarHBondContact O-CB 3.32Å; A351-M354 PolarHBondContact O-N 3.44Å; M354-Q357 PolarHBondContact O-N 3.21Å; M354-L358 PolarHBondContact O-N 2.93Å
355L90.2Very high89Confident0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-63.9-42.1177.8-68.1174.3000111.3L104 L107 L108 M128 F132 F145 A351 L352 K353 Q357 L358 F359L104-L355 HydrophobicContact CD1-CD1 4.29Å; L104-L355 HydrophobicContact CD1-CD2 3.44Å; L104-L355 VanDerWaalsContact CD1-CD2 3.44Å; L107-L355 HydrophobicContact CD2-CD2 3.86Å; L108-L355 HydrophobicContact CD2-CD1 4.37Å; M128-L355 HydrophobicContact CE-CD1 4.39Å; F132-L355 HydrophobicContact CD2-CD1 4.33Å; F145-L355 HydrophobicContact CD1-CB 4.44Å; F145-L355 HydrophobicContact CE1-CB 3.78Å; A351-L355 VanDerWaalsContact O-CG 3.29Å; A351-L355 WeakPolarHBondContact O-CG 3.22Å; A351-L355 PolarHBondContact O-N 3.12Å; L352-L355 PolarHBondContact O-N 3.39Å; K353-L355 VanDerWaalsContact C-N 3.35Å; K353-L355 PolarHBondContact O-N 3.4Å; L355-Q357 VanDerWaalsContact C-N 3.26Å; L355-Q357 PolarHBondContact O-N 2.87Å; L355-L358 HydrophobicContact CD2-CD2 4.43Å; L355-L358 WeakPolarHBondContact O-CA 3.31Å; L355-L358 VanDerWaalsContact O-CB 3.24Å; L355-L358 WeakPolarHBondContact O-CB 3.33Å; L355-L358 PolarHBondContact O-N 3.43Å; L355-F359 WeakPolarHBondContact O-CD2 3.3Å; L355-F359 PolarHBondContact O-N 2.81Å
356R88.1Confident87.7Confident48 Ų4832.2 Ų32.218%0.18116%0.162CC..Hα-helixtrans-56.4-39.9175.2-177.8178.9175.1-1722.9112.2F145 E146 D149 L352 K353 L358 F359F145-R356 HydrophobicContact CB-CB 4.16Å; F145-R356 HydrophobicContact CB-CG 4.08Å; F145-R356 HydrophobicContact CD1-CB 4.39Å; E146-R356 IonicContact OE1-CZ 3.42Å; E146-R356 IonicContact OE1-NE 3.58Å; E146-R356 IonicContact OE1-NH2 3.83Å; E146-R356 PolarHBondContact OE1-NH2 2.9Å; D149-R356 IonicContact OD2-CZ 2.76Å; D149-R356 IonicContact OD2-NH1 3.43Å; D149-R356 PolarHBondContact OD2-NH1 3.31Å; L352-R356 WeakPolarHBondContact O-CB 3.33Å; L352-R356 PolarHBondContact O-N 3.04Å; K353-R356 PolarHBondContact O-N 3.34Å; R356-L358 VanDerWaalsContact C-N 3.31Å; R356-F359 PolarHBondContact O-N 3.32Å
357Q87.9Confident86.4Confident9 Ų929.7 Ų29.74%0.04215%0.148CC..Hα-helixtrans-67.6-32.7175.2-62.7-55.5-33.100112.4K12 K353 M354 L355 F359 K360 M616K12-Q357 PolarHBondContact O-NE2 3.48Å; K353-Q357 WeakPolarHBondContact O-CG 3.26Å; K353-Q357 PolarHBondContact O-N 2.58Å; K353-Q357 VanDerWaalsContact O-N 3.09Å; M354-Q357 PolarHBondContact O-N 3.21Å; L355-Q357 VanDerWaalsContact C-N 3.26Å; L355-Q357 PolarHBondContact O-N 2.87Å; Q357-F359 PolarHBondContact O-N 2.86Å; Q357-K360 PolarHBondContact O-N 3.44Å; Q357-M616 HydrophobicContact CB-CG 4.08Å
358L88.3Confident84.4Confident2 Ų232 Ų321%0.0116%0.161CC..Hα-helixtrans-65.9-24.8179.2-169.960.5000113I90 L107 M354 L355 R356 K360 G531 V533I90-L358 HydrophobicContact CB-CD2 4.35Å; I90-L358 HydrophobicContact CD1-CD2 3.52Å; I90-L358 HydrophobicContact CG2-CD1 4.49Å; I90-L358 HydrophobicContact CG2-CD2 3.79Å; I90-L358 HydrophobicContact CG2-CG 4.13Å; L107-L358 HydrophobicContact CD2-CD2 3.61Å; M354-L358 PolarHBondContact O-N 2.93Å; L355-L358 HydrophobicContact CD2-CD2 4.43Å; L355-L358 WeakPolarHBondContact O-CA 3.31Å; L355-L358 VanDerWaalsContact O-CB 3.24Å; L355-L358 WeakPolarHBondContact O-CB 3.33Å; L355-L358 PolarHBondContact O-N 3.43Å; R356-L358 VanDerWaalsContact C-N 3.31Å; L358-K360 VanDerWaalsContact C-N 3.35Å; L358-G531 PolarHBondContact O-N 3.44Å; L358-V533 HydrophobicContact CD1-CG1 3.87Å; L358-V533 HydrophobicContact CD2-CG1 4.47Å
359F85.6Confident82.1Confident10 Ų1039.2 Ų39.24%0.04420%0.195CC..THydrogen-bonded Turntrans-86.5-2.1178.5-83.4-102.7000114.5F91 R97 L99 F132 I142 F145 L355 R356 Q357F91-F359 HydrophobicContact CE1-CD1 4.31Å; F91-F359 AromaticContact CE1-CE1 3.74Å; F91-F359 HydrophobicContact CE1-CE1 3.74Å; F91-F359 HydrophobicContact CE1-CE2 4.18Å; F91-F359 AromaticContact CE1-CZ 3.69Å; F91-F359 HydrophobicContact CE1-CZ 3.69Å; F91-F359 HydrophobicContact CZ-CD1 4.02Å; F91-F359 HydrophobicContact CZ-CD2 4.44Å; F91-F359 AromaticContact CZ-CE1 3.93Å; F91-F359 HydrophobicContact CZ-CE1 3.93Å; F91-F359 HydrophobicContact CZ-CE2 4.35Å; F91-F359 HydrophobicContact CZ-CG 4.3Å; F91-F359 HydrophobicContact CZ-CZ 4.12Å; R97-F359 PolarHBondContact NH1-O 3.45Å; L99-F359 HydrophobicContact CD1-CE2 3.74Å; L99-F359 HydrophobicContact CD1-CZ 3.43Å; L99-F359 VanDerWaalsContact CD1-CZ 3.43Å; L99-F359 HydrophobicContact CD2-CE2 4.22Å; L99-F359 HydrophobicContact CD2-CZ 4.11Å; L99-F359 HydrophobicContact CG-CE2 4.2Å; L99-F359 HydrophobicContact CG-CZ 3.69Å; F132-F359 HydrophobicContact CZ-CZ 4.39Å; I142-F359 HydrophobicContact CG1-CB 4.21Å; F145-F359 HydrophobicContact CD2-CD2 4.45Å; F145-F359 HydrophobicContact CD2-CG 4.34Å; F145-F359 HydrophobicContact CE1-CD2 4.25Å; F145-F359 HydrophobicContact CE1-CE2 4.15Å; F145-F359 HydrophobicContact CE2-CB 4.48Å; F145-F359 AromaticContact CE2-CD1 3.79Å; F145-F359 HydrophobicContact CE2-CD1 3.79Å; F145-F359 AromaticContact CE2-CD2 3.58Å; F145-F359 HydrophobicContact CE2-CD2 3.58Å; F145-F359 AromaticContact CE2-CE1 3.78Å; F145-F359 HydrophobicContact CE2-CE1 3.78Å; F145-F359 AromaticContact CE2-CE2 3.58Å; F145-F359 HydrophobicContact CE2-CE2 3.58Å; F145-F359 AromaticContact CE2-CG 3.67Å; F145-F359 HydrophobicContact CE2-CG 3.67Å; F145-F359 AromaticContact CE2-CZ 3.65Å; F145-F359 HydrophobicContact CE2-CZ 3.65Å; F145-F359 HydrophobicContact CZ-CD1 4.41Å; F145-F359 AromaticContact CZ-CD2 3.44Å; F145-F359 HydrophobicContact CZ-CD2 3.44Å; F145-F359 VanDerWaalsContact CZ-CD2 3.44Å; F145-F359 HydrophobicContact CZ-CE1 4.18Å; F145-F359 AromaticContact CZ-CE2 3.17Å; F145-F359 HydrophobicContact CZ-CE2 3.17Å; F145-F359 HydrophobicContact CZ-CG 4.05Å; F145-F359 AromaticContact CZ-CZ 3.56Å; F145-F359 HydrophobicContact CZ-CZ 3.56Å; L355-F359 WeakPolarHBondContact O-CD2 3.3Å; L355-F359 PolarHBondContact O-N 2.81Å; R356-F359 PolarHBondContact O-N 3.32Å; Q357-F359 PolarHBondContact O-N 2.86Å
360K85.6Confident79.3Confident62 Ų6242 Ų4227%0.2722%0.215SC..SBendtrans-94.9136.3178.6-65.6178.5-178.4178.70110.2I142 Q357 L358 M616I142-K360 HydrophobicContact CD1-CG 4.41Å; Q357-K360 PolarHBondContact O-N 3.44Å; L358-K360 VanDerWaalsContact C-N 3.35Å; K360-M616 HydrophobicContact CB-CE 4.32Å; K360-M616 WeakPolarHBondContact O-CE 3.48Å
361D84.6Confident76.5Confident68 Ų6847.2 Ų47.236%0.36424%0.241SC..  trans-73149.7165.4-54.3-59.3000108.9R97 M528 A530R97-D361 IonicContact CZ-OD1 3.02Å; R97-D361 IonicContact CZ-OD2 3.51Å; R97-D361 IonicContact NH1-OD2 3.19Å; R97-D361 VanDerWaalsContact NH2-CG 3.35Å; R97-D361 IonicContact NH2-OD1 3.56Å; R97-D361 PolarHBondContact NH2-OD1 2.91Å; R97-D361 IonicContact NH2-OD2 2.65Å; R97-D361 PolarHBondContact NH2-OD2 2.84Å; D361-M528 WeakPolarHBondContact CA-O 3.3Å; D361-A530 WeakPolarHBondContact OD1-CB 3.19Å; D361-A530 PolarHBondContact OD1-N 3.2Å
362L81.4Confident73.5Confident20 Ų2052.6 Ų52.611%0.10527%0.27CS..EExtended strand (participates in β ladder)trans-105.2114.8175.5-173.256.6000109.3L364 S527 M528 M616 Y619L362-L364 HydrophobicContact CD2-CD2 3.62Å; L362-L364 HydrophobicContact CD2-CG 4.32Å; L362-L364 HydrophobicContact CG-CD2 3.77Å; L362-L364 HydrophobicContact CG-CG 4.17Å; L362-L364 PolarHBondContact O-N 2.73Å; L362-S527 CarbonylContact O-C 3.5Å; L362-S527 VanDerWaalsContact O-CA 3.26Å; L362-S527 WeakPolarHBondContact O-CA 3.47Å; L362-M528 HydrophobicContact CB-CB 3.9Å; L362-M528 HydrophobicContact CB-CE 4.2Å; L362-M528 HydrophobicContact CD2-CE 4.19Å; L362-M528 PolarHBondContact N-O 2.85Å; L362-M528 PolarHBondContact O-N 2.9Å; L362-M616 HydrophobicContact CB-CE 3.46Å; L362-M616 VanDerWaalsContact CB-CE 3.46Å; L362-M616 HydrophobicContact CB-SD 4.28Å; L362-M616 HydrophobicContact CD1-CE 3.98Å; L362-M616 HydrophobicContact CD1-SD 3.88Å; L362-M616 HydrophobicContact CD2-SD 4.32Å; L362-M616 HydrophobicContact CG-CE 4.17Å; L362-M616 HydrophobicContact CG-SD 4.38Å; L362-Y619 HydrophobicContact CD1-CD1 3.96Å; L362-Y619 HydrophobicContact CD1-CE1 3.75Å; L362-Y619 HydrophobicContact CD2-CD1 3.6Å; L362-Y619 HydrophobicContact CD2-CD2 3.92Å; L362-Y619 HydrophobicContact CD2-CE1 3.84Å; L362-Y619 HydrophobicContact CD2-CE2 4.11Å; L362-Y619 HydrophobicContact CD2-CG 3.66Å; L362-Y619 HydrophobicContact CG-CD1 4.43Å; L362-Y619 HydrophobicContact CG-CE1 4.34Å
363D81.9Confident71.1Confident119 Ų11959.8 Ų59.864%0.63630%0.303SS*.EExtended strand (participates in β ladder)trans-75.9119.8169.2-59.9-38.1000109.2
364L78.9Confident68.2Low1 Ų165.6 Ų65.61%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-111.1124.4179.9-65.2176.4000108.6D76 M79 D80 L362 S526 M528 Y619D76-L364 HydrophobicContact CB-CB 4.11Å; D76-L364 HydrophobicContact CB-CD2 4Å; M79-L364 HydrophobicContact CB-CD1 4.08Å; M79-L364 HydrophobicContact CB-CD2 4.4Å; D80-L364 HydrophobicContact CB-CD1 3.88Å; L362-L364 HydrophobicContact CD2-CD2 3.62Å; L362-L364 HydrophobicContact CD2-CG 4.32Å; L362-L364 HydrophobicContact CG-CD2 3.77Å; L362-L364 HydrophobicContact CG-CG 4.17Å; L362-L364 PolarHBondContact O-N 2.73Å; L364-S526 WeakPolarHBondContact CB-OG 3.42Å; L364-S526 PolarHBondContact N-O 2.94Å; L364-S526 PolarHBondContact O-N 2.79Å; L364-S526 VanDerWaalsContact O-O 3.12Å; L364-M528 HydrophobicContact CD1-CB 4.16Å; L364-Y619 HydrophobicContact CD2-CE2 4.08Å
365N76.8Confident65Low91 Ų9168.9 Ų68.949%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-121.4124.7-179.8-65.9-56000109.3D76 S525D76-N365 WeakPolarHBondContact CB-O 3.48Å; D76-N365 PolarHBondContact OD2-N 3.48Å; N365-S525 WeakPolarHBondContact OD1-CB 3.39Å
366Y69.5Low62Low19 Ų1975.3 Ų75.38%0.07541%0.412CS..EExtended strand (participates in β ladder)trans-153.9166.4178.165.4-91.6000113.1D76 G77 D80 Q81 T368 L524D76-Y366 HydrophobicContact CB-CD1 4.27Å; G77-Y366 VanDerWaalsContact CA-CG 3.47Å; D80-Y366 HydrophobicContact CB-CE1 3.71Å; D80-Y366 WeakPolarHBondContact OD2-CE1 3.16Å; D80-Y366 PolarHBondContact OD2-OH 3.47Å; Q81-Y366 WeakPolarHBondContact CG-OH 3.35Å; Q81-Y366 PolarHBondContact NE2-OH 3.49Å; Q81-Y366 VanDerWaalsContact NE2-OH 3.16Å; Y366-T368 HydrophobicContact CD2-CG2 4.44Å; Y366-T368 HydrophobicContact CE2-CG2 4.01Å; Y366-L524 HydrophobicContact CE2-CB 4.46Å; Y366-L524 HydrophobicContact CE2-CD1 4.36Å; Y366-L524 PolarHBondContact N-O 3.39Å; Y366-L524 PolarHBondContact O-N 3.28Å
367M65.4Low59.3Low66 Ų6678.2 Ų78.233%0.32544%0.44SS..EExtended strand (participates in β ladder)trans-107.8137.3-179.1-67.5-65.2-161.700111.4Y523M367-Y523 HydrophobicContact CE-CD1 3.42Å; M367-Y523 VanDerWaalsContact CE-CD1 3.42Å; M367-Y523 HydrophobicContact CE-CD2 4.12Å; M367-Y523 HydrophobicContact CE-CE1 2.97Å; M367-Y523 HydrophobicContact CE-CE2 3.71Å; M367-Y523 HydrophobicContact CE-CG 3.98Å; M367-Y523 WeakPolarHBondContact CE-OH 3.36Å; M367-Y523 HydrophobicContact SD-CD1 3.96Å; M367-Y523 HydrophobicContact SD-CD2 4.39Å; M367-Y523 HydrophobicContact SD-CE1 4.11Å; M367-Y523 HydrophobicContact SD-CE2 4.48Å; M367-Y523 HydrophobicContact SD-CG 4.13Å
368T54.1Low56.2Low52 Ų5282.4 Ų82.432%0.31947%0.47SS..  trans-102.6116.9165.847.50000110.2Y366 L524Y366-T368 HydrophobicContact CD2-CG2 4.44Å; Y366-T368 HydrophobicContact CE2-CG2 4.01Å; T368-L524 HydrophobicContact CG2-CD1 4.05Å
369Q46.9Very low53.3Low153 Ų15389.8 Ų89.872%0.71551%0.508SS*.  trans-87.9121.5168.2-66.4-175.521.800109.5
370T35.2Very low50.5Low99 Ų9998.4 Ų98.461%0.60755%0.546SS*.  trans-85.6105.1169.349.10000108.4D372T370-D372 PolarHBondContact O-N 2.94Å; T370-D372 VanDerWaalsContact O-N 3.16Å
371N36.3Very low47.6Very low119 Ų119101.8 Ų101.864%0.63657%0.566SS**  trans-78.196.1174.9-78.5-12000110Q373N371-Q373 PolarHBondContact O-N 3.02Å
372D30.9Very low44.7Very low113 Ų113108.3 Ų108.360%0.60459%0.587SS**  trans-76.3104158.7-83.5-21.9000108.3T370 N374T370-D372 PolarHBondContact O-N 2.94Å; T370-D372 VanDerWaalsContact O-N 3.16Å; D372-N374 PolarHBondContact O-N 3.27Å; D372-N374 VanDerWaalsContact O-N 3.16Å
373Q41.2Very low41.9Very low155 Ų155116.8 Ų116.872%0.72462%0.623SS**  trans-71.899.9156.2-72.5-163.3-10.700107.3N371N371-Q373 PolarHBondContact O-N 3.02Å
374N31.7Very low39.2Very low163 Ų163117.7 Ų117.787%0.87263%0.628SS**  trans168.3109.5138-83.1-23.5000109.3D372D372-N374 PolarHBondContact O-N 3.27Å; D372-N374 VanDerWaalsContact O-N 3.16Å
375G25.6Very low36.7Very low78 Ų78123.5 Ų123.580%0.80467%0.668SS**  trans160.993.317400000112.6S377G375-S377 PolarHBondContact O-N 2.94Å
376T26.7Very low34.2Very low135 Ų135122.5 Ų122.583%0.82868%0.679SS**  trans-26.3120.7172.2-43.80000115.7
377S30.6Very low32.2Very low109 Ų109130.2 Ų130.276%0.76272%0.716SS**  trans18115.2156.162.80000119.2G375G375-S377 PolarHBondContact O-N 2.94Å
378S23.5Very low30.2Very low96 Ų96132.2 Ų132.267%0.67174%0.737SS**  trans-148.3126.9134.659.30000111.3
379L27.1Very low28.9Very low157 Ų157140.5 Ų140.582%0.82276%0.764SS**  trans-77116.9-179.3-164.888.4000108.4I381L379-I381 PolarHBondContact O-N 3.47Å
380F27.1Very low27.9Very low191 Ų191142.7 Ų142.784%0.83877%0.774SS**  trans-90.7102.2173.1-84.2-77.5000111.4
381I24.9Very low27.4Very low133 Ų133142.3 Ų142.368%0.68278%0.781SS**  trans-63.9128.8163.8-67172.2000108.7L379 K383L379-I381 PolarHBondContact O-N 3.47Å; I381-K383 PolarHBondContact O-N 2.99Å; I381-K383 VanDerWaalsContact O-N 3.14Å
382Y23.2Very low27.1Very low205 Ų205142.9 Ų142.980%0.80479%0.791SS**  trans-63.1107.2170.5-146.2-92.9000109.1N384Y382-N384 PolarHBondContact O-N 3.45Å
383K23.4Very low26.9Very low198 Ų198145.4 Ų145.486%0.86180%0.804SS**  trans-86.1104.6167.5-89.3-171.6175.8-178.60108.8I381 S385I381-K383 PolarHBondContact O-N 2.99Å; I381-K383 VanDerWaalsContact O-N 3.14Å; K383-S385 PolarHBondContact O-N 3.19Å
384N24.8Very low26.7Very low139 Ų139143.6 Ų143.674%0.74381%0.806SS**  trans-65.4116.7157.8-76.6-26.3000108.3Y382 G386Y382-N384 PolarHBondContact O-N 3.45Å; N384-G386 PolarHBondContact O-N 3.48Å
385S25.4Very low26.3Very low122 Ų122139.2 Ų139.285%0.85380%0.799SS**  trans-78.991.1163.450.80000108.5K383K383-S385 PolarHBondContact O-N 3.19Å
386G25.6Very low26.3Very low70 Ų70143.8 Ų143.872%0.72281%0.805SS**PPolyproline II helixtrans-85119.215900000108.6N384N384-G386 PolarHBondContact O-N 3.48Å
387E26.3Very low26.3Very low182 Ų182140.4 Ų140.485%0.8580%0.797SS**PPolyproline II helixtrans-70.6126.9169.9-75.1177.8158.200109.7
388S23.8Very low26Very low107 Ų107140.1 Ų140.175%0.74880%0.796SS**PPolyproline II helixtrans-80.8119.3179.9500000111.2
389Y27.1Very low26.2Very low227 Ų227142.3 Ų142.389%0.8980%0.798SS**PPolyproline II helixtrans-101.8117.5150.7-75.5-77.7000108.2
390Q26.5Very low26.2Very low198 Ų198143.3 Ų143.393%0.92580%0.799SS**PPolyproline II helixtrans-69.1129.5174.2-74.2173.1-41.500110
391A24.8Very low26.3Very low91 Ų91144.9 Ų144.975%0.75280%0.799SS**  trans-110.8140.1160.400000108.4
392P29.3Very low26.8Very low132 Ų132144.1 Ų144.186%0.85780%0.803SS**PPolyproline II helixtrans-83148.5169.6-4.322.8000112.2
393D26.4Very low26.9Very low165 Ų165143.4 Ų143.488%0.88280%0.8SS**PPolyproline II helixtrans-67.2170.6-175.4-122.30.6000115
394P36.8Very low27.1Very low117 Ų117141.1 Ų141.176%0.7679%0.793SS**PPolyproline II helixtrans-95.9158.8-153.838.4-38.5000114.9
395G23.9Very low27Very low71 Ų71140.1 Ų140.173%0.73279%0.787SS**  trans-152.9111168.100000112.9
396N25.9Very low27Very low174 Ų174139.7 Ų139.793%0.9378%0.78SS**  trans43.6136.1145.4-75.8-13.4000123.2
397G25.5Very low27Very low64 Ų64142.9 Ų142.966%0.6679%0.785SS**  trans99.7101149.600000113.9
398S25.9Very low26.9Very low104 Ų104138.9 Ų138.973%0.72778%0.782SS**  92.3115.187.367.70000113.8
399I26.9Very low27.1Very low142 Ų142141.8 Ų141.873%0.72878%0.784SS**  trans85.5130.7136.4-60.6166000119.2
400Q26.1Very low27Very low177 Ų177137.3 Ų137.383%0.82778%0.776SS**  trans82115.1151.7-86155.9-800122.4
401R30.1Very low27.1Very low224 Ų224136.2 Ų136.285%0.84577%0.768SS**  trans-69.2152.5136.3-70.4-177.8173.9-180-2.2109.4
402P35.5Very low27.1Very low117 Ų117139 Ų13976%0.7677%0.77SS**  -139147.792.714.99.1000113.2
403Y24.1Very low26.9Very low191 Ų191137.7 Ų137.775%0.74977%0.77SS**  62.4117.292.4-103.4-109.6000115
404Q27.6Very low26.9Very low150 Ų150137.8 Ų137.870%0.70177%0.77SS**  103.6150.1122.7-97.8-179.2-38.900112.3
405D24.4Very low26.4Very low117 Ų117139.4 Ų139.463%0.62677%0.767SS**  cis-169.7164.6-2.4-130.1-19.2000107.2
406T24.8Very low26.6Very low114 Ų114143.9 Ų143.970%0.69977%0.767SS**  trans60.6117.7151.735.10000121.8
407V24.9Very low26.6Very low137 Ų137142.5 Ų142.583%0.8377%0.765SS**  71.6116.789.8175.80000114.4
408A24.4Very low26.6Very low97 Ų97148 Ų14880%0.80277%0.774SS**  170.3141.4122.100000113
409E27.3Very low26.6Very low168 Ų168148.8 Ų148.879%0.78577%0.774SS**  trans-68.7147.2172.5-59168.5132.500113
410N26.3Very low26.5Very low133 Ų133150.9 Ų150.971%0.71177%0.774SS**  168.2133.9107.2-93.3-58.9000114.8
411K27.5Very low26.4Very low175 Ų175151.2 Ų151.276%0.76178%0.78SS**  trans35.2128.4140.7-68.5-171.2174.8-177.80124.2
412D25.9Very low26.1Very low150 Ų150147.8 Ų147.880%0.80277%0.772SS**  trans60.7108.8135.8-62.9-24.3000120.9
413A25.3Very low25.6Very low104 Ų104148.1 Ų148.186%0.8677%0.771SS**  -167.5118.7120.800000112.1
414L25.5Very low25.5Very low168 Ų168146.6 Ų146.688%0.8877%0.771SS**  trans-22127.9156.6-16480.2000116.7
415E27.3Very low25.3Very low150 Ų150143.2 Ų143.270%0.70176%0.764SS**  -168117.5128.8-105.4-169.8155.900114
416K27.2Very low25.2Very low165 Ų165144.5 Ų144.572%0.71777%0.771SS**  trans44.4107.3136.8-61167-173.1154.10119.5
417T26.3Very low25.2Very low145 Ų145146.4 Ų146.489%0.8978%0.775SS**  -162.197.5124.13.30000111.6
418Q24.6Very low25.2Very low181 Ų181145.6 Ų145.685%0.84677%0.771SS**  trans-85.4127.6153.6-82.4175.9-22.300107.6
419T25.9Very low25.1Very low120 Ų120147.6 Ų147.674%0.73677%0.766SS**  trans177.7139.9146.9220000111.1
420Y25Very low25Very low186 Ų186145.5 Ų145.573%0.72977%0.768SS**  cis-172.3123.8-12.6-129.4-111.8000103.2K422Y420-K422 PolarHBondContact O-N 2.97Å
421L25Very low24.7Very low183 Ų183146.1 Ų146.196%0.95877%0.771SS**  trans-77.1113166.1-108.1155.8000106.7
422K23.3Very low24.6Very low153 Ų153144.8 Ų144.867%0.66578%0.777SS**  trans-113.3107.2-178.4-135.8178.7-175.2-172.80111.2Y420 H424Y420-K422 PolarHBondContact O-N 2.97Å; K422-H424 WeakPolarHBondContact CE-NE2 3.37Å
423V24.3Very low24.4Very low123 Ų123145.3 Ų145.375%0.74578%0.775SS**  trans-54.2134153.8172.70000109
424H22.9Very low24.2Very low159 Ų159147.4 Ų147.474%0.73677%0.77SS**  trans-142.6110.2152.4-88.8-63.7000110.8K422K422-H424 WeakPolarHBondContact CE-NE2 3.37Å
425S22.9Very low24Very low80 Ų80147.5 Ų147.556%0.55977%0.767SS**  trans-84.9156.6159.247.80000110.7
426N23.2Very low24Very low144 Ų144146.8 Ų146.877%0.7777%0.772SS**  trans84.9140.3163.8-53.8-18.1000114.9
427L25.1Very low23.8Very low153 Ų153149.1 Ų149.180%0.80178%0.778SS**  cis-168.2154.931.4-152.377000104.7
428V23.6Very low23.7Very low120 Ų120147.9 Ų147.973%0.72777%0.765SS**  -178.8134.867.8172.50000109
429I23.7Very low23.7Very low139 Ų139144.4 Ų144.471%0.71376%0.758SS**PPolyproline II helixtrans-91.4144.5162.8-65.3161.5000107.8
430P23.8Very low23.5Very low125 Ų125147.9 Ų147.981%0.81276%0.759SS**PPolyproline II helixtrans-95.1119.2156.925.4-11.5000110.8
431D21.4Very low23.6Very low146 Ų146144.8 Ų144.878%0.78176%0.764SS**PPolyproline II helixtrans-71.9137.8166-80.6-41.7000111.3
432V24.1Very low23.6Very low146 Ų146142.1 Ų142.189%0.88576%0.756SS**  trans-144.5114.8142.9176.90000107.9
433E21.6Very low23.9Very low162 Ų162140.3 Ų140.376%0.75776%0.76SS**  trans-55157165.7-62.6176.114500110.9
434L22.5Very low24Very low147 Ų147141.1 Ų141.177%0.7777%0.765SS**  cis-177.6177.129.3-131.2157.2000106.9
435E21.3Very low24Very low171 Ų171141.6 Ų141.680%0.79977%0.773SS**  trans100.8100.6158.2-69.1-175.9174.600120.4
436T26.4Very low24.2Very low134 Ų134143.8 Ų143.882%0.82278%0.783SS**  trans-36.3126.3148.739.60000114.7
437Y22.3Very low24.5Very low214 Ų214142.3 Ų142.384%0.83978%0.781SS**  trans-132.3111.6157.1-154.4-98.6000111
438I25.2Very low24.5Very low120 Ų120140.3 Ų140.362%0.61578%0.775SS**  trans-82.1121.5168-63.1168000106.6Y440I438-Y440 HydrophobicContact CG2-CD2 4.49Å; I438-Y440 PolarHBondContact O-N 3.44Å; I438-Y440 VanDerWaalsContact O-N 3.1Å
439P25.1Very low24.5Very low107 Ų107141.2 Ų141.270%0.69578%0.776SS**  trans-78.710016826.3-23.4000109.4S441P439-S441 PolarHBondContact O-N 2.99Å
440Y21.5Very low24.7Very low193 Ų193139.1 Ų139.176%0.75777%0.77SS**  trans-54.6127.3159.8-79.6-93.1000110I438I438-Y440 HydrophobicContact CG2-CD2 4.49Å; I438-Y440 PolarHBondContact O-N 3.44Å; I438-Y440 VanDerWaalsContact O-N 3.1Å
441S27Very low24.9Very low121 Ų121142.3 Ų142.385%0.84677%0.771SS**  trans-112.3108.8161.6-52.40000107.3P439P439-S441 PolarHBondContact O-N 2.99Å
442T25.1Very low25.1Very low128 Ų128143.6 Ų143.679%0.78577%0.773SS**  trans-94164.4173.719.20000111
443P28Very low25.2Very low114 Ų114142.7 Ų142.774%0.7477%0.768SS**  -104.3159.5-12739.3-35.4000113.3
444T26.7Very low25.3Very low141 Ų141140.6 Ų140.687%0.86577%0.766SS**  trans-133.3107.5156.828.20000110.6
445L24.6Very low25.4Very low169 Ų169142 Ų14289%0.88577%0.768SS**  trans7.9123.6153.6-72.5139000118.9
446T26.3Very low25.6Very low126 Ų126139 Ų13977%0.77376%0.762SS**  trans-61.6165.4158.251.40000111.5
447P30.1Very low25.5Very low113 Ų113141 Ų14173%0.73477%0.766SS**  -138.6139.782.414.210.3000115.8
448T24.2Very low25.5Very low111 Ų111136.9 Ų136.968%0.68176%0.763SS**  68107.6127.3-36.90000119.2
449D24.6Very low25.3Very low138 Ų138137.1 Ų137.174%0.73878%0.775SS**  -174.3130.695.9-104.7-40.5000114.2
450T26.3Very low25.3Very low95 Ų95140 Ų14058%0.58378%0.783SS**  trans15127.814435.40000118.5
451F28.5Very low25.4Very low192 Ų192136.1 Ų136.184%0.84278%0.784SS**  -162.6149.457.6-84.1-85.4000112.8
452Q25.7Very low25.2Very low174 Ų174138.6 Ų138.681%0.81379%0.787SS**  trans-55.9160.2161-63161.1-25.400110.3
453T25.8Very low25.1Very low127 Ų127141.3 Ų141.378%0.77979%0.791SS**  cis-173.9155.141.9-23.10000109.6
454V23.7Very low25Very low118 Ų118146.6 Ų146.672%0.71580%0.796SS**  trans-26.3140.1152.1-178.80000115.3
455E25.1Very low24.7Very low177 Ų177146.5 Ų146.583%0.82779%0.79SS**  trans176115.7130.3-97.2168.6178.800111.2
456T24.7Very low24.7Very low108 Ų108149.2 Ų149.266%0.66379%0.789SS**  72.810685.3-39.10000113.6T458T456-T458 PolarHBondContact O-N 3.22Å
457L25.1Very low24.5Very low175 Ų175150.9 Ų150.992%0.91679%0.792SS**  trans-53.4121.2161.6-86.5143.3000110.8
458T22.8Very low24.1Very low127 Ų127150.4 Ų150.478%0.77979%0.787SS**  trans-144.7123.9153.126.30000110.8T456T456-T458 PolarHBondContact O-N 3.22Å
459C21.4Very low24.1Very low126 Ų126153 Ų15385%0.85180%0.797SS**  trans-67.5138163.3-72.30000109.3
460L24.1Very low24Very low168 Ų168156 Ų15688%0.8880%0.799SS**  trans-131.6127.4155-75.9175.2000110.3
461S22.9Very low24Very low110 Ų110162.6 Ų162.677%0.76982%0.815SS**  trans-64.5151.1167.344.60000111.6
462L23.9Very low23.8Very low174 Ų174160.6 Ų160.691%0.91181%0.809SS**  trans-148.3100.9154.6-160.470000111
463E23.1Very low23.9Very low185 Ų185158.2 Ų158.286%0.86481%0.808SS**  trans-80.8130.3151.6-81-177.3143.800108.8
464R24.9Very low23.7Very low224 Ų224158.4 Ų158.485%0.84580%0.804SS**  trans-169.9112135.3-163.2167.4-71.8176.8-1.3113.1
465N22Very low23.7Very low139 Ų139159.8 Ų159.874%0.74381%0.806SS**  trans29.2127.7135.9-68.2-34.2000123.6
466R22.8Very low23.5Very low226 Ų226160.2 Ų160.285%0.85381%0.805SS**  trans68.7119.5131.8-68.3-176.3-179.9179.6-0.1121.1
467L22.3Very low23.5Very low161 Ų161162.2 Ų162.284%0.84381%0.812SS**  179.398.2128.9-96.8147.5000107.4
468T22.8Very low23.4Very low104 Ų104161.7 Ų161.764%0.63881%0.81SS**  41.9106.1104-10.40000114.1
469D22.8Very low23.6Very low165 Ų165160.9 Ų160.988%0.88281%0.81SS**  trans-156.1128.3131.1-105.8-23.1000112
470Y22.6Very low23.7Very low201 Ų201161.5 Ų161.579%0.78881%0.81SS**  trans-72.1139.1174.2-85.2-104.3000109.7
471Y26.6Very low23.7Very low234 Ų234158 Ų15892%0.91881%0.805SS**  trans-160104136.8-96.8-71000109.6
472E24.8Very low23.6Very low150 Ų150164 Ų16470%0.70181%0.813SS**  trans-88149.5156-155.6177.1-148.400107.3
473P27Very low23.6Very low123 Ų123160.8 Ų160.880%0.79981%0.805SS**  -133.6122.6129.829.5-15.2000112.4
474L21.9Very low23.7Very low132 Ų132158.3 Ų158.369%0.69180%0.802SS**  trans-54133.9151.8-80.8135.8000110.5
475L24.2Very low23.6Very low146 Ų146158 Ų15876%0.76480%0.801SS**  -176.1138.3108.1-117.5107.7000114.3
476K21.8Very low23.8Very low187 Ų187154.5 Ų154.581%0.81380%0.798SS**  trans84.5102.8144.2-107.5172.7-171.9173.60120.6
477N23Very low23.8Very low150 Ų150150.8 Ų150.880%0.80280%0.795SS**  trans-35.4135.9148.5-67.7-21.5000113.6
478N23.2Very low24.3Very low163 Ų163152.4 Ų152.487%0.87279%0.79SS**  trans-150.3128.1134-86.7-30.2000109.4
479S27.4Very low24.5Very low111 Ų111154.4 Ų154.478%0.77680%0.795SS**  trans-66.9128.8177.352.10000112.2
480T24.5Very low24.6Very low139 Ų139155.3 Ų155.385%0.85379%0.794SS**  trans-167.9124.6145.1-10000113.1
481A22.5Very low25.2Very low95 Ų95150.5 Ų150.579%0.78578%0.781SS**  trans38.4106.7152.100000120.2S483A481-S483 PolarHBondContact O-N 2.98Å; A481-S483 VanDerWaalsContact O-N 3.15Å
482Y21.9Very low25.4Very low235 Ų235142.8 Ų142.892%0.92276%0.761SS**  trans-67.5105.1159.9-75.2-84.2000110.8
483S23.7Very low26.3Very low107 Ų107140.6 Ų140.675%0.74875%0.747SS**  trans-102103.4152.6102.30000107.4A481 R485A481-S483 PolarHBondContact O-N 2.98Å; A481-S483 VanDerWaalsContact O-N 3.15Å; S483-R485 VanDerWaalsContact C-N 3.3Å; S483-R485 PolarHBondContact O-N 3.34Å
484T25.3Very low26.7Very low132 Ų132142.5 Ų142.581%0.8175%0.745SS**  trans-76.484.6177.9-42.50000108.8G486T484-G486 PolarHBondContact O-N 3.37Å; T484-G486 VanDerWaalsContact O-N 3.07Å
485R23.5Very low27.5Very low219 Ų219142.8 Ų142.883%0.82675%0.748SS**  trans-72.793.8166.4-166.6177.3-176.3-174.80.9107.5S483 N487S483-R485 VanDerWaalsContact C-N 3.3Å; S483-R485 PolarHBondContact O-N 3.34Å; R485-N487 PolarHBondContact O-N 3.29Å
486G24.5Very low28.4Very low65 Ų65137.2 Ų137.267%0.6772%0.719SS**  trans-66.796.7175.700000110.9T484 R488T484-G486 PolarHBondContact O-N 3.37Å; T484-G486 VanDerWaalsContact O-N 3.07Å; G486-R488 PolarHBondContact O-N 2.65Å; G486-R488 VanDerWaalsContact O-N 3.17Å
487N23.9Very low29.5Very low148 Ų148134.7 Ų134.779%0.79171%0.71SS**  trans-68.6105.3159-82.6-5.7000107.4R485R485-N487 PolarHBondContact O-N 3.29Å
488R33.2Very low30.7Very low195 Ų195131 Ų13174%0.73669%0.692SS**  trans-95.3124179.9-154.3-176.3-126.2-152.41.2108.4G486 E490G486-R488 PolarHBondContact O-N 2.65Å; G486-R488 VanDerWaalsContact O-N 3.17Å; R488-E490 PolarHBondContact O-N 2.9Å
489I25.9Very low31.5Very low145 Ų145125 Ų12574%0.74466%0.662SS**  trans-71116.1177.8-61.6167.1000108.2I491I489-I491 HydrophobicContact CG2-CG1 4.24Å
490E25.8Very low31.6Very low185 Ų185126.4 Ų126.486%0.86466%0.66SS**  trans-74.6114.3163-163.6166.8-148.100106.2R488R488-E490 PolarHBondContact O-N 2.9Å
491I34.7Very low32.2Very low100 Ų100125.4 Ų125.451%0.51365%0.649SS.*  trans-85.1119.2-176.9-55.5174.2000107.9I489 T610I489-I491 HydrophobicContact CG2-CG1 4.24Å; I491-T610 HydrophobicContact CD1-CG2 4.11Å
492S30.8Very low32.5Very low72 Ų72128.2 Ų128.250%0.50366%0.656SS.*  trans-69.2129.6163.554.90000108.9E494S492-E494 PolarHBondContact O-N 2.93Å; S492-E494 PolarHBondContact OG-OE2 3.41Å
493Y43.5Very low33Very low103 Ų103127.6 Ų127.640%0.40465%0.652SS.*  trans-74.729.8179.4-69.4-82.2000113.3N495 L496Y493-N495 PolarHBondContact O-N 3.45Å; Y493-L496 HydrophobicContact CD1-CD1 3.94Å; Y493-L496 PolarHBondContact O-N 3.38Å
494E35.7Very low33.3Very low163 Ų163133.1 Ų133.176%0.76266%0.663SS**THydrogen-bonded Turntrans-62.2-18.6-169.3-79.7166.8149.600114.2S492S492-E494 PolarHBondContact O-N 2.93Å; S492-E494 PolarHBondContact OG-OE2 3.41Å
495N37.6Very low33.2Very low139 Ų139130.1 Ų130.174%0.74366%0.658SS**THydrogen-bonded Turntrans-106.51.3-178.2-64.5-41.7000115.2Y493Y493-N495 PolarHBondContact O-N 3.45Å
496L44.5Very low33.2Very low29 Ų29124.7 Ų124.715%0.15265%0.653CS.*  trans-107.1110.7178.1-82.5151.6000109.2L88 S89 Y493 V498L88-L496 HydrophobicContact CB-CD2 4.43Å; L88-L496 HydrophobicContact CD1-CD1 4.37Å; S89-L496 WeakPolarHBondContact O-CD2 3.39Å; Y493-L496 HydrophobicContact CD1-CD1 3.94Å; Y493-L496 PolarHBondContact O-N 3.38Å; L496-V498 PolarHBondContact O-N 3.04Å
497Q44.7Very low33.6Very low134 Ų134130.7 Ų130.763%0.62667%0.666SS**  trans-69.5117.1171.1-65.1-173.59.700108.3S89 T499S89-Q497 PolarHBondContact N-O 2.9Å; Q497-T499 PolarHBondContact O-N 2.59Å
498V48.2Very low33.6Very low71 Ų71130.1 Ų130.143%0.4366%0.663SS.*BIsolated β-bridgetrans-53.3135.6154.1177.80000105.5L88 L496 N500L88-V498 HydrophobicContact CD2-CG2 4.09Å; L496-V498 PolarHBondContact O-N 3.04Å; V498-N500 PolarHBondContact O-N 2.95Å
499T38.7Very low33.3Very low38 Ų38126.7 Ų126.723%0.23367%0.666CS.*  trans-58.989.9177.842.80000109.3F87 Q497 I501F87-T499 PolarHBondContact O-OG1 3.25Å; Q497-T499 PolarHBondContact O-N 2.59Å; T499-I501 PolarHBondContact O-N 3.08Å
500N30.5Very low33.2Very low140 Ų140125 Ų12575%0.74966%0.662SS**  trans-74.980.4169.6-80.2-23.9000105.7V498 T502V498-N500 PolarHBondContact O-N 2.95Å; N500-T502 PolarHBondContact O-N 3.3Å; N500-T502 VanDerWaalsContact O-N 3.16Å
501I37Very low33.3Very low119 Ų119120.6 Ų120.661%0.6165%0.651SS**  trans-54.9122163.2-54.4168.8000104.7T499 R503T499-I501 PolarHBondContact O-N 3.08Å; I501-R503 PolarHBondContact O-N 2.9Å
502T28.3Very low32.9Very low153 Ų153121.9 Ų121.994%0.93967%0.668SS**SBendtrans-62.879.3176.3-41.30000109.2N500N500-T502 PolarHBondContact O-N 3.3Å; N500-T502 VanDerWaalsContact O-N 3.16Å
503R32.7Very low32.6Very low222 Ų222127 Ų12784%0.83868%0.681SS**  trans-133.4107.7168.5-156.5177.1-145.61616.7106I501 G505I501-R503 PolarHBondContact O-N 2.9Å; R503-G505 PolarHBondContact O-N 3.46Å
504K29.3Very low31.8Very low224 Ų224129.4 Ų129.497%0.97470%0.7SS**  trans-49.8103.1177.9-151.1174.8-172.1179.70108.8
505G25.1Very low31.3Very low69 Ų69127.1 Ų127.171%0.71170%0.699SS**  trans-162.198-179.600000109.3R503R503-G505 PolarHBondContact O-N 3.46Å
506S23.4Very low30.7Very low104 Ų104128.4 Ų128.473%0.72771%0.706SS**  trans-59.8140.9177.854.50000112L508S506-L508 PolarHBondContact O-N 3.2Å
507M31.8Very low30.1Very low192 Ų192134.8 Ų134.895%0.94674%0.737SS**SBendtrans-63.297.7163.1-82.5-159.6139.800110.6
508L23.3Very low29.2Very low136 Ų136131.4 Ų131.471%0.71274%0.738SS**SBendtrans-149.9156.4163.4-89.3178.3000109.3S506 V510S506-L508 PolarHBondContact O-N 3.2Å; L508-V510 PolarHBondContact O-N 3Å; L508-V510 VanDerWaalsContact O-N 3.07Å
509P27.4Very low28.5Very low123 Ų123134.2 Ų134.280%0.79976%0.755SS**  trans-74106.1-164.330-32000110
510V24.5Very low28.3Very low110 Ų110136.6 Ų136.667%0.66777%0.774SS**  trans-108.3105.5178.9177.20000108.3L508 C512L508-V510 PolarHBondContact O-N 3Å; L508-V510 VanDerWaalsContact O-N 3.07Å; V510-C512 PolarHBondContact O-N 2.92Å
511S27.9Very low28.8Very low92 Ų92138.5 Ų138.564%0.64378%0.778SS**  trans-44127.8152.157.80000108.2K513S511-K513 PolarHBondContact O-N 3.45Å
512C26.5Very low29.3Very low127 Ų127135.1 Ų135.186%0.85877%0.765SS**  trans-37.9103.6-178.4-63.60000112.2V510V510-C512 PolarHBondContact O-N 2.92Å
513K23.2Very low30.6Very low178 Ų178136.9 Ų136.977%0.77476%0.756SS**  trans-117.3117.5167.2-76.9-168.1176.7-174.60107.9S511S511-K513 PolarHBondContact O-N 3.45Å
514L28Very low32Very low155 Ų155129.7 Ų129.781%0.81273%0.734SS**PPolyproline II helixtrans-69.6149.4175.9-149.277.3000109.6
515P25.2Very low33.6Very low114 Ų114123.6 Ų123.674%0.7472%0.72SS**PPolyproline II helixtrans-63.5146.2164.1-14.129000110.6
516N23.9Very low36.2Very low167 Ų167121.6 Ų121.689%0.89369%0.694SS**PPolyproline II helixtrans-60.7153.8-173.9-85-21.4000115.2
517M32.7Very low38.7Very low163 Ų163120.3 Ų120.380%0.80369%0.685SS**PPolyproline II helixtrans-56.8145.3-168.7-62.1-17193.400116.9
518G25.6Very low41.1Very low62 Ų62111.6 Ų111.664%0.63964%0.643SS**  trans-169.4122.9159.100000109.7S520G518-S520 PolarHBondContact O-N 2.62Å; G518-S520 VanDerWaalsContact O-N 3.14Å
519T34.2Very low43.9Very low130 Ų130108.2 Ų108.280%0.79863%0.629SS**  trans-72.597.5-178.540.30000111.5
520S34.2Very low46.7Very low89 Ų89102.8 Ų102.862%0.62259%0.594SS**  trans-159.1133.5159.963.20000109.8G518 S522G518-S520 PolarHBondContact O-N 2.62Å; G518-S520 VanDerWaalsContact O-N 3.14Å; S520-S522 PolarHBondContact O-N 3.16Å
521Q41.3Very low49.8Very low179 Ų17997.7 Ų97.784%0.83656%0.564SS**  trans-65.3100.4165.3-82.1174-11.100107.8
522S47.4Very low52.8Low48 Ų4893.5 Ų93.534%0.33653%0.534SS..  trans-93.7119.7174.3580000109.7S520 L524S520-S522 PolarHBondContact O-N 3.16Å; S522-L524 PolarHBondContact O-N 3.49Å
523Y54.7Low55.9Low190 Ų19087.4 Ų87.475%0.74549%0.493SS*.EExtended strand (participates in β ladder)trans-66.9114.7162.4-76-104.9000107M367M367-Y523 HydrophobicContact CE-CD1 3.42Å; M367-Y523 VanDerWaalsContact CE-CD1 3.42Å; M367-Y523 HydrophobicContact CE-CD2 4.12Å; M367-Y523 HydrophobicContact CE-CE1 2.97Å; M367-Y523 HydrophobicContact CE-CE2 3.71Å; M367-Y523 HydrophobicContact CE-CG 3.98Å; M367-Y523 WeakPolarHBondContact CE-OH 3.36Å; M367-Y523 HydrophobicContact SD-CD1 3.96Å; M367-Y523 HydrophobicContact SD-CD2 4.39Å; M367-Y523 HydrophobicContact SD-CE1 4.11Å; M367-Y523 HydrophobicContact SD-CE2 4.48Å; M367-Y523 HydrophobicContact SD-CG 4.13Å
524L62.2Low59.2Low72 Ų7279.1 Ų79.138%0.37746%0.457SS..EExtended strand (participates in β ladder)trans-99.1114.9175-72.4165.9000108.3Y366 T368 S522Y366-L524 HydrophobicContact CE2-CB 4.46Å; Y366-L524 HydrophobicContact CE2-CD1 4.36Å; Y366-L524 PolarHBondContact N-O 3.39Å; Y366-L524 PolarHBondContact O-N 3.28Å; T368-L524 HydrophobicContact CG2-CD1 4.05Å; S522-L524 PolarHBondContact O-N 3.49Å
525S64.1Low62.3Low96 Ų9672.4 Ų72.467%0.67142%0.423SS*.EExtended strand (participates in β ladder)trans-95.6127.9162.954.70000108.4N365N365-S525 WeakPolarHBondContact OD1-CB 3.39Å
526S77.8Confident65.3Low26 Ų2668 Ų6818%0.18239%0.394CS..EExtended strand (participates in β ladder)trans-127.7153.7174.758.50000108.5D80 L364D80-S526 VanDerWaalsContact CG-OG 3.23Å; D80-S526 PolarHBondContact OD1-OG 2.85Å; D80-S526 PolarHBondContact OD2-OG 3.24Å; L364-S526 WeakPolarHBondContact CB-OG 3.42Å; L364-S526 PolarHBondContact N-O 2.94Å; L364-S526 PolarHBondContact O-N 2.79Å; L364-S526 VanDerWaalsContact O-O 3.12Å
527S76.3Confident68.3Low77 Ų7760.2 Ų60.254%0.53835%0.353SS..EExtended strand (participates in β ladder)trans-118.3124173.159.50000110.1L362L362-S527 CarbonylContact O-C 3.5Å; L362-S527 VanDerWaalsContact O-CA 3.26Å; L362-S527 WeakPolarHBondContact O-CA 3.47Å
528M82.1Confident71Confident10 Ų1052.5 Ų52.55%0.04932%0.315CS..EExtended strand (participates in β ladder)trans-75.1127.7168.3-164.3-173.472.200107.7M79 F87 D361 L362 L364 C532 V615M79-M528 HydrophobicContact CE-SD 4.2Å; F87-M528 HydrophobicContact CD2-CG 4.23Å; F87-M528 HydrophobicContact CD2-SD 3.84Å; F87-M528 HydrophobicContact CE2-CG 4.04Å; F87-M528 HydrophobicContact CE2-SD 3.31Å; F87-M528 WeakPolarHBondContact CE2-SD 3.29Å; F87-M528 HydrophobicContact CZ-SD 4.13Å; D361-M528 WeakPolarHBondContact CA-O 3.3Å; L362-M528 HydrophobicContact CB-CB 3.9Å; L362-M528 HydrophobicContact CB-CE 4.2Å; L362-M528 HydrophobicContact CD2-CE 4.19Å; L362-M528 PolarHBondContact N-O 2.85Å; L362-M528 PolarHBondContact O-N 2.9Å; L364-M528 HydrophobicContact CD1-CB 4.16Å; M528-C532 HydrophobicContact CE-CB 3.97Å; M528-C532 HydrophobicContact SD-CB 4.28Å; M528-V615 HydrophobicContact CE-CB 4.37Å; M528-V615 HydrophobicContact CE-CG1 3.95Å; M528-V615 HydrophobicContact SD-CG1 3.81Å
529P83.2Confident74.1Confident65 Ų6549.9 Ų49.942%0.42229%0.287SS..PPolyproline II helixtrans-65.9147.4-176.325.8-32.6000111.2C532P529-C532 PolarHBondContact O-SG 3.17Å
530A86.6Confident76.9Confident9 Ų943.9 Ų43.97%0.07425%0.25CC..THydrogen-bonded Turntrans-52.6151.4166.200000110.9F91 D361F91-A530 VanDerWaalsContact CE2-C 3.45Å; F91-A530 HydrophobicContact CE2-CB 3.89Å; F91-A530 WeakPolarHBondContact CE2-O 3.41Å; D361-A530 WeakPolarHBondContact OD1-CB 3.19Å; D361-A530 PolarHBondContact OD1-N 3.2Å
531G87.8Confident79.8Confident2 Ų239.8 Ų39.82%0.02122%0.221CC..THydrogen-bonded Turntrans87.13.1174.500000115.6I90 F91 L358 V533I90-G531 WeakPolarHBondContact CG2-O 3.32Å; I90-G531 PolarHBondContact N-O 2.93Å; F91-G531 VanDerWaalsContact CE2-CA 3.4Å; L358-G531 PolarHBondContact O-N 3.44Å; G531-V533 PolarHBondContact O-N 3.26Å
532C91.2Very high82.4Confident4 Ų431.3 Ų31.33%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-63.9122.2176.2-710000112.2F87 L88 M528 P529 V615F87-C532 HydrophobicContact CB-CB 4.19Å; F87-C532 HydrophobicContact CD2-CB 4.06Å; F87-C532 HydrophobicContact CG-CB 4.23Å; L88-C532 WeakPolarHBondContact O-CA 3.5Å; M528-C532 HydrophobicContact CE-CB 3.97Å; M528-C532 HydrophobicContact SD-CB 4.28Å; P529-C532 PolarHBondContact O-SG 3.17Å; C532-V615 HydrophobicContact CB-CB 3.96Å; C532-V615 HydrophobicContact CB-CG2 4.08Å; C532-V615 WeakPolarHBondContact O-CB 3.38Å; C532-V615 PolarHBondContact O-N 2.97Å
533V92.9Very high84.6Confident0 Ų029.1 Ų29.10%017%0.166CC..EExtended strand (participates in β ladder)trans-131.1157.8178.3-62.90000111.3L88 I90 L358 G531 L612 E613L88-V533 HydrophobicContact CB-CG2 3.92Å; L88-V533 PolarHBondContact N-O 2.97Å; L88-V533 PolarHBondContact O-N 3.12Å; I90-V533 HydrophobicContact CB-CG1 4.14Å; I90-V533 HydrophobicContact CB-CG2 4.48Å; L358-V533 HydrophobicContact CD1-CG1 3.87Å; L358-V533 HydrophobicContact CD2-CG1 4.47Å; G531-V533 PolarHBondContact O-N 3.26Å; V533-L612 HydrophobicContact CB-CB 4.37Å; V533-L612 HydrophobicContact CG2-CD1 4.11Å; V533-L612 HydrophobicContact CG2-CD2 4.17Å; V533-E613 CarbonylContact C-O 3.57Å; V533-E613 VanDerWaalsContact CA-O 3.23Å; V533-E613 WeakPolarHBondContact CA-O 3.32Å; V533-E613 WeakPolarHBondContact CB-O 3.41Å
534L92.5Very high86.5Confident4 Ų420.1 Ų20.12%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-129.4155.9173.2-80171.2000110.4H86 F87 F540 L543 L612 E613 V615H86-L534 HydrophobicContact CB-CD2 4.25Å; H86-L534 WeakPolarHBondContact O-CD2 3.22Å; F87-L534 HydrophobicContact CD1-CD1 4.12Å; F87-L534 HydrophobicContact CD1-CD2 4.09Å; F87-L534 HydrophobicContact CD1-CG 4.01Å; F87-L534 HydrophobicContact CE1-CD1 4.06Å; F87-L534 HydrophobicContact CE1-CG 4.46Å; L534-F540 HydrophobicContact CD1-CB 3.97Å; L534-F540 HydrophobicContact CD1-CD2 3.87Å; L534-F540 HydrophobicContact CD1-CG 4.44Å; L534-L543 HydrophobicContact CD1-CD1 4.2Å; L534-L543 HydrophobicContact CD2-CD1 4.25Å; L534-L612 CarbonylContact O-C 3.52Å; L534-L612 WeakPolarHBondContact O-CA 3.47Å; L534-E613 HydrophobicContact CB-CG 4.36Å; L534-E613 PolarHBondContact N-O 3.31Å; L534-E613 WeakPolarHBondContact O-CG 3.22Å; L534-E613 PolarHBondContact O-N 3.18Å; L534-V615 HydrophobicContact CB-CG2 4.4Å; L534-V615 HydrophobicContact CD1-CG2 3.96Å; L534-V615 HydrophobicContact CG-CG2 3.79Å
535P91.4Very high88.1Confident14 Ų1416.9 Ų16.99%0.09111%0.113CC..EExtended strand (participates in β ladder)trans-62.1140.5169.4-18.430.9000110.9L88 N539 G611L88-P535 HydrophobicContact CD1-CG 4.25Å; P535-N539 PolarHBondContact O-ND2 2.91Å; P535-G611 WeakPolarHBondContact CA-O 3.41Å
536V89.4Confident89.5Confident20 Ų2014.2 Ų14.212%0.1219%0.089CC..THydrogen-bonded Turntrans-65170.1177.2-63.10000112.7A110 N539 S607 Q609 G611 E613A110-V536 HydrophobicContact CB-CG1 3.73Å; V536-N539 PolarHBondContact O-ND2 3.4Å; V536-S607 PolarHBondContact O-OG 3.47Å; V536-Q609 HydrophobicContact CG2-CB 3.79Å; V536-G611 PolarHBondContact N-O 3.03Å; V536-G611 VanDerWaalsContact N-O 3.09Å; V536-E613 HydrophobicContact CG1-CB 4.08Å; V536-E613 HydrophobicContact CG1-CG 4.26Å
537G86.1Confident90.2Very high4 Ų414 Ų144%0.0418%0.084CC..THydrogen-bonded Turntrans106.323.6171.500000114.5Y579 Q609G537-Y579 VanDerWaalsContact O-CE2 3.24Å; G537-Y579 WeakPolarHBondContact O-CE2 3.46Å; G537-Y579 PolarHBondContact O-OH 3.46Å; G537-Q609 VanDerWaalsContact CA-OE1 3.23Å
538G89.7Confident91Very high1 Ų110.3 Ų10.31%0.016%0.058CC..THydrogen-bonded Turntrans87.815.4176.500000114.2E541 I542G538-E541 VanDerWaalsContact C-OE2 3.25Å; G538-E541 WeakPolarHBondContact CA-OE2 3.33Å; G538-E541 PolarHBondContact O-N 3.4Å; G538-I542 WeakPolarHBondContact O-CD1 3.49Å; G538-I542 VanDerWaalsContact O-CG1 3.24Å; G538-I542 WeakPolarHBondContact O-CG1 3.4Å; G538-I542 PolarHBondContact O-N 3.35Å
539N91.1Very high91.4Very high7 Ų711.7 Ų11.74%0.0377%0.066CC..Hα-helixtrans-67.9-41-175-66.6-40.7000111.5P535 V536 E541 I542 L543 L605P535-N539 PolarHBondContact O-ND2 2.91Å; V536-N539 PolarHBondContact O-ND2 3.4Å; N539-E541 VanDerWaalsContact C-N 3.3Å; N539-E541 PolarHBondContact O-N 3.41Å; N539-I542 PolarHBondContact O-N 3.22Å; N539-L543 WeakPolarHBondContact O-CB 3.4Å; N539-L543 WeakPolarHBondContact O-CG 3.34Å; N539-L543 PolarHBondContact O-N 3.36Å; N539-L605 HydrophobicContact CB-CD2 4.03Å; N539-L605 VanDerWaalsContact OD1-CD2 3.24Å; N539-L605 WeakPolarHBondContact OD1-CD2 3.21Å
540F93.6Very high91.7Very high4 Ų410.8 Ų10.82%0.0186%0.058CC..Hα-helixtrans-55.5-47.9174.4178.5-92000111.3M79 L83 L534 L543 L544 V615 K618M79-F540 HydrophobicContact CE-CE2 4.17Å; M79-F540 HydrophobicContact SD-CE2 4.07Å; M79-F540 HydrophobicContact SD-CZ 4.21Å; L83-F540 HydrophobicContact CD2-CD2 4.33Å; L83-F540 HydrophobicContact CD2-CE2 3.94Å; L83-F540 HydrophobicContact CD2-CZ 4.49Å; L534-F540 HydrophobicContact CD1-CB 3.97Å; L534-F540 HydrophobicContact CD1-CD2 3.87Å; L534-F540 HydrophobicContact CD1-CG 4.44Å; F540-L543 PolarHBondContact O-N 3.05Å; F540-L544 HydrophobicContact CE1-CD2 3.93Å; F540-L544 HydrophobicContact CZ-CD2 4.14Å; F540-L544 WeakPolarHBondContact O-CB 3.48Å; F540-L544 PolarHBondContact O-N 2.95Å; F540-V615 HydrophobicContact CE2-CG1 4.42Å; F540-K618 HydrophobicContact CB-CG 4.28Å; F540-K618 HydrophobicContact CD1-CB 3.73Å; F540-K618 HydrophobicContact CD1-CD 4.19Å; F540-K618 HydrophobicContact CD1-CG 4.08Å; F540-K618 HydrophobicContact CD2-CB 3.91Å; F540-K618 HydrophobicContact CD2-CG 4.28Å; F540-K618 HydrophobicContact CE1-CB 3.72Å; F540-K618 HydrophobicContact CE2-CB 3.89Å; F540-K618 HydrophobicContact CG-CB 3.84Å; F540-K618 HydrophobicContact CG-CD 4.37Å; F540-K618 HydrophobicContact CG-CG 3.94Å; F540-K618 HydrophobicContact CZ-CB 3.79Å
541E95.5Very high91.8Very high3 Ų313.3 Ų13.31%0.0147%0.065CC..Hα-helixtrans-67.8-38-177.7-64.778.9-174.800112.3G538 N539 H545 L571 I574 P575 K618G538-E541 VanDerWaalsContact C-OE2 3.25Å; G538-E541 WeakPolarHBondContact CA-OE2 3.33Å; G538-E541 PolarHBondContact O-N 3.4Å; N539-E541 VanDerWaalsContact C-N 3.3Å; N539-E541 PolarHBondContact O-N 3.41Å; E541-H545 WeakPolarHBondContact O-CB 3.17Å; E541-H545 PolarHBondContact O-N 3.47Å; E541-L571 HydrophobicContact CB-CB 4.3Å; E541-L571 HydrophobicContact CG-CD2 4.26Å; E541-I574 HydrophobicContact CG-CB 4.1Å; E541-I574 HydrophobicContact CG-CD1 3.6Å; E541-I574 HydrophobicContact CG-CG1 4.47Å; E541-I574 HydrophobicContact CG-CG2 4.3Å; E541-P575 HydrophobicContact CB-CG 4.5Å; E541-K618 IonicContact OE1-NZ 3.65Å; E541-K618 PolarHBondContact OE1-NZ 3.25Å; E541-K618 IonicContact OE2-NZ 3.94Å
542I94Very high91.7Very high1 Ų113.6 Ų13.61%0.0057%0.068CC..Hα-helixtrans-68-43.8175.9-67.7166.3000111G538 N539 H545 Y546 L572 P575 Y592 A595G538-I542 WeakPolarHBondContact O-CD1 3.49Å; G538-I542 VanDerWaalsContact O-CG1 3.24Å; G538-I542 WeakPolarHBondContact O-CG1 3.4Å; G538-I542 PolarHBondContact O-N 3.35Å; N539-I542 PolarHBondContact O-N 3.22Å; I542-H545 PolarHBondContact O-N 2.94Å; I542-Y546 WeakPolarHBondContact O-CB 3.29Å; I542-Y546 PolarHBondContact O-N 3.19Å; I542-L572 HydrophobicContact CG1-CD2 4.22Å; I542-P575 HydrophobicContact CG1-CG 4.28Å; I542-Y592 HydrophobicContact CG1-CD2 4.37Å; I542-Y592 HydrophobicContact CG2-CD2 4.24Å; I542-Y592 HydrophobicContact CG2-CE2 4.45Å; I542-A595 HydrophobicContact CG2-CB 3.91Å
543L93.9Very high91.5Very high3 Ų321.3 Ų21.32%0.01610%0.101CC..Hα-helixtrans-60.2-52.5177-76.5169000110.9L83 H86 L534 N539 F540 H545 Y546 Y547 L599 L605L83-L543 HydrophobicContact CG-CB 4.49Å; H86-L543 HydrophobicContact CB-CD1 3.98Å; L534-L543 HydrophobicContact CD1-CD1 4.2Å; L534-L543 HydrophobicContact CD2-CD1 4.25Å; N539-L543 WeakPolarHBondContact O-CB 3.4Å; N539-L543 WeakPolarHBondContact O-CG 3.34Å; N539-L543 PolarHBondContact O-N 3.36Å; F540-L543 PolarHBondContact O-N 3.05Å; L543-H545 VanDerWaalsContact C-N 3.33Å; L543-H545 PolarHBondContact O-N 2.7Å; L543-Y546 PolarHBondContact O-N 2.9Å; L543-Y547 HydrophobicContact CD2-CE2 4.22Å; L543-Y547 WeakPolarHBondContact O-CD2 3.48Å; L543-Y547 PolarHBondContact O-N 3.35Å; L543-L599 HydrophobicContact CD2-CD1 4.08Å; L543-L599 HydrophobicContact CD2-CD2 3.52Å; L543-L599 HydrophobicContact CD2-CG 4.38Å; L543-L605 HydrophobicContact CD2-CD1 4.14Å
544L94.9Very high91Very high0 Ų028 Ų280%013%0.13CC..Hα-helixtrans-63.5-41-178.8-17558.1000111.3L75 I78 L83 F540 Y546 Y547 L548 L571 L622L75-L544 HydrophobicContact CD1-CD1 4.29Å; L75-L544 HydrophobicContact CD1-CD2 4.43Å; I78-L544 HydrophobicContact CG2-CD1 3.73Å; L83-L544 HydrophobicContact CD1-CD1 4.28Å; L83-L544 HydrophobicContact CD2-CB 4.16Å; L83-L544 HydrophobicContact CD2-CD1 4.22Å; F540-L544 HydrophobicContact CE1-CD2 3.93Å; F540-L544 HydrophobicContact CZ-CD2 4.14Å; F540-L544 WeakPolarHBondContact O-CB 3.48Å; F540-L544 PolarHBondContact O-N 2.95Å; L544-Y546 PolarHBondContact O-N 3.34Å; L544-Y547 PolarHBondContact O-N 2.95Å; L544-L548 HydrophobicContact CD1-CD1 3.97Å; L544-L548 HydrophobicContact CD1-CG 3.99Å; L544-L548 HydrophobicContact CD2-CD1 4.45Å; L544-L548 HydrophobicContact CG-CD1 3.73Å; L544-L548 HydrophobicContact CG-CG 4.24Å; L544-L548 VanDerWaalsContact O-CB 3.25Å; L544-L548 WeakPolarHBondContact O-CB 3.13Å; L544-L548 WeakPolarHBondContact O-CG 3.18Å; L544-L548 PolarHBondContact O-N 3.35Å; L544-L571 HydrophobicContact CB-CD1 3.95Å; L544-L571 HydrophobicContact CD2-CD1 3.55Å; L544-L571 HydrophobicContact CD2-CD2 4.29Å; L544-L571 HydrophobicContact CG-CD1 3.59Å; L544-L622 HydrophobicContact CD2-CD2 3.54Å
545H95.1Very high90Very high4 Ų429.5 Ų29.52%0.01914%0.14CC..Hα-helixtrans-55.4-49.2172.2168.583.6000112.3E541 I542 L543 L548 L549 A568 L572 Y592E541-H545 WeakPolarHBondContact O-CB 3.17Å; E541-H545 PolarHBondContact O-N 3.47Å; I542-H545 PolarHBondContact O-N 2.94Å; L543-H545 VanDerWaalsContact C-N 3.33Å; L543-H545 PolarHBondContact O-N 2.7Å; H545-L548 PolarHBondContact O-N 3.44Å; H545-L549 WeakPolarHBondContact CE1-CD1 3.2Å; H545-L549 VanDerWaalsContact NE2-CD1 3.29Å; H545-L549 WeakPolarHBondContact NE2-CD1 3.3Å; H545-L549 WeakPolarHBondContact O-CG 3.43Å; H545-L549 PolarHBondContact O-N 2.95Å; H545-A568 VanDerWaalsContact ND1-C 3.26Å; H545-A568 PolarHBondContact ND1-O 3.13Å; H545-L572 HydrophobicContact CB-CD2 3.98Å; H545-L572 HydrophobicContact CB-CG 4.23Å; H545-L572 VanDerWaalsContact CE1-CD1 3.41Å; H545-L572 WeakPolarHBondContact CE1-CD1 3.19Å; H545-Y592 AromaticContact CD2-CE2 3.85Å; H545-Y592 PolarHBondContact CD2-OH 3.45Å; H545-Y592 AromaticContact NE2-CZ 3.85Å; H545-Y592 PolarHBondContact NE2-OH 3.16Å
546Y93.8Very high88.7Confident41 Ų4135.6 Ų35.616%0.16117%0.168CC..Hα-helixtrans-61-47.9-179175.8-100.4000112.1I542 L543 L544 L549 N550 V596 L599 Q600I542-Y546 WeakPolarHBondContact O-CB 3.29Å; I542-Y546 PolarHBondContact O-N 3.19Å; L543-Y546 PolarHBondContact O-N 2.9Å; L544-Y546 PolarHBondContact O-N 3.34Å; Y546-L549 PolarHBondContact O-N 2.86Å; Y546-N550 WeakPolarHBondContact CE1-ND2 3.45Å; Y546-N550 PolarHBondContact O-N 3.02Å; Y546-N550 VanDerWaalsContact O-N 3.1Å; Y546-N550 PolarHBondContact O-ND2 2.91Å; Y546-V596 HydrophobicContact CE2-CG1 4.44Å; Y546-L599 HydrophobicContact CD1-CB 4.3Å; Y546-L599 HydrophobicContact CD1-CD1 3.94Å; Y546-L599 HydrophobicContact CD2-CD1 4.37Å; Y546-L599 HydrophobicContact CE1-CB 4.03Å; Y546-L599 HydrophobicContact CE2-CB 4.47Å; Y546-L599 HydrophobicContact CG-CD1 3.84Å; Y546-Q600 HydrophobicContact CE2-CG 4.46Å
547Y92.8Very high87.4Confident20 Ų2044.6 Ų44.68%0.07821%0.208CC..Hα-helixtrans-70.4-36.4-178.9-70.7-60.2000112.9Y82 L83 R85 H86 L543 L544 N550 Y551Y82-Y547 HydrophobicContact CD1-CD1 4.38Å; Y82-Y547 HydrophobicContact CD1-CE1 4.47Å; Y82-Y547 AromaticContact CG-CD1 3.98Å; Y82-Y547 HydrophobicContact CG-CD1 3.98Å; Y82-Y547 HydrophobicContact CG-CE1 4.38Å; Y82-Y547 HydrophobicContact CG-CG 4.35Å; L83-Y547 HydrophobicContact CD1-CD2 3.52Å; L83-Y547 HydrophobicContact CD1-CE2 4.27Å; L83-Y547 HydrophobicContact CD1-CG 4.22Å; L83-Y547 HydrophobicContact CG-CD2 4.34Å; R85-Y547 PolarHBondContact NE-OH 2.75Å; R85-Y547 PolarHBondContact NH2-OH 3.23Å; H86-Y547 AromaticContact NE2-CE2 3.73Å; H86-Y547 AromaticContact NE2-CZ 3.71Å; H86-Y547 PolarHBondContact NE2-OH 3.06Å; L543-Y547 HydrophobicContact CD2-CE2 4.22Å; L543-Y547 WeakPolarHBondContact O-CD2 3.48Å; L543-Y547 PolarHBondContact O-N 3.35Å; L544-Y547 PolarHBondContact O-N 2.95Å; Y547-N550 PolarHBondContact O-N 3.48Å; Y547-Y551 WeakPolarHBondContact O-CB 3.25Å; Y547-Y551 PolarHBondContact O-N 3.36Å
548L92.9Very high86.7Confident0 Ų046.5 Ų46.50%022%0.221CC..Hα-helixtrans-64.1-40.9173.9-76.7171.5000112.6F70 I78 L544 H545 N550 Y551 A552 I567 A568 L571F70-L548 HydrophobicContact CE2-CD2 3.41Å; F70-L548 VanDerWaalsContact CE2-CD2 3.41Å; F70-L548 HydrophobicContact CZ-CD1 4.26Å; F70-L548 HydrophobicContact CZ-CD2 3.54Å; I78-L548 HydrophobicContact CD1-CD2 3.36Å; I78-L548 HydrophobicContact CD1-CG 4.11Å; L544-L548 HydrophobicContact CD1-CD1 3.97Å; L544-L548 HydrophobicContact CD1-CG 3.99Å; L544-L548 HydrophobicContact CD2-CD1 4.45Å; L544-L548 HydrophobicContact CG-CD1 3.73Å; L544-L548 HydrophobicContact CG-CG 4.24Å; L544-L548 VanDerWaalsContact O-CB 3.25Å; L544-L548 WeakPolarHBondContact O-CB 3.13Å; L544-L548 WeakPolarHBondContact O-CG 3.18Å; L544-L548 PolarHBondContact O-N 3.35Å; H545-L548 PolarHBondContact O-N 3.44Å; L548-N550 VanDerWaalsContact C-N 3.33Å; L548-Y551 PolarHBondContact O-N 2.92Å; L548-A552 VanDerWaalsContact O-CB 3.31Å; L548-A552 WeakPolarHBondContact O-CB 3.26Å; L548-A552 PolarHBondContact O-N 3.4Å; L548-I567 HydrophobicContact CD1-CG2 3.87Å; L548-A568 HydrophobicContact CB-CB 3.77Å; L548-A568 HydrophobicContact CD1-CB 4.23Å; L548-L571 HydrophobicContact CD1-CD1 3.86Å
549L91.1Very high85.9Confident40 Ų4052 Ų5221%0.20925%0.246CC..Hα-helixtrans-65.3-38.5175.1-75.1-173.3000112H545 Y546 A552 K553 M565 A568H545-L549 WeakPolarHBondContact CE1-CD1 3.2Å; H545-L549 VanDerWaalsContact NE2-CD1 3.29Å; H545-L549 WeakPolarHBondContact NE2-CD1 3.3Å; H545-L549 WeakPolarHBondContact O-CG 3.43Å; H545-L549 PolarHBondContact O-N 2.95Å; Y546-L549 PolarHBondContact O-N 2.86Å; L549-A552 PolarHBondContact O-N 3.42Å; L549-K553 VanDerWaalsContact O-CG 3.28Å; L549-K553 WeakPolarHBondContact O-CG 3.39Å; L549-K553 PolarHBondContact O-N 3.22Å; L549-M565 HydrophobicContact CD2-CG 4.43Å; L549-A568 HydrophobicContact CD2-CB 4.03Å; L549-A568 HydrophobicContact CG-CB 4.12Å
550N89.1Confident85.3Confident46 Ų4654.2 Ų54.225%0.24626%0.256CS..Hα-helixtrans-69.3-35.6176.5-72.6-21.8000112.3Y546 Y547 L548 K554Y546-N550 WeakPolarHBondContact CE1-ND2 3.45Å; Y546-N550 PolarHBondContact O-N 3.02Å; Y546-N550 VanDerWaalsContact O-N 3.1Å; Y546-N550 PolarHBondContact O-ND2 2.91Å; Y547-N550 PolarHBondContact O-N 3.48Å; L548-N550 VanDerWaalsContact C-N 3.33Å; N550-K554 WeakPolarHBondContact O-CG 3.24Å; N550-K554 PolarHBondContact O-N 2.88Å
551Y88.1Confident84.8Confident61 Ų6154.7 Ų54.724%0.23926%0.26CS..Hα-helixtrans-62.4-52.2171177.4-95.1000110.8I74 I78 Y547 L548 K553 K554 C555I74-Y551 HydrophobicContact CD1-CE1 3.82Å; I74-Y551 HydrophobicContact CG1-CE1 4.18Å; I74-Y551 HydrophobicContact CG2-CD1 4Å; I74-Y551 HydrophobicContact CG2-CE1 3.71Å; I74-Y551 HydrophobicContact CG2-CE2 4.41Å; I74-Y551 HydrophobicContact CG2-CG 4.49Å; I78-Y551 HydrophobicContact CD1-CG 4.25Å; Y547-Y551 WeakPolarHBondContact O-CB 3.25Å; Y547-Y551 PolarHBondContact O-N 3.36Å; L548-Y551 PolarHBondContact O-N 2.92Å; Y551-K553 PolarHBondContact O-N 3.3Å; Y551-K554 WeakPolarHBondContact O-CB 3.41Å; Y551-K554 PolarHBondContact O-N 3.1Å; Y551-C555 VanDerWaalsContact CE1-SG 3.5Å; Y551-C555 PolarHBondContact O-N 3.04Å; Y551-C555 PolarHBondContact O-SG 3.36Å
552A87.4Confident84.3Confident9 Ų957.4 Ų57.47%0.07427%0.273CS..Hα-helixtrans-57.2-34.7179.100000113.2L548 L549 K554 T561 M565L548-A552 VanDerWaalsContact O-CB 3.31Å; L548-A552 WeakPolarHBondContact O-CB 3.26Å; L548-A552 PolarHBondContact O-N 3.4Å; L549-A552 PolarHBondContact O-N 3.42Å; A552-K554 VanDerWaalsContact C-N 3.32Å; A552-K554 PolarHBondContact O-N 2.86Å; A552-T561 HydrophobicContact CB-CG2 3.89Å; A552-T561 VanDerWaalsContact O-CG2 3.29Å; A552-T561 WeakPolarHBondContact O-CG2 3.48Å; A552-M565 HydrophobicContact CB-CG 3.9Å
553K85.6Confident84.1Confident165 Ų16557.5 Ų57.572%0.71727%0.274SS*.Hα-helixtrans-69.6-26.3175.3-74.6171.9-176.51780114L549 Y551L549-K553 VanDerWaalsContact O-CG 3.28Å; L549-K553 WeakPolarHBondContact O-CG 3.39Å; L549-K553 PolarHBondContact O-N 3.22Å; Y551-K553 PolarHBondContact O-N 3.3Å
554K81.8Confident83.9Confident141 Ų14157.4 Ų57.461%0.61327%0.273SS*.Hα-helixtrans-86.8-23.5-179.2-70.7177.1179.4-173.70112.2N550 Y551 A552N550-K554 WeakPolarHBondContact O-CG 3.24Å; N550-K554 PolarHBondContact O-N 2.88Å; Y551-K554 WeakPolarHBondContact O-CB 3.41Å; Y551-K554 PolarHBondContact O-N 3.1Å; A552-K554 VanDerWaalsContact C-N 3.32Å; A552-K554 PolarHBondContact O-N 2.86Å
555C72.3Confident83.7Confident35 Ų3561.6 Ų61.624%0.23629%0.294CS..SBendtrans-81.6139.3176.3-63.30000110.9Y551 T561Y551-C555 VanDerWaalsContact CE1-SG 3.5Å; Y551-C555 PolarHBondContact O-N 3.04Å; Y551-C555 PolarHBondContact O-SG 3.36Å; C555-T561 VanDerWaalsContact CB-OG1 3.26Å; C555-T561 WeakPolarHBondContact CB-OG1 3.45Å
556H65.4Low83.5Confident143 Ų14362.2 Ų62.266%0.66230%0.297SS*.  trans-63.4156.8167.1-64.7-63.2000110S558 T561H556-S558 VanDerWaalsContact C-N 3.29Å; H556-S558 WeakPolarHBondContact O-CB 3.45Å; H556-S558 PolarHBondContact O-N 3.47Å; H556-S558 PolarHBondContact O-OG 2.86Å; H556-T561 PolarHBondContact O-OG1 3.02Å
557Q61Low83.6Confident209 Ų20960.3 Ų60.398%0.97729%0.29SS*.SBendtrans-52.683.5-175.4-76.9175.7-24.600112.9
558S71.3Confident83.6Confident44 Ų4459.3 Ų59.331%0.30829%0.286SS..  trans-115.2160.4-179.669.70000110.4H556 E560 T561 M562H556-S558 VanDerWaalsContact C-N 3.29Å; H556-S558 WeakPolarHBondContact O-CB 3.45Å; H556-S558 PolarHBondContact O-N 3.47Å; H556-S558 PolarHBondContact O-OG 2.86Å; S558-E560 PolarHBondContact O-N 3.44Å; S558-T561 VanDerWaalsContact O-CB 3.24Å; S558-T561 WeakPolarHBondContact O-CB 3.39Å; S558-T561 PolarHBondContact O-N 3.43Å; S558-T561 PolarHBondContact OG-N 3.4Å; S558-T561 PolarHBondContact OG-OG1 3.44Å; S558-M562 PolarHBondContact O-N 3.32Å
559E73.9Confident83.7Confident115 Ų11563.5 Ų63.554%0.53731%0.308SS..Hα-helixtrans-59.8-32174.6-61.2179.8168.500111.7A66 T561 M562 V563A66-E559 HydrophobicContact CB-CB 4.48Å; E559-T561 VanDerWaalsContact C-N 3.33Å; E559-T561 PolarHBondContact O-N 3.46Å; E559-M562 WeakPolarHBondContact O-CB 3.38Å; E559-M562 PolarHBondContact O-N 3.26Å; E559-V563 WeakPolarHBondContact O-CG2 3.44Å; E559-V563 PolarHBondContact O-N 3.08Å
560E77.1Confident83.9Confident54 Ų5461.8 Ų61.825%0.25230%0.3SS..Hα-helixtrans-64.2-37.2173.8-62.4172.8175.800112.3I74 S558 M562 S564I74-E560 HydrophobicContact CD1-CB 3.94Å; I74-E560 HydrophobicContact CD1-CG 4.26Å; S558-E560 PolarHBondContact O-N 3.44Å; E560-M562 VanDerWaalsContact C-N 3.34Å; E560-S564 WeakPolarHBondContact O-CB 3.1Å; E560-S564 PolarHBondContact O-N 3.43Å; E560-S564 PolarHBondContact O-OG 3.4Å
561T83.8Confident84.2Confident15 Ų1559.8 Ų59.89%0.09229%0.289CS..Hα-helixtrans-63.7-44.6175.3-58.60000110.2A552 C555 H556 S558 E559 S564 M565A552-T561 HydrophobicContact CB-CG2 3.89Å; A552-T561 VanDerWaalsContact O-CG2 3.29Å; A552-T561 WeakPolarHBondContact O-CG2 3.48Å; C555-T561 VanDerWaalsContact CB-OG1 3.26Å; C555-T561 WeakPolarHBondContact CB-OG1 3.45Å; H556-T561 PolarHBondContact O-OG1 3.02Å; S558-T561 VanDerWaalsContact O-CB 3.24Å; S558-T561 WeakPolarHBondContact O-CB 3.39Å; S558-T561 PolarHBondContact O-N 3.43Å; S558-T561 PolarHBondContact OG-N 3.4Å; S558-T561 PolarHBondContact OG-OG1 3.44Å; E559-T561 VanDerWaalsContact C-N 3.33Å; E559-T561 PolarHBondContact O-N 3.46Å; T561-S564 PolarHBondContact O-N 3.12Å; T561-M565 HydrophobicContact CG2-SD 4.46Å; T561-M565 WeakPolarHBondContact O-CG 3.38Å; T561-M565 PolarHBondContact O-N 3.07Å
562M85.5Confident84.5Confident59 Ų5957.4 Ų57.429%0.29128%0.281SS..Hα-helixtrans-61.9-50.3176.4178.3-175.1-18000111.8I34 S558 E559 E560 S564 M565 I566I34-M562 HydrophobicContact CB-CE 4.23Å; I34-M562 HydrophobicContact CD1-CE 3.65Å; I34-M562 HydrophobicContact CG1-CE 4.17Å; I34-M562 HydrophobicContact CG2-CE 3.23Å; S558-M562 PolarHBondContact O-N 3.32Å; E559-M562 WeakPolarHBondContact O-CB 3.38Å; E559-M562 PolarHBondContact O-N 3.26Å; E560-M562 VanDerWaalsContact C-N 3.34Å; M562-S564 VanDerWaalsContact C-N 3.34Å; M562-S564 PolarHBondContact O-N 2.95Å; M562-M565 PolarHBondContact O-N 2.93Å; M562-I566 HydrophobicContact CE-CD1 4.44Å; M562-I566 HydrophobicContact CG-CD1 4.1Å; M562-I566 VanDerWaalsContact O-CG1 3.28Å; M562-I566 WeakPolarHBondContact O-CG1 3.35Å; M562-I566 PolarHBondContact O-N 3.05Å
563V88.4Confident84.8Confident4 Ų457 Ų572%0.02428%0.278CS..Hα-helixtrans-60.2-44176.8169.50000111.2I63 A66 L67 F70 E559 M565 I566 I567I63-V563 HydrophobicContact CG2-CG2 4.41Å; A66-V563 HydrophobicContact CB-CG2 3.79Å; L67-V563 HydrophobicContact CD2-CG1 3.58Å; L67-V563 HydrophobicContact CG-CG1 4.17Å; F70-V563 HydrophobicContact CB-CG1 4.16Å; F70-V563 HydrophobicContact CG-CG1 4.33Å; E559-V563 WeakPolarHBondContact O-CG2 3.44Å; E559-V563 PolarHBondContact O-N 3.08Å; V563-M565 VanDerWaalsContact C-N 3.32Å; V563-M565 PolarHBondContact O-N 3.41Å; V563-I566 PolarHBondContact O-N 3.49Å; V563-I567 HydrophobicContact CG1-CD1 3.67Å; V563-I567 HydrophobicContact CG1-CG1 4.32Å; V563-I567 WeakPolarHBondContact O-CG1 3.29Å; V563-I567 PolarHBondContact O-N 3.32Å
564S90Very high85.1Confident0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-59.7-41.6176.9-62.30000111.9E560 T561 M562 A568E560-S564 WeakPolarHBondContact O-CB 3.1Å; E560-S564 PolarHBondContact O-N 3.43Å; E560-S564 PolarHBondContact O-OG 3.4Å; T561-S564 PolarHBondContact O-N 3.12Å; M562-S564 VanDerWaalsContact C-N 3.34Å; M562-S564 PolarHBondContact O-N 2.95Å; S564-A568 WeakPolarHBondContact O-CB 3.49Å; S564-A568 PolarHBondContact O-N 3.28Å
565M90.4Very high85.6Confident88 Ų8842.9 Ų42.943%0.43322%0.216SC..Hα-helixtrans-65.9-41.1175.4-75.4178.466.500112.7L549 A552 T561 M562 V563 A568 N569L549-M565 HydrophobicContact CD2-CG 4.43Å; A552-M565 HydrophobicContact CB-CG 3.9Å; T561-M565 HydrophobicContact CG2-SD 4.46Å; T561-M565 WeakPolarHBondContact O-CG 3.38Å; T561-M565 PolarHBondContact O-N 3.07Å; M562-M565 PolarHBondContact O-N 2.93Å; V563-M565 VanDerWaalsContact C-N 3.32Å; V563-M565 PolarHBondContact O-N 3.41Å; M565-A568 PolarHBondContact O-N 2.91Å; M565-N569 WeakPolarHBondContact O-CB 3.38Å; M565-N569 VanDerWaalsContact O-CG 3.24Å; M565-N569 PolarHBondContact O-N 2.84Å; M565-N569 PolarHBondContact O-ND2 3.15Å
566I92.2Very high86.6Confident18 Ų1846.3 Ų46.39%0.09223%0.227CC..Hα-helixtrans-62.4-49.2177.5-66.1162.2000110.1L27 L31 I34 M562 V563 N569 A570L27-I566 HydrophobicContact CD2-CG2 4.21Å; L31-I566 HydrophobicContact CD2-CD1 3.79Å; L31-I566 HydrophobicContact CD2-CG2 4.48Å; L31-I566 HydrophobicContact CG-CG2 4.37Å; I34-I566 HydrophobicContact CD1-CD1 3.22Å; I34-I566 HydrophobicContact CD1-CG1 3.51Å; M562-I566 HydrophobicContact CE-CD1 4.44Å; M562-I566 HydrophobicContact CG-CD1 4.1Å; M562-I566 VanDerWaalsContact O-CG1 3.28Å; M562-I566 WeakPolarHBondContact O-CG1 3.35Å; M562-I566 PolarHBondContact O-N 3.05Å; V563-I566 PolarHBondContact O-N 3.49Å; I566-N569 PolarHBondContact O-N 2.88Å; I566-A570 VanDerWaalsContact O-CB 3.29Å; I566-A570 WeakPolarHBondContact O-CB 3.43Å; I566-A570 PolarHBondContact O-N 2.98Å
567I94.4Very high87.8Confident0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-60.9-49.5178.5-67172.5000110F23 L27 L67 F70 L548 V563 N569 A570 L571 L622 L626F23-I567 HydrophobicContact CZ-CG2 4.3Å; L27-I567 HydrophobicContact CD2-CB 4.48Å; L27-I567 HydrophobicContact CD2-CG1 3.97Å; L67-I567 HydrophobicContact CD2-CD1 4.03Å; F70-I567 HydrophobicContact CD1-CD1 3.43Å; F70-I567 VanDerWaalsContact CD1-CD1 3.43Å; F70-I567 HydrophobicContact CD2-CD1 4.19Å; F70-I567 HydrophobicContact CE1-CD1 3.4Å; F70-I567 HydrophobicContact CE1-CG2 4.38Å; F70-I567 HydrophobicContact CE2-CD1 4.16Å; F70-I567 HydrophobicContact CG-CD1 3.85Å; F70-I567 HydrophobicContact CZ-CD1 3.78Å; F70-I567 HydrophobicContact CZ-CG2 4.25Å; L548-I567 HydrophobicContact CD1-CG2 3.87Å; V563-I567 HydrophobicContact CG1-CD1 3.67Å; V563-I567 HydrophobicContact CG1-CG1 4.32Å; V563-I567 WeakPolarHBondContact O-CG1 3.29Å; V563-I567 PolarHBondContact O-N 3.32Å; I567-N569 VanDerWaalsContact C-N 3.32Å; I567-N569 PolarHBondContact O-N 3.05Å; I567-A570 PolarHBondContact O-N 2.93Å; I567-L571 HydrophobicContact CG2-CD1 4.09Å; I567-L571 HydrophobicContact CG2-CG 4.42Å; I567-L571 VanDerWaalsContact O-CG 3.31Å; I567-L571 WeakPolarHBondContact O-CG 3.31Å; I567-L571 PolarHBondContact O-N 3Å; I567-L622 HydrophobicContact CG2-CD1 4.42Å; I567-L626 HydrophobicContact CD1-CD2 3.79Å; I567-L626 HydrophobicContact CG1-CD2 4.17Å
568A94.3Very high89.1Confident0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-54-49177.600000111.5H545 L548 L549 S564 M565 L571H545-A568 VanDerWaalsContact ND1-C 3.26Å; H545-A568 PolarHBondContact ND1-O 3.13Å; L548-A568 HydrophobicContact CB-CB 3.77Å; L548-A568 HydrophobicContact CD1-CB 4.23Å; L549-A568 HydrophobicContact CD2-CB 4.03Å; L549-A568 HydrophobicContact CG-CB 4.12Å; S564-A568 WeakPolarHBondContact O-CB 3.49Å; S564-A568 PolarHBondContact O-N 3.28Å; M565-A568 PolarHBondContact O-N 2.91Å; A568-L571 PolarHBondContact O-N 3.19Å
569N93.8Very high89.9Confident87 Ų8735.2 Ų35.247%0.46518%0.177SC..Hα-helixtrans-68.1-37.1-178.8-72.3-33.7000112.6M565 I566 I567 L572M565-N569 WeakPolarHBondContact O-CB 3.38Å; M565-N569 VanDerWaalsContact O-CG 3.24Å; M565-N569 PolarHBondContact O-N 2.84Å; M565-N569 PolarHBondContact O-ND2 3.15Å; I566-N569 PolarHBondContact O-N 2.88Å; I567-N569 VanDerWaalsContact C-N 3.32Å; I567-N569 PolarHBondContact O-N 3.05Å; N569-L572 PolarHBondContact O-N 2.95Å
570A95.8Very high90.5Very high4 Ų438.5 Ų38.53%0.03319%0.19CC..Hα-helixtrans-67.3-35.717800000112.6F23 H26 L27 I566 I567 L572 G573F23-A570 HydrophobicContact CD2-CB 4.1Å; F23-A570 HydrophobicContact CE2-CB 3.76Å; H26-A570 HydrophobicContact CB-CB 3.88Å; L27-A570 HydrophobicContact CB-CB 4.48Å; L27-A570 HydrophobicContact CD2-CB 3.56Å; L27-A570 HydrophobicContact CG-CB 3.77Å; I566-A570 VanDerWaalsContact O-CB 3.29Å; I566-A570 WeakPolarHBondContact O-CB 3.43Å; I566-A570 PolarHBondContact O-N 2.98Å; I567-A570 PolarHBondContact O-N 2.93Å; A570-L572 VanDerWaalsContact C-N 3.26Å; A570-L572 PolarHBondContact O-N 3.24Å; A570-G573 PolarHBondContact O-N 3.39Å
571L95.6Very high90.7Very high4 Ų441.1 Ų41.12%0.02121%0.214CC..Hα-helixtrans-56.8-38.4177.5-76.4165.1000112.3F23 E541 L544 L548 I567 A568 G573 I574 P575F23-L571 HydrophobicContact CD2-CD2 4.41Å; F23-L571 HydrophobicContact CE1-CD2 4.27Å; F23-L571 HydrophobicContact CE2-CD2 3.76Å; F23-L571 HydrophobicContact CE2-CG 3.82Å; F23-L571 HydrophobicContact CZ-CD2 3.69Å; F23-L571 HydrophobicContact CZ-CG 4Å; E541-L571 HydrophobicContact CB-CB 4.3Å; E541-L571 HydrophobicContact CG-CD2 4.26Å; L544-L571 HydrophobicContact CB-CD1 3.95Å; L544-L571 HydrophobicContact CD2-CD1 3.55Å; L544-L571 HydrophobicContact CD2-CD2 4.29Å; L544-L571 HydrophobicContact CG-CD1 3.59Å; L548-L571 HydrophobicContact CD1-CD1 3.86Å; I567-L571 HydrophobicContact CG2-CD1 4.09Å; I567-L571 HydrophobicContact CG2-CG 4.42Å; I567-L571 VanDerWaalsContact O-CG 3.31Å; I567-L571 WeakPolarHBondContact O-CG 3.31Å; I567-L571 PolarHBondContact O-N 3Å; A568-L571 PolarHBondContact O-N 3.19Å; L571-G573 PolarHBondContact O-N 3.43Å; L571-G573 VanDerWaalsContact O-N 3.12Å; L571-I574 PolarHBondContact O-N 3.46Å; L571-P575 WeakPolarHBondContact O-CD 3.23Å
572L94.7Very high90.7Very high12 Ų1244 Ų446%0.06323%0.225CC..THydrogen-bonded Turntrans-65.4-13.7176.7-66.3-173.5000114I542 H545 N569 A570 I574 P575 K576 F588 Y592I542-L572 HydrophobicContact CG1-CD2 4.22Å; H545-L572 HydrophobicContact CB-CD2 3.98Å; H545-L572 HydrophobicContact CB-CG 4.23Å; H545-L572 VanDerWaalsContact CE1-CD1 3.41Å; H545-L572 WeakPolarHBondContact CE1-CD1 3.19Å; N569-L572 PolarHBondContact O-N 2.95Å; A570-L572 VanDerWaalsContact C-N 3.26Å; A570-L572 PolarHBondContact O-N 3.24Å; L572-I574 VanDerWaalsContact C-N 3.25Å; L572-I574 PolarHBondContact O-N 2.85Å; L572-P575 HydrophobicContact CD2-CG 4.32Å; L572-P575 WeakPolarHBondContact O-CD 3.43Å; L572-P575 WeakPolarHBondContact O-CG 3.29Å; L572-K576 WeakPolarHBondContact O-CB 3.4Å; L572-K576 WeakPolarHBondContact O-CD 3.31Å; L572-K576 WeakPolarHBondContact O-CG 3.28Å; L572-K576 PolarHBondContact O-N 3.04Å; L572-K576 VanDerWaalsContact O-N 3.11Å; L572-F588 HydrophobicContact CB-CZ 4.34Å; L572-F588 HydrophobicContact CD1-CZ 4.36Å; L572-F588 HydrophobicContact CD2-CZ 4.21Å; L572-Y592 HydrophobicContact CD1-CE2 3.92Å; L572-Y592 HydrophobicContact CD2-CD2 4.1Å; L572-Y592 HydrophobicContact CD2-CE2 3.82Å
573G92.8Very high90.5Very high1 Ų146.9 Ų46.91%0.0125%0.246CC..Hα-helixtrans-58.4-38.5172.500000112.7H26 A570 L571 K576 V577H26-G573 WeakPolarHBondContact NE2-CA 3.28Å; A570-G573 PolarHBondContact O-N 3.39Å; L571-G573 PolarHBondContact O-N 3.43Å; L571-G573 VanDerWaalsContact O-N 3.12Å; G573-K576 PolarHBondContact O-N 3.19Å; G573-V577 WeakPolarHBondContact O-CG2 3.41Å; G573-V577 PolarHBondContact O-N 2.71Å
574I93.5Very high90.2Very high8 Ų849.3 Ų49.34%0.04127%0.272CS..Hα-helixtrans-63.4-59.5-179.6-61.9159.6000111.3T19 I22 F23 E541 L571 L572 K576 V577 L578T19-I574 HydrophobicContact CG2-CD1 3.43Å; T19-I574 VanDerWaalsContact CG2-CD1 3.43Å; T19-I574 HydrophobicContact CG2-CG1 3.76Å; T19-I574 HydrophobicContact CG2-CG2 3.97Å; I22-I574 HydrophobicContact CG2-CG1 4.2Å; F23-I574 HydrophobicContact CB-CD1 4.1Å; F23-I574 HydrophobicContact CB-CG1 4.47Å; F23-I574 HydrophobicContact CG-CD1 4.32Å; E541-I574 HydrophobicContact CG-CB 4.1Å; E541-I574 HydrophobicContact CG-CD1 3.6Å; E541-I574 HydrophobicContact CG-CG1 4.47Å; E541-I574 HydrophobicContact CG-CG2 4.3Å; L571-I574 PolarHBondContact O-N 3.46Å; L572-I574 VanDerWaalsContact C-N 3.25Å; L572-I574 PolarHBondContact O-N 2.85Å; I574-K576 VanDerWaalsContact C-N 3.3Å; I574-K576 PolarHBondContact O-N 3.49Å; I574-V577 PolarHBondContact O-N 3.2Å; I574-V577 VanDerWaalsContact O-N 3.11Å; I574-L578 HydrophobicContact CG2-CD1 4.15Å; I574-L578 WeakPolarHBondContact O-CG 3.38Å; I574-L578 PolarHBondContact O-N 3.4Å
575P92Very high89.7Confident0 Ų056.7 Ų56.70%030%0.304CS..Hα-helixtrans-60.9-37.2177.422.6-32000112.1E541 I542 L571 L572 V577 L578 Y579 F588E541-P575 HydrophobicContact CB-CG 4.5Å; I542-P575 HydrophobicContact CG1-CG 4.28Å; L571-P575 WeakPolarHBondContact O-CD 3.23Å; L572-P575 HydrophobicContact CD2-CG 4.32Å; L572-P575 WeakPolarHBondContact O-CD 3.43Å; L572-P575 WeakPolarHBondContact O-CG 3.29Å; P575-V577 VanDerWaalsContact C-N 3.26Å; P575-V577 PolarHBondContact O-N 3.04Å; P575-L578 PolarHBondContact O-N 3.46Å; P575-L578 VanDerWaalsContact O-N 3.08Å; P575-Y579 HydrophobicContact CB-CD2 4.2Å; P575-Y579 HydrophobicContact CB-CE2 4.29Å; P575-Y579 WeakPolarHBondContact O-CD2 3.38Å; P575-Y579 PolarHBondContact O-N 3.05Å; P575-F588 HydrophobicContact CB-CD2 3.95Å; P575-F588 HydrophobicContact CB-CE2 3.76Å; P575-F588 HydrophobicContact CG-CD2 4.43Å; P575-F588 HydrophobicContact CG-CE2 3.77Å
576K91.8Very high89.1Confident107 Ų10758.1 Ų58.147%0.46531%0.306SS..Hα-helixtrans-56.1-40.7174.8-76171.1-176.4177.30112.6L572 G573 I574 K580 F588L572-K576 WeakPolarHBondContact O-CB 3.4Å; L572-K576 WeakPolarHBondContact O-CD 3.31Å; L572-K576 WeakPolarHBondContact O-CG 3.28Å; L572-K576 PolarHBondContact O-N 3.04Å; L572-K576 VanDerWaalsContact O-N 3.11Å; G573-K576 PolarHBondContact O-N 3.19Å; I574-K576 VanDerWaalsContact C-N 3.3Å; I574-K576 PolarHBondContact O-N 3.49Å; K576-K580 PolarHBondContact O-N 2.84Å; K576-F588 HydrophobicContact CD-CD1 4.48Å; K576-F588 HydrophobicContact CD-CE1 4.13Å; K576-F588 HydrophobicContact CD-CZ 4.47Å; K576-F588 VanDerWaalsContact CE-CE1 3.42Å; K576-F588 HydrophobicContact CG-CD1 3.58Å; K576-F588 HydrophobicContact CG-CD2 4.12Å; K576-F588 HydrophobicContact CG-CE1 3.55Å; K576-F588 HydrophobicContact CG-CE2 4.08Å; K576-F588 HydrophobicContact CG-CG 3.88Å; K576-F588 HydrophobicContact CG-CZ 3.81Å
577V91.7Very high88.9Confident71 Ų7158.7 Ų58.743%0.4331%0.311SS..Hα-helixtrans-69.1-43.4174.9173.70000111.2I22 G573 I574 P575 Y579 K580I22-V577 HydrophobicContact CD1-CG1 4.11Å; I22-V577 HydrophobicContact CG2-CG2 4.22Å; G573-V577 WeakPolarHBondContact O-CG2 3.41Å; G573-V577 PolarHBondContact O-N 2.71Å; I574-V577 PolarHBondContact O-N 3.2Å; I574-V577 VanDerWaalsContact O-N 3.11Å; P575-V577 VanDerWaalsContact C-N 3.26Å; P575-V577 PolarHBondContact O-N 3.04Å; V577-Y579 VanDerWaalsContact C-N 3.28Å; V577-Y579 PolarHBondContact O-N 2.92Å; V577-K580 VanDerWaalsContact O-CB 3.31Å; V577-K580 WeakPolarHBondContact O-CB 3.48Å; V577-K580 PolarHBondContact O-N 3.47Å
578L87.8Confident88.6Confident85 Ų8560.1 Ų60.145%0.44532%0.317SS..Hα-helixtrans-60.3-35.8178.9-68.5174.5000113.2I574 P575I574-L578 HydrophobicContact CG2-CD1 4.15Å; I574-L578 WeakPolarHBondContact O-CG 3.38Å; I574-L578 PolarHBondContact O-N 3.4Å; P575-L578 PolarHBondContact O-N 3.46Å; P575-L578 VanDerWaalsContact O-N 3.08Å
579Y87.4Confident88.4Confident7 Ų763.7 Ų63.73%0.02734%0.341CS..THydrogen-bonded Turntrans-96.14.2-178.2-71.1-79.2000113.4G537 P575 V577 S581 K582 Y586 F588 T591 Q609G537-Y579 VanDerWaalsContact O-CE2 3.24Å; G537-Y579 WeakPolarHBondContact O-CE2 3.46Å; G537-Y579 PolarHBondContact O-OH 3.46Å; P575-Y579 HydrophobicContact CB-CD2 4.2Å; P575-Y579 HydrophobicContact CB-CE2 4.29Å; P575-Y579 WeakPolarHBondContact O-CD2 3.38Å; P575-Y579 PolarHBondContact O-N 3.05Å; V577-Y579 VanDerWaalsContact C-N 3.28Å; V577-Y579 PolarHBondContact O-N 2.92Å; Y579-S581 PolarHBondContact O-N 2.99Å; Y579-S581 VanDerWaalsContact O-N 3.15Å; Y579-K582 HydrophobicContact CD1-CB 4.34Å; Y579-K582 HydrophobicContact CD1-CD 3.44Å; Y579-K582 VanDerWaalsContact CD1-CD 3.44Å; Y579-K582 HydrophobicContact CD1-CG 4.45Å; Y579-K582 HydrophobicContact CE1-CD 3.88Å; Y579-K582 HydrophobicContact CG-CD 4.41Å; Y579-K582 PolarHBondContact O-N 3.11Å; Y579-Y586 WeakPolarHBondContact CD1-O 3.5Å; Y579-F588 HydrophobicContact CD2-CB 4.49Å; Y579-F588 HydrophobicContact CD2-CD2 4.23Å; Y579-F588 HydrophobicContact CG-CB 4.34Å; Y579-T591 HydrophobicContact CE1-CG2 4.39Å; Y579-T591 HydrophobicContact CE2-CG2 4.49Å; Y579-Q609 PolarHBondContact OH-NE2 3.5Å
580K87.5Confident88.1Confident185 Ų18563.4 Ų63.480%0.80434%0.337SS*.THydrogen-bonded Turntrans-56.3-35.3-174.7-174177.6178.6-177.50113.5K576 V577K576-K580 PolarHBondContact O-N 2.84Å; V577-K580 VanDerWaalsContact O-CB 3.31Å; V577-K580 WeakPolarHBondContact O-CB 3.48Å; V577-K580 PolarHBondContact O-N 3.47Å
581S81.8Confident87.6Confident108 Ų10864.2 Ų64.276%0.75534%0.341SS*.THydrogen-bonded Turntrans-92-3.1179.456.50000114.2Y579Y579-S581 PolarHBondContact O-N 2.99Å; Y579-S581 VanDerWaalsContact O-N 3.15Å
582K83.9Confident87.4Confident75 Ų7566.8 Ų66.833%0.32635%0.351SS..  trans-97.3132.4-175.8-66.9177.4172.5-176.30110.8Y579 Y586Y579-K582 HydrophobicContact CD1-CB 4.34Å; Y579-K582 HydrophobicContact CD1-CD 3.44Å; Y579-K582 VanDerWaalsContact CD1-CD 3.44Å; Y579-K582 HydrophobicContact CD1-CG 4.45Å; Y579-K582 HydrophobicContact CE1-CD 3.88Å; Y579-K582 HydrophobicContact CG-CD 4.41Å; Y579-K582 PolarHBondContact O-N 3.11Å; K582-Y586 WeakPolarHBondContact CB-O 3.26Å
583T81.2Confident87.1Confident120 Ų12071.6 Ų71.674%0.73638%0.375SS*.  trans-114.9164-176.756.70000112.5K585 Y586T583-K585 PolarHBondContact O-N 3.47Å; T583-Y586 PolarHBondContact O-N 3.09Å
584G82.4Confident86.9Confident55 Ų5577.8 Ų77.857%0.56740%0.398SS*.G310 helixtrans63.9-131.5176.600000113.6Y586 S587G584-Y586 PolarHBondContact O-N 3.1Å; G584-Y586 VanDerWaalsContact O-N 3.11Å; G584-S587 VanDerWaalsContact O-CB 3.26Å; G584-S587 WeakPolarHBondContact O-CB 3.46Å; G584-S587 PolarHBondContact O-N 3.18Å; G584-S587 PolarHBondContact O-OG 2.92Å
585K78.1Confident86.6Confident155 Ų15577.8 Ų77.867%0.67440%0.4SS*.G310 helixtrans-62.5-16.6-178.1-65-177-179.5-179.90113.9T583 H590T583-K585 PolarHBondContact O-N 3.47Å; K585-H590 PolarHBondContact O-CD2 3.43Å; K585-H590 VanDerWaalsContact O-CD2 3.3Å
586Y79.3Confident86.4Confident119 Ų11978.9 Ų78.947%0.46741%0.406SS..G310 helixtrans-101.98.3178.5-54.3-72.7000112.7Y579 K582 T583 G584Y579-Y586 WeakPolarHBondContact CD1-O 3.5Å; K582-Y586 WeakPolarHBondContact CB-O 3.26Å; T583-Y586 PolarHBondContact O-N 3.09Å; G584-Y586 PolarHBondContact O-N 3.1Å; G584-Y586 VanDerWaalsContact O-N 3.11Å
587S86.4Confident86.3Confident29 Ų2978.9 Ų78.920%0.20341%0.408CS..SBendtrans-69.9157.4175.564.40000111.7G584 H590 T591G584-S587 VanDerWaalsContact O-CB 3.26Å; G584-S587 WeakPolarHBondContact O-CB 3.46Å; G584-S587 PolarHBondContact O-N 3.18Å; G584-S587 PolarHBondContact O-OG 2.92Å; S587-H590 PolarHBondContact O-N 2.88Å; S587-T591 WeakPolarHBondContact O-CB 3.4Å; S587-T591 PolarHBondContact O-N 3.29Å; S587-T591 PolarHBondContact O-OG1 3.17Å
588F89.7Confident86.1Confident30 Ų3076 Ų7613%0.13239%0.391CS..Hα-helixtrans-55.5-50.5177.3172.8-102.9000113L572 P575 K576 Y579 H590 T591 Y592L572-F588 HydrophobicContact CB-CZ 4.34Å; L572-F588 HydrophobicContact CD1-CZ 4.36Å; L572-F588 HydrophobicContact CD2-CZ 4.21Å; P575-F588 HydrophobicContact CB-CD2 3.95Å; P575-F588 HydrophobicContact CB-CE2 3.76Å; P575-F588 HydrophobicContact CG-CD2 4.43Å; P575-F588 HydrophobicContact CG-CE2 3.77Å; K576-F588 HydrophobicContact CD-CD1 4.48Å; K576-F588 HydrophobicContact CD-CE1 4.13Å; K576-F588 HydrophobicContact CD-CZ 4.47Å; K576-F588 VanDerWaalsContact CE-CE1 3.42Å; K576-F588 HydrophobicContact CG-CD1 3.58Å; K576-F588 HydrophobicContact CG-CD2 4.12Å; K576-F588 HydrophobicContact CG-CE1 3.55Å; K576-F588 HydrophobicContact CG-CE2 4.08Å; K576-F588 HydrophobicContact CG-CG 3.88Å; K576-F588 HydrophobicContact CG-CZ 3.81Å; Y579-F588 HydrophobicContact CD2-CB 4.49Å; Y579-F588 HydrophobicContact CD2-CD2 4.23Å; Y579-F588 HydrophobicContact CG-CB 4.34Å; F588-H590 VanDerWaalsContact C-N 3.32Å; F588-H590 PolarHBondContact O-N 3.01Å; F588-T591 PolarHBondContact O-N 3.39Å; F588-Y592 HydrophobicContact CE2-CD2 4.43Å; F588-Y592 HydrophobicContact CZ-CD2 4.06Å; F588-Y592 HydrophobicContact CZ-CG 4.13Å; F588-Y592 VanDerWaalsContact O-CB 3.27Å; F588-Y592 WeakPolarHBondContact O-CB 3.36Å; F588-Y592 PolarHBondContact O-N 3.42Å
589P89.6Confident86.1Confident76 Ų7672.2 Ų72.249%0.49437%0.371SS..Hα-helixtrans-59.8-42.2-176.9-24.535.6000112.6Y592 I593P589-Y592 PolarHBondContact O-N 3.3Å; P589-I593 WeakPolarHBondContact O-CB 3.44Å; P589-I593 VanDerWaalsContact O-CG1 3.25Å; P589-I593 WeakPolarHBondContact O-CG1 3.28Å; P589-I593 PolarHBondContact O-N 3.43Å
590H86.7Confident86.1Confident81 Ų8177.7 Ų77.738%0.37540%0.398SS..Hα-helixtrans-67.2-43.1-179.9-162.680.6000111.8K585 S587 F588 R594K585-H590 PolarHBondContact O-CD2 3.43Å; K585-H590 VanDerWaalsContact O-CD2 3.3Å; S587-H590 PolarHBondContact O-N 2.88Å; F588-H590 VanDerWaalsContact C-N 3.32Å; F588-H590 PolarHBondContact O-N 3.01Å; H590-R594 PolarHBondContact NE2-NH2 3.17Å; H590-R594 WeakPolarHBondContact O-CB 3.49Å; H590-R594 PolarHBondContact O-N 3.14Å; H590-R594 VanDerWaalsContact O-N 3.09Å
591T86.6Confident86Confident21 Ų2172.1 Ų72.113%0.12938%0.379CS..Hα-helixtrans-64.9-42.8177.5-52.80000111.3Y579 S587 F588 R594 A595Y579-T591 HydrophobicContact CE1-CG2 4.39Å; Y579-T591 HydrophobicContact CE2-CG2 4.49Å; S587-T591 WeakPolarHBondContact O-CB 3.4Å; S587-T591 PolarHBondContact O-N 3.29Å; S587-T591 PolarHBondContact O-OG1 3.17Å; F588-T591 PolarHBondContact O-N 3.39Å; T591-R594 PolarHBondContact O-N 3.43Å; T591-A595 WeakPolarHBondContact O-CB 3.43Å; T591-A595 PolarHBondContact O-N 3.47Å
592Y90.2Very high85.7Confident57 Ų5773.3 Ų73.322%0.22438%0.377CS..Hα-helixtrans-63.8-48.4178.2177.1-99.8000112I542 H545 L572 F588 P589 R594 A595 V596I542-Y592 HydrophobicContact CG1-CD2 4.37Å; I542-Y592 HydrophobicContact CG2-CD2 4.24Å; I542-Y592 HydrophobicContact CG2-CE2 4.45Å; H545-Y592 AromaticContact CD2-CE2 3.85Å; H545-Y592 PolarHBondContact CD2-OH 3.45Å; H545-Y592 AromaticContact NE2-CZ 3.85Å; H545-Y592 PolarHBondContact NE2-OH 3.16Å; L572-Y592 HydrophobicContact CD1-CE2 3.92Å; L572-Y592 HydrophobicContact CD2-CD2 4.1Å; L572-Y592 HydrophobicContact CD2-CE2 3.82Å; F588-Y592 HydrophobicContact CE2-CD2 4.43Å; F588-Y592 HydrophobicContact CZ-CD2 4.06Å; F588-Y592 HydrophobicContact CZ-CG 4.13Å; F588-Y592 VanDerWaalsContact O-CB 3.27Å; F588-Y592 WeakPolarHBondContact O-CB 3.36Å; F588-Y592 PolarHBondContact O-N 3.42Å; P589-Y592 PolarHBondContact O-N 3.3Å; Y592-R594 VanDerWaalsContact C-N 3.3Å; Y592-R594 PolarHBondContact O-N 3.18Å; Y592-A595 PolarHBondContact O-N 3.07Å; Y592-V596 HydrophobicContact CD1-CG2 4.29Å; Y592-V596 HydrophobicContact CD2-CG2 4.34Å; Y592-V596 HydrophobicContact CE1-CG2 3.9Å; Y592-V596 HydrophobicContact CE2-CG2 3.96Å; Y592-V596 WeakPolarHBondContact O-CG2 3.33Å; Y592-V596 PolarHBondContact O-N 3.31Å
593I89.4Confident85.4Confident113 Ų11375.4 Ų75.458%0.57939%0.388SS*.Hα-helixtrans-60-43178-70.1167.3000110.6P589 V596 H597P589-I593 WeakPolarHBondContact O-CB 3.44Å; P589-I593 VanDerWaalsContact O-CG1 3.25Å; P589-I593 WeakPolarHBondContact O-CG1 3.28Å; P589-I593 PolarHBondContact O-N 3.43Å; I593-V596 PolarHBondContact O-N 3.36Å; I593-H597 WeakPolarHBondContact O-CB 3.25Å; I593-H597 PolarHBondContact O-N 3.02Å
594R87.6Confident84.8Confident131 Ų13174.7 Ų74.749%0.49439%0.385SS..Hα-helixtrans-61.1-45.7176.5-175.2-177.6-64.6-171-1.1112H590 T591 Y592 H597 A598H590-R594 PolarHBondContact NE2-NH2 3.17Å; H590-R594 WeakPolarHBondContact O-CB 3.49Å; H590-R594 PolarHBondContact O-N 3.14Å; H590-R594 VanDerWaalsContact O-N 3.09Å; T591-R594 PolarHBondContact O-N 3.43Å; Y592-R594 VanDerWaalsContact C-N 3.3Å; Y592-R594 PolarHBondContact O-N 3.18Å; R594-H597 PolarHBondContact O-N 3.4Å; R594-A598 WeakPolarHBondContact O-CB 3.39Å; R594-A598 PolarHBondContact O-N 3.29Å
595A88.4Confident84.4Confident8 Ų873.4 Ų73.47%0.06637%0.365CS..Hα-helixtrans-62.7-45178.200000111.6I542 T591 Y592 H597 A598 L599 L605I542-A595 HydrophobicContact CG2-CB 3.91Å; T591-A595 WeakPolarHBondContact O-CB 3.43Å; T591-A595 PolarHBondContact O-N 3.47Å; Y592-A595 PolarHBondContact O-N 3.07Å; A595-H597 PolarHBondContact O-N 2.9Å; A595-A598 PolarHBondContact O-N 3.5Å; A595-L599 VanDerWaalsContact O-CG 3.28Å; A595-L599 WeakPolarHBondContact O-CG 3.34Å; A595-L599 PolarHBondContact O-N 2.81Å; A595-L605 HydrophobicContact CB-CD1 4.41Å; A595-L605 HydrophobicContact CB-CD2 4.13Å; A595-L605 HydrophobicContact CB-CG 4.34Å
596V88.3Confident83.7Confident23 Ų2370.8 Ų70.814%0.13936%0.362CS..Hα-helixtrans-63.3-42.7177.2173.30000111.4Y546 Y592 I593 A598 L599 Q600Y546-V596 HydrophobicContact CE2-CG1 4.44Å; Y592-V596 HydrophobicContact CD1-CG2 4.29Å; Y592-V596 HydrophobicContact CD2-CG2 4.34Å; Y592-V596 HydrophobicContact CE1-CG2 3.9Å; Y592-V596 HydrophobicContact CE2-CG2 3.96Å; Y592-V596 WeakPolarHBondContact O-CG2 3.33Å; Y592-V596 PolarHBondContact O-N 3.31Å; I593-V596 PolarHBondContact O-N 3.36Å; V596-A598 PolarHBondContact O-N 2.83Å; V596-L599 PolarHBondContact O-N 3.24Å; V596-Q600 HydrophobicContact CG1-CG 4.37Å; V596-Q600 WeakPolarHBondContact O-CG 3.32Å; V596-Q600 PolarHBondContact O-N 3.36Å
597H88.3Confident83Confident107 Ų10766 Ų6650%0.49535%0.346SS..Hα-helixtrans-61.4-43.3175.9-178.3-85.7000111.8I593 R594 A595 L599 Q600 T601I593-H597 WeakPolarHBondContact O-CB 3.25Å; I593-H597 PolarHBondContact O-N 3.02Å; R594-H597 PolarHBondContact O-N 3.4Å; A595-H597 PolarHBondContact O-N 2.9Å; H597-L599 VanDerWaalsContact C-N 3.33Å; H597-L599 PolarHBondContact O-N 3.2Å; H597-Q600 PolarHBondContact O-N 3.28Å; H597-T601 WeakPolarHBondContact O-CB 3.46Å; H597-T601 WeakPolarHBondContact O-CG2 3.29Å; H597-T601 PolarHBondContact O-N 3.38Å; H597-T601 PolarHBondContact O-OG1 2.99Å
598A87.3Confident81.8Confident10 Ų1066.6 Ų66.68%0.08335%0.35CS..Hα-helixtrans-60.1-43.5174.600000111.5R594 A595 V596 Q600 T601 N602 Q603R594-A598 WeakPolarHBondContact O-CB 3.39Å; R594-A598 PolarHBondContact O-N 3.29Å; A595-A598 PolarHBondContact O-N 3.5Å; V596-A598 PolarHBondContact O-N 2.83Å; A598-Q600 PolarHBondContact O-N 3.38Å; A598-T601 CarbonylContact O-C 3.57Å; A598-T601 PolarHBondContact O-N 3.44Å; A598-T601 PolarHBondContact O-OG1 3.23Å; A598-N602 PolarHBondContact O-N 3.11Å; A598-Q603 HydrophobicContact CB-CB 4.27Å; A598-Q603 PolarHBondContact O-N 2.99Å
599L88.4Confident80.7Confident6 Ų667.4 Ų67.43%0.03135%0.354CS..Hα-helixtrans-65.6-36.6177.5-68.7169.2000113.4L543 Y546 A595 V596 H597 T601 L605L543-L599 HydrophobicContact CD2-CD1 4.08Å; L543-L599 HydrophobicContact CD2-CD2 3.52Å; L543-L599 HydrophobicContact CD2-CG 4.38Å; Y546-L599 HydrophobicContact CD1-CB 4.3Å; Y546-L599 HydrophobicContact CD1-CD1 3.94Å; Y546-L599 HydrophobicContact CD2-CD1 4.37Å; Y546-L599 HydrophobicContact CE1-CB 4.03Å; Y546-L599 HydrophobicContact CE2-CB 4.47Å; Y546-L599 HydrophobicContact CG-CD1 3.84Å; A595-L599 VanDerWaalsContact O-CG 3.28Å; A595-L599 WeakPolarHBondContact O-CG 3.34Å; A595-L599 PolarHBondContact O-N 2.81Å; V596-L599 PolarHBondContact O-N 3.24Å; H597-L599 VanDerWaalsContact C-N 3.33Å; H597-L599 PolarHBondContact O-N 3.2Å; L599-T601 VanDerWaalsContact C-N 3.34Å; L599-L605 HydrophobicContact CD1-CD1 4.16Å; L599-L605 HydrophobicContact CD2-CD1 3.71Å; L599-L605 HydrophobicContact CG-CD1 3.72Å
600Q87.2Confident80.1Confident123 Ų12368.6 Ų68.658%0.57536%0.36SS*.Hα-helixtrans-69.9-33175.9-73.7173.9-17.900112.3Y546 V596 H597 A598Y546-Q600 HydrophobicContact CE2-CG 4.46Å; V596-Q600 HydrophobicContact CG1-CG 4.37Å; V596-Q600 WeakPolarHBondContact O-CG 3.32Å; V596-Q600 PolarHBondContact O-N 3.36Å; H597-Q600 PolarHBondContact O-N 3.28Å; A598-Q600 PolarHBondContact O-N 3.38Å
601T84.7Confident80.2Confident67 Ų6765.1 Ų65.141%0.41135%0.347SS..THydrogen-bonded Turntrans-93.46.9-179.954.40000113.5H597 A598 L599 Q603H597-T601 WeakPolarHBondContact O-CB 3.46Å; H597-T601 WeakPolarHBondContact O-CG2 3.29Å; H597-T601 PolarHBondContact O-N 3.38Å; H597-T601 PolarHBondContact O-OG1 2.99Å; A598-T601 CarbonylContact O-C 3.57Å; A598-T601 PolarHBondContact O-N 3.44Å; A598-T601 PolarHBondContact O-OG1 3.23Å; L599-T601 VanDerWaalsContact C-N 3.34Å; T601-Q603 PolarHBondContact O-N 3.27Å
602N76.6Confident80.5Confident133 Ų13364.4 Ų64.471%0.71134%0.342SS*.THydrogen-bonded Turntrans53.530.8-175.4-64.6-46.2000114.2A598A598-N602 PolarHBondContact O-N 3.11Å
603Q76.7Confident80.6Confident119 Ų11963 Ų6356%0.55634%0.338SS*.  trans-88.2150.3173.9-69.5-162.4-19.700111.4A598 T601A598-Q603 HydrophobicContact CB-CB 4.27Å; A598-Q603 PolarHBondContact O-N 2.99Å; T601-Q603 PolarHBondContact O-N 3.27Å
604P69.3Low80.8Confident106 Ų10658.1 Ų58.169%0.68831%0.313SS*.  trans-61.7142.8175.125.9-33.6000110.7V606P604-V606 PolarHBondContact O-N 3.24Å; P604-V606 VanDerWaalsContact O-N 3.1Å
605L73.8Confident81Confident27 Ų2751.9 Ų51.914%0.14129%0.29CS..  trans-69.2109.3176.4-122.495.7000109.5N539 L543 A595 L599 S607N539-L605 HydrophobicContact CB-CD2 4.03Å; N539-L605 VanDerWaalsContact OD1-CD2 3.24Å; N539-L605 WeakPolarHBondContact OD1-CD2 3.21Å; L543-L605 HydrophobicContact CD2-CD1 4.14Å; A595-L605 HydrophobicContact CB-CD1 4.41Å; A595-L605 HydrophobicContact CB-CD2 4.13Å; A595-L605 HydrophobicContact CB-CG 4.34Å; L599-L605 HydrophobicContact CD1-CD1 4.16Å; L599-L605 HydrophobicContact CD2-CD1 3.71Å; L599-L605 HydrophobicContact CG-CD1 3.72Å; L605-S607 PolarHBondContact O-N 3.03Å
606V63.3Low81.2Confident101 Ų10151.9 Ų51.961%0.61229%0.289SS*.  trans-79108.7173.6-1770000108.8P604P604-V606 PolarHBondContact O-N 3.24Å; P604-V606 VanDerWaalsContact O-N 3.1Å
607S64.4Low81.4Confident17 Ų1751.8 Ų51.812%0.11929%0.292CS..  trans-78.8133.4173.9-174.60000110.8V536 L605 Q609V536-S607 PolarHBondContact O-OG 3.47Å; L605-S607 PolarHBondContact O-N 3.03Å; S607-Q609 PolarHBondContact OG-N 3.43Å; S607-Q609 VanDerWaalsContact OG-N 3.14Å; S607-Q609 PolarHBondContact OG-O 3.27Å; S607-Q609 VanDerWaalsContact OG-O 3.08Å
608S60.9Low81.6Confident43 Ų4348 Ų4830%0.30127%0.274SS..SBendtrans-81.9-4.3170.5620000113.2
609Q66.6Low81.9Confident46 Ų4648.5 Ų48.522%0.21527%0.274CS..SBendtrans-113.7135.3-176.3-57.8-172.318.400110.5V536 G537 Y579 S607V536-Q609 HydrophobicContact CG2-CB 3.79Å; G537-Q609 VanDerWaalsContact CA-OE1 3.23Å; Y579-Q609 PolarHBondContact OH-NE2 3.5Å; S607-Q609 PolarHBondContact OG-N 3.43Å; S607-Q609 VanDerWaalsContact OG-N 3.14Å; S607-Q609 PolarHBondContact OG-O 3.27Å; S607-Q609 VanDerWaalsContact OG-O 3.08Å
610T78.5Confident82.1Confident101 Ų10149.1 Ų49.162%0.6228%0.277SS*.  trans-82.3131.6174.449.90000109.8I491I491-T610 HydrophobicContact CD1-CG2 4.11Å
611G88.4Confident82.5Confident9 Ų943.8 Ų43.89%0.09325%0.252CS..  trans130.8161.7176.300000113.4L106 P535 V536L106-G611 WeakPolarHBondContact O-CA 3.28Å; P535-G611 WeakPolarHBondContact CA-O 3.41Å; V536-G611 PolarHBondContact N-O 3.03Å; V536-G611 VanDerWaalsContact N-O 3.09Å
612L92.3Very high83Confident5 Ų540.7 Ų40.73%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-119.1153.4-179.9-63.7171.2000110.5L88 L106 L107 A110 V533 L534L88-L612 HydrophobicContact CD1-CD2 4.28Å; L106-L612 HydrophobicContact CB-CD1 4.08Å; L106-L612 HydrophobicContact CB-CG 4.11Å; L106-L612 HydrophobicContact CD1-CD1 4.44Å; L106-L612 PolarHBondContact O-N 3Å; L107-L612 HydrophobicContact CB-CB 4.29Å; L107-L612 HydrophobicContact CD1-CB 4.42Å; L107-L612 WeakPolarHBondContact CD1-O 3.5Å; A110-L612 WeakPolarHBondContact CB-O 3.44Å; V533-L612 HydrophobicContact CB-CB 4.37Å; V533-L612 HydrophobicContact CG2-CD1 4.11Å; V533-L612 HydrophobicContact CG2-CD2 4.17Å; L534-L612 CarbonylContact O-C 3.52Å; L534-L612 WeakPolarHBondContact O-CA 3.47Å
613E92.9Very high83.8Confident29 Ų2935.2 Ų35.214%0.13620%0.204CC..EExtended strand (participates in β ladder)trans-130.9147.6172.354179.4-159.600111V533 L534 V536 K618V533-E613 CarbonylContact C-O 3.57Å; V533-E613 VanDerWaalsContact CA-O 3.23Å; V533-E613 WeakPolarHBondContact CA-O 3.32Å; V533-E613 WeakPolarHBondContact CB-O 3.41Å; L534-E613 HydrophobicContact CB-CG 4.36Å; L534-E613 PolarHBondContact N-O 3.31Å; L534-E613 WeakPolarHBondContact O-CG 3.22Å; L534-E613 PolarHBondContact O-N 3.18Å; V536-E613 HydrophobicContact CG1-CB 4.08Å; V536-E613 HydrophobicContact CG1-CG 4.26Å; E613-K618 WeakPolarHBondContact OE1-CE 3.47Å; E613-K618 IonicContact OE1-NZ 3.36Å; E613-K618 PolarHBondContact OE1-NZ 3.35Å; E613-K618 WeakPolarHBondContact OE2-CE 3.41Å; E613-K618 IonicContact OE2-NZ 3.39Å; E613-K618 PolarHBondContact OE2-NZ 3.16Å
614S92.8Very high84.7Confident9 Ų930.6 Ų30.66%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-74.5123.5-179.9173.80000111.6G617 K618S614-G617 PolarHBondContact O-N 3.19Å; S614-G617 PolarHBondContact OG-N 3.12Å; S614-G617 VanDerWaalsContact OG-N 3.16Å; S614-K618 WeakPolarHBondContact O-CG 3.42Å; S614-K618 PolarHBondContact O-N 3.34Å
615V93.1Very high86Confident1 Ų125.5 Ų25.51%0.00615%0.152CC..Hα-helixtrans-65.7-42.3175.3175.70000110.6M79 F87 M528 C532 L534 F540 G617 K618 Y619M79-V615 HydrophobicContact CE-CG1 3.73Å; F87-V615 HydrophobicContact CD1-CG1 4.24Å; F87-V615 HydrophobicContact CD1-CG2 3.69Å; F87-V615 HydrophobicContact CD2-CG1 4.4Å; F87-V615 HydrophobicContact CE1-CB 4.45Å; F87-V615 HydrophobicContact CE1-CG1 3.68Å; F87-V615 HydrophobicContact CE1-CG2 3.86Å; F87-V615 HydrophobicContact CE2-CG1 3.9Å; F87-V615 HydrophobicContact CG-CG2 4.15Å; F87-V615 HydrophobicContact CZ-CG1 3.51Å; F87-V615 HydrophobicContact CZ-CG2 4.47Å; M528-V615 HydrophobicContact CE-CB 4.37Å; M528-V615 HydrophobicContact CE-CG1 3.95Å; M528-V615 HydrophobicContact SD-CG1 3.81Å; C532-V615 HydrophobicContact CB-CB 3.96Å; C532-V615 HydrophobicContact CB-CG2 4.08Å; C532-V615 WeakPolarHBondContact O-CB 3.38Å; C532-V615 PolarHBondContact O-N 2.97Å; L534-V615 HydrophobicContact CB-CG2 4.4Å; L534-V615 HydrophobicContact CD1-CG2 3.96Å; L534-V615 HydrophobicContact CG-CG2 3.79Å; F540-V615 HydrophobicContact CE2-CG1 4.42Å; V615-G617 VanDerWaalsContact C-N 3.28Å; V615-G617 PolarHBondContact O-N 2.96Å; V615-K618 WeakPolarHBondContact O-CB 3.44Å; V615-K618 PolarHBondContact O-N 2.92Å; V615-K618 VanDerWaalsContact O-N 3.11Å; V615-Y619 PolarHBondContact O-N 3.3Å
616M91.4Very high87Confident8 Ų824.2 Ų24.24%0.03915%0.145CC..Hα-helixtrans-57.5-43.5175.5177.565.281.400111.3Q357 K360 L362 K618 Y619 Q620Q357-M616 HydrophobicContact CB-CG 4.08Å; K360-M616 HydrophobicContact CB-CE 4.32Å; K360-M616 WeakPolarHBondContact O-CE 3.48Å; L362-M616 HydrophobicContact CB-CE 3.46Å; L362-M616 VanDerWaalsContact CB-CE 3.46Å; L362-M616 HydrophobicContact CB-SD 4.28Å; L362-M616 HydrophobicContact CD1-CE 3.98Å; L362-M616 HydrophobicContact CD1-SD 3.88Å; L362-M616 HydrophobicContact CD2-SD 4.32Å; L362-M616 HydrophobicContact CG-CE 4.17Å; L362-M616 HydrophobicContact CG-SD 4.38Å; M616-K618 VanDerWaalsContact C-N 3.31Å; M616-K618 PolarHBondContact O-N 3.26Å; M616-Y619 PolarHBondContact O-N 2.72Å; M616-Q620 WeakPolarHBondContact O-CB 3.4Å; M616-Q620 WeakPolarHBondContact O-CG 3.46Å; M616-Q620 PolarHBondContact O-N 3.39Å; M616-Q620 HydrophobicContact SD-CG 4.16Å
617G91.8Very high88.5Confident20 Ų2023.8 Ų23.821%0.20614%0.137CC..Hα-helixtrans-59.4-41.3176.300000112.5S614 V615 L621S614-G617 PolarHBondContact O-N 3.19Å; S614-G617 PolarHBondContact OG-N 3.12Å; S614-G617 VanDerWaalsContact OG-N 3.16Å; V615-G617 VanDerWaalsContact C-N 3.28Å; V615-G617 PolarHBondContact O-N 2.96Å; G617-L621 WeakPolarHBondContact O-CB 3.42Å; G617-L621 PolarHBondContact O-N 3.11Å
618K93.4Very high90Very high27 Ų2723.1 Ų23.112%0.11713%0.132CC..Hα-helixtrans-68.4-42.8177-65.6-70.8-174.1155.80113.1F540 E541 E613 S614 V615 M616 L621 L622F540-K618 HydrophobicContact CB-CG 4.28Å; F540-K618 HydrophobicContact CD1-CB 3.73Å; F540-K618 HydrophobicContact CD1-CD 4.19Å; F540-K618 HydrophobicContact CD1-CG 4.08Å; F540-K618 HydrophobicContact CD2-CB 3.91Å; F540-K618 HydrophobicContact CD2-CG 4.28Å; F540-K618 HydrophobicContact CE1-CB 3.72Å; F540-K618 HydrophobicContact CE2-CB 3.89Å; F540-K618 HydrophobicContact CG-CB 3.84Å; F540-K618 HydrophobicContact CG-CD 4.37Å; F540-K618 HydrophobicContact CG-CG 3.94Å; F540-K618 HydrophobicContact CZ-CB 3.79Å; E541-K618 IonicContact OE1-NZ 3.65Å; E541-K618 PolarHBondContact OE1-NZ 3.25Å; E541-K618 IonicContact OE2-NZ 3.94Å; E613-K618 WeakPolarHBondContact OE1-CE 3.47Å; E613-K618 IonicContact OE1-NZ 3.36Å; E613-K618 PolarHBondContact OE1-NZ 3.35Å; E613-K618 WeakPolarHBondContact OE2-CE 3.41Å; E613-K618 IonicContact OE2-NZ 3.39Å; E613-K618 PolarHBondContact OE2-NZ 3.16Å; S614-K618 WeakPolarHBondContact O-CG 3.42Å; S614-K618 PolarHBondContact O-N 3.34Å; V615-K618 WeakPolarHBondContact O-CB 3.44Å; V615-K618 PolarHBondContact O-N 2.92Å; V615-K618 VanDerWaalsContact O-N 3.11Å; M616-K618 VanDerWaalsContact C-N 3.31Å; M616-K618 PolarHBondContact O-N 3.26Å; K618-L621 WeakPolarHBondContact O-CB 3.44Å; K618-L621 PolarHBondContact O-N 3.32Å; K618-L622 PolarHBondContact O-N 3.07Å
619Y93.1Very high91.6Very high22 Ų2221.1 Ų21.19%0.08612%0.118CC..Hα-helixtrans-60.1-48.8174.9177.4-88.9000110.9L75 D76 M79 L362 L364 V615 M616 L621 L622 T623L75-Y619 HydrophobicContact CD2-CD2 4.29Å; L75-Y619 HydrophobicContact CD2-CE2 3.85Å; L75-Y619 HydrophobicContact CG-CD2 4.44Å; L75-Y619 HydrophobicContact CG-CE2 3.95Å; D76-Y619 WeakPolarHBondContact OD1-CE2 3.42Å; D76-Y619 PolarHBondContact OD1-OH 3.32Å; M79-Y619 HydrophobicContact CE-CD2 4.09Å; M79-Y619 HydrophobicContact CG-CD2 3.9Å; M79-Y619 HydrophobicContact CG-CE2 4.14Å; M79-Y619 HydrophobicContact SD-CD2 4.27Å; L362-Y619 HydrophobicContact CD1-CD1 3.96Å; L362-Y619 HydrophobicContact CD1-CE1 3.75Å; L362-Y619 HydrophobicContact CD2-CD1 3.6Å; L362-Y619 HydrophobicContact CD2-CD2 3.92Å; L362-Y619 HydrophobicContact CD2-CE1 3.84Å; L362-Y619 HydrophobicContact CD2-CE2 4.11Å; L362-Y619 HydrophobicContact CD2-CG 3.66Å; L362-Y619 HydrophobicContact CG-CD1 4.43Å; L362-Y619 HydrophobicContact CG-CE1 4.34Å; L364-Y619 HydrophobicContact CD2-CE2 4.08Å; V615-Y619 PolarHBondContact O-N 3.3Å; M616-Y619 PolarHBondContact O-N 2.72Å; Y619-L621 VanDerWaalsContact C-N 3.28Å; Y619-L621 PolarHBondContact O-N 3.34Å; Y619-L622 PolarHBondContact O-N 3.27Å; Y619-T623 PolarHBondContact O-N 3.44Å; Y619-T623 PolarHBondContact O-OG1 3.35Å
620Q93.3Very high92.8Very high19 Ų1920.2 Ų20.29%0.08912%0.116CC..Hα-helixtrans-62.8-35.4177.5-70.6-175.59.100112.5T13 M616 S624T13-Q620 HydrophobicContact CG2-CB 4.02Å; T13-Q620 VanDerWaalsContact CG2-OE1 3.27Å; M616-Q620 WeakPolarHBondContact O-CB 3.4Å; M616-Q620 WeakPolarHBondContact O-CG 3.46Å; M616-Q620 PolarHBondContact O-N 3.39Å; M616-Q620 HydrophobicContact SD-CG 4.16Å; Q620-S624 VanDerWaalsContact O-CB 3.29Å; Q620-S624 WeakPolarHBondContact O-CB 3.41Å; Q620-S624 PolarHBondContact O-N 2.82Å; Q620-S624 PolarHBondContact O-OG 2.93Å
621L95.6Very high93.4Very high10 Ų1020.9 Ų20.95%0.05211%0.11CC..Hα-helixtrans-61.1-50.8173.5174.569.4000111.5H9 T19 F20 G617 K618 Y619 T623 S624 V625H9-L621 WeakPolarHBondContact CE1-CA 3.24Å; T19-L621 HydrophobicContact CG2-CD2 3.47Å; T19-L621 VanDerWaalsContact CG2-CD2 3.47Å; F20-L621 HydrophobicContact CB-CD1 3.68Å; F20-L621 HydrophobicContact CD2-CD1 4Å; F20-L621 HydrophobicContact CG-CD1 4.29Å; G617-L621 WeakPolarHBondContact O-CB 3.42Å; G617-L621 PolarHBondContact O-N 3.11Å; K618-L621 WeakPolarHBondContact O-CB 3.44Å; K618-L621 PolarHBondContact O-N 3.32Å; Y619-L621 VanDerWaalsContact C-N 3.28Å; Y619-L621 PolarHBondContact O-N 3.34Å; L621-T623 PolarHBondContact O-N 2.76Å; L621-S624 PolarHBondContact O-N 2.65Å; L621-V625 HydrophobicContact CD1-CG2 4.24Å; L621-V625 WeakPolarHBondContact O-CG2 3.24Å; L621-V625 PolarHBondContact O-N 3.46Å
622L95Very high93.6Very high3 Ų322.2 Ų22.22%0.01612%0.115CC..Hα-helixtrans-56.4-52.3177.7175.559.6000110.6F23 L75 L544 I567 K618 Y619 S624 V625 L626F23-L622 HydrophobicContact CE1-CD1 3.36Å; F23-L622 HydrophobicContact CZ-CD1 3.59Å; L75-L622 HydrophobicContact CD1-CD2 3.4Å; L75-L622 HydrophobicContact CD2-CD2 3.52Å; L75-L622 HydrophobicContact CD2-CG 3.95Å; L75-L622 HydrophobicContact CG-CD2 4.11Å; L544-L622 HydrophobicContact CD2-CD2 3.54Å; I567-L622 HydrophobicContact CG2-CD1 4.42Å; K618-L622 PolarHBondContact O-N 3.07Å; Y619-L622 PolarHBondContact O-N 3.27Å; L622-S624 VanDerWaalsContact C-N 3.35Å; L622-S624 PolarHBondContact O-N 3.33Å; L622-V625 PolarHBondContact O-N 2.91Å; L622-L626 HydrophobicContact CD1-CD1 3.89Å; L622-L626 HydrophobicContact CD1-CD2 4.47Å; L622-L626 HydrophobicContact CD1-CG 4.06Å; L622-L626 HydrophobicContact CG-CD1 4.04Å; L622-L626 VanDerWaalsContact O-CG 3.28Å; L622-L626 WeakPolarHBondContact O-CG 3.47Å; L622-L626 PolarHBondContact O-N 3.01Å
623T93.8Very high93.4Very high17 Ų1722.7 Ų22.710%0.10412%0.117CC..Hα-helixtrans-58.2-44.4177.7-65.30000112.3Q71 Y619 L621 V625 L626 Q627Q71-T623 HydrophobicContact CG-CG2 4.41Å; Y619-T623 PolarHBondContact O-N 3.44Å; Y619-T623 PolarHBondContact O-OG1 3.35Å; L621-T623 PolarHBondContact O-N 2.76Å; T623-V625 VanDerWaalsContact C-N 3.34Å; T623-V625 PolarHBondContact O-N 3.23Å; T623-L626 PolarHBondContact O-N 2.66Å; T623-Q627 HydrophobicContact CG2-CG 4.38Å; T623-Q627 WeakPolarHBondContact O-CB 3.41Å; T623-Q627 VanDerWaalsContact O-CG 3.23Å; T623-Q627 WeakPolarHBondContact O-CG 3.45Å; T623-Q627 PolarHBondContact O-N 3.16Å
624S95.6Very high93.1Very high22 Ų2224.9 Ų24.915%0.15413%0.132CC..Hα-helixtrans-65.6-37.1-179.9-54.30000112.2H9 Q620 L621 L622 C628H9-S624 WeakPolarHBondContact ND1-CB 3.12Å; H9-S624 PolarHBondContact ND1-OG 3.43Å; Q620-S624 VanDerWaalsContact O-CB 3.29Å; Q620-S624 WeakPolarHBondContact O-CB 3.41Å; Q620-S624 PolarHBondContact O-N 2.82Å; Q620-S624 PolarHBondContact O-OG 2.93Å; L621-S624 PolarHBondContact O-N 2.65Å; L622-S624 VanDerWaalsContact C-N 3.35Å; L622-S624 PolarHBondContact O-N 3.33Å; S624-C628 WeakPolarHBondContact O-CB 3.37Å; S624-C628 PolarHBondContact O-N 2.97Å
625V96.9Very high92.8Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-69.2-45176.2171.80000110.9F20 F23 L24 L27 L621 L622 T623 C628 L629F20-V625 HydrophobicContact CB-CG2 4.07Å; F20-V625 HydrophobicContact CD1-CG2 3.87Å; F20-V625 HydrophobicContact CD2-CG2 3.4Å; F20-V625 VanDerWaalsContact CD2-CG2 3.4Å; F20-V625 HydrophobicContact CE1-CG2 4.12Å; F20-V625 HydrophobicContact CE2-CB 4.44Å; F20-V625 HydrophobicContact CE2-CG2 3.69Å; F20-V625 HydrophobicContact CG-CG2 3.49Å; F20-V625 VanDerWaalsContact CG-CG2 3.49Å; F20-V625 HydrophobicContact CZ-CG2 4.02Å; F23-V625 HydrophobicContact CD1-CB 3.85Å; F23-V625 HydrophobicContact CD1-CG1 3.58Å; F23-V625 HydrophobicContact CD1-CG2 3.97Å; F23-V625 HydrophobicContact CE1-CB 4.19Å; F23-V625 HydrophobicContact CE1-CG1 3.96Å; F23-V625 HydrophobicContact CG-CG1 4.24Å; L24-V625 HydrophobicContact CB-CG1 4.08Å; L24-V625 HydrophobicContact CD1-CG1 4.33Å; L27-V625 HydrophobicContact CD1-CG1 3.57Å; L621-V625 HydrophobicContact CD1-CG2 4.24Å; L621-V625 WeakPolarHBondContact O-CG2 3.24Å; L621-V625 PolarHBondContact O-N 3.46Å; L622-V625 PolarHBondContact O-N 2.91Å; T623-V625 VanDerWaalsContact C-N 3.34Å; T623-V625 PolarHBondContact O-N 3.23Å; V625-C628 WeakPolarHBondContact O-CB 3.17Å; V625-C628 PolarHBondContact O-N 3.39Å; V625-L629 WeakPolarHBondContact O-CB 3.26Å; V625-L629 PolarHBondContact O-N 2.88Å
626L95Very high92.2Very high0 Ų033 Ų330%017%0.174CC..Hα-helixtrans-62-44.4177.8-65.9175.8000111.1L27 L67 F70 I567 L622 T623 C628 L629 T630L27-L626 HydrophobicContact CD1-CD2 4.41Å; L67-L626 HydrophobicContact CD2-CD2 3.92Å; F70-L626 HydrophobicContact CD1-CD1 4Å; F70-L626 HydrophobicContact CE1-CD1 4.07Å; I567-L626 HydrophobicContact CD1-CD2 3.79Å; I567-L626 HydrophobicContact CG1-CD2 4.17Å; L622-L626 HydrophobicContact CD1-CD1 3.89Å; L622-L626 HydrophobicContact CD1-CD2 4.47Å; L622-L626 HydrophobicContact CD1-CG 4.06Å; L622-L626 HydrophobicContact CG-CD1 4.04Å; L622-L626 VanDerWaalsContact O-CG 3.28Å; L622-L626 WeakPolarHBondContact O-CG 3.47Å; L622-L626 PolarHBondContact O-N 3.01Å; T623-L626 PolarHBondContact O-N 2.66Å; L626-C628 VanDerWaalsContact C-N 3.33Å; L626-C628 PolarHBondContact O-N 3.24Å; L626-L629 WeakPolarHBondContact O-CB 3.37Å; L626-L629 PolarHBondContact O-N 3.41Å; L626-L629 VanDerWaalsContact O-N 3.15Å; L626-T630 PolarHBondContact O-N 3.47Å; L626-T630 PolarHBondContact O-OG1 3.43Å
627Q94.1Very high91.8Very high92 Ų9239.3 Ų39.343%0.4321%0.205SC..Hα-helixtrans-60.7-40.3174.5-72.9174.5-8.900112.9T623 K631T623-Q627 HydrophobicContact CG2-CG 4.38Å; T623-Q627 WeakPolarHBondContact O-CB 3.41Å; T623-Q627 VanDerWaalsContact O-CG 3.23Å; T623-Q627 WeakPolarHBondContact O-CG 3.45Å; T623-Q627 PolarHBondContact O-N 3.16Å; Q627-K631 WeakPolarHBondContact O-CG 3.46Å; Q627-K631 PolarHBondContact O-N 3.24Å; Q627-K631 VanDerWaalsContact O-N 3.13Å
628C95.5Very high91.4Very high2 Ų244.2 Ų44.21%0.01423%0.231CC..Hα-helixtrans-64.7-42.4174.8-175.40000111.2C5 F20 S624 V625 L626 K631 I632C5-C628 HydrophobicContact CB-CB 3.97Å; C5-C628 VanDerWaalsContact SG-SG 3.64Å; F20-C628 HydrophobicContact CE1-CB 4.18Å; F20-C628 HydrophobicContact CZ-CB 3.64Å; S624-C628 WeakPolarHBondContact O-CB 3.37Å; S624-C628 PolarHBondContact O-N 2.97Å; V625-C628 WeakPolarHBondContact O-CB 3.17Å; V625-C628 PolarHBondContact O-N 3.39Å; L626-C628 VanDerWaalsContact C-N 3.33Å; L626-C628 PolarHBondContact O-N 3.24Å; C628-K631 WeakPolarHBondContact O-CB 3.5Å; C628-K631 PolarHBondContact O-N 3.27Å; C628-I632 WeakPolarHBondContact O-CG1 3.48Å; C628-I632 PolarHBondContact O-N 3.07Å
629L94.9Very high91.2Very high1 Ų148.6 Ų48.61%0.00525%0.254CS..Hα-helixtrans-62.3-48176.9-179.461.8000111.7L24 L27 L28 L31 L67 V625 L626 K631 I632 L633L24-L629 HydrophobicContact CD1-CB 4.06Å; L24-L629 HydrophobicContact CD1-CD1 4.15Å; L27-L629 HydrophobicContact CB-CD2 3.94Å; L27-L629 HydrophobicContact CD1-CD2 3.99Å; L27-L629 HydrophobicContact CG-CD2 4.38Å; L28-L629 HydrophobicContact CD2-CD1 3.59Å; L28-L629 HydrophobicContact CG-CD1 4.21Å; L31-L629 HydrophobicContact CD1-CD1 3.87Å; L31-L629 HydrophobicContact CD1-CD2 4.04Å; L31-L629 HydrophobicContact CD1-CG 4.37Å; L67-L629 HydrophobicContact CD1-CD2 3.75Å; L67-L629 HydrophobicContact CD1-CG 3.94Å; L67-L629 HydrophobicContact CD2-CD2 4.28Å; V625-L629 WeakPolarHBondContact O-CB 3.26Å; V625-L629 PolarHBondContact O-N 2.88Å; L626-L629 WeakPolarHBondContact O-CB 3.37Å; L626-L629 PolarHBondContact O-N 3.41Å; L626-L629 VanDerWaalsContact O-N 3.15Å; L629-K631 VanDerWaalsContact C-N 3.28Å; L629-K631 PolarHBondContact O-N 3.03Å; L629-I632 WeakPolarHBondContact O-CB 3.42Å; L629-I632 PolarHBondContact O-N 2.94Å; L629-L633 HydrophobicContact CD1-CD1 4.24Å; L629-L633 HydrophobicContact CD1-CD2 4.44Å; L629-L633 HydrophobicContact CD1-CG 4.1Å; L629-L633 HydrophobicContact CG-CD1 4.05Å; L629-L633 HydrophobicContact CG-CG 4.29Å; L629-L633 WeakPolarHBondContact O-CG 3.47Å; L629-L633 PolarHBondContact O-N 3.37Å
630T92.1Very high90.9Very high28 Ų2853 Ų5317%0.17228%0.284CS..Hα-helixtrans-50.9-49173.3-61.20000110.5S64 L626 I632 L633 T634S64-T630 WeakPolarHBondContact OG-CG2 3.47Å; L626-T630 PolarHBondContact O-N 3.47Å; L626-T630 PolarHBondContact O-OG1 3.43Å; T630-I632 PolarHBondContact O-N 3.35Å; T630-L633 PolarHBondContact O-N 3.33Å; T630-T634 WeakPolarHBondContact O-CG2 3.43Å; T630-T634 PolarHBondContact O-N 3.48Å; T630-T634 PolarHBondContact O-OG1 3.47Å
631K91.7Very high90.6Very high115 Ų11558.2 Ų58.250%0.532%0.317SS..Hα-helixtrans-60.1-42.2176.8-70.6176.4-178.6-176.10113M1 Q627 C628 L629 L633 T634 I635M1-K631 HydrophobicContact CE-CB 4.48Å; M1-K631 HydrophobicContact SD-CB 4.01Å; Q627-K631 WeakPolarHBondContact O-CG 3.46Å; Q627-K631 PolarHBondContact O-N 3.24Å; Q627-K631 VanDerWaalsContact O-N 3.13Å; C628-K631 WeakPolarHBondContact O-CB 3.5Å; C628-K631 PolarHBondContact O-N 3.27Å; L629-K631 VanDerWaalsContact C-N 3.28Å; L629-K631 PolarHBondContact O-N 3.03Å; K631-L633 VanDerWaalsContact C-N 3.35Å; K631-T634 WeakPolarHBondContact CA-OG1 2.9Å; K631-T634 PolarHBondContact O-N 3.03Å; K631-T634 PolarHBondContact O-OG1 3.45Å; K631-I635 WeakPolarHBondContact O-CG1 3.4Å
632I91.5Very high89.9Confident37 Ų3766.2 Ų66.219%0.1935%0.351CS..Hα-helixtrans-60.8-46.5175.7-66.4165.4000110.4M1 I2 L24 L28 C628 L629 T630 T634 I635M1-I632 HydrophobicContact CE-CB 4.14Å; M1-I632 HydrophobicContact CE-CD1 4.22Å; M1-I632 HydrophobicContact CE-CG1 3.15Å; I2-I632 HydrophobicContact CD1-CD1 4.14Å; I2-I632 HydrophobicContact CG1-CD1 4.15Å; L24-I632 HydrophobicContact CD1-CD1 4.04Å; L24-I632 HydrophobicContact CD2-CD1 4.03Å; L24-I632 HydrophobicContact CG-CD1 4.49Å; L28-I632 HydrophobicContact CD2-CG2 4.32Å; C628-I632 WeakPolarHBondContact O-CG1 3.48Å; C628-I632 PolarHBondContact O-N 3.07Å; L629-I632 WeakPolarHBondContact O-CB 3.42Å; L629-I632 PolarHBondContact O-N 2.94Å; T630-I632 PolarHBondContact O-N 3.35Å; I632-T634 VanDerWaalsContact C-N 3.26Å; I632-T634 PolarHBondContact O-N 3.49Å; I632-I635 PolarHBondContact O-N 2.97Å; I632-I635 VanDerWaalsContact O-N 3.16Å
633L88.1Confident89Confident15 Ų1577.4 Ų77.48%0.07939%0.393CS..Hα-helixtrans-69.8-22-176.4-65.8-177.6000113.5L31 W60 I63 L67 L629 T630 K631 I635L31-L633 HydrophobicContact CD1-CD1 4.06Å; L31-L633 HydrophobicContact CD1-CD2 4.21Å; W60-L633 HydrophobicContact CB-CB 4.37Å; W60-L633 WeakPolarHBondContact CB-O 3.31Å; W60-L633 HydrophobicContact CD2-CD2 4.03Å; W60-L633 HydrophobicContact CE3-CD2 3.58Å; W60-L633 HydrophobicContact CG-CD2 4.44Å; W60-L633 HydrophobicContact CZ3-CD2 4.16Å; I63-L633 HydrophobicContact CB-CD1 4.49Å; I63-L633 HydrophobicContact CG2-CD1 3.87Å; L67-L633 HydrophobicContact CD1-CD1 3.65Å; L629-L633 HydrophobicContact CD1-CD1 4.24Å; L629-L633 HydrophobicContact CD1-CD2 4.44Å; L629-L633 HydrophobicContact CD1-CG 4.1Å; L629-L633 HydrophobicContact CG-CD1 4.05Å; L629-L633 HydrophobicContact CG-CG 4.29Å; L629-L633 WeakPolarHBondContact O-CG 3.47Å; L629-L633 PolarHBondContact O-N 3.37Å; T630-L633 PolarHBondContact O-N 3.33Å; K631-L633 VanDerWaalsContact C-N 3.35Å; L633-I635 VanDerWaalsContact C-N 3.33Å
634T86.3Confident87.7Confident75 Ų7584.7 Ų84.746%0.4643%0.425SS..THydrogen-bonded Turntrans-81.6-6.5173.453.90000114.4T630 K631 I632 D636T630-T634 WeakPolarHBondContact O-CG2 3.43Å; T630-T634 PolarHBondContact O-N 3.48Å; T630-T634 PolarHBondContact O-OG1 3.47Å; K631-T634 WeakPolarHBondContact CA-OG1 2.9Å; K631-T634 PolarHBondContact O-N 3.03Å; K631-T634 PolarHBondContact O-OG1 3.45Å; I632-T634 VanDerWaalsContact C-N 3.26Å; I632-T634 PolarHBondContact O-N 3.49Å; T634-D636 PolarHBondContact O-N 3.11Å
635I86.6Confident86Confident86 Ų8689.2 Ų89.244%0.44145%0.454SS..  trans-83.5106.4177.9-63.7165.7000108.8M1 K631 I632 L633 V638M1-I635 HydrophobicContact CE-CD1 3.94Å; M1-I635 HydrophobicContact SD-CD1 3.94Å; K631-I635 WeakPolarHBondContact O-CG1 3.4Å; I632-I635 PolarHBondContact O-N 2.97Å; I632-I635 VanDerWaalsContact O-N 3.16Å; L633-I635 VanDerWaalsContact C-N 3.33Å; I635-V638 HydrophobicContact CG2-CG2 3.93Å
636D80.7Confident84.1Confident94 Ų9498 Ų9850%0.50350%0.495SS..  trans-84-28.4178.6-66.4-47.9000113.3C57 T634C57-D636 WeakPolarHBondContact CB-OD1 3.44Å; C57-D636 PolarHBondContact SG-OD1 2.79Å; T634-D636 PolarHBondContact O-N 3.11Å
637M82.1Confident82Confident140 Ų140106.7 Ų106.769%0.6953%0.533SS*.  trans-153.4138.5-175.7-171.7171.956.500111.9I639M637-I639 HydrophobicContact CE-CD1 3.56Å; M637-I639 HydrophobicContact CE-CG1 3.68Å; M637-I639 HydrophobicContact CG-CG1 4.14Å; M637-I639 HydrophobicContact SD-CG1 4.21Å
638V85.1Confident79.9Confident123 Ų123108 Ų10875%0.74555%0.547SS*.  trans-111.3109172.3-178.70000108.8I635I635-V638 HydrophobicContact CG2-CG2 3.93Å
639I87.8Confident77.5Confident120 Ų120115.1 Ų115.162%0.61558%0.58SS**  trans-94.2122.1179.2-50.7177.9000109M637 V641M637-I639 HydrophobicContact CE-CD1 3.56Å; M637-I639 HydrophobicContact CE-CG1 3.68Å; M637-I639 HydrophobicContact CG-CG1 4.14Å; M637-I639 HydrophobicContact SD-CG1 4.21Å; I639-V641 HydrophobicContact CG2-CG2 4.16Å
640T87.4Confident75Confident115 Ų115121 Ų12171%0.70661%0.611SS**  trans-95.6109.5172.6-560000109.7K642T640-K642 HydrophobicContact CG2-CG 4.4Å
641V86.1Confident72.7Confident128 Ų128127.9 Ų127.978%0.77664%0.642SS**  trans-93.9102.8173.2-175.50000108.7I639 R643I639-V641 HydrophobicContact CG2-CG2 4.16Å; V641-R643 PolarHBondContact O-N 3.1Å
642K81.3Confident70.5Confident177 Ų177129.4 Ų129.477%0.7766%0.655SS**  trans-76.2111.8171.9-69-174.8179.8-179.70108.6T640 H644T640-K642 HydrophobicContact CG2-CG 4.4Å; K642-H644 PolarHBondContact O-N 3.27Å
643R76.1Confident68.3Low239 Ų239132 Ų13290%0.90268%0.676SS**PPolyproline II helixtrans-66.1118.2170.4-150.1174.9-168.5174.72.1107.7V641V641-R643 PolarHBondContact O-N 3.1Å
644H66.6Low66.2Low169 Ų169140.1 Ų140.178%0.78271%0.714SS**PPolyproline II helixtrans-62.4133170.2-102.344.4000108.3K642 Q646K642-H644 PolarHBondContact O-N 3.27Å; H644-Q646 PolarHBondContact O-N 3.36Å
645P60.4Low64.1Low118 Ų118143.3 Ų143.377%0.76673%0.728SS**PPolyproline II helixtrans-59.1127.8172.323-29.2000108.2K647P645-K647 PolarHBondContact O-N 3.39Å; P645-K647 VanDerWaalsContact O-N 3.11Å
646Q56.5Low62Low184 Ų184147.7 Ų147.786%0.8675%0.747SS**PPolyproline II helixtrans-55.4119.7170.4-87.1171.9-48.700107.4H644 V648H644-Q646 PolarHBondContact O-N 3.36Å; Q646-V648 VanDerWaalsContact C-N 3.32Å; Q646-V648 PolarHBondContact O-N 3.14Å
647K51Low59.9Low183 Ų183155 Ų15580%0.79678%0.784SS**  trans-59.7102.8161.7-84.4-177.7174.6-178.30106P645 H649P645-K647 PolarHBondContact O-N 3.39Å; P645-K647 VanDerWaalsContact O-N 3.11Å; K647-H649 PolarHBondContact O-N 3.47Å
648V50.3Low58.8Low118 Ų118155.7 Ų155.772%0.71579%0.789SS**  trans-65.197.6159.3-178.20000104.5Q646 N650Q646-V648 VanDerWaalsContact C-N 3.32Å; Q646-V648 PolarHBondContact O-N 3.14Å; V648-N650 VanDerWaalsContact C-N 3.31Å; V648-N650 WeakPolarHBondContact CG1-OD1 3.35Å; V648-N650 PolarHBondContact O-N 3.14Å; V648-N650 VanDerWaalsContact O-N 3.12Å
649H43.9Very low57.4Low153 Ų153157.4 Ų157.471%0.70879%0.791SS**  trans-69.3101.2159.9-91.1-71.8000105.4K647 Q651K647-H649 PolarHBondContact O-N 3.47Å; H649-Q651 PolarHBondContact O-N 3.38Å
650N43.7Very low55.7Low123 Ų123159.5 Ų159.566%0.65880%0.801SS**  trans-61.697.1156.9-71.2-7.7000105.8V648 D652V648-N650 VanDerWaalsContact C-N 3.31Å; V648-N650 WeakPolarHBondContact CG1-OD1 3.35Å; V648-N650 PolarHBondContact O-N 3.14Å; V648-N650 VanDerWaalsContact O-N 3.12Å; N650-D652 PolarHBondContact O-N 3.21Å
651Q42.8Very low53.9Low174 Ų174162.1 Ų162.181%0.81381%0.807SS**  trans-78.979.7154.8-97.3176.6-34.600106.2H649 S653H649-Q651 PolarHBondContact O-N 3.38Å; Q651-S653 VanDerWaalsContact C-N 3.29Å; Q651-S653 PolarHBondContact O-N 3.2Å
652D47.1Very low51.9Low147 Ų147164.3 Ų164.379%0.78681%0.809SS**  trans-76.293.4148.9-67-38.1000105.3N650N650-D652 PolarHBondContact O-N 3.21Å
653S44.1Very low49.9Very low91 Ų91163.4 Ų163.464%0.63681%0.811SS**  trans-120.689.5156.957.90000106.3Q651Q651-S653 VanDerWaalsContact C-N 3.29Å; Q651-S653 PolarHBondContact O-N 3.2Å
654E43.9Very low48Very low185 Ų185158 Ų15886%0.86481%0.805SS**  trans-55.8126.6146.9-65.3-156.3157.800108.4
655D42.6Very low46.6Very low143 Ų143157.2 Ų157.277%0.76581%0.807SS**  trans-158.392.7154.4-85.1-31.6000103.7
656E43.2Very low45.5Very low178 Ų178160.4 Ų160.483%0.83281%0.81SS**  80.1119.496-81.3-165.716700114.7
657L36.4Very low44.4Very low246 Ų246158.3 Ų158.3100%1.28881%0.806SS**  trans88.30163.5-66.1163.7000120

Retrieved 657 of 657 residues in 640.4 ms (Link to these results)

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