A0A5K4EHZ1_SCHMA Loading...

ULP_PROTEASE domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EHZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 672 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
1M76.5Confident82.6Confident54 Ų5471 Ų7127%0.26634%0.343SS..  0-81.80-172104.8-72.600110.9R3 A4 L5 I27 W30 C46M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.75Å; M1-R3 VanDerWaalsContact O-N 3.09Å; M1-A4 WeakPolarHBondContact O-CA 3.39Å; M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 3.3Å; M1-L5 HydrophobicContact CG-CD1 3.96Å; M1-L5 PolarHBondContact O-N 3.44Å; M1-I27 HydrophobicContact CE-CG1 4.25Å; M1-I27 HydrophobicContact CE-CG2 4.05Å; M1-W30 HydrophobicContact CB-CZ2 4.47Å; M1-W30 HydrophobicContact CE-CD2 3.69Å; M1-W30 HydrophobicContact CE-CE3 3.18Å; M1-W30 HydrophobicContact CE-CG 4.27Å; M1-W30 HydrophobicContact CE-CH2 4.45Å; M1-W30 HydrophobicContact CE-CZ3 3.61Å; M1-W30 HydrophobicContact SD-CD2 4.13Å; M1-W30 HydrophobicContact SD-CE3 3.48Å; M1-W30 HydrophobicContact SD-CH2 3.64Å; M1-W30 HydrophobicContact SD-CZ2 4.28Å; M1-W30 HydrophobicContact SD-CZ3 3.18Å; M1-W30 WeakPolarHBondContact SD-CZ3 3.15Å; M1-C46 HydrophobicContact CE-CB 4.03Å; M1-C46 WeakPolarHBondContact CE-SG 3.35Å; M1-C46 HydrophobicContact CG-CB 4.32Å; M1-C46 HydrophobicContact SD-CB 3.31Å; M1-C46 WeakPolarHBondContact SD-CB 3.39Å; M1-C46 PolarHBondContact SD-SG 3.39Å
2D78.3Confident82.1Confident130 Ų13069.8 Ų69.870%0.69534%0.335SS*.Hα-helixtrans-55.4-39-158.6-37.8-30.7000115A4 L5 S6D2-A4 PolarHBondContact O-N 2.98Å; D2-L5 WeakPolarHBondContact O-CB 3.18Å; D2-L5 PolarHBondContact O-N 3.3Å; D2-S6 PolarHBondContact O-N 3.06Å
3R83.5Confident81.7Confident199 Ų19971.3 Ų71.375%0.75137%0.366SS*.Hα-helixtrans-58.1-48.1173.5-175.2175.8-178.9167.34.7112.1M1 L5 S6 D7M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.75Å; M1-R3 VanDerWaalsContact O-N 3.09Å; R3-L5 VanDerWaalsContact C-N 3.25Å; R3-L5 PolarHBondContact O-N 3.45Å; R3-S6 WeakPolarHBondContact O-CB 3.48Å; R3-S6 PolarHBondContact O-N 3.27Å; R3-S6 VanDerWaalsContact O-N 3.09Å; R3-D7 IonicContact NE-OD2 2.82Å; R3-D7 WeakPolarHBondContact O-CB 3.5Å; R3-D7 PolarHBondContact O-N 2.72Å
4A83.4Confident81.5Confident19 Ų1975.7 Ų75.716%0.15739%0.391CS..Hα-helixtrans-65.2-29177.600000112.4M1 D2 L8 L23 I27M1-A4 WeakPolarHBondContact O-CA 3.39Å; M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 3.3Å; D2-A4 PolarHBondContact O-N 2.98Å; A4-L8 WeakPolarHBondContact O-CB 3.45Å; A4-L8 PolarHBondContact O-N 2.93Å; A4-L23 HydrophobicContact CB-CD2 4.1Å; A4-I27 HydrophobicContact CB-CG1 4.29Å
5L82.2Confident81.1Confident21 Ų2173.9 Ų73.911%0.1140%0.398CS..Hα-helixtrans-71.8-35.5171.3-79.3171.7000112.8M1 D2 R3 R9 I27 C46 N49 V50M1-L5 HydrophobicContact CG-CD1 3.96Å; M1-L5 PolarHBondContact O-N 3.44Å; D2-L5 WeakPolarHBondContact O-CB 3.18Å; D2-L5 PolarHBondContact O-N 3.3Å; R3-L5 VanDerWaalsContact C-N 3.25Å; R3-L5 PolarHBondContact O-N 3.45Å; L5-R9 VanDerWaalsContact O-CG 3.3Å; L5-R9 WeakPolarHBondContact O-CG 3.31Å; L5-R9 PolarHBondContact O-N 3.2Å; L5-R9 VanDerWaalsContact O-N 3.08Å; L5-I27 HydrophobicContact CD2-CD1 4.04Å; L5-I27 HydrophobicContact CG-CD1 4.42Å; L5-C46 HydrophobicContact CD1-CB 4.06Å; L5-N49 HydrophobicContact CD2-CB 4.11Å; L5-V50 HydrophobicContact CD2-CG2 3.8Å
6S84.3Confident81.1Confident58 Ų5873.5 Ų73.541%0.40640%0.396SS..Hα-helixtrans-68-56.2172.5-162.30000110.4D2 R3 L8 R9 D10D2-S6 PolarHBondContact O-N 3.06Å; R3-S6 WeakPolarHBondContact O-CB 3.48Å; R3-S6 PolarHBondContact O-N 3.27Å; R3-S6 VanDerWaalsContact O-N 3.09Å; S6-L8 PolarHBondContact O-N 2.61Å; S6-L8 VanDerWaalsContact O-N 3.08Å; S6-R9 PolarHBondContact O-N 2.91Å; S6-D10 PolarHBondContact O-N 3.23Å; S6-D10 VanDerWaalsContact O-OD2 3.12Å; S6-D10 PolarHBondContact OG-OD2 3.15Å
7D86.1Confident80.9Confident63 Ų6372.3 Ų72.334%0.33739%0.389SS..Hα-helixtrans-51.6-36.7176.7-58.8-16.5000110.5R3 S11 L23R3-D7 IonicContact NE-OD2 2.82Å; R3-D7 WeakPolarHBondContact O-CB 3.5Å; R3-D7 PolarHBondContact O-N 2.72Å; D7-S11 WeakPolarHBondContact O-CB 3.49Å; D7-S11 PolarHBondContact O-N 2.8Å; D7-S11 PolarHBondContact O-OG 2.72Å; D7-L23 VanDerWaalsContact C-CD1 3.44Å; D7-L23 HydrophobicContact CB-CD1 3.69Å; D7-L23 HydrophobicContact CB-CD2 3.94Å
8L84Confident80.8Confident1 Ų174.7 Ų74.71%0.00540%0.402CS..Hα-helixtrans-66.7-55.8176.1-175.567.2000110.3A4 S6 D10 S11 F12 Q20 L23 I24 I27 V50 I53A4-L8 WeakPolarHBondContact O-CB 3.45Å; A4-L8 PolarHBondContact O-N 2.93Å; S6-L8 PolarHBondContact O-N 2.61Å; S6-L8 VanDerWaalsContact O-N 3.08Å; L8-D10 PolarHBondContact O-N 2.96Å; L8-S11 WeakPolarHBondContact CA-OG 3.45Å; L8-S11 CarbonylContact O-C 3.56Å; L8-S11 WeakPolarHBondContact O-CA 3.46Å; L8-S11 PolarHBondContact O-N 3.37Å; L8-S11 PolarHBondContact O-OG 3.45Å; L8-F12 HydrophobicContact CD1-CD2 4.24Å; L8-F12 HydrophobicContact CD1-CE2 3.8Å; L8-F12 HydrophobicContact CG-CD2 4.1Å; L8-F12 HydrophobicContact CG-CE2 3.97Å; L8-F12 VanDerWaalsContact O-CD2 3.28Å; L8-F12 WeakPolarHBondContact O-CD2 3.07Å; L8-F12 PolarHBondContact O-N 3.24Å; L8-Q20 HydrophobicContact CD1-CB 4.17Å; L8-Q20 HydrophobicContact CD1-CG 4.2Å; L8-L23 HydrophobicContact CB-CB 4.36Å; L8-L23 HydrophobicContact CB-CD1 4.19Å; L8-L23 HydrophobicContact CD1-CB 4Å; L8-L23 HydrophobicContact CD1-CD1 4.48Å; L8-I24 HydrophobicContact CD1-CD1 4.4Å; L8-I24 HydrophobicContact CD1-CG1 4.06Å; L8-I24 HydrophobicContact CD2-CG1 4.48Å; L8-I27 HydrophobicContact CD2-CD1 4Å; L8-V50 HydrophobicContact CD2-CG2 3.98Å; L8-I53 HydrophobicContact CD2-CD1 4Å; L8-I53 HydrophobicContact CG-CD1 4.2Å
9R82.4Confident80.9Confident143 Ų14373.7 Ų73.754%0.5440%0.399SS..Hα-helixtrans-55.2-35.1176.8-72.5168173.1-179.1-1.4113L5 S6 F12 A13 N49L5-R9 VanDerWaalsContact O-CG 3.3Å; L5-R9 WeakPolarHBondContact O-CG 3.31Å; L5-R9 PolarHBondContact O-N 3.2Å; L5-R9 VanDerWaalsContact O-N 3.08Å; S6-R9 PolarHBondContact O-N 2.91Å; R9-F12 WeakPolarHBondContact O-CB 3.26Å; R9-F12 PolarHBondContact O-N 3.47Å; R9-A13 PolarHBondContact O-N 2.98Å; R9-N49 PolarHBondContact NH2-OD1 2.86Å
10D84.4Confident80.9Confident87 Ų8770.2 Ų70.247%0.46538%0.379SS..Hα-helixtrans-73.7-39.8176.5-63.7-39.4000111.3S6 L8 F12 A13 N14S6-D10 PolarHBondContact O-N 3.23Å; S6-D10 VanDerWaalsContact O-OD2 3.12Å; S6-D10 PolarHBondContact OG-OD2 3.15Å; L8-D10 PolarHBondContact O-N 2.96Å; D10-F12 PolarHBondContact O-N 2.89Å; D10-A13 PolarHBondContact O-N 3.3Å; D10-A13 VanDerWaalsContact O-N 3.16Å; D10-N14 PolarHBondContact O-N 3.27Å; D10-N14 PolarHBondContact O-ND2 3.04Å
11S83.4Confident80.9Confident6 Ų668.9 Ų68.94%0.04237%0.371CS..Hα-helixtrans-64.5-24.4170.972.70000113.3D7 L8 N14 G15 D16 Q20D7-S11 WeakPolarHBondContact O-CB 3.49Å; D7-S11 PolarHBondContact O-N 2.8Å; D7-S11 PolarHBondContact O-OG 2.72Å; L8-S11 WeakPolarHBondContact CA-OG 3.45Å; L8-S11 CarbonylContact O-C 3.56Å; L8-S11 WeakPolarHBondContact O-CA 3.46Å; L8-S11 PolarHBondContact O-N 3.37Å; L8-S11 PolarHBondContact O-OG 3.45Å; S11-N14 PolarHBondContact O-N 3.27Å; S11-G15 PolarHBondContact O-N 3.09Å; S11-D16 PolarHBondContact O-N 3.38Å; S11-D16 VanDerWaalsContact O-N 3.14Å; S11-Q20 PolarHBondContact O-NE2 3.5Å; S11-Q20 WeakPolarHBondContact OG-CG 3.36Å
12F76.7Confident81.3Confident57 Ų5770.3 Ų70.325%0.2538%0.379CS..Hα-helixtrans-67.4-43.5169.4-94.2-82.4000112.8L8 R9 D10 N14 G15 Q20 I53 H57L8-F12 HydrophobicContact CD1-CD2 4.24Å; L8-F12 HydrophobicContact CD1-CE2 3.8Å; L8-F12 HydrophobicContact CG-CD2 4.1Å; L8-F12 HydrophobicContact CG-CE2 3.97Å; L8-F12 VanDerWaalsContact O-CD2 3.28Å; L8-F12 WeakPolarHBondContact O-CD2 3.07Å; L8-F12 PolarHBondContact O-N 3.24Å; R9-F12 WeakPolarHBondContact O-CB 3.26Å; R9-F12 PolarHBondContact O-N 3.47Å; D10-F12 PolarHBondContact O-N 2.89Å; F12-N14 PolarHBondContact O-N 2.87Å; F12-G15 PolarHBondContact O-N 3.24Å; F12-Q20 HydrophobicContact CD2-CG 4.17Å; F12-Q20 HydrophobicContact CE2-CG 3.78Å; F12-Q20 HydrophobicContact CZ-CG 4.17Å; F12-I53 HydrophobicContact CD1-CG1 4.27Å; F12-I53 HydrophobicContact CD2-CD1 3.56Å; F12-I53 HydrophobicContact CD2-CG1 3.89Å; F12-I53 HydrophobicContact CE1-CB 4.49Å; F12-I53 HydrophobicContact CE1-CG1 3.91Å; F12-I53 HydrophobicContact CE1-CG2 4.33Å; F12-I53 HydrophobicContact CE2-CB 4.12Å; F12-I53 HydrophobicContact CE2-CD1 3.47Å; F12-I53 VanDerWaalsContact CE2-CD1 3.47Å; F12-I53 HydrophobicContact CE2-CG1 3.55Å; F12-I53 HydrophobicContact CE2-CG2 3.55Å; F12-I53 HydrophobicContact CG-CD1 4.28Å; F12-I53 HydrophobicContact CG-CG1 4.29Å; F12-I53 HydrophobicContact CZ-CB 3.93Å; F12-I53 HydrophobicContact CZ-CD1 4.08Å; F12-I53 HydrophobicContact CZ-CG1 3.6Å; F12-I53 HydrophobicContact CZ-CG2 3.38Å; F12-H57 AromaticContact CE1-CD2 3.82Å; F12-H57 AromaticContact CE1-CE1 3.87Å; F12-H57 AromaticContact CE1-NE2 3.07Å; F12-H57 WeakPolarHBondContact CE1-NE2 3.39Å; F12-H57 AromaticContact CZ-CD2 3.7Å; F12-H57 AromaticContact CZ-NE2 3.09Å; F12-H57 WeakPolarHBondContact CZ-NE2 3.47Å
13A77.5Confident81.7Confident89 Ų8964.6 Ų64.674%0.73635%0.349SS*.Hα-helixtrans-64.3-30.4175.500000112.5R9 D10R9-A13 PolarHBondContact O-N 2.98Å; D10-A13 PolarHBondContact O-N 3.3Å; D10-A13 VanDerWaalsContact O-N 3.16Å
14N79Confident81.8Confident133 Ų13355.2 Ų55.271%0.71131%0.313SS*.Hα-helixtrans-89.9-12.2179.9-65.1-45.5000114.5D10 S11 F12 D16D10-N14 PolarHBondContact O-N 3.27Å; D10-N14 PolarHBondContact O-ND2 3.04Å; S11-N14 PolarHBondContact O-N 3.27Å; F12-N14 PolarHBondContact O-N 2.87Å; N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.9Å
15G75.2Confident81.8Confident49 Ų4955.8 Ų55.851%0.50532%0.315SS..THydrogen-bonded Turntrans70.419-177.700000115.1S11 F12 L17S11-G15 PolarHBondContact O-N 3.09Å; F12-G15 PolarHBondContact O-N 3.24Å; G15-L17 PolarHBondContact O-N 3.29Å; G15-L17 VanDerWaalsContact O-N 3.16Å
16D81.2Confident82Confident67 Ų6760.8 Ų60.836%0.35834%0.336SS..  trans-82.390.9-175.4-177.4-8.9000111.5S11 N14 D18 T19 Q20S11-D16 PolarHBondContact O-N 3.38Å; S11-D16 VanDerWaalsContact O-N 3.14Å; N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.9Å; D16-D18 VanDerWaalsContact C-N 3.29Å; D16-D18 PolarHBondContact O-N 2.86Å; D16-D18 PolarHBondContact OD1-N 3.14Å; D16-T19 VanDerWaalsContact CG-OG1 3.24Å; D16-T19 PolarHBondContact O-N 3.33Å; D16-T19 PolarHBondContact OD1-N 3.46Å; D16-T19 WeakPolarHBondContact OD2-CB 2.95Å; D16-T19 PolarHBondContact OD2-OG1 3.41Å; D16-Q20 WeakPolarHBondContact O-CB 3.31Å; D16-Q20 WeakPolarHBondContact O-CG 3.29Å; D16-Q20 PolarHBondContact O-N 3.31Å
17L77.1Confident82.1Confident53 Ų5358.1 Ų58.128%0.27732%0.317SS..Hα-helixtrans-62.5-32.2-178.4-58.5-177.6000113.5G15 Q20 H21 P63 L64G15-L17 PolarHBondContact O-N 3.29Å; G15-L17 VanDerWaalsContact O-N 3.16Å; L17-Q20 PolarHBondContact O-N 2.88Å; L17-H21 WeakPolarHBondContact O-CB 3.37Å; L17-H21 PolarHBondContact O-N 3.44Å; L17-P63 HydrophobicContact CD1-CB 4.25Å; L17-P63 HydrophobicContact CD1-CG 3.87Å; L17-L64 HydrophobicContact CD2-CD1 3.99Å; L17-L64 HydrophobicContact CD2-CG 4.45Å
18D78.8Confident82.2Confident116 Ų11656 Ų5662%0.6231%0.305SS*.Hα-helixtrans-74.9-42.9-177.7-67.5-22.9000109.7D16 H21 N22D16-D18 VanDerWaalsContact C-N 3.29Å; D16-D18 PolarHBondContact O-N 2.86Å; D16-D18 PolarHBondContact OD1-N 3.14Å; D18-H21 PolarHBondContact O-N 2.86Å; D18-N22 WeakPolarHBondContact O-CB 3.42Å; D18-N22 PolarHBondContact O-N 3.02Å; D18-N22 PolarHBondContact O-ND2 2.86Å
19T83.9Confident82.2Confident56 Ų5660 Ų6034%0.34433%0.326SS..Hα-helixtrans-63.7-41.6170.8-67.50000111.4D16 H21 N22 L23D16-T19 VanDerWaalsContact CG-OG1 3.24Å; D16-T19 PolarHBondContact O-N 3.33Å; D16-T19 PolarHBondContact OD1-N 3.46Å; D16-T19 WeakPolarHBondContact OD2-CB 2.95Å; D16-T19 PolarHBondContact OD2-OG1 3.41Å; T19-H21 PolarHBondContact O-N 2.91Å; T19-N22 PolarHBondContact O-N 3.34Å; T19-L23 HydrophobicContact CG2-CD1 3.58Å; T19-L23 HydrophobicContact CG2-CG 4.27Å; T19-L23 WeakPolarHBondContact O-CB 3.25Å; T19-L23 WeakPolarHBondContact O-CD1 3.43Å; T19-L23 VanDerWaalsContact O-CG 3.25Å; T19-L23 WeakPolarHBondContact O-CG 3.26Å; T19-L23 PolarHBondContact O-N 2.87Å
20Q80.8Confident82.4Confident2 Ų257.7 Ų57.71%0.00932%0.318CS..Hα-helixtrans-57.2-50.1175-72.2162.722.800111.2L8 S11 F12 D16 L17 N22 L23 I24 H57 L64L8-Q20 HydrophobicContact CD1-CB 4.17Å; L8-Q20 HydrophobicContact CD1-CG 4.2Å; S11-Q20 PolarHBondContact O-NE2 3.5Å; S11-Q20 WeakPolarHBondContact OG-CG 3.36Å; F12-Q20 HydrophobicContact CD2-CG 4.17Å; F12-Q20 HydrophobicContact CE2-CG 3.78Å; F12-Q20 HydrophobicContact CZ-CG 4.17Å; D16-Q20 WeakPolarHBondContact O-CB 3.31Å; D16-Q20 WeakPolarHBondContact O-CG 3.29Å; D16-Q20 PolarHBondContact O-N 3.31Å; L17-Q20 PolarHBondContact O-N 2.88Å; Q20-N22 PolarHBondContact O-N 3.37Å; Q20-L23 PolarHBondContact O-N 3.19Å; Q20-I24 HydrophobicContact CB-CD1 4.46Å; Q20-I24 WeakPolarHBondContact O-CB 3.47Å; Q20-I24 VanDerWaalsContact O-CD1 3.3Å; Q20-I24 WeakPolarHBondContact O-CD1 3.27Å; Q20-I24 WeakPolarHBondContact O-CG1 3.3Å; Q20-I24 PolarHBondContact O-N 3.01Å; Q20-H57 PolarHBondContact OE1-CE1 2.94Å; Q20-H57 PolarHBondContact OE1-NE2 2.67Å; Q20-H57 VanDerWaalsContact OE1-NE2 3.13Å; Q20-L64 HydrophobicContact CB-CD1 3.93Å; Q20-L64 VanDerWaalsContact OE1-CD1 3.25Å
21H80.4Confident82.4Confident43 Ų4353.5 Ų53.520%0.19930%0.296CS..Hα-helixtrans-56.9-51.5177.3-178.473.4000111.9L17 D18 T19 L23 I24 V25 L64 N69L17-H21 WeakPolarHBondContact O-CB 3.37Å; L17-H21 PolarHBondContact O-N 3.44Å; D18-H21 PolarHBondContact O-N 2.86Å; T19-H21 PolarHBondContact O-N 2.91Å; H21-L23 PolarHBondContact O-N 2.91Å; H21-I24 PolarHBondContact O-N 3.12Å; H21-I24 VanDerWaalsContact O-N 3.15Å; H21-V25 WeakPolarHBondContact O-CG2 3.46Å; H21-V25 PolarHBondContact O-N 3.18Å; H21-L64 HydrophobicContact CB-CD2 3.6Å; H21-N69 PolarHBondContact CE1-OD1 2.9Å; H21-N69 PolarHBondContact ND1-OD1 3.34Å
22N84.3Confident82.2Confident84 Ų8457.2 Ų57.245%0.44931%0.309SS..Hα-helixtrans-59.9-31.4-180-81.9-73.9000113.3D18 T19 Q20 K26D18-N22 WeakPolarHBondContact O-CB 3.42Å; D18-N22 PolarHBondContact O-N 3.02Å; D18-N22 PolarHBondContact O-ND2 2.86Å; T19-N22 PolarHBondContact O-N 3.34Å; Q20-N22 PolarHBondContact O-N 3.37Å; N22-K26 WeakPolarHBondContact O-CD 3.21Å; N22-K26 VanDerWaalsContact O-CG 3.24Å; N22-K26 WeakPolarHBondContact O-CG 3.43Å; N22-K26 PolarHBondContact O-N 3.46Å
23L86.3Confident81.9Confident10 Ų1059.7 Ų59.75%0.05233%0.328CS..Hα-helixtrans-80.5-36.5176.5-70.6168.9000112.4A4 D7 L8 T19 Q20 H21 K26 I27A4-L23 HydrophobicContact CB-CD2 4.1Å; D7-L23 VanDerWaalsContact C-CD1 3.44Å; D7-L23 HydrophobicContact CB-CD1 3.69Å; D7-L23 HydrophobicContact CB-CD2 3.94Å; L8-L23 HydrophobicContact CB-CB 4.36Å; L8-L23 HydrophobicContact CB-CD1 4.19Å; L8-L23 HydrophobicContact CD1-CB 4Å; L8-L23 HydrophobicContact CD1-CD1 4.48Å; T19-L23 HydrophobicContact CG2-CD1 3.58Å; T19-L23 HydrophobicContact CG2-CG 4.27Å; T19-L23 WeakPolarHBondContact O-CB 3.25Å; T19-L23 WeakPolarHBondContact O-CD1 3.43Å; T19-L23 VanDerWaalsContact O-CG 3.25Å; T19-L23 WeakPolarHBondContact O-CG 3.26Å; T19-L23 PolarHBondContact O-N 2.87Å; Q20-L23 PolarHBondContact O-N 3.19Å; H21-L23 PolarHBondContact O-N 2.91Å; L23-K26 HydrophobicContact CD2-CD 4.39Å; L23-K26 PolarHBondContact O-N 3.4Å; L23-I27 WeakPolarHBondContact O-CG1 3.15Å; L23-I27 PolarHBondContact O-N 3.48Å
24I85.6Confident81.3Confident2 Ų265 Ų651%0.0133%0.329CS..Hα-helixtrans-62.3-44.7172.9-69.9158.8000110.3L8 Q20 H21 K26 I27 E28 V50 L64 T72 W73 L76L8-I24 HydrophobicContact CD1-CD1 4.4Å; L8-I24 HydrophobicContact CD1-CG1 4.06Å; L8-I24 HydrophobicContact CD2-CG1 4.48Å; Q20-I24 HydrophobicContact CB-CD1 4.46Å; Q20-I24 WeakPolarHBondContact O-CB 3.47Å; Q20-I24 VanDerWaalsContact O-CD1 3.3Å; Q20-I24 WeakPolarHBondContact O-CD1 3.27Å; Q20-I24 WeakPolarHBondContact O-CG1 3.3Å; Q20-I24 PolarHBondContact O-N 3.01Å; H21-I24 PolarHBondContact O-N 3.12Å; H21-I24 VanDerWaalsContact O-N 3.15Å; I24-K26 VanDerWaalsContact C-N 3.35Å; I24-K26 PolarHBondContact O-N 3.24Å; I24-I27 PolarHBondContact O-N 3.25Å; I24-E28 WeakPolarHBondContact O-CB 3.42Å; I24-E28 PolarHBondContact O-N 2.87Å; I24-V50 HydrophobicContact CG1-CG1 4.46Å; I24-L64 HydrophobicContact CD1-CD2 4.45Å; I24-T72 HydrophobicContact CG2-CG2 3.99Å; I24-W73 HydrophobicContact CB-CH2 4.43Å; I24-W73 HydrophobicContact CD1-CH2 3.74Å; I24-W73 HydrophobicContact CD1-CZ2 3.86Å; I24-W73 HydrophobicContact CG1-CH2 4.07Å; I24-W73 HydrophobicContact CG2-CH2 3.49Å; I24-W73 VanDerWaalsContact CG2-CH2 3.49Å; I24-W73 HydrophobicContact CG2-CZ2 3.74Å; I24-W73 HydrophobicContact CG2-CZ3 4.06Å; I24-L76 HydrophobicContact CG2-CD1 3.71Å
25V84.1Confident81.5Confident31 Ų3160.2 Ų60.219%0.18830%0.303CS..Hα-helixtrans-62.5-38.6174.8173.10000111.9H21 I27 E28 N29 T72H21-V25 WeakPolarHBondContact O-CG2 3.46Å; H21-V25 PolarHBondContact O-N 3.18Å; V25-I27 PolarHBondContact O-N 3.49Å; V25-E28 PolarHBondContact O-N 2.98Å; V25-N29 WeakPolarHBondContact O-CB 3.46Å; V25-N29 PolarHBondContact O-N 3.27Å; V25-N29 PolarHBondContact O-ND2 3.35Å; V25-T72 HydrophobicContact CG2-CG2 4.04Å
26K85.8Confident81.9Confident127 Ų12760.8 Ų60.855%0.55230%0.295SS*.Hα-helixtrans-66-35.2173.9-75.1165.1-173.9169.40113N22 L23 I24 W30N22-K26 WeakPolarHBondContact O-CD 3.21Å; N22-K26 VanDerWaalsContact O-CG 3.24Å; N22-K26 WeakPolarHBondContact O-CG 3.43Å; N22-K26 PolarHBondContact O-N 3.46Å; L23-K26 HydrophobicContact CD2-CD 4.39Å; L23-K26 PolarHBondContact O-N 3.4Å; I24-K26 VanDerWaalsContact C-N 3.35Å; I24-K26 PolarHBondContact O-N 3.24Å; K26-W30 WeakPolarHBondContact O-CB 3.17Å; K26-W30 PolarHBondContact O-N 2.96Å
27I87.5Confident81.9Confident1 Ų159.5 Ų59.51%0.00529%0.293CS..Hα-helixtrans-70.9-42.1174.8-70166.8000110.2M1 A4 L5 L8 L23 I24 V25 W30 S31 C46 V50 L76M1-I27 HydrophobicContact CE-CG1 4.25Å; M1-I27 HydrophobicContact CE-CG2 4.05Å; A4-I27 HydrophobicContact CB-CG1 4.29Å; L5-I27 HydrophobicContact CD2-CD1 4.04Å; L5-I27 HydrophobicContact CG-CD1 4.42Å; L8-I27 HydrophobicContact CD2-CD1 4Å; L23-I27 WeakPolarHBondContact O-CG1 3.15Å; L23-I27 PolarHBondContact O-N 3.48Å; I24-I27 PolarHBondContact O-N 3.25Å; V25-I27 PolarHBondContact O-N 3.49Å; I27-W30 PolarHBondContact O-N 3.21Å; I27-S31 VanDerWaalsContact O-CB 3.32Å; I27-S31 WeakPolarHBondContact O-CB 3.5Å; I27-S31 PolarHBondContact O-N 2.9Å; I27-S31 PolarHBondContact O-OG 2.8Å; I27-S31 VanDerWaalsContact O-OG 3.07Å; I27-C46 VanDerWaalsContact CG2-SG 3.56Å; I27-V50 HydrophobicContact CD1-CG2 3.88Å; I27-V50 HydrophobicContact CG2-CG2 4.35Å; I27-L76 HydrophobicContact CG2-CD2 4.04Å
28E87Confident82.2Confident18 Ų1865 Ų658%0.08432%0.317CS..Hα-helixtrans-60.1-49.3176.9-178.1-92175.800112.3I24 V25 W30 S31 R32 T72 S75 L76I24-E28 WeakPolarHBondContact O-CB 3.42Å; I24-E28 PolarHBondContact O-N 2.87Å; V25-E28 PolarHBondContact O-N 2.98Å; E28-W30 PolarHBondContact O-N 3.2Å; E28-S31 PolarHBondContact O-N 2.83Å; E28-R32 PolarHBondContact O-N 3.28Å; E28-R32 WeakPolarHBondContact OE1-CD 3.41Å; E28-R32 IonicContact OE1-CZ 3.18Å; E28-R32 IonicContact OE1-NE 2.94Å; E28-R32 PolarHBondContact OE1-NE 3.25Å; E28-T72 HydrophobicContact CB-CG2 3.82Å; E28-T72 HydrophobicContact CG-CG2 3.82Å; E28-S75 WeakPolarHBondContact OE1-CB 3.37Å; E28-S75 PolarHBondContact OE1-OG 3.16Å; E28-L76 HydrophobicContact CB-CD1 4.27Å; E28-L76 HydrophobicContact CB-CD2 3.83Å; E28-L76 HydrophobicContact CB-CG 3.88Å; E28-L76 HydrophobicContact CG-CD2 4.39Å; E28-L76 HydrophobicContact CG-CG 4.05Å
29N86Confident82.6Confident85 Ų8560.5 Ų60.546%0.45529%0.293SS..Hα-helixtrans-58.7-48174.9-84.6-92.3000111.3V25 S31 R32 V33V25-N29 WeakPolarHBondContact O-CB 3.46Å; V25-N29 PolarHBondContact O-N 3.27Å; V25-N29 PolarHBondContact O-ND2 3.35Å; N29-S31 VanDerWaalsContact C-N 3.34Å; N29-S31 PolarHBondContact O-N 3.35Å; N29-R32 PolarHBondContact O-N 2.87Å; N29-R32 VanDerWaalsContact O-N 3.17Å; N29-V33 VanDerWaalsContact O-CG2 3.23Å; N29-V33 WeakPolarHBondContact O-CG2 3.41Å; N29-V33 PolarHBondContact O-N 2.87Å
30W84.9Confident82.7Confident95 Ų9557.8 Ų57.836%0.3628%0.277SS..Hα-helixtrans-61.2-41.7177.5-177.886.7000112.3M1 K26 I27 E28 R32 K42 I43M1-W30 HydrophobicContact CB-CZ2 4.47Å; M1-W30 HydrophobicContact CE-CD2 3.69Å; M1-W30 HydrophobicContact CE-CE3 3.18Å; M1-W30 HydrophobicContact CE-CG 4.27Å; M1-W30 HydrophobicContact CE-CH2 4.45Å; M1-W30 HydrophobicContact CE-CZ3 3.61Å; M1-W30 HydrophobicContact SD-CD2 4.13Å; M1-W30 HydrophobicContact SD-CE3 3.48Å; M1-W30 HydrophobicContact SD-CH2 3.64Å; M1-W30 HydrophobicContact SD-CZ2 4.28Å; M1-W30 HydrophobicContact SD-CZ3 3.18Å; M1-W30 WeakPolarHBondContact SD-CZ3 3.15Å; K26-W30 WeakPolarHBondContact O-CB 3.17Å; K26-W30 PolarHBondContact O-N 2.96Å; I27-W30 PolarHBondContact O-N 3.21Å; E28-W30 PolarHBondContact O-N 3.2Å; W30-R32 PolarHBondContact O-N 3.37Å; W30-K42 HydrophobicContact CH2-CB 4.18Å; W30-I43 HydrophobicContact CE3-CG1 4.33Å; W30-I43 HydrophobicContact CH2-CG1 3.89Å; W30-I43 HydrophobicContact CZ3-CB 4.38Å; W30-I43 HydrophobicContact CZ3-CD1 4.5Å; W30-I43 HydrophobicContact CZ3-CG1 3.42Å; W30-I43 VanDerWaalsContact CZ3-CG1 3.42Å
31S85.5Confident83Confident0 Ų061.7 Ų61.70%030%0.295CS..Hα-helixtrans-68.7-17.4178.1-68.70000113.8I27 E28 N29 I35 S79I27-S31 VanDerWaalsContact O-CB 3.32Å; I27-S31 WeakPolarHBondContact O-CB 3.5Å; I27-S31 PolarHBondContact O-N 2.9Å; I27-S31 PolarHBondContact O-OG 2.8Å; I27-S31 VanDerWaalsContact O-OG 3.07Å; E28-S31 PolarHBondContact O-N 2.83Å; N29-S31 VanDerWaalsContact C-N 3.34Å; N29-S31 PolarHBondContact O-N 3.35Å; S31-I35 VanDerWaalsContact O-CD1 3.29Å; S31-I35 WeakPolarHBondContact O-CD1 3.49Å; S31-I35 WeakPolarHBondContact O-CG1 3.45Å; S31-S79 PolarHBondContact O-OG 3.16Å
32R79.7Confident83.3Confident84 Ų8465.7 Ų65.732%0.31731%0.312SS..Hα-helixtrans-93.2-34.8174.3-79.7-176.2158.5-148.13.6114.6E28 N29 W30 R34 S75 Q124E28-R32 PolarHBondContact O-N 3.28Å; E28-R32 WeakPolarHBondContact OE1-CD 3.41Å; E28-R32 IonicContact OE1-CZ 3.18Å; E28-R32 IonicContact OE1-NE 2.94Å; E28-R32 PolarHBondContact OE1-NE 3.25Å; N29-R32 PolarHBondContact O-N 2.87Å; N29-R32 VanDerWaalsContact O-N 3.17Å; W30-R32 PolarHBondContact O-N 3.37Å; R32-R34 PolarHBondContact O-N 3.32Å; R32-R34 VanDerWaalsContact O-N 3.07Å; R32-S75 PolarHBondContact NE-OG 2.93Å; R32-S75 PolarHBondContact NH2-OG 3.5Å; R32-Q124 VanDerWaalsContact NH2-CD 3.32Å; R32-Q124 VanDerWaalsContact NH2-OE1 3.1Å
33V69.7Low83.5Confident109 Ų10961.7 Ų61.766%0.66129%0.291SS*.Hα-helixtrans-62.2-22.4-162.3155.10000115.3N29N29-V33 VanDerWaalsContact O-CG2 3.23Å; N29-V33 WeakPolarHBondContact O-CG2 3.41Å; N29-V33 PolarHBondContact O-N 2.87Å
34R65.1Low83.5Confident201 Ų20161.9 Ų61.976%0.75829%0.292SS*.  trans-165.7119.7156.9-94.7134.7-166.7-136.45107.8R32 N39R32-R34 PolarHBondContact O-N 3.32Å; R32-R34 VanDerWaalsContact O-N 3.07Å; R34-N39 PolarHBondContact O-ND2 3.13Å
35I82Confident83.6Confident32 Ų3265.5 Ų65.516%0.16431%0.311CS..  trans-99.6118.9169.3-49.5-174000108.2S31 I43 D82 L86S31-I35 VanDerWaalsContact O-CD1 3.29Å; S31-I35 WeakPolarHBondContact O-CD1 3.49Å; S31-I35 WeakPolarHBondContact O-CG1 3.45Å; I35-I43 HydrophobicContact CB-CD1 4.27Å; I35-I43 HydrophobicContact CG1-CD1 4.06Å; I35-I43 HydrophobicContact CG2-CD1 3.85Å; I35-D82 HydrophobicContact CD1-CB 3.84Å; I35-D82 HydrophobicContact CG2-CB 4.13Å; I35-L86 HydrophobicContact CG2-CD1 3.59Å
36D83.6Confident83.7Confident60 Ų6064.1 Ų64.132%0.32130%0.303SS..  trans-141.1175.1-1796552.6000111.3E38 N39 A40D36-E38 VanDerWaalsContact C-N 3.31Å; D36-E38 PolarHBondContact O-N 3.24Å; D36-E38 WeakPolarHBondContact OD1-CA 3.4Å; D36-E38 WeakPolarHBondContact OD1-CB 3.19Å; D36-E38 PolarHBondContact OD1-N 3.07Å; D36-N39 VanDerWaalsContact CG-CG 3.46Å; D36-N39 PolarHBondContact N-OD1 3.28Å; D36-N39 PolarHBondContact O-N 3.35Å; D36-N39 PolarHBondContact O-OD1 3.14Å; D36-N39 PolarHBondContact OD1-N 2.87Å; D36-N39 PolarHBondContact OD1-ND2 3.05Å; D36-N39 PolarHBondContact OD2-ND2 3.11Å; D36-A40 WeakPolarHBondContact O-CB 3.43Å; D36-A40 PolarHBondContact O-N 2.94Å
37A81.8Confident83.8Confident40 Ų4058 Ų5833%0.33128%0.276SS..THydrogen-bonded Turntrans-68.5-25.6-178.100000114.3H90A37-H90 VanDerWaalsContact CB-CE1 3.43Å; A37-H90 WeakPolarHBondContact CB-CE1 3.44Å; A37-H90 VanDerWaalsContact CB-NE2 3.27Å; A37-H90 WeakPolarHBondContact CB-NE2 3.36Å
38E83Confident83.7Confident168 Ų16862.7 Ų62.779%0.78529%0.294SS*.THydrogen-bonded Turntrans-82.2-22.4-177.8-53.4-174.7-175.400112.3D36 K42D36-E38 VanDerWaalsContact C-N 3.31Å; D36-E38 PolarHBondContact O-N 3.24Å; D36-E38 WeakPolarHBondContact OD1-CA 3.4Å; D36-E38 WeakPolarHBondContact OD1-CB 3.19Å; D36-E38 PolarHBondContact OD1-N 3.07Å; E38-K42 PolarHBondContact O-NZ 2.94Å
39N86.7Confident83.5Confident22 Ų2264.7 Ų64.712%0.11831%0.306CS..THydrogen-bonded Turntrans-111.3-16.5-179.776.134.7000114.4R34 D36 Q41 K42 I43R34-N39 PolarHBondContact O-ND2 3.13Å; D36-N39 VanDerWaalsContact CG-CG 3.46Å; D36-N39 PolarHBondContact N-OD1 3.28Å; D36-N39 PolarHBondContact O-N 3.35Å; D36-N39 PolarHBondContact O-OD1 3.14Å; D36-N39 PolarHBondContact OD1-N 2.87Å; D36-N39 PolarHBondContact OD1-ND2 3.05Å; D36-N39 PolarHBondContact OD2-ND2 3.11Å; N39-Q41 VanDerWaalsContact C-N 3.27Å; N39-Q41 PolarHBondContact O-N 3.44Å; N39-Q41 VanDerWaalsContact O-N 3.15Å; N39-K42 WeakPolarHBondContact O-CA 3.29Å; N39-K42 WeakPolarHBondContact O-CB 3.4Å; N39-K42 PolarHBondContact O-N 3.03Å; N39-I43 PolarHBondContact O-N 2.61Å; N39-I43 WeakPolarHBondContact OD1-CD1 3.23Å
40A87.1Confident83.4Confident0 Ų060.7 Ų60.70%028%0.284CS..Hα-helixtrans-51.1-41179.200000113.6D36 K42 I43 N44 S83 L86 L87D36-A40 WeakPolarHBondContact O-CB 3.43Å; D36-A40 PolarHBondContact O-N 2.94Å; A40-K42 PolarHBondContact O-N 2.95Å; A40-I43 PolarHBondContact O-N 3.33Å; A40-N44 VanDerWaalsContact O-CB 3.23Å; A40-N44 WeakPolarHBondContact O-CB 3.4Å; A40-N44 PolarHBondContact O-N 3.17Å; A40-S83 WeakPolarHBondContact O-CB 3.43Å; A40-L86 HydrophobicContact CB-CB 3.93Å; A40-L86 HydrophobicContact CB-CD1 4.3Å; A40-L87 HydrophobicContact CB-CD2 4.3Å; A40-L87 HydrophobicContact CB-CG 4.05Å
41Q87.1Confident83.1Confident83 Ų8356.4 Ų56.439%0.38827%0.268SS..Hα-helixtrans-62.5-43.5176.2-173.155.644.100111.9N39 N44 D45 L87N39-Q41 VanDerWaalsContact C-N 3.27Å; N39-Q41 PolarHBondContact O-N 3.44Å; N39-Q41 VanDerWaalsContact O-N 3.15Å; Q41-N44 PolarHBondContact O-N 3Å; Q41-D45 PolarHBondContact NE2-OD1 3.44Å; Q41-D45 PolarHBondContact NE2-OD2 3.1Å; Q41-D45 WeakPolarHBondContact O-CB 3.36Å; Q41-D45 VanDerWaalsContact O-CG 3.24Å; Q41-D45 PolarHBondContact O-N 3.07Å; Q41-L87 HydrophobicContact CB-CD2 3.93Å
42K86.9Confident82.7Confident127 Ų12759.8 Ų59.855%0.55229%0.291SS*.Hα-helixtrans-67.6-38.3179.7-60164.8-173.4140.30111.5W30 E38 N39 A40 C46W30-K42 HydrophobicContact CH2-CB 4.18Å; E38-K42 PolarHBondContact O-NZ 2.94Å; N39-K42 WeakPolarHBondContact O-CA 3.29Å; N39-K42 WeakPolarHBondContact O-CB 3.4Å; N39-K42 PolarHBondContact O-N 3.03Å; A40-K42 PolarHBondContact O-N 2.95Å; K42-C46 VanDerWaalsContact O-CB 3.26Å; K42-C46 WeakPolarHBondContact O-CB 3.49Å; K42-C46 PolarHBondContact O-N 3.46Å
43I87.8Confident82.2Confident1 Ų157 Ų571%0.00528%0.282CS..Hα-helixtrans-61.1-53.7171.7-69.1170.3000109.8W30 I35 N39 A40 D45 C46 L47W30-I43 HydrophobicContact CE3-CG1 4.33Å; W30-I43 HydrophobicContact CH2-CG1 3.89Å; W30-I43 HydrophobicContact CZ3-CB 4.38Å; W30-I43 HydrophobicContact CZ3-CD1 4.5Å; W30-I43 HydrophobicContact CZ3-CG1 3.42Å; W30-I43 VanDerWaalsContact CZ3-CG1 3.42Å; I35-I43 HydrophobicContact CB-CD1 4.27Å; I35-I43 HydrophobicContact CG1-CD1 4.06Å; I35-I43 HydrophobicContact CG2-CD1 3.85Å; N39-I43 PolarHBondContact O-N 2.61Å; N39-I43 WeakPolarHBondContact OD1-CD1 3.23Å; A40-I43 PolarHBondContact O-N 3.33Å; I43-D45 PolarHBondContact O-N 3.13Å; I43-C46 WeakPolarHBondContact O-CB 3.21Å; I43-C46 PolarHBondContact O-N 3.36Å; I43-L47 HydrophobicContact CG2-CD1 3.49Å; I43-L47 VanDerWaalsContact CG2-CD1 3.49Å; I43-L47 HydrophobicContact CG2-CG 4.27Å; I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 VanDerWaalsContact O-CG 3.24Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 3.25Å
44N87.1Confident82.2Confident13 Ų1352.1 Ų52.17%0.0725%0.251CS..Hα-helixtrans-57.8-47.6-179.8-176.442000111.9A40 Q41 C46 L47 Y48 K84 L87A40-N44 VanDerWaalsContact O-CB 3.23Å; A40-N44 WeakPolarHBondContact O-CB 3.4Å; A40-N44 PolarHBondContact O-N 3.17Å; Q41-N44 PolarHBondContact O-N 3Å; N44-C46 PolarHBondContact O-N 3.28Å; N44-L47 PolarHBondContact O-N 3.05Å; N44-Y48 WeakPolarHBondContact O-CB 3.39Å; N44-Y48 VanDerWaalsContact O-CD2 3.31Å; N44-Y48 WeakPolarHBondContact O-CD2 3.5Å; N44-Y48 PolarHBondContact O-N 3.09Å; N44-Y48 WeakPolarHBondContact OD1-CD2 3.18Å; N44-Y48 WeakPolarHBondContact OD1-CE2 3.4Å; N44-K84 WeakPolarHBondContact OD1-CE 3.46Å; N44-L87 HydrophobicContact CB-CD1 3.75Å; N44-L87 WeakPolarHBondContact ND2-CD1 3.45Å
45D86.4Confident82.4Confident78 Ų7847.9 Ų47.942%0.41724%0.236SC..Hα-helixtrans-63-39177.5-71.1-31.8000112.5Q41 I43 N49Q41-D45 PolarHBondContact NE2-OD1 3.44Å; Q41-D45 PolarHBondContact NE2-OD2 3.1Å; Q41-D45 WeakPolarHBondContact O-CB 3.36Å; Q41-D45 VanDerWaalsContact O-CG 3.24Å; Q41-D45 PolarHBondContact O-N 3.07Å; I43-D45 PolarHBondContact O-N 3.13Å; D45-N49 PolarHBondContact O-N 2.85Å; D45-N49 PolarHBondContact O-ND2 3.28Å
46C87.5Confident81.6Confident2 Ų248.7 Ų48.71%0.01425%0.245CC..Hα-helixtrans-64.4-49.4173.1174.60000112M1 L5 I27 K42 I43 N44 Y48 N49 V50M1-C46 HydrophobicContact CE-CB 4.03Å; M1-C46 WeakPolarHBondContact CE-SG 3.35Å; M1-C46 HydrophobicContact CG-CB 4.32Å; M1-C46 HydrophobicContact SD-CB 3.31Å; M1-C46 WeakPolarHBondContact SD-CB 3.39Å; M1-C46 PolarHBondContact SD-SG 3.39Å; L5-C46 HydrophobicContact CD1-CB 4.06Å; I27-C46 VanDerWaalsContact CG2-SG 3.56Å; K42-C46 VanDerWaalsContact O-CB 3.26Å; K42-C46 WeakPolarHBondContact O-CB 3.49Å; K42-C46 PolarHBondContact O-N 3.46Å; I43-C46 WeakPolarHBondContact O-CB 3.21Å; I43-C46 PolarHBondContact O-N 3.36Å; N44-C46 PolarHBondContact O-N 3.28Å; C46-Y48 VanDerWaalsContact C-N 3.27Å; C46-Y48 PolarHBondContact O-N 3.36Å; C46-N49 WeakPolarHBondContact O-CA 3.1Å; C46-N49 WeakPolarHBondContact O-CB 3.31Å; C46-N49 PolarHBondContact O-N 2.58Å; C46-V50 PolarHBondContact O-N 2.86Å; C46-V50 VanDerWaalsContact O-N 3.12Å
47L87.5Confident80.7Confident0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-67.4-30.5-177-64.1173.1000111.5I43 N44 N49 V50 L51 L76 F80I43-L47 HydrophobicContact CG2-CD1 3.49Å; I43-L47 VanDerWaalsContact CG2-CD1 3.49Å; I43-L47 HydrophobicContact CG2-CG 4.27Å; I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 VanDerWaalsContact O-CG 3.24Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 3.25Å; N44-L47 PolarHBondContact O-N 3.05Å; L47-N49 PolarHBondContact O-N 3.16Å; L47-V50 PolarHBondContact O-N 3.2Å; L47-V50 VanDerWaalsContact O-N 3.13Å; L47-L51 HydrophobicContact CB-CD1 4.35Å; L47-L51 WeakPolarHBondContact O-CB 3.21Å; L47-L51 WeakPolarHBondContact O-CG 3.4Å; L47-L51 PolarHBondContact O-N 3.14Å; L47-L76 HydrophobicContact CD2-CB 4.17Å; L47-L76 HydrophobicContact CD2-CD2 3.42Å; L47-L76 VanDerWaalsContact CD2-CD2 3.42Å; L47-L76 HydrophobicContact CD2-CG 4.39Å; L47-F80 HydrophobicContact CB-CB 4.45Å; L47-F80 HydrophobicContact CB-CD2 4.17Å; L47-F80 HydrophobicContact CD1-CB 3.78Å
48Y84.6Confident79.8Confident98 Ų9846.5 Ų46.538%0.38423%0.229SC..Hα-helixtrans-61.8-20.9167.2-91.5-56.7000114.5N44 C46 P52 F80 K84 M106N44-Y48 WeakPolarHBondContact O-CB 3.39Å; N44-Y48 VanDerWaalsContact O-CD2 3.31Å; N44-Y48 WeakPolarHBondContact O-CD2 3.5Å; N44-Y48 PolarHBondContact O-N 3.09Å; N44-Y48 WeakPolarHBondContact OD1-CD2 3.18Å; N44-Y48 WeakPolarHBondContact OD1-CE2 3.4Å; C46-Y48 VanDerWaalsContact C-N 3.27Å; C46-Y48 PolarHBondContact O-N 3.36Å; Y48-P52 VanDerWaalsContact O-CD 3.23Å; Y48-P52 WeakPolarHBondContact O-CD 3.39Å; Y48-P52 VanDerWaalsContact O-CG 3.27Å; Y48-P52 WeakPolarHBondContact O-CG 3.36Å; Y48-F80 HydrophobicContact CD2-CE2 4.42Å; Y48-F80 HydrophobicContact CE1-CE2 4.27Å; Y48-F80 HydrophobicContact CE1-CZ 4.42Å; Y48-F80 HydrophobicContact CE2-CE2 4.01Å; Y48-F80 AromaticContact CZ-CE2 3.9Å; Y48-K84 VanDerWaalsContact OH-CE 3.3Å; Y48-K84 WeakPolarHBondContact OH-CE 3.4Å; Y48-K84 PolarHBondContact OH-NZ 2.76Å; Y48-M106 HydrophobicContact CE1-CE 4.29Å
49N82.8Confident78.6Confident61 Ų6143.6 Ų43.633%0.32621%0.214SC..Hα-helixtrans-88.7-30.3171.2-75.5-90.4000112.9L5 R9 D45 C46 L47L5-N49 HydrophobicContact CD2-CB 4.11Å; R9-N49 PolarHBondContact NH2-OD1 2.86Å; D45-N49 PolarHBondContact O-N 2.85Å; D45-N49 PolarHBondContact O-ND2 3.28Å; C46-N49 WeakPolarHBondContact O-CA 3.1Å; C46-N49 WeakPolarHBondContact O-CB 3.31Å; C46-N49 PolarHBondContact O-N 2.58Å; L47-N49 PolarHBondContact O-N 3.16Å
50V83.8Confident77.2Confident0 Ų049.4 Ų49.40%024%0.24CC..Hα-helixtrans-91.1-35.1-173.9-179.50000113.2L5 L8 I24 I27 C46 L47 I53 Y54 W73L5-V50 HydrophobicContact CD2-CG2 3.8Å; L8-V50 HydrophobicContact CD2-CG2 3.98Å; I24-V50 HydrophobicContact CG1-CG1 4.46Å; I27-V50 HydrophobicContact CD1-CG2 3.88Å; I27-V50 HydrophobicContact CG2-CG2 4.35Å; C46-V50 PolarHBondContact O-N 2.86Å; C46-V50 VanDerWaalsContact O-N 3.12Å; L47-V50 PolarHBondContact O-N 3.2Å; L47-V50 VanDerWaalsContact O-N 3.13Å; V50-I53 WeakPolarHBondContact O-CB 3.38Å; V50-I53 WeakPolarHBondContact O-CG2 3.44Å; V50-I53 PolarHBondContact O-N 2.86Å; V50-I53 VanDerWaalsContact O-N 3.16Å; V50-Y54 PolarHBondContact O-N 2.73Å; V50-Y54 VanDerWaalsContact O-N 3.16Å; V50-W73 HydrophobicContact CG1-CH2 4.27Å; V50-W73 HydrophobicContact CG1-CZ3 4.06Å
51L80.2Confident75.9Confident5 Ų558.2 Ų58.23%0.02628%0.282CS..Hα-helixtrans-65.1-38.4179.8-66.6170.6000113.6L47 I53 Y54 Y55 L77 F80 M106L47-L51 HydrophobicContact CB-CD1 4.35Å; L47-L51 WeakPolarHBondContact O-CB 3.21Å; L47-L51 WeakPolarHBondContact O-CG 3.4Å; L47-L51 PolarHBondContact O-N 3.14Å; L51-I53 PolarHBondContact O-N 3.22Å; L51-Y54 PolarHBondContact O-N 2.97Å; L51-Y55 PolarHBondContact O-N 3.44Å; L51-L77 HydrophobicContact CD2-CD2 3.98Å; L51-F80 HydrophobicContact CD1-CB 4.34Å; L51-F80 HydrophobicContact CD1-CD1 4.34Å; L51-F80 HydrophobicContact CD1-CD2 4.02Å; L51-F80 HydrophobicContact CD1-CE2 4.37Å; L51-F80 HydrophobicContact CD1-CG 3.99Å; L51-M106 HydrophobicContact CD1-SD 3.99Å
52P75.6Confident74.7Confident72 Ų7254.8 Ų54.847%0.46827%0.267SS..Hα-helixtrans-65.5-26.7172.3-22.335000113.7Y48 Y55 S56Y48-P52 VanDerWaalsContact O-CD 3.23Å; Y48-P52 WeakPolarHBondContact O-CD 3.39Å; Y48-P52 VanDerWaalsContact O-CG 3.27Å; Y48-P52 WeakPolarHBondContact O-CG 3.36Å; P52-Y55 PolarHBondContact O-N 3.09Å; P52-S56 PolarHBondContact O-N 3.39Å
53I69.9Low73.4Confident25 Ų2551.4 Ų51.413%0.12826%0.258CS..Hα-helixtrans-67.6-43.5174.8-100.4165.1000110.5L8 F12 V50 L51 S56 H57L8-I53 HydrophobicContact CD2-CD1 4Å; L8-I53 HydrophobicContact CG-CD1 4.2Å; F12-I53 HydrophobicContact CD1-CG1 4.27Å; F12-I53 HydrophobicContact CD2-CD1 3.56Å; F12-I53 HydrophobicContact CD2-CG1 3.89Å; F12-I53 HydrophobicContact CE1-CB 4.49Å; F12-I53 HydrophobicContact CE1-CG1 3.91Å; F12-I53 HydrophobicContact CE1-CG2 4.33Å; F12-I53 HydrophobicContact CE2-CB 4.12Å; F12-I53 HydrophobicContact CE2-CD1 3.47Å; F12-I53 VanDerWaalsContact CE2-CD1 3.47Å; F12-I53 HydrophobicContact CE2-CG1 3.55Å; F12-I53 HydrophobicContact CE2-CG2 3.55Å; F12-I53 HydrophobicContact CG-CD1 4.28Å; F12-I53 HydrophobicContact CG-CG1 4.29Å; F12-I53 HydrophobicContact CZ-CB 3.93Å; F12-I53 HydrophobicContact CZ-CD1 4.08Å; F12-I53 HydrophobicContact CZ-CG1 3.6Å; F12-I53 HydrophobicContact CZ-CG2 3.38Å; V50-I53 WeakPolarHBondContact O-CB 3.38Å; V50-I53 WeakPolarHBondContact O-CG2 3.44Å; V50-I53 PolarHBondContact O-N 2.86Å; V50-I53 VanDerWaalsContact O-N 3.16Å; L51-I53 PolarHBondContact O-N 3.22Å; I53-S56 PolarHBondContact O-OG 3.22Å; I53-H57 PolarHBondContact O-CD2 3.37Å; I53-H57 PolarHBondContact O-N 2.65Å
54Y69.9Low72.1Confident6 Ų651.6 Ų51.62%0.02426%0.258CS..Hα-helixtrans-68.3-39.8172.7174-91.6000112.7V50 L51 S56 H57 S58 C65 W73 T110V50-Y54 PolarHBondContact O-N 2.73Å; V50-Y54 VanDerWaalsContact O-N 3.16Å; L51-Y54 PolarHBondContact O-N 2.97Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.26Å; Y54-H57 PolarHBondContact O-N 2.86Å; Y54-S58 WeakPolarHBondContact CD1-OG 3.49Å; Y54-S58 WeakPolarHBondContact CE1-OG 3.44Å; Y54-S58 VanDerWaalsContact CZ-OG 3.3Å; Y54-S58 PolarHBondContact O-N 3.01Å; Y54-S58 PolarHBondContact O-OG 3.12Å; Y54-C65 HydrophobicContact CE2-CB 4.07Å; Y54-C65 WeakPolarHBondContact CE2-SG 3.49Å; Y54-W73 AromaticContact CD2-CD1 3.88Å; Y54-W73 AromaticContact CD2-CD2 3.43Å; Y54-W73 HydrophobicContact CD2-CD2 3.43Å; Y54-W73 VanDerWaalsContact CD2-CD2 3.43Å; Y54-W73 AromaticContact CD2-CE2 3.16Å; Y54-W73 AromaticContact CD2-CE3 3.91Å; Y54-W73 HydrophobicContact CD2-CE3 3.91Å; Y54-W73 AromaticContact CD2-CG 3.94Å; Y54-W73 HydrophobicContact CD2-CG 3.94Å; Y54-W73 AromaticContact CD2-CH2 3.94Å; Y54-W73 HydrophobicContact CD2-CH2 3.94Å; Y54-W73 AromaticContact CD2-CZ2 3.45Å; Y54-W73 HydrophobicContact CD2-CZ2 3.45Å; Y54-W73 VanDerWaalsContact CD2-CZ2 3.45Å; Y54-W73 HydrophobicContact CD2-CZ3 4.14Å; Y54-W73 AromaticContact CD2-NE1 3.42Å; Y54-W73 AromaticContact CE2-CD1 3.43Å; Y54-W73 VanDerWaalsContact CE2-CD1 3.43Å; Y54-W73 AromaticContact CE2-CD2 3.76Å; Y54-W73 HydrophobicContact CE2-CD2 3.76Å; Y54-W73 AromaticContact CE2-CE2 3.6Å; Y54-W73 AromaticContact CE2-CG 3.72Å; Y54-W73 HydrophobicContact CE2-CG 3.72Å; Y54-W73 HydrophobicContact CE2-CZ2 4.3Å; Y54-W73 AromaticContact CE2-NE1 3.34Å; Y54-W73 VanDerWaalsContact CE2-NE1 3.34Å; Y54-W73 HydrophobicContact CG-CD2 4Å; Y54-W73 HydrophobicContact CG-CE3 4.01Å; Y54-W73 HydrophobicContact CG-CH2 4.19Å; Y54-W73 HydrophobicContact CG-CZ2 4.16Å; Y54-W73 HydrophobicContact CG-CZ3 4.11Å; Y54-T110 HydrophobicContact CD1-CG2 3.61Å; Y54-T110 HydrophobicContact CE1-CG2 3.46Å; Y54-T110 VanDerWaalsContact CE1-CG2 3.46Å; Y54-T110 WeakPolarHBondContact CE1-O 3.38Å; Y54-T110 HydrophobicContact CG-CG2 4.47Å; Y54-T110 VanDerWaalsContact CZ-O 3.27Å; Y54-T110 PolarHBondContact OH-O 3.23Å
55Y68.3Low70.8Confident112 Ų11251.9 Ų51.944%0.43926%0.261SS..Hα-helixtrans-53.7-49.6177.8175.6-90.6000111L51 P52 H57 S58 F59 F109L51-Y55 PolarHBondContact O-N 3.44Å; P52-Y55 PolarHBondContact O-N 3.09Å; Y55-H57 PolarHBondContact O-N 3.32Å; Y55-S58 WeakPolarHBondContact O-CB 3.42Å; Y55-S58 PolarHBondContact O-N 3.19Å; Y55-F59 HydrophobicContact CD1-CD2 4.44Å; Y55-F59 AromaticContact CD1-CE2 3.83Å; Y55-F59 HydrophobicContact CD1-CE2 3.83Å; Y55-F59 AromaticContact CD2-CE2 3.95Å; Y55-F59 HydrophobicContact CD2-CE2 3.95Å; Y55-F59 HydrophobicContact CE1-CD2 4.31Å; Y55-F59 AromaticContact CE1-CE2 3.47Å; Y55-F59 HydrophobicContact CE1-CE2 3.47Å; Y55-F59 VanDerWaalsContact CE1-CE2 3.47Å; Y55-F59 HydrophobicContact CE1-CZ 4.16Å; Y55-F59 AromaticContact CE2-CE2 3.61Å; Y55-F59 HydrophobicContact CE2-CE2 3.61Å; Y55-F59 AromaticContact CE2-CZ 3.88Å; Y55-F59 HydrophobicContact CE2-CZ 3.88Å; Y55-F59 HydrophobicContact CG-CE2 4.06Å; Y55-F59 AromaticContact CZ-CE2 3.35Å; Y55-F59 AromaticContact CZ-CZ 3.63Å; Y55-F59 WeakPolarHBondContact O-CD2 3.49Å; Y55-F109 AromaticContact CD2-CD1 3.63Å; Y55-F109 HydrophobicContact CD2-CD1 3.63Å; Y55-F109 AromaticContact CD2-CE1 3.59Å; Y55-F109 HydrophobicContact CD2-CE1 3.59Å; Y55-F109 AromaticContact CE2-CD1 3.63Å; Y55-F109 HydrophobicContact CE2-CD1 3.63Å; Y55-F109 AromaticContact CE2-CE1 3.38Å; Y55-F109 HydrophobicContact CE2-CE1 3.38Å; Y55-F109 HydrophobicContact CE2-CZ 4.13Å
56S65.5Low69.6Low50 Ų5055 Ų5535%0.3527%0.267SS..Hα-helixtrans-63.8-39.2179.363.60000113.1P52 I53 Y54 S58 H60P52-S56 PolarHBondContact O-N 3.39Å; I53-S56 PolarHBondContact O-OG 3.22Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.26Å; S56-S58 VanDerWaalsContact C-N 3.31Å; S56-S58 PolarHBondContact O-N 3.28Å; S56-H60 PolarHBondContact O-CD2 3.12Å
57H66.2Low68.2Low22 Ų2258.1 Ų58.110%0.10229%0.289CS..Hα-helixtrans-65.3-30.9175.3-78.6-57.3000114.2F12 Q20 I53 Y54 Y55 F59 H60 C62 L64 C65F12-H57 AromaticContact CE1-CD2 3.82Å; F12-H57 AromaticContact CE1-CE1 3.87Å; F12-H57 AromaticContact CE1-NE2 3.07Å; F12-H57 WeakPolarHBondContact CE1-NE2 3.39Å; F12-H57 AromaticContact CZ-CD2 3.7Å; F12-H57 AromaticContact CZ-NE2 3.09Å; F12-H57 WeakPolarHBondContact CZ-NE2 3.47Å; Q20-H57 PolarHBondContact OE1-CE1 2.94Å; Q20-H57 PolarHBondContact OE1-NE2 2.67Å; Q20-H57 VanDerWaalsContact OE1-NE2 3.13Å; I53-H57 PolarHBondContact O-CD2 3.37Å; I53-H57 PolarHBondContact O-N 2.65Å; Y54-H57 PolarHBondContact O-N 2.86Å; Y55-H57 PolarHBondContact O-N 3.32Å; H57-F59 PolarHBondContact O-N 3.1Å; H57-H60 PolarHBondContact O-N 3.01Å; H57-C62 HydrophobicContact CB-CB 3.67Å; H57-C62 PolarHBondContact ND1-SG 2.7Å; H57-C62 VanDerWaalsContact O-CB 3.29Å; H57-C62 WeakPolarHBondContact O-CB 3.48Å; H57-C62 PolarHBondContact O-N 3.1Å; H57-L64 WeakPolarHBondContact NE2-CD1 3.47Å; H57-C65 VanDerWaalsContact C-SG 3.55Å; H57-C65 VanDerWaalsContact CB-SG 3.56Å
58S62.5Low67Low31 Ų3163.2 Ų63.222%0.21732%0.316CS..Hα-helixtrans-66.7-35-176.3-59.90000112.7Y54 Y55 S56 H60 C65Y54-S58 WeakPolarHBondContact CD1-OG 3.49Å; Y54-S58 WeakPolarHBondContact CE1-OG 3.44Å; Y54-S58 VanDerWaalsContact CZ-OG 3.3Å; Y54-S58 PolarHBondContact O-N 3.01Å; Y54-S58 PolarHBondContact O-OG 3.12Å; Y55-S58 WeakPolarHBondContact O-CB 3.42Å; Y55-S58 PolarHBondContact O-N 3.19Å; S56-S58 VanDerWaalsContact C-N 3.31Å; S56-S58 PolarHBondContact O-N 3.28Å; S58-H60 PolarHBondContact O-N 3.08Å; S58-C65 PolarHBondContact N-SG 3.46Å; S58-C65 PolarHBondContact OG-SG 3.12Å
59F56.8Low66.3Low107 Ų10759.3 Ų59.347%0.46930%0.302SS..THydrogen-bonded Turntrans-73.7-4.9173.7-64.9-87.9000114.1Y55 H57 F109Y55-F59 HydrophobicContact CD1-CD2 4.44Å; Y55-F59 AromaticContact CD1-CE2 3.83Å; Y55-F59 HydrophobicContact CD1-CE2 3.83Å; Y55-F59 AromaticContact CD2-CE2 3.95Å; Y55-F59 HydrophobicContact CD2-CE2 3.95Å; Y55-F59 HydrophobicContact CE1-CD2 4.31Å; Y55-F59 AromaticContact CE1-CE2 3.47Å; Y55-F59 HydrophobicContact CE1-CE2 3.47Å; Y55-F59 VanDerWaalsContact CE1-CE2 3.47Å; Y55-F59 HydrophobicContact CE1-CZ 4.16Å; Y55-F59 AromaticContact CE2-CE2 3.61Å; Y55-F59 HydrophobicContact CE2-CE2 3.61Å; Y55-F59 AromaticContact CE2-CZ 3.88Å; Y55-F59 HydrophobicContact CE2-CZ 3.88Å; Y55-F59 HydrophobicContact CG-CE2 4.06Å; Y55-F59 AromaticContact CZ-CE2 3.35Å; Y55-F59 AromaticContact CZ-CZ 3.63Å; Y55-F59 WeakPolarHBondContact O-CD2 3.49Å; H57-F59 PolarHBondContact O-N 3.1Å; F59-F109 AromaticContact CE1-CZ 3.91Å; F59-F109 HydrophobicContact CE1-CZ 3.91Å; F59-F109 AromaticContact CE2-CE1 3.81Å; F59-F109 HydrophobicContact CE2-CE1 3.81Å; F59-F109 HydrophobicContact CE2-CZ 4.02Å; F59-F109 AromaticContact CZ-CE1 3.59Å; F59-F109 HydrophobicContact CZ-CE1 3.59Å; F59-F109 HydrophobicContact CZ-CE2 4.47Å; F59-F109 AromaticContact CZ-CZ 3.31Å; F59-F109 HydrophobicContact CZ-CZ 3.31Å
60H57.9Low65.9Low144 Ų14457.7 Ų57.767%0.66729%0.291SS*.THydrogen-bonded Turntrans-117.214.5-173.3-64.7-28.7000112.8S56 H57 S58 C62S56-H60 PolarHBondContact O-CD2 3.12Å; H57-H60 PolarHBondContact O-N 3.01Å; S58-H60 PolarHBondContact O-N 3.08Å; H60-C62 PolarHBondContact O-N 2.83Å
61E60.6Low65.6Low186 Ų18659.7 Ų59.787%0.86930%0.302SS*.THydrogen-bonded Turntrans49.233.9-178-60.9-177.4173.600112.2
62C61.3Low65.7Low11 Ų1159.8 Ų59.87%0.07430%0.302CS..  trans-63.8146.4-167.9-169.40000111.5H57 H60 L64 C65H57-C62 HydrophobicContact CB-CB 3.67Å; H57-C62 PolarHBondContact ND1-SG 2.7Å; H57-C62 VanDerWaalsContact O-CB 3.29Å; H57-C62 WeakPolarHBondContact O-CB 3.48Å; H57-C62 PolarHBondContact O-N 3.1Å; H60-C62 PolarHBondContact O-N 2.83Å; C62-L64 PolarHBondContact O-N 3.38Å; C62-C65 PolarHBondContact O-N 3.48Å
63P59.7Low66Low56 Ų5656.6 Ų56.636%0.36428%0.281SS..G310 helixtrans-49.1-30.2168.7-31.936.6000115.1L17 C65 R66 N69L17-P63 HydrophobicContact CD1-CB 4.25Å; L17-P63 HydrophobicContact CD1-CG 3.87Å; P63-C65 PolarHBondContact O-N 3.01Å; P63-R66 WeakPolarHBondContact O-CB 3.35Å; P63-R66 WeakPolarHBondContact O-CG 3.41Å; P63-R66 PolarHBondContact O-N 3.06Å; P63-N69 PolarHBondContact O-ND2 3Å
64L59.4Low66.9Low4 Ų455.4 Ų55.42%0.02128%0.275CS..G310 helixtrans-67.1-20.4175.4-70.6173.2000114.5L17 Q20 H21 I24 H57 C62 N69 W73L17-L64 HydrophobicContact CD2-CD1 3.99Å; L17-L64 HydrophobicContact CD2-CG 4.45Å; Q20-L64 HydrophobicContact CB-CD1 3.93Å; Q20-L64 VanDerWaalsContact OE1-CD1 3.25Å; H21-L64 HydrophobicContact CB-CD2 3.6Å; I24-L64 HydrophobicContact CD1-CD2 4.45Å; H57-L64 WeakPolarHBondContact NE2-CD1 3.47Å; C62-L64 PolarHBondContact O-N 3.38Å; L64-N69 VanDerWaalsContact C-ND2 3.34Å; L64-N69 WeakPolarHBondContact CA-ND2 3.49Å; L64-N69 WeakPolarHBondContact O-CB 3.34Å; L64-N69 PolarHBondContact O-ND2 2.78Å; L64-W73 PolarHBondContact O-NE1 3.27Å; L64-W73 VanDerWaalsContact O-NE1 3.09Å
65C60Low67.7Low19 Ų1955.2 Ų55.213%0.12828%0.275CS..G310 helixtrans-105.417-179.6-56.70000112.6Y54 H57 S58 C62 P63Y54-C65 HydrophobicContact CE2-CB 4.07Å; Y54-C65 WeakPolarHBondContact CE2-SG 3.49Å; H57-C65 VanDerWaalsContact C-SG 3.55Å; H57-C65 VanDerWaalsContact CB-SG 3.56Å; S58-C65 PolarHBondContact N-SG 3.46Å; S58-C65 PolarHBondContact OG-SG 3.12Å; C62-C65 PolarHBondContact O-N 3.48Å; P63-C65 PolarHBondContact O-N 3.01Å
66R62.5Low68.6Low145 Ų14549.9 Ų49.955%0.54725%0.254SS..SBendtrans-68.2159.9171.8-74.6176.2177.8179.81112P63 D68 N69P63-R66 WeakPolarHBondContact O-CB 3.35Å; P63-R66 WeakPolarHBondContact O-CG 3.41Å; P63-R66 PolarHBondContact O-N 3.06Å; R66-D68 PolarHBondContact O-N 3.37Å; R66-N69 PolarHBondContact O-N 3.34Å; R66-N69 VanDerWaalsContact O-N 3.08Å
67S58.2Low69.8Low67 Ų6747.5 Ų47.547%0.46924%0.237SC..G310 helixtrans-38.4-43.8171.438.20000113.8N69 Y70S67-N69 PolarHBondContact O-N 3.32Å; S67-Y70 WeakPolarHBondContact O-CD2 3.37Å; S67-Y70 PolarHBondContact O-N 2.86Å
68D61.8Low70.9Confident106 Ų10646.6 Ų46.657%0.56723%0.233SC*.G310 helixtrans-72.3-21.9-166-34.5-36.4000111.5R66R66-D68 PolarHBondContact O-N 3.37Å
69N69.9Low72.2Confident17 Ų1745.2 Ų45.29%0.09122%0.224CC..G310 helixtrans-96.5-7.1178.7-63.3-21.5000113.4H21 P63 L64 R66 S67 M71 T72 W73H21-N69 PolarHBondContact CE1-OD1 2.9Å; H21-N69 PolarHBondContact ND1-OD1 3.34Å; P63-N69 PolarHBondContact O-ND2 3Å; L64-N69 VanDerWaalsContact C-ND2 3.34Å; L64-N69 WeakPolarHBondContact CA-ND2 3.49Å; L64-N69 WeakPolarHBondContact O-CB 3.34Å; L64-N69 PolarHBondContact O-ND2 2.78Å; R66-N69 PolarHBondContact O-N 3.34Å; R66-N69 VanDerWaalsContact O-N 3.08Å; S67-N69 PolarHBondContact O-N 3.32Å; N69-M71 PolarHBondContact O-N 2.84Å; N69-M71 VanDerWaalsContact O-N 3.15Å; N69-T72 WeakPolarHBondContact O-CB 3.28Å; N69-T72 PolarHBondContact O-N 3.04Å; N69-W73 PolarHBondContact O-N 2.96Å; N69-W73 VanDerWaalsContact O-N 3.1Å
70Y74.7Confident73.7Confident26 Ų2640.1 Ų40.110%0.10220%0.201CC..Hα-helixtrans-57.8-32.7-178.1-76.3-50.8000112.1S67 T72 W73 T74 L111 E114 Y117S67-Y70 WeakPolarHBondContact O-CD2 3.37Å; S67-Y70 PolarHBondContact O-N 2.86Å; Y70-T72 PolarHBondContact O-N 2.61Å; Y70-W73 CarbonylContact O-C 3.6Å; Y70-W73 PolarHBondContact O-N 2.77Å; Y70-W73 VanDerWaalsContact O-N 3.16Å; Y70-T74 WeakPolarHBondContact O-CG2 3.22Å; Y70-T74 PolarHBondContact O-N 3.49Å; Y70-T74 PolarHBondContact O-OG1 3.29Å; Y70-L111 HydrophobicContact CD1-CD2 4.38Å; Y70-E114 HydrophobicContact CE2-CB 3.91Å; Y70-E114 HydrophobicContact CE2-CG 3.72Å; Y70-Y117 HydrophobicContact CD2-CE1 4.44Å; Y70-Y117 HydrophobicContact CD2-CE2 4.09Å; Y70-Y117 HydrophobicContact CG-CE1 4.44Å
71M77.2Confident75.2Confident43 Ų4333.3 Ų33.321%0.21217%0.17CC..Hα-helixtrans-61.7-44.1175.1-67.5-58.5-16600112.6N69 W73 T74 S75 W571N69-M71 PolarHBondContact O-N 2.84Å; N69-M71 VanDerWaalsContact O-N 3.15Å; M71-W73 VanDerWaalsContact C-N 3.26Å; M71-W73 PolarHBondContact O-N 3.15Å; M71-T74 PolarHBondContact O-N 3.4Å; M71-T74 PolarHBondContact O-OG1 2.75Å; M71-S75 PolarHBondContact O-N 3.11Å; M71-S75 PolarHBondContact O-OG 3.49Å; M71-W571 HydrophobicContact CE-CZ2 3.79Å
72T81.4Confident76.5Confident7 Ų724.4 Ų24.44%0.04313%0.128CC..Hα-helixtrans-62-37.3174.4-44.80000111I24 V25 E28 N69 Y70 S75 L76I24-T72 HydrophobicContact CG2-CG2 3.99Å; V25-T72 HydrophobicContact CG2-CG2 4.04Å; E28-T72 HydrophobicContact CB-CG2 3.82Å; E28-T72 HydrophobicContact CG-CG2 3.82Å; N69-T72 WeakPolarHBondContact O-CB 3.28Å; N69-T72 PolarHBondContact O-N 3.04Å; Y70-T72 PolarHBondContact O-N 2.61Å; T72-S75 WeakPolarHBondContact O-CB 3.08Å; T72-L76 HydrophobicContact CG2-CD1 4.27Å; T72-L76 WeakPolarHBondContact O-CD1 3.38Å; T72-L76 VanDerWaalsContact O-CG 3.26Å; T72-L76 WeakPolarHBondContact O-CG 3.49Å; T72-L76 PolarHBondContact O-N 2.84Å; T72-L76 VanDerWaalsContact O-N 3.11Å
73W83Confident77.7Confident4 Ų423.9 Ų23.92%0.01513%0.125CC..Hα-helixtrans-73.3-37.6177.1-63.7117.8000113.3I24 V50 Y54 L64 N69 Y70 M71 S75 L76 L77I24-W73 HydrophobicContact CB-CH2 4.43Å; I24-W73 HydrophobicContact CD1-CH2 3.74Å; I24-W73 HydrophobicContact CD1-CZ2 3.86Å; I24-W73 HydrophobicContact CG1-CH2 4.07Å; I24-W73 HydrophobicContact CG2-CH2 3.49Å; I24-W73 VanDerWaalsContact CG2-CH2 3.49Å; I24-W73 HydrophobicContact CG2-CZ2 3.74Å; I24-W73 HydrophobicContact CG2-CZ3 4.06Å; V50-W73 HydrophobicContact CG1-CH2 4.27Å; V50-W73 HydrophobicContact CG1-CZ3 4.06Å; Y54-W73 AromaticContact CD2-CD1 3.88Å; Y54-W73 AromaticContact CD2-CD2 3.43Å; Y54-W73 HydrophobicContact CD2-CD2 3.43Å; Y54-W73 VanDerWaalsContact CD2-CD2 3.43Å; Y54-W73 AromaticContact CD2-CE2 3.16Å; Y54-W73 AromaticContact CD2-CE3 3.91Å; Y54-W73 HydrophobicContact CD2-CE3 3.91Å; Y54-W73 AromaticContact CD2-CG 3.94Å; Y54-W73 HydrophobicContact CD2-CG 3.94Å; Y54-W73 AromaticContact CD2-CH2 3.94Å; Y54-W73 HydrophobicContact CD2-CH2 3.94Å; Y54-W73 AromaticContact CD2-CZ2 3.45Å; Y54-W73 HydrophobicContact CD2-CZ2 3.45Å; Y54-W73 VanDerWaalsContact CD2-CZ2 3.45Å; Y54-W73 HydrophobicContact CD2-CZ3 4.14Å; Y54-W73 AromaticContact CD2-NE1 3.42Å; Y54-W73 AromaticContact CE2-CD1 3.43Å; Y54-W73 VanDerWaalsContact CE2-CD1 3.43Å; Y54-W73 AromaticContact CE2-CD2 3.76Å; Y54-W73 HydrophobicContact CE2-CD2 3.76Å; Y54-W73 AromaticContact CE2-CE2 3.6Å; Y54-W73 AromaticContact CE2-CG 3.72Å; Y54-W73 HydrophobicContact CE2-CG 3.72Å; Y54-W73 HydrophobicContact CE2-CZ2 4.3Å; Y54-W73 AromaticContact CE2-NE1 3.34Å; Y54-W73 VanDerWaalsContact CE2-NE1 3.34Å; Y54-W73 HydrophobicContact CG-CD2 4Å; Y54-W73 HydrophobicContact CG-CE3 4.01Å; Y54-W73 HydrophobicContact CG-CH2 4.19Å; Y54-W73 HydrophobicContact CG-CZ2 4.16Å; Y54-W73 HydrophobicContact CG-CZ3 4.11Å; L64-W73 PolarHBondContact O-NE1 3.27Å; L64-W73 VanDerWaalsContact O-NE1 3.09Å; N69-W73 PolarHBondContact O-N 2.96Å; N69-W73 VanDerWaalsContact O-N 3.1Å; Y70-W73 CarbonylContact O-C 3.6Å; Y70-W73 PolarHBondContact O-N 2.77Å; Y70-W73 VanDerWaalsContact O-N 3.16Å; M71-W73 VanDerWaalsContact C-N 3.26Å; M71-W73 PolarHBondContact O-N 3.15Å; W73-S75 VanDerWaalsContact C-N 3.31Å; W73-S75 PolarHBondContact O-N 3.21Å; W73-L76 HydrophobicContact CD2-CD1 4.42Å; W73-L76 HydrophobicContact CE3-CD1 3.59Å; W73-L76 HydrophobicContact CH2-CD1 4.3Å; W73-L76 HydrophobicContact CZ3-CD1 3.51Å; W73-L76 PolarHBondContact O-N 2.98Å; W73-L77 WeakPolarHBondContact O-CB 3.48Å; W73-L77 VanDerWaalsContact O-CG 3.22Å; W73-L77 WeakPolarHBondContact O-CG 3.4Å; W73-L77 PolarHBondContact O-N 3.4Å
74T87.3Confident78.9Confident0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-66.2-36.3173.860.60000111.4Y70 M71 L77 A78 L111 Y117 D120 V121 Q124Y70-T74 WeakPolarHBondContact O-CG2 3.22Å; Y70-T74 PolarHBondContact O-N 3.49Å; Y70-T74 PolarHBondContact O-OG1 3.29Å; M71-T74 PolarHBondContact O-N 3.4Å; M71-T74 PolarHBondContact O-OG1 2.75Å; T74-L77 PolarHBondContact O-N 3.3Å; T74-A78 VanDerWaalsContact O-CB 3.28Å; T74-A78 WeakPolarHBondContact O-CB 3.32Å; T74-A78 PolarHBondContact O-N 2.71Å; T74-L111 HydrophobicContact CG2-CD2 4.2Å; T74-Y117 HydrophobicContact CG2-CD1 4.18Å; T74-D120 HydrophobicContact CG2-CB 3.9Å; T74-V121 HydrophobicContact CG2-CG2 3.85Å; T74-Q124 VanDerWaalsContact C-OE1 3.25Å; T74-Q124 PolarHBondContact OG1-NE2 3.11Å; T74-Q124 VanDerWaalsContact OG1-NE2 3.13Å; T74-Q124 PolarHBondContact OG1-OE1 3.48Å
75S86.7Confident80.1Confident3 Ų322.2 Ų22.22%0.02111%0.112CC..Hα-helixtrans-60.8-47.3172.9-65.90000112.7E28 R32 M71 T72 W73 A78 S79E28-S75 WeakPolarHBondContact OE1-CB 3.37Å; E28-S75 PolarHBondContact OE1-OG 3.16Å; R32-S75 PolarHBondContact NE-OG 2.93Å; R32-S75 PolarHBondContact NH2-OG 3.5Å; M71-S75 PolarHBondContact O-N 3.11Å; M71-S75 PolarHBondContact O-OG 3.49Å; T72-S75 WeakPolarHBondContact O-CB 3.08Å; W73-S75 VanDerWaalsContact C-N 3.31Å; W73-S75 PolarHBondContact O-N 3.21Å; S75-A78 PolarHBondContact O-N 3.38Å; S75-S79 WeakPolarHBondContact O-CB 3.47Å; S75-S79 PolarHBondContact O-N 3.15Å; S75-S79 PolarHBondContact O-OG 3.5Å
76L89.1Confident81.2Confident0 Ų022.6 Ų22.60%011%0.112CC..Hα-helixtrans-67.3-38179.8-71.1163.9000111.1I24 I27 E28 L47 T72 W73 F80I24-L76 HydrophobicContact CG2-CD1 3.71Å; I27-L76 HydrophobicContact CG2-CD2 4.04Å; E28-L76 HydrophobicContact CB-CD1 4.27Å; E28-L76 HydrophobicContact CB-CD2 3.83Å; E28-L76 HydrophobicContact CB-CG 3.88Å; E28-L76 HydrophobicContact CG-CD2 4.39Å; E28-L76 HydrophobicContact CG-CG 4.05Å; L47-L76 HydrophobicContact CD2-CB 4.17Å; L47-L76 HydrophobicContact CD2-CD2 3.42Å; L47-L76 VanDerWaalsContact CD2-CD2 3.42Å; L47-L76 HydrophobicContact CD2-CG 4.39Å; T72-L76 HydrophobicContact CG2-CD1 4.27Å; T72-L76 WeakPolarHBondContact O-CD1 3.38Å; T72-L76 VanDerWaalsContact O-CG 3.26Å; T72-L76 WeakPolarHBondContact O-CG 3.49Å; T72-L76 PolarHBondContact O-N 2.84Å; T72-L76 VanDerWaalsContact O-N 3.11Å; W73-L76 HydrophobicContact CD2-CD1 4.42Å; W73-L76 HydrophobicContact CE3-CD1 3.59Å; W73-L76 HydrophobicContact CH2-CD1 4.3Å; W73-L76 HydrophobicContact CZ3-CD1 3.51Å; W73-L76 PolarHBondContact O-N 2.98Å; L76-F80 WeakPolarHBondContact O-CB 3.41Å; L76-F80 PolarHBondContact O-N 2.95Å
77L89.2Confident82.2Confident0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-66.7-41.9173-72.1171000112.6L51 W73 T74 F80 L81 V107 T110 L111 V121L51-L77 HydrophobicContact CD2-CD2 3.98Å; W73-L77 WeakPolarHBondContact O-CB 3.48Å; W73-L77 VanDerWaalsContact O-CG 3.22Å; W73-L77 WeakPolarHBondContact O-CG 3.4Å; W73-L77 PolarHBondContact O-N 3.4Å; T74-L77 PolarHBondContact O-N 3.3Å; L77-F80 WeakPolarHBondContact O-CB 3.43Å; L77-F80 PolarHBondContact O-N 2.83Å; L77-L81 WeakPolarHBondContact O-CG 3.28Å; L77-L81 PolarHBondContact O-N 3.1Å; L77-V107 HydrophobicContact CD1-CG1 4.11Å; L77-V107 HydrophobicContact CD2-CB 4.32Å; L77-V107 HydrophobicContact CD2-CG1 4.32Å; L77-V107 HydrophobicContact CD2-CG2 4.11Å; L77-T110 HydrophobicContact CD1-CG2 3.64Å; L77-T110 HydrophobicContact CD2-CG2 3.96Å; L77-T110 HydrophobicContact CG-CG2 4Å; L77-L111 HydrophobicContact CD1-CD1 4.23Å; L77-L111 HydrophobicContact CD1-CD2 3.99Å; L77-L111 HydrophobicContact CD1-CG 3.91Å; L77-V121 HydrophobicContact CB-CG1 4.02Å; L77-V121 HydrophobicContact CB-CG2 3.92Å; L77-V121 HydrophobicContact CD1-CG2 3.96Å
78A89.6Confident83.1Confident2 Ų216.5 Ų16.52%0.0178%0.083CC..Hα-helixtrans-63.2-44.6175.500000111T74 S75 F80 L81 D82 V121 Q124 M125T74-A78 VanDerWaalsContact O-CB 3.28Å; T74-A78 WeakPolarHBondContact O-CB 3.32Å; T74-A78 PolarHBondContact O-N 2.71Å; S75-A78 PolarHBondContact O-N 3.38Å; A78-F80 VanDerWaalsContact C-N 3.32Å; A78-F80 PolarHBondContact O-N 3.44Å; A78-L81 PolarHBondContact O-N 3.04Å; A78-D82 WeakPolarHBondContact O-CB 3.35Å; A78-D82 PolarHBondContact O-N 3.46Å; A78-V121 HydrophobicContact CB-CG1 4.33Å; A78-Q124 HydrophobicContact CB-CB 3.84Å; A78-M125 HydrophobicContact CB-CG 3.89Å
79S89.5Confident83.8Confident3 Ų317.9 Ų17.92%0.0218%0.084CC..Hα-helixtrans-62.8-37.7175.5-53.90000112.3S31 S75 S83S31-S79 PolarHBondContact O-OG 3.16Å; S75-S79 WeakPolarHBondContact O-CB 3.47Å; S75-S79 PolarHBondContact O-N 3.15Å; S75-S79 PolarHBondContact O-OG 3.5Å; S79-S83 VanDerWaalsContact O-CB 3.3Å; S79-S83 WeakPolarHBondContact O-CB 3.31Å; S79-S83 PolarHBondContact O-N 3.42Å; S79-S83 PolarHBondContact O-OG 2.77Å
80F89.1Confident83.7Confident0 Ų022.8 Ų22.80%011%0.106CC..Hα-helixtrans-61.5-51.6173.8174.5-109.1000110.8L47 Y48 L51 L76 L77 A78 S83 K84 D103 M106L47-F80 HydrophobicContact CB-CB 4.45Å; L47-F80 HydrophobicContact CB-CD2 4.17Å; L47-F80 HydrophobicContact CD1-CB 3.78Å; Y48-F80 HydrophobicContact CD2-CE2 4.42Å; Y48-F80 HydrophobicContact CE1-CE2 4.27Å; Y48-F80 HydrophobicContact CE1-CZ 4.42Å; Y48-F80 HydrophobicContact CE2-CE2 4.01Å; Y48-F80 AromaticContact CZ-CE2 3.9Å; L51-F80 HydrophobicContact CD1-CB 4.34Å; L51-F80 HydrophobicContact CD1-CD1 4.34Å; L51-F80 HydrophobicContact CD1-CD2 4.02Å; L51-F80 HydrophobicContact CD1-CE2 4.37Å; L51-F80 HydrophobicContact CD1-CG 3.99Å; L76-F80 WeakPolarHBondContact O-CB 3.41Å; L76-F80 PolarHBondContact O-N 2.95Å; L77-F80 WeakPolarHBondContact O-CB 3.43Å; L77-F80 PolarHBondContact O-N 2.83Å; A78-F80 VanDerWaalsContact C-N 3.32Å; A78-F80 PolarHBondContact O-N 3.44Å; F80-S83 PolarHBondContact O-N 3.47Å; F80-S83 PolarHBondContact O-OG 3.09Å; F80-K84 HydrophobicContact CE1-CG 4.41Å; F80-K84 HydrophobicContact CE2-CG 4.39Å; F80-K84 VanDerWaalsContact CZ-CE 3.48Å; F80-K84 HydrophobicContact CZ-CG 4.27Å; F80-K84 WeakPolarHBondContact O-CG 3.42Å; F80-K84 PolarHBondContact O-N 3.26Å; F80-D103 HydrophobicContact CE1-CB 4.45Å; F80-M106 HydrophobicContact CE1-CE 4.31Å; F80-M106 HydrophobicContact CE1-SD 4.25Å; F80-M106 HydrophobicContact CZ-CE 3.96Å; F80-M106 HydrophobicContact CZ-SD 4.16Å
81L88.1Confident83.2Confident0 Ų026.9 Ų26.90%013%0.13CC..Hα-helixtrans-65.1-42.6-179.7-65.2173.8000112.3L77 A78 S83 K84 V85 F99 V107 V121 M125 F134L77-L81 WeakPolarHBondContact O-CG 3.28Å; L77-L81 PolarHBondContact O-N 3.1Å; A78-L81 PolarHBondContact O-N 3.04Å; L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 PolarHBondContact O-N 3.35Å; L81-K84 PolarHBondContact O-N 2.95Å; L81-V85 VanDerWaalsContact O-CG2 3.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.38Å; L81-V85 PolarHBondContact O-N 2.96Å; L81-F99 HydrophobicContact CB-CE1 4.09Å; L81-F99 HydrophobicContact CD2-CD1 3.65Å; L81-F99 HydrophobicContact CD2-CE1 3.66Å; L81-F99 HydrophobicContact CG-CE1 4.4Å; L81-V107 HydrophobicContact CD1-CG2 3.99Å; L81-V107 HydrophobicContact CD2-CG2 3.93Å; L81-V107 HydrophobicContact CG-CG2 4.15Å; L81-V121 HydrophobicContact CD1-CG1 3.76Å; L81-M125 HydrophobicContact CB-CE 3.49Å; L81-M125 VanDerWaalsContact CB-CE 3.49Å; L81-M125 HydrophobicContact CB-CG 4.46Å; L81-M125 HydrophobicContact CB-SD 3.7Å; L81-M125 HydrophobicContact CD1-SD 3.84Å; L81-M125 HydrophobicContact CG-SD 4.45Å; L81-F134 HydrophobicContact CD1-CD1 3.96Å; L81-F134 HydrophobicContact CD1-CE1 3.53Å; L81-F134 HydrophobicContact CD1-CE2 4.12Å; L81-F134 HydrophobicContact CD1-CG 4.44Å; L81-F134 HydrophobicContact CD1-CZ 3.62Å
82D87.8Confident82.1Confident0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-57.3-45.6173.3-79.7-22.5000111.4I35 A78 K84 V85 L86 M125 N126 T127I35-D82 HydrophobicContact CD1-CB 3.84Å; I35-D82 HydrophobicContact CG2-CB 4.13Å; A78-D82 WeakPolarHBondContact O-CB 3.35Å; A78-D82 PolarHBondContact O-N 3.46Å; D82-K84 PolarHBondContact O-N 2.97Å; D82-V85 PolarHBondContact O-N 3.39Å; D82-L86 WeakPolarHBondContact O-CG 3.01Å; D82-L86 PolarHBondContact O-N 3.26Å; D82-M125 WeakPolarHBondContact OD1-CB 3.26Å; D82-M125 WeakPolarHBondContact OD1-CE 3.31Å; D82-N126 VanDerWaalsContact CG-N 3.33Å; D82-N126 PolarHBondContact OD1-N 2.96Å; D82-N126 VanDerWaalsContact OD1-N 3.09Å; D82-N126 WeakPolarHBondContact OD2-CB 3.39Å; D82-N126 PolarHBondContact OD2-N 3.47Å; D82-N126 PolarHBondContact OD2-ND2 3.33Å; D82-T127 HydrophobicContact CB-CG2 3.93Å; D82-T127 VanDerWaalsContact OD1-CB 3.29Å; D82-T127 WeakPolarHBondContact OD1-CB 3.33Å; D82-T127 WeakPolarHBondContact OD1-CG2 3.26Å; D82-T127 PolarHBondContact OD1-N 2.93Å; D82-T127 PolarHBondContact OD1-OG1 3.14Å
83S87.5Confident80.6Confident0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-63.8-39.4178.376.40000112.4A40 S79 F80 L81 L86 L87A40-S83 WeakPolarHBondContact O-CB 3.43Å; S79-S83 VanDerWaalsContact O-CB 3.3Å; S79-S83 WeakPolarHBondContact O-CB 3.31Å; S79-S83 PolarHBondContact O-N 3.42Å; S79-S83 PolarHBondContact O-OG 2.77Å; F80-S83 PolarHBondContact O-N 3.47Å; F80-S83 PolarHBondContact O-OG 3.09Å; L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 PolarHBondContact O-N 3.35Å; S83-L86 PolarHBondContact O-N 3.04Å; S83-L87 WeakPolarHBondContact O-CB 3.29Å; S83-L87 WeakPolarHBondContact O-CD1 3.37Å; S83-L87 WeakPolarHBondContact O-CG 3.48Å; S83-L87 PolarHBondContact O-N 2.85Å
84K85.4Confident79Confident23 Ų2342.8 Ų42.810%0.122%0.218CC..Hα-helixtrans-61-46.3173.9-73.4-58.5-167.989.10111.9N44 Y48 F80 L81 D82 L86 L87 Q88 D103N44-K84 WeakPolarHBondContact OD1-CE 3.46Å; Y48-K84 VanDerWaalsContact OH-CE 3.3Å; Y48-K84 WeakPolarHBondContact OH-CE 3.4Å; Y48-K84 PolarHBondContact OH-NZ 2.76Å; F80-K84 HydrophobicContact CE1-CG 4.41Å; F80-K84 HydrophobicContact CE2-CG 4.39Å; F80-K84 VanDerWaalsContact CZ-CE 3.48Å; F80-K84 HydrophobicContact CZ-CG 4.27Å; F80-K84 WeakPolarHBondContact O-CG 3.42Å; F80-K84 PolarHBondContact O-N 3.26Å; L81-K84 PolarHBondContact O-N 2.95Å; D82-K84 PolarHBondContact O-N 2.97Å; K84-L86 PolarHBondContact O-N 2.92Å; K84-L87 PolarHBondContact O-N 3.36Å; K84-Q88 WeakPolarHBondContact O-CG 3.43Å; K84-Q88 PolarHBondContact O-N 3.03Å; K84-D103 IonicContact NZ-OD1 3.37Å; K84-D103 PolarHBondContact NZ-OD1 3.11Å; K84-D103 IonicContact NZ-OD2 3.36Å; K84-D103 PolarHBondContact NZ-OD2 2.84Å
85V83.7Confident77.2Confident2 Ų249.6 Ų49.61%0.01225%0.254CS..Hα-helixtrans-61.2-45.2-179.5170.80000111.3L81 D82 Q88 K89 L98 F99 M125 T127 L130 V131L81-V85 VanDerWaalsContact O-CG2 3.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.38Å; L81-V85 PolarHBondContact O-N 2.96Å; D82-V85 PolarHBondContact O-N 3.39Å; V85-Q88 PolarHBondContact O-N 3.12Å; V85-K89 WeakPolarHBondContact O-CB 3.35Å; V85-K89 PolarHBondContact O-N 3.18Å; V85-K89 VanDerWaalsContact O-N 3.07Å; V85-L98 HydrophobicContact CB-CD1 4.42Å; V85-L98 HydrophobicContact CG1-CD1 4.41Å; V85-L98 HydrophobicContact CG2-CD1 4.16Å; V85-L98 HydrophobicContact CG2-CD2 4.15Å; V85-L98 HydrophobicContact CG2-CG 4.14Å; V85-F99 HydrophobicContact CG2-CE1 3.73Å; V85-F99 HydrophobicContact CG2-CE2 4.36Å; V85-F99 HydrophobicContact CG2-CZ 3.37Å; V85-M125 HydrophobicContact CG2-CE 4.47Å; V85-T127 HydrophobicContact CB-CG2 4.38Å; V85-T127 HydrophobicContact CG1-CG2 4.2Å; V85-L130 HydrophobicContact CG1-CB 3.69Å; V85-L130 HydrophobicContact CG1-CD1 3.55Å; V85-L130 HydrophobicContact CG1-CG 4.26Å; V85-V131 HydrophobicContact CG1-CG2 4.31Å; V85-V131 HydrophobicContact CG2-CG2 3.7Å
86L84.2Confident75.7Confident26 Ų2654.7 Ų54.714%0.13629%0.29CS..Hα-helixtrans-64.6-43.1177.3-69.7165.9000111.9I35 A40 D82 S83 K84 K89 H90 T127I35-L86 HydrophobicContact CG2-CD1 3.59Å; A40-L86 HydrophobicContact CB-CB 3.93Å; A40-L86 HydrophobicContact CB-CD1 4.3Å; D82-L86 WeakPolarHBondContact O-CG 3.01Å; D82-L86 PolarHBondContact O-N 3.26Å; S83-L86 PolarHBondContact O-N 3.04Å; K84-L86 PolarHBondContact O-N 2.92Å; L86-K89 PolarHBondContact O-N 3.09Å; L86-H90 PolarHBondContact O-CD2 3.45Å; L86-H90 PolarHBondContact O-N 3.19Å; L86-T127 HydrophobicContact CD1-CG2 4.35Å; L86-T127 HydrophobicContact CD2-CG2 4.41Å; L86-T127 HydrophobicContact CG-CG2 4.07Å
87L82.5Confident74.4Confident23 Ų2359.1 Ų59.112%0.1231%0.313CS..Hα-helixtrans-64-41.9177.2-71.8168.9000112.6A40 Q41 N44 S83 K84 H90 N91A40-L87 HydrophobicContact CB-CD2 4.3Å; A40-L87 HydrophobicContact CB-CG 4.05Å; Q41-L87 HydrophobicContact CB-CD2 3.93Å; N44-L87 HydrophobicContact CB-CD1 3.75Å; N44-L87 WeakPolarHBondContact ND2-CD1 3.45Å; S83-L87 WeakPolarHBondContact O-CB 3.29Å; S83-L87 WeakPolarHBondContact O-CD1 3.37Å; S83-L87 WeakPolarHBondContact O-CG 3.48Å; S83-L87 PolarHBondContact O-N 2.85Å; K84-L87 PolarHBondContact O-N 3.36Å; L87-H90 PolarHBondContact O-N 2.99Å; L87-N91 PolarHBondContact O-N 3.28Å; L87-N91 PolarHBondContact O-ND2 3.42Å
88Q78.3Confident73.3Confident62 Ų6260.6 Ų60.629%0.2932%0.321SS..Hα-helixtrans-62-47174.8-69.6-140.328.400111.1K84 V85 H90 N91 D97 L98K84-Q88 WeakPolarHBondContact O-CG 3.43Å; K84-Q88 PolarHBondContact O-N 3.03Å; V85-Q88 PolarHBondContact O-N 3.12Å; Q88-H90 VanDerWaalsContact C-N 3.28Å; Q88-H90 PolarHBondContact O-N 3.06Å; Q88-N91 PolarHBondContact O-N 3.22Å; Q88-D97 PolarHBondContact NE2-O 3.11Å; Q88-L98 HydrophobicContact CB-CD1 3.97Å; Q88-L98 HydrophobicContact CG-CD1 4.26Å; Q88-L98 VanDerWaalsContact NE2-C 3.35Å; Q88-L98 PolarHBondContact NE2-O 3.33Å
89K75.7Confident72.6Confident134 Ų13461.2 Ų61.258%0.58332%0.323SS*.Hα-helixtrans-58.5-36.9179.2-173.2-179.4178.1-173.90113V85 L86 L130V85-K89 WeakPolarHBondContact O-CB 3.35Å; V85-K89 PolarHBondContact O-N 3.18Å; V85-K89 VanDerWaalsContact O-N 3.07Å; L86-K89 PolarHBondContact O-N 3.09Å; K89-L130 HydrophobicContact CD-CD1 4.24Å
90H67.9Low71.8Confident120 Ų12063.9 Ų63.956%0.55634%0.338SS*.Hα-helixtrans-81.6-23.8-178.7-86.5-99.2000114.9A37 L86 L87 Q88A37-H90 VanDerWaalsContact CB-CE1 3.43Å; A37-H90 WeakPolarHBondContact CB-CE1 3.44Å; A37-H90 VanDerWaalsContact CB-NE2 3.27Å; A37-H90 WeakPolarHBondContact CB-NE2 3.36Å; L86-H90 PolarHBondContact O-CD2 3.45Å; L86-H90 PolarHBondContact O-N 3.19Å; L87-H90 PolarHBondContact O-N 2.99Å; Q88-H90 VanDerWaalsContact C-N 3.28Å; Q88-H90 PolarHBondContact O-N 3.06Å
91N65Low71Confident112 Ų11268 Ų6860%0.59937%0.366SS*.Hα-helixtrans-87.4-6.4-178.8-74.9-64.4000114.4L87 Q88 H93L87-N91 PolarHBondContact O-N 3.28Å; L87-N91 PolarHBondContact O-ND2 3.42Å; Q88-N91 PolarHBondContact O-N 3.22Å; N91-H93 PolarHBondContact O-N 3.13Å
92S52.8Low70.5Confident88 Ų8875.5 Ų75.562%0.61540%0.399SS*.  trans50.1-8.1166.177.90000120.7
93H49.3Very low70Confident149 Ų14975.6 Ų75.669%0.6940%0.399SS*.SBendtrans-142139.2-176.6-64.9-67.7000112.6N91N91-H93 PolarHBondContact O-N 3.13Å
94N49.3Very low69.6Low152 Ų15276.9 Ų76.981%0.81341%0.406SS*.SBendtrans70.641.7157.1-52.5-19.2000118.7
95N51.2Low69.2Low142 Ų14279.7 Ų79.776%0.75943%0.427SS*.  trans-147.3140.7143.3-89.9-57.6000109.5
96S55Low68.9Low110 Ų11081.6 Ų81.677%0.76944%0.437SS*.  trans-89.4-21.2-177.847.50000114.1
97D62.2Low68.8Low93 Ų9380.3 Ų80.350%0.49743%0.43SS..  trans-109.6102.4-163.4-63.620.7000109.5Q88 F99Q88-D97 PolarHBondContact NE2-O 3.11Å; D97-F99 PolarHBondContact O-N 3.44Å
98L65.8Low68.6Low31 Ų3181.2 Ų81.216%0.16243%0.434CS..SBendtrans-56.6-34.4-178.5-171.762.4000112.4V85 Q88 L130V85-L98 HydrophobicContact CB-CD1 4.42Å; V85-L98 HydrophobicContact CG1-CD1 4.41Å; V85-L98 HydrophobicContact CG2-CD1 4.16Å; V85-L98 HydrophobicContact CG2-CD2 4.15Å; V85-L98 HydrophobicContact CG2-CG 4.14Å; Q88-L98 HydrophobicContact CB-CD1 3.97Å; Q88-L98 HydrophobicContact CG-CD1 4.26Å; Q88-L98 VanDerWaalsContact NE2-C 3.35Å; Q88-L98 PolarHBondContact NE2-O 3.33Å; L98-L130 WeakPolarHBondContact CD2-O 3.41Å
99F73.9Confident68.5Low15 Ų1582.1 Ų82.17%0.06644%0.437CS..SBendtrans-129.6114.3167.7-49.3-79.6000108.8L81 V85 D97 L104 M125 V131 E133 F134L81-F99 HydrophobicContact CB-CE1 4.09Å; L81-F99 HydrophobicContact CD2-CD1 3.65Å; L81-F99 HydrophobicContact CD2-CE1 3.66Å; L81-F99 HydrophobicContact CG-CE1 4.4Å; V85-F99 HydrophobicContact CG2-CE1 3.73Å; V85-F99 HydrophobicContact CG2-CE2 4.36Å; V85-F99 HydrophobicContact CG2-CZ 3.37Å; D97-F99 PolarHBondContact O-N 3.44Å; F99-L104 HydrophobicContact CB-CD1 4.47Å; F99-L104 HydrophobicContact CB-CD2 3.82Å; F99-L104 HydrophobicContact CB-CG 3.98Å; F99-L104 HydrophobicContact CG-CD2 4.34Å; F99-M125 HydrophobicContact CZ-CE 4.44Å; F99-V131 HydrophobicContact CE2-CB 4.4Å; F99-V131 HydrophobicContact CE2-CG1 3.73Å; F99-V131 HydrophobicContact CE2-CG2 4.3Å; F99-V131 HydrophobicContact CZ-CB 4.39Å; F99-V131 HydrophobicContact CZ-CG1 3.69Å; F99-V131 HydrophobicContact CZ-CG2 3.93Å; F99-E133 HydrophobicContact CD2-CB 4.45Å; F99-F134 HydrophobicContact CD2-CB 4.04Å; F99-F134 HydrophobicContact CE2-CB 3.87Å; F99-F134 HydrophobicContact CZ-CB 4.32Å
100N72.2Confident68.5Low60 Ų6076 Ų7632%0.32141%0.411SS..  trans-71.5157.9168.96077.1000109.9K102 D103 L104N100-K102 PolarHBondContact O-N 3.04Å; N100-K102 VanDerWaalsContact O-N 3.1Å; N100-K102 WeakPolarHBondContact OD1-CA 3.49Å; N100-K102 WeakPolarHBondContact OD1-CB 3.39Å; N100-K102 PolarHBondContact OD1-N 3.46Å; N100-K102 VanDerWaalsContact OD1-N 3.17Å; N100-D103 PolarHBondContact ND2-OD2 3.32Å; N100-D103 PolarHBondContact O-N 3.14Å; N100-D103 VanDerWaalsContact O-N 3.08Å; N100-D103 PolarHBondContact OD1-N 3.45Å; N100-L104 PolarHBondContact O-N 2.68Å
101S72.9Confident68.9Low86 Ų8670.3 Ų70.360%0.60138%0.384SS*.Hα-helixtrans-58.9-25.4-178.857.70000114.1C105S101-C105 VanDerWaalsContact O-CB 3.25Å; S101-C105 WeakPolarHBondContact O-CB 3.25Å; S101-C105 PolarHBondContact O-N 2.82Å; S101-C105 PolarHBondContact O-SG 2.71Å
102K77.7Confident69.1Low157 Ų15767.6 Ų67.668%0.68337%0.374SS*.Hα-helixtrans-72.6-39.4176.1177.6-175.7174.9-174.50112.1N100 M106N100-K102 PolarHBondContact O-N 3.04Å; N100-K102 VanDerWaalsContact O-N 3.1Å; N100-K102 WeakPolarHBondContact OD1-CA 3.49Å; N100-K102 WeakPolarHBondContact OD1-CB 3.39Å; N100-K102 PolarHBondContact OD1-N 3.46Å; N100-K102 VanDerWaalsContact OD1-N 3.17Å; K102-M106 VanDerWaalsContact O-CB 3.31Å; K102-M106 WeakPolarHBondContact O-CB 3.48Å; K102-M106 PolarHBondContact O-N 2.9Å
103D77.8Confident69.8Low3 Ų367 Ų672%0.01638%0.382CS..Hα-helixtrans-66.3-42.9174.3-70.9-34000110.6F80 K84 N100 M106 V107F80-D103 HydrophobicContact CE1-CB 4.45Å; K84-D103 IonicContact NZ-OD1 3.37Å; K84-D103 PolarHBondContact NZ-OD1 3.11Å; K84-D103 IonicContact NZ-OD2 3.36Å; K84-D103 PolarHBondContact NZ-OD2 2.84Å; N100-D103 PolarHBondContact ND2-OD2 3.32Å; N100-D103 PolarHBondContact O-N 3.14Å; N100-D103 VanDerWaalsContact O-N 3.08Å; N100-D103 PolarHBondContact OD1-N 3.45Å; D103-M106 WeakPolarHBondContact O-CB 3.25Å; D103-M106 PolarHBondContact O-N 3.01Å; D103-V107 WeakPolarHBondContact O-CG2 3.42Å; D103-V107 PolarHBondContact O-N 3.3Å
104L78.5Confident71.2Confident27 Ų2762.2 Ų62.214%0.14136%0.36CS..Hα-helixtrans-61-48.2174.6-63.7177.9000112.5F99 N100 M106 V107 E108 F134 F137F99-L104 HydrophobicContact CB-CD1 4.47Å; F99-L104 HydrophobicContact CB-CD2 3.82Å; F99-L104 HydrophobicContact CB-CG 3.98Å; F99-L104 HydrophobicContact CG-CD2 4.34Å; N100-L104 PolarHBondContact O-N 2.68Å; L104-M106 VanDerWaalsContact C-N 3.27Å; L104-M106 PolarHBondContact O-N 3.03Å; L104-V107 PolarHBondContact O-N 2.92Å; L104-E108 PolarHBondContact O-N 2.94Å; L104-F134 HydrophobicContact CD2-CD2 3.58Å; L104-F134 HydrophobicContact CD2-CE2 4.22Å; L104-F137 HydrophobicContact CB-CE1 4.41Å; L104-F137 HydrophobicContact CB-CE2 4.26Å; L104-F137 HydrophobicContact CB-CZ 4.19Å; L104-F137 HydrophobicContact CD1-CD2 4.04Å; L104-F137 HydrophobicContact CD1-CE2 4.49Å; L104-F137 HydrophobicContact CD1-CG 4.21Å; L104-F137 HydrophobicContact CD2-CD1 4.08Å; L104-F137 HydrophobicContact CD2-CE1 4.47Å; L104-F137 HydrophobicContact CD2-CG 4.21Å
105C76.8Confident72.9Confident81 Ų8155.9 Ų55.955%0.54733%0.327SS..Hα-helixtrans-63.3-31.1174.7-74.50000112.5S101 F109S101-C105 VanDerWaalsContact O-CB 3.25Å; S101-C105 WeakPolarHBondContact O-CB 3.25Å; S101-C105 PolarHBondContact O-N 2.82Å; S101-C105 PolarHBondContact O-SG 2.71Å; C105-F109 WeakPolarHBondContact O-CB 3.5Å; C105-F109 PolarHBondContact O-N 2.62Å
106M78.5Confident74.6Confident42 Ų4249.2 Ų49.221%0.20729%0.291CS..Hα-helixtrans-65.3-48.7174.9-168.5-168.5-39.800110.6Y48 L51 F80 K102 D103 L104 E108 F109 T110Y48-M106 HydrophobicContact CE1-CE 4.29Å; L51-M106 HydrophobicContact CD1-SD 3.99Å; F80-M106 HydrophobicContact CE1-CE 4.31Å; F80-M106 HydrophobicContact CE1-SD 4.25Å; F80-M106 HydrophobicContact CZ-CE 3.96Å; F80-M106 HydrophobicContact CZ-SD 4.16Å; K102-M106 VanDerWaalsContact O-CB 3.31Å; K102-M106 WeakPolarHBondContact O-CB 3.48Å; K102-M106 PolarHBondContact O-N 2.9Å; D103-M106 WeakPolarHBondContact O-CB 3.25Å; D103-M106 PolarHBondContact O-N 3.01Å; L104-M106 VanDerWaalsContact C-N 3.27Å; L104-M106 PolarHBondContact O-N 3.03Å; M106-E108 PolarHBondContact O-N 2.9Å; M106-F109 PolarHBondContact O-N 2.78Å; M106-T110 WeakPolarHBondContact O-CB 3.43Å; M106-T110 PolarHBondContact O-N 3.06Å; M106-T110 PolarHBondContact O-OG1 3.49Å; M106-T110 VanDerWaalsContact O-OG1 3.07Å
107V81.1Confident76.2Confident0 Ų045.7 Ų45.70%026%0.261CS..Hα-helixtrans-60-47.2178.1179.20000110.8L77 L81 D103 L104 T110 L111 L118 V121 F134L77-V107 HydrophobicContact CD1-CG1 4.11Å; L77-V107 HydrophobicContact CD2-CB 4.32Å; L77-V107 HydrophobicContact CD2-CG1 4.32Å; L77-V107 HydrophobicContact CD2-CG2 4.11Å; L81-V107 HydrophobicContact CD1-CG2 3.99Å; L81-V107 HydrophobicContact CD2-CG2 3.93Å; L81-V107 HydrophobicContact CG-CG2 4.15Å; D103-V107 WeakPolarHBondContact O-CG2 3.42Å; D103-V107 PolarHBondContact O-N 3.3Å; L104-V107 PolarHBondContact O-N 2.92Å; V107-T110 PolarHBondContact O-N 3.47Å; V107-L111 PolarHBondContact O-N 3.44Å; V107-L118 HydrophobicContact CG1-CD2 3.64Å; V107-V121 HydrophobicContact CG1-CG1 4.32Å; V107-V121 HydrophobicContact CG1-CG2 4.42Å; V107-F134 HydrophobicContact CG1-CE2 4.35Å; V107-F134 HydrophobicContact CG1-CZ 4.17Å
108E78.5Confident77.5Confident41 Ų4141.2 Ų41.219%0.19224%0.238CC..Hα-helixtrans-65.3-41177.5-169.8-177.7146.300112L104 M106 T110 L111 S112 T115 L118 R141L104-E108 PolarHBondContact O-N 2.94Å; M106-E108 PolarHBondContact O-N 2.9Å; E108-T110 VanDerWaalsContact C-N 3.34Å; E108-T110 PolarHBondContact O-N 2.98Å; E108-L111 CarbonylContact O-C 2.99Å; E108-L111 VanDerWaalsContact O-C 3.28Å; E108-L111 WeakPolarHBondContact O-CA 2.98Å; E108-L111 PolarHBondContact O-N 2.91Å; E108-S112 PolarHBondContact O-N 2.79Å; E108-T115 HydrophobicContact CG-CG2 4.3Å; E108-L118 HydrophobicContact CG-CD1 4.47Å; E108-R141 IonicContact OE1-CZ 2.7Å; E108-R141 IonicContact OE1-NE 2.68Å; E108-R141 PolarHBondContact OE1-NE 2.98Å; E108-R141 IonicContact OE1-NH2 3.66Å; E108-R141 PolarHBondContact OE1-NH2 3.21Å; E108-R141 WeakPolarHBondContact OE2-CD 3.03Å; E108-R141 IonicContact OE2-NE 3.38Å; E108-R141 PolarHBondContact OE2-NE 3.45Å
109F76.5Confident78.7Confident82 Ų8239.8 Ų39.836%0.3623%0.23SC..Hα-helixtrans-67-34178.3-164.6-81.8000112.4Y55 F59 C105 M106 L111 S112Y55-F109 AromaticContact CD2-CD1 3.63Å; Y55-F109 HydrophobicContact CD2-CD1 3.63Å; Y55-F109 AromaticContact CD2-CE1 3.59Å; Y55-F109 HydrophobicContact CD2-CE1 3.59Å; Y55-F109 AromaticContact CE2-CD1 3.63Å; Y55-F109 HydrophobicContact CE2-CD1 3.63Å; Y55-F109 AromaticContact CE2-CE1 3.38Å; Y55-F109 HydrophobicContact CE2-CE1 3.38Å; Y55-F109 HydrophobicContact CE2-CZ 4.13Å; F59-F109 AromaticContact CE1-CZ 3.91Å; F59-F109 HydrophobicContact CE1-CZ 3.91Å; F59-F109 AromaticContact CE2-CE1 3.81Å; F59-F109 HydrophobicContact CE2-CE1 3.81Å; F59-F109 HydrophobicContact CE2-CZ 4.02Å; F59-F109 AromaticContact CZ-CE1 3.59Å; F59-F109 HydrophobicContact CZ-CE1 3.59Å; F59-F109 HydrophobicContact CZ-CE2 4.47Å; F59-F109 AromaticContact CZ-CZ 3.31Å; F59-F109 HydrophobicContact CZ-CZ 3.31Å; C105-F109 WeakPolarHBondContact O-CB 3.5Å; C105-F109 PolarHBondContact O-N 2.62Å; M106-F109 PolarHBondContact O-N 2.78Å; F109-L111 PolarHBondContact O-N 3.15Å; F109-S112 WeakPolarHBondContact O-CB 3.36Å; F109-S112 PolarHBondContact O-N 2.61Å; F109-S112 VanDerWaalsContact O-N 3.11Å; F109-S112 PolarHBondContact O-OG 3.37Å
110T75.3Confident79.5Confident5 Ų539 Ų393%0.03123%0.227CC..Hα-helixtrans-62.8-29171.6-66.40000111Y54 L77 M106 V107 E108Y54-T110 HydrophobicContact CD1-CG2 3.61Å; Y54-T110 HydrophobicContact CE1-CG2 3.46Å; Y54-T110 VanDerWaalsContact CE1-CG2 3.46Å; Y54-T110 WeakPolarHBondContact CE1-O 3.38Å; Y54-T110 HydrophobicContact CG-CG2 4.47Å; Y54-T110 VanDerWaalsContact CZ-O 3.27Å; Y54-T110 PolarHBondContact OH-O 3.23Å; L77-T110 HydrophobicContact CD1-CG2 3.64Å; L77-T110 HydrophobicContact CD2-CG2 3.96Å; L77-T110 HydrophobicContact CG-CG2 4Å; M106-T110 WeakPolarHBondContact O-CB 3.43Å; M106-T110 PolarHBondContact O-N 3.06Å; M106-T110 PolarHBondContact O-OG1 3.49Å; M106-T110 VanDerWaalsContact O-OG1 3.07Å; V107-T110 PolarHBondContact O-N 3.47Å; E108-T110 VanDerWaalsContact C-N 3.34Å; E108-T110 PolarHBondContact O-N 2.98Å
111L77.1Confident80.3Confident0 Ų036.2 Ų36.20%021%0.211CC..THydrogen-bonded Turntrans-96.827.7175.2-57.6177.3000112.9Y70 T74 L77 V107 E108 F109 G113 E114 T115 L118 V121Y70-L111 HydrophobicContact CD1-CD2 4.38Å; T74-L111 HydrophobicContact CG2-CD2 4.2Å; L77-L111 HydrophobicContact CD1-CD1 4.23Å; L77-L111 HydrophobicContact CD1-CD2 3.99Å; L77-L111 HydrophobicContact CD1-CG 3.91Å; V107-L111 PolarHBondContact O-N 3.44Å; E108-L111 CarbonylContact O-C 2.99Å; E108-L111 VanDerWaalsContact O-C 3.28Å; E108-L111 WeakPolarHBondContact O-CA 2.98Å; E108-L111 PolarHBondContact O-N 2.91Å; F109-L111 PolarHBondContact O-N 3.15Å; L111-G113 PolarHBondContact O-N 2.97Å; L111-G113 VanDerWaalsContact O-N 3.13Å; L111-E114 CarbonylContact O-C 3.55Å; L111-E114 PolarHBondContact O-N 3.01Å; L111-T115 PolarHBondContact O-N 3.22Å; L111-L118 HydrophobicContact CD1-CD2 3.92Å; L111-L118 HydrophobicContact CD1-CG 4.01Å; L111-V121 HydrophobicContact CD1-CG2 3.95Å
112S69.2Low81.1Confident55 Ų5532.1 Ų32.139%0.38518%0.183SC..THydrogen-bonded Turntrans-49117.6-178.4-74.10000112.7E108 F109 E114E108-S112 PolarHBondContact O-N 2.79Å; F109-S112 WeakPolarHBondContact O-CB 3.36Å; F109-S112 PolarHBondContact O-N 2.61Å; F109-S112 VanDerWaalsContact O-N 3.11Å; F109-S112 PolarHBondContact O-OG 3.37Å; S112-E114 VanDerWaalsContact C-N 3.34Å
113G67.1Low81.6Confident76 Ų7625.8 Ų25.878%0.78416%0.156SC*.THydrogen-bonded Turntrans93.3-27.7179.800000114.8L111L111-G113 PolarHBondContact O-N 2.97Å; L111-G113 VanDerWaalsContact O-N 3.13Å
114E78.9Confident82.1Confident48 Ų4826.8 Ų26.822%0.22416%0.161CC..  trans-122.448.4-175.5-78.8-78.3-167.200110.4Y70 L111 S112 I116 Y117 R152Y70-E114 HydrophobicContact CE2-CB 3.91Å; Y70-E114 HydrophobicContact CE2-CG 3.72Å; L111-E114 CarbonylContact O-C 3.55Å; L111-E114 PolarHBondContact O-N 3.01Å; S112-E114 VanDerWaalsContact C-N 3.34Å; E114-I116 PolarHBondContact O-N 3.3Å; E114-Y117 HydrophobicContact CB-CD2 3.85Å; E114-Y117 HydrophobicContact CB-CE2 4.1Å; E114-Y117 HydrophobicContact CG-CE2 4.44Å; E114-Y117 WeakPolarHBondContact O-CD2 3.26Å; E114-Y117 PolarHBondContact O-N 3.13Å; E114-R152 IonicContact OE1-NH1 3.35Å
115T84.7Confident82.5Confident20 Ų2026 Ų2612%0.12316%0.156CC..G310 helixtrans-53.4-21-177.1-48.90000114.2E108 L111 Y117 L118 R141 I142 L145E108-T115 HydrophobicContact CG-CG2 4.3Å; L111-T115 PolarHBondContact O-N 3.22Å; T115-Y117 PolarHBondContact O-N 3.2Å; T115-L118 HydrophobicContact CG2-CD1 3.69Å; T115-L118 HydrophobicContact CG2-CG 4.42Å; T115-L118 VanDerWaalsContact O-CB 3.31Å; T115-L118 WeakPolarHBondContact O-CB 3.1Å; T115-L118 WeakPolarHBondContact O-CG 3.24Å; T115-L118 PolarHBondContact O-N 3.02Å; T115-L118 VanDerWaalsContact O-N 3.12Å; T115-R141 HydrophobicContact CG2-CG 3.83Å; T115-I142 WeakPolarHBondContact O-CD1 3.41Å; T115-L145 HydrophobicContact CG2-CD1 4.49Å; T115-L145 HydrophobicContact CG2-CD2 4.27Å
116I86.5Confident82.7Confident2 Ų226.6 Ų26.61%0.0116%0.155CC..G310 helixtrans-60.7-27176.1-168.761.8000113.4E114 L118 V119 I142 I155 R158 I159E114-I116 PolarHBondContact O-N 3.3Å; I116-L118 PolarHBondContact O-N 3.39Å; I116-V119 HydrophobicContact CD1-CG2 4.33Å; I116-V119 WeakPolarHBondContact O-CB 3.48Å; I116-V119 WeakPolarHBondContact O-CG2 3.17Å; I116-V119 PolarHBondContact O-N 2.86Å; I116-V119 VanDerWaalsContact O-N 3.09Å; I116-I142 HydrophobicContact CD1-CD1 4.06Å; I116-I142 HydrophobicContact CD1-CG2 4.1Å; I116-I155 HydrophobicContact CD1-CG2 3.99Å; I116-I155 HydrophobicContact CG1-CB 4.43Å; I116-I155 HydrophobicContact CG1-CG1 4.19Å; I116-I155 HydrophobicContact CG1-CG2 3.97Å; I116-I155 HydrophobicContact CG2-CD1 4.44Å; I116-I155 HydrophobicContact CG2-CG1 4.33Å; I116-R158 HydrophobicContact CD1-CB 4.34Å; I116-R158 HydrophobicContact CG1-CB 4.32Å; I116-I159 HydrophobicContact CD1-CG1 4.39Å
117Y88.4Confident82.7Confident35 Ų3525.3 Ų25.314%0.13715%0.149CC..G310 helixtrans-70.5-5.9177.1-72.9-100.9000113.2Y70 T74 E114 T115 V119 D120 V121Y70-Y117 HydrophobicContact CD2-CE1 4.44Å; Y70-Y117 HydrophobicContact CD2-CE2 4.09Å; Y70-Y117 HydrophobicContact CG-CE1 4.44Å; T74-Y117 HydrophobicContact CG2-CD1 4.18Å; E114-Y117 HydrophobicContact CB-CD2 3.85Å; E114-Y117 HydrophobicContact CB-CE2 4.1Å; E114-Y117 HydrophobicContact CG-CE2 4.44Å; E114-Y117 WeakPolarHBondContact O-CD2 3.26Å; E114-Y117 PolarHBondContact O-N 3.13Å; T115-Y117 PolarHBondContact O-N 3.2Å; Y117-V119 PolarHBondContact O-N 2.94Å; Y117-D120 WeakPolarHBondContact CD1-OD2 3.43Å; Y117-D120 WeakPolarHBondContact O-CB 3.13Å; Y117-D120 PolarHBondContact O-N 3.27Å; Y117-V121 PolarHBondContact O-N 2.85Å
118L89.8Confident81.9Confident0 Ų026 Ų260%015%0.153CC..Hα-helixtrans-57-28.9164.3-76.2175.3000112V107 E108 L111 T115 I116 L122 F134 F137 V138 R141 I142V107-L118 HydrophobicContact CG1-CD2 3.64Å; E108-L118 HydrophobicContact CG-CD1 4.47Å; L111-L118 HydrophobicContact CD1-CD2 3.92Å; L111-L118 HydrophobicContact CD1-CG 4.01Å; T115-L118 HydrophobicContact CG2-CD1 3.69Å; T115-L118 HydrophobicContact CG2-CG 4.42Å; T115-L118 VanDerWaalsContact O-CB 3.31Å; T115-L118 WeakPolarHBondContact O-CB 3.1Å; T115-L118 WeakPolarHBondContact O-CG 3.24Å; T115-L118 PolarHBondContact O-N 3.02Å; T115-L118 VanDerWaalsContact O-N 3.12Å; I116-L118 PolarHBondContact O-N 3.39Å; L118-L122 WeakPolarHBondContact O-CB 3.16Å; L118-L122 PolarHBondContact O-N 3.38Å; L118-F134 HydrophobicContact CD2-CE2 4.37Å; L118-F134 HydrophobicContact CD2-CZ 4.31Å; L118-F137 HydrophobicContact CD1-CE1 4.23Å; L118-V138 HydrophobicContact CB-CG1 4.01Å; L118-V138 HydrophobicContact CB-CG2 4.03Å; L118-R141 HydrophobicContact CD1-CB 4.32Å; L118-R141 HydrophobicContact CD1-CG 4.02Å; L118-I142 HydrophobicContact CB-CD1 4.39Å
119V90.7Very high81.1Confident0 Ų027.7 Ų27.70%017%0.174CC..Hα-helixtrans-65-44.4171.7179.80000110.7I116 Y117 L122 L123 V138 I142 R158 L162I116-V119 HydrophobicContact CD1-CG2 4.33Å; I116-V119 WeakPolarHBondContact O-CB 3.48Å; I116-V119 WeakPolarHBondContact O-CG2 3.17Å; I116-V119 PolarHBondContact O-N 2.86Å; I116-V119 VanDerWaalsContact O-N 3.09Å; Y117-V119 PolarHBondContact O-N 2.94Å; V119-L122 PolarHBondContact O-N 2.96Å; V119-L123 HydrophobicContact CG1-CD1 3.68Å; V119-L123 HydrophobicContact CG1-CG 4.23Å; V119-L123 WeakPolarHBondContact O-CB 3.19Å; V119-L123 WeakPolarHBondContact O-CG 3.3Å; V119-L123 PolarHBondContact O-N 3.45Å; V119-V138 HydrophobicContact CG2-CG1 4.41Å; V119-I142 HydrophobicContact CG2-CD1 4.29Å; V119-I142 HydrophobicContact CG2-CG1 3.96Å; V119-R158 HydrophobicContact CB-CB 4.37Å; V119-R158 HydrophobicContact CG1-CB 4.16Å; V119-R158 HydrophobicContact CG1-CG 4.49Å; V119-L162 HydrophobicContact CG1-CB 4.08Å; V119-L162 HydrophobicContact CG2-CB 4.12Å; V119-L162 HydrophobicContact CG2-CD2 4.08Å; V119-L162 HydrophobicContact CG2-CG 4.48Å
120D90.4Very high80.4Confident0 Ų026.9 Ų26.90%017%0.173CC..Hα-helixtrans-65.2-40.6178.7-63.3-55.2000111.2T74 Y117 L123 Q124 R158T74-D120 HydrophobicContact CG2-CB 3.9Å; Y117-D120 WeakPolarHBondContact CD1-OD2 3.43Å; Y117-D120 WeakPolarHBondContact O-CB 3.13Å; Y117-D120 PolarHBondContact O-N 3.27Å; D120-L123 PolarHBondContact O-N 3.28Å; D120-Q124 VanDerWaalsContact O-CB 3.24Å; D120-Q124 WeakPolarHBondContact O-CB 3.45Å; D120-Q124 WeakPolarHBondContact O-CG 3.39Å; D120-Q124 PolarHBondContact O-N 2.9Å; D120-R158 IonicContact OD1-CZ 3.68Å; D120-R158 IonicContact OD1-NE 2.83Å; D120-R158 PolarHBondContact OD1-NE 3.3Å; D120-R158 IonicContact OD1-NH2 3.21Å; D120-R158 IonicContact OD2-CZ 3.67Å; D120-R158 IonicContact OD2-NE 3.89Å; D120-R158 PolarHBondContact OD2-NE 3.23Å; D120-R158 IonicContact OD2-NH2 2.67Å; D120-R158 PolarHBondContact OD2-NH2 3.5Å
121V89.9Confident80.2Confident0 Ų026.7 Ų26.70%017%0.172CC..Hα-helixtrans-56-54.2171.7-178.70000110.8T74 L77 A78 L81 V107 L111 Y117 L123 Q124 M125 F134T74-V121 HydrophobicContact CG2-CG2 3.85Å; L77-V121 HydrophobicContact CB-CG1 4.02Å; L77-V121 HydrophobicContact CB-CG2 3.92Å; L77-V121 HydrophobicContact CD1-CG2 3.96Å; A78-V121 HydrophobicContact CB-CG1 4.33Å; L81-V121 HydrophobicContact CD1-CG1 3.76Å; V107-V121 HydrophobicContact CG1-CG1 4.32Å; V107-V121 HydrophobicContact CG1-CG2 4.42Å; L111-V121 HydrophobicContact CD1-CG2 3.95Å; Y117-V121 PolarHBondContact O-N 2.85Å; V121-L123 PolarHBondContact O-N 2.92Å; V121-Q124 PolarHBondContact O-N 3.38Å; V121-M125 WeakPolarHBondContact O-CG 3.22Å; V121-M125 PolarHBondContact O-N 2.98Å; V121-M125 VanDerWaalsContact O-N 3.15Å; V121-F134 HydrophobicContact CB-CE1 4.48Å; V121-F134 HydrophobicContact CB-CZ 4.37Å; V121-F134 HydrophobicContact CG1-CE1 3.92Å; V121-F134 HydrophobicContact CG1-CZ 3.92Å
122L89.9Confident80.1Confident1 Ų128.3 Ų28.31%0.00518%0.182CC..Hα-helixtrans-59.2-34.1-177.3-17768.3000113.1L118 V119 F134 V138 L162 W165L118-L122 WeakPolarHBondContact O-CB 3.16Å; L118-L122 PolarHBondContact O-N 3.38Å; V119-L122 PolarHBondContact O-N 2.96Å; L122-F134 HydrophobicContact CB-CE1 4.09Å; L122-F134 HydrophobicContact CD1-CD1 3.55Å; L122-F134 HydrophobicContact CD1-CE1 3.95Å; L122-F134 HydrophobicContact CD1-CG 4.42Å; L122-V138 HydrophobicContact CD2-CB 4.09Å; L122-V138 HydrophobicContact CD2-CG1 4.02Å; L122-V138 HydrophobicContact CD2-CG2 4.48Å; L122-L162 HydrophobicContact CD2-CD1 3.66Å; L122-W165 HydrophobicContact CD1-CH2 3.64Å; L122-W165 HydrophobicContact CD1-CZ2 4.09Å; L122-W165 HydrophobicContact CD1-CZ3 4.12Å; L122-W165 HydrophobicContact CD2-CE3 3.95Å; L122-W165 HydrophobicContact CD2-CH2 4.07Å; L122-W165 HydrophobicContact CD2-CZ3 3.7Å; L122-W165 HydrophobicContact CG-CE3 4.43Å; L122-W165 HydrophobicContact CG-CH2 3.9Å; L122-W165 HydrophobicContact CG-CZ2 4.13Å; L122-W165 HydrophobicContact CG-CZ3 4.06Å
123L88.6Confident80.5Confident23 Ų2330.3 Ų30.312%0.1219%0.186CC..Hα-helixtrans-88.8-17.7-178.7-62.7-178.5000113.9V119 D120 V121 M161 W165 L225V119-L123 HydrophobicContact CG1-CD1 3.68Å; V119-L123 HydrophobicContact CG1-CG 4.23Å; V119-L123 WeakPolarHBondContact O-CB 3.19Å; V119-L123 WeakPolarHBondContact O-CG 3.3Å; V119-L123 PolarHBondContact O-N 3.45Å; D120-L123 PolarHBondContact O-N 3.28Å; V121-L123 PolarHBondContact O-N 2.92Å; L123-M161 HydrophobicContact CD1-CB 3.77Å; L123-M161 HydrophobicContact CD1-CE 3.75Å; L123-W165 HydrophobicContact CD2-CB 3.65Å; L123-W165 HydrophobicContact CD2-CD2 4.04Å; L123-W165 HydrophobicContact CD2-CG 3.37Å; L123-L225 HydrophobicContact CD1-CD1 4.42Å; L123-L225 HydrophobicContact CD2-CD2 4.24Å
124Q87.4Confident81.3Confident25 Ų2526.7 Ų26.712%0.11715%0.148CC..Hα-helixtrans-90-13.5174.4-70.4169.221.600113R32 T74 A78 D120 V121R32-Q124 VanDerWaalsContact NH2-CD 3.32Å; R32-Q124 VanDerWaalsContact NH2-OE1 3.1Å; T74-Q124 VanDerWaalsContact C-OE1 3.25Å; T74-Q124 PolarHBondContact OG1-NE2 3.11Å; T74-Q124 VanDerWaalsContact OG1-NE2 3.13Å; T74-Q124 PolarHBondContact OG1-OE1 3.48Å; A78-Q124 HydrophobicContact CB-CB 3.84Å; D120-Q124 VanDerWaalsContact O-CB 3.24Å; D120-Q124 WeakPolarHBondContact O-CB 3.45Å; D120-Q124 WeakPolarHBondContact O-CG 3.39Å; D120-Q124 PolarHBondContact O-N 2.9Å; V121-Q124 PolarHBondContact O-N 3.38Å
125M87Confident81.6Confident9 Ų924.4 Ų24.44%0.04414%0.138CC..  trans-63.4137.9171.7-75.5-177.172.300111.4A78 L81 D82 V85 F99 V121 T127 T128 V131 F134A78-M125 HydrophobicContact CB-CG 3.89Å; L81-M125 HydrophobicContact CB-CE 3.49Å; L81-M125 VanDerWaalsContact CB-CE 3.49Å; L81-M125 HydrophobicContact CB-CG 4.46Å; L81-M125 HydrophobicContact CB-SD 3.7Å; L81-M125 HydrophobicContact CD1-SD 3.84Å; L81-M125 HydrophobicContact CG-SD 4.45Å; D82-M125 WeakPolarHBondContact OD1-CB 3.26Å; D82-M125 WeakPolarHBondContact OD1-CE 3.31Å; V85-M125 HydrophobicContact CG2-CE 4.47Å; F99-M125 HydrophobicContact CZ-CE 4.44Å; V121-M125 WeakPolarHBondContact O-CG 3.22Å; V121-M125 PolarHBondContact O-N 2.98Å; V121-M125 VanDerWaalsContact O-N 3.15Å; M125-T127 WeakPolarHBondContact CE-OG1 3.38Å; M125-T128 HydrophobicContact CB-CG2 4.25Å; M125-T128 VanDerWaalsContact O-CG2 3.27Å; M125-T128 WeakPolarHBondContact O-CG2 3.48Å; M125-V131 HydrophobicContact CE-CB 4.46Å; M125-V131 HydrophobicContact CE-CG1 3.92Å; M125-V131 HydrophobicContact CE-CG2 3.86Å; M125-V131 HydrophobicContact SD-CG1 4.2Å; M125-F134 HydrophobicContact SD-CD1 3.79Å; M125-F134 HydrophobicContact SD-CE1 3.93Å
126N81.7Confident81.6Confident95 Ų9526.8 Ų26.851%0.50815%0.148SC..SBendtrans-84.5-35.4173.8-60.6-83.3000110.9D82 T128D82-N126 VanDerWaalsContact CG-N 3.33Å; D82-N126 PolarHBondContact OD1-N 2.96Å; D82-N126 VanDerWaalsContact OD1-N 3.09Å; D82-N126 WeakPolarHBondContact OD2-CB 3.39Å; D82-N126 PolarHBondContact OD2-N 3.47Å; D82-N126 PolarHBondContact OD2-ND2 3.33Å; N126-T128 PolarHBondContact O-N 3.03Å
127T77.4Confident81.6Confident15 Ų1529 Ų299%0.09216%0.157CC..  trans-77.513.5-173.662.80000114.5D82 V85 L86 M125 A129 L130 V131D82-T127 HydrophobicContact CB-CG2 3.93Å; D82-T127 VanDerWaalsContact OD1-CB 3.29Å; D82-T127 WeakPolarHBondContact OD1-CB 3.33Å; D82-T127 WeakPolarHBondContact OD1-CG2 3.26Å; D82-T127 PolarHBondContact OD1-N 2.93Å; D82-T127 PolarHBondContact OD1-OG1 3.14Å; V85-T127 HydrophobicContact CB-CG2 4.38Å; V85-T127 HydrophobicContact CG1-CG2 4.2Å; L86-T127 HydrophobicContact CD1-CG2 4.35Å; L86-T127 HydrophobicContact CD2-CG2 4.41Å; L86-T127 HydrophobicContact CG-CG2 4.07Å; M125-T127 WeakPolarHBondContact CE-OG1 3.38Å; T127-A129 PolarHBondContact O-N 3.37Å; T127-L130 WeakPolarHBondContact O-CB 3.2Å; T127-L130 PolarHBondContact O-N 3.35Å; T127-V131 WeakPolarHBondContact O-CG2 3.46Å
128T65.8Low81.6Confident15 Ų1527.3 Ų27.39%0.09215%0.15CC..G310 helixtrans-44.1-30.6-172.753.10000116.9M125 N126 L130 V131 W165 F170 K564M125-T128 HydrophobicContact CB-CG2 4.25Å; M125-T128 VanDerWaalsContact O-CG2 3.27Å; M125-T128 WeakPolarHBondContact O-CG2 3.48Å; N126-T128 PolarHBondContact O-N 3.03Å; T128-L130 PolarHBondContact O-N 2.99Å; T128-V131 PolarHBondContact O-N 3.01Å; T128-W165 HydrophobicContact CG2-CZ2 3.8Å; T128-F170 WeakPolarHBondContact O-CZ 3.29Å; T128-K564 PolarHBondContact OG1-NZ 3.03Å
129A60.3Low81.6Confident75 Ų7527.3 Ų27.362%0.6215%0.151SC*.G310 helixtrans-67.6-14.8176.800000114.3T127T127-A129 PolarHBondContact O-N 3.37Å
130L61.4Low81.4Confident66 Ų6633.2 Ų33.235%0.34618%0.176SC..G310 helixtrans-105.82.8-177.1-56.9175.3000112.7V85 K89 L98 T127 T128 P132V85-L130 HydrophobicContact CG1-CB 3.69Å; V85-L130 HydrophobicContact CG1-CD1 3.55Å; V85-L130 HydrophobicContact CG1-CG 4.26Å; K89-L130 HydrophobicContact CD-CD1 4.24Å; L98-L130 WeakPolarHBondContact CD2-O 3.41Å; T127-L130 WeakPolarHBondContact O-CB 3.2Å; T127-L130 PolarHBondContact O-N 3.35Å; T128-L130 PolarHBondContact O-N 2.99Å; L130-P132 WeakPolarHBondContact O-CD 3.46Å
131V71.6Confident81.3Confident0 Ų037.1 Ų37.10%019%0.191CC..  trans-127.151.7-156.7179.10000113.5V85 F99 M125 T127 T128 F134 G135V85-V131 HydrophobicContact CG1-CG2 4.31Å; V85-V131 HydrophobicContact CG2-CG2 3.7Å; F99-V131 HydrophobicContact CE2-CB 4.4Å; F99-V131 HydrophobicContact CE2-CG1 3.73Å; F99-V131 HydrophobicContact CE2-CG2 4.3Å; F99-V131 HydrophobicContact CZ-CB 4.39Å; F99-V131 HydrophobicContact CZ-CG1 3.69Å; F99-V131 HydrophobicContact CZ-CG2 3.93Å; M125-V131 HydrophobicContact CE-CB 4.46Å; M125-V131 HydrophobicContact CE-CG1 3.92Å; M125-V131 HydrophobicContact CE-CG2 3.86Å; M125-V131 HydrophobicContact SD-CG1 4.2Å; T127-V131 WeakPolarHBondContact O-CG2 3.46Å; T128-V131 PolarHBondContact O-N 3.01Å; V131-F134 HydrophobicContact CG1-CB 3.61Å; V131-F134 HydrophobicContact CG1-CD1 4.16Å; V131-F134 HydrophobicContact CG1-CG 4.39Å; V131-G135 PolarHBondContact O-N 3.05Å
132P75.8Confident81.3Confident34 Ų3437.1 Ų37.122%0.22119%0.191CC..Hα-helixtrans-68.1-35.8177.427.7-32.4000113.1L130 G135 E136 F170L130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-G135 PolarHBondContact O-N 2.91Å; P132-E136 PolarHBondContact O-N 3.2Å; P132-F170 HydrophobicContact CB-CD1 3.92Å; P132-F170 HydrophobicContact CB-CE1 3.7Å; P132-F170 HydrophobicContact CB-CG 4.43Å; P132-F170 HydrophobicContact CB-CZ 4.02Å; P132-F170 HydrophobicContact CG-CE1 4.38Å
133E77.8Confident81.2Confident97 Ų9738.5 Ų38.545%0.45320%0.197SC..Hα-helixtrans-67.6-42.5-173.2-53.776.5-168.800111.6F99 E136 F137F99-E133 HydrophobicContact CD2-CB 4.45Å; E133-E136 PolarHBondContact O-N 2.68Å; E133-F137 WeakPolarHBondContact O-CB 3.09Å; E133-F137 PolarHBondContact O-N 3.14Å
134F83.1Confident81Confident0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-70-37.3174.4-176.9-124.6000111.2L81 F99 L104 V107 L118 V121 L122 M125 V131 E136 F137 V138L81-F134 HydrophobicContact CD1-CD1 3.96Å; L81-F134 HydrophobicContact CD1-CE1 3.53Å; L81-F134 HydrophobicContact CD1-CE2 4.12Å; L81-F134 HydrophobicContact CD1-CG 4.44Å; L81-F134 HydrophobicContact CD1-CZ 3.62Å; F99-F134 HydrophobicContact CD2-CB 4.04Å; F99-F134 HydrophobicContact CE2-CB 3.87Å; F99-F134 HydrophobicContact CZ-CB 4.32Å; L104-F134 HydrophobicContact CD2-CD2 3.58Å; L104-F134 HydrophobicContact CD2-CE2 4.22Å; V107-F134 HydrophobicContact CG1-CE2 4.35Å; V107-F134 HydrophobicContact CG1-CZ 4.17Å; L118-F134 HydrophobicContact CD2-CE2 4.37Å; L118-F134 HydrophobicContact CD2-CZ 4.31Å; V121-F134 HydrophobicContact CB-CE1 4.48Å; V121-F134 HydrophobicContact CB-CZ 4.37Å; V121-F134 HydrophobicContact CG1-CE1 3.92Å; V121-F134 HydrophobicContact CG1-CZ 3.92Å; L122-F134 HydrophobicContact CB-CE1 4.09Å; L122-F134 HydrophobicContact CD1-CD1 3.55Å; L122-F134 HydrophobicContact CD1-CE1 3.95Å; L122-F134 HydrophobicContact CD1-CG 4.42Å; M125-F134 HydrophobicContact SD-CD1 3.79Å; M125-F134 HydrophobicContact SD-CE1 3.93Å; V131-F134 HydrophobicContact CG1-CB 3.61Å; V131-F134 HydrophobicContact CG1-CD1 4.16Å; V131-F134 HydrophobicContact CG1-CG 4.39Å; F134-E136 VanDerWaalsContact C-N 3.31Å; F134-E136 PolarHBondContact O-N 3.03Å; F134-F137 AromaticContact CD2-CD1 3.86Å; F134-F137 HydrophobicContact CD2-CD1 3.86Å; F134-F137 AromaticContact CE2-CD1 3.91Å; F134-F137 HydrophobicContact CE2-CD1 3.91Å; F134-F137 HydrophobicContact CE2-CE1 4.31Å; F134-F137 PolarHBondContact O-N 3.25Å; F134-V138 HydrophobicContact CD1-CG2 4.38Å; F134-V138 HydrophobicContact CD2-CG2 3.96Å; F134-V138 HydrophobicContact CE1-CG2 4.03Å; F134-V138 HydrophobicContact CE2-CG2 3.59Å; F134-V138 HydrophobicContact CG-CG2 4.34Å; F134-V138 HydrophobicContact CZ-CG2 3.62Å; F134-V138 WeakPolarHBondContact O-CB 3.32Å; F134-V138 VanDerWaalsContact O-CG2 3.32Å; F134-V138 WeakPolarHBondContact O-CG2 3.48Å; F134-V138 PolarHBondContact O-N 3.32Å
135G86Confident80.9Confident0 Ų041.2 Ų41.20%022%0.219CC..Hα-helixtrans-58.4-41.9172.500000112.7V131 P132 A139V131-G135 PolarHBondContact O-N 3.05Å; P132-G135 PolarHBondContact O-N 2.91Å; G135-A139 WeakPolarHBondContact O-CB 3.34Å; G135-A139 PolarHBondContact O-N 2.91Å
136E84.4Confident80.7Confident71 Ų7145.7 Ų45.733%0.33224%0.242SC..Hα-helixtrans-71.7-38.6175.4-154.3-151.6-175.400112.5P132 E133 F134 A139 K140 V173P132-E136 PolarHBondContact O-N 3.2Å; E133-E136 PolarHBondContact O-N 2.68Å; F134-E136 VanDerWaalsContact C-N 3.31Å; F134-E136 PolarHBondContact O-N 3.03Å; E136-A139 PolarHBondContact O-N 3Å; E136-K140 HydrophobicContact CG-CD 4.32Å; E136-K140 WeakPolarHBondContact O-CB 3.19Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.42Å; E136-K140 PolarHBondContact O-N 3.13Å; E136-K140 WeakPolarHBondContact OE1-CE 3.07Å; E136-K140 IonicContact OE1-NZ 3.85Å; E136-K140 PolarHBondContact OE1-NZ 3.44Å; E136-K140 IonicContact OE2-NZ 2.7Å; E136-K140 PolarHBondContact OE2-NZ 2.9Å; E136-V173 HydrophobicContact CB-CG1 4.45Å; E136-V173 HydrophobicContact CB-CG2 4.3Å; E136-V173 HydrophobicContact CG-CG1 3.99Å; E136-V173 HydrophobicContact CG-CG2 4.24Å
137F86.2Confident80.4Confident47 Ų4747.8 Ų47.821%0.20625%0.247CC..Hα-helixtrans-59.4-49.7172.7170.3-97.4000111.6L104 L118 E133 F134 A139 K140 R141L104-F137 HydrophobicContact CB-CE1 4.41Å; L104-F137 HydrophobicContact CB-CE2 4.26Å; L104-F137 HydrophobicContact CB-CZ 4.19Å; L104-F137 HydrophobicContact CD1-CD2 4.04Å; L104-F137 HydrophobicContact CD1-CE2 4.49Å; L104-F137 HydrophobicContact CD1-CG 4.21Å; L104-F137 HydrophobicContact CD2-CD1 4.08Å; L104-F137 HydrophobicContact CD2-CE1 4.47Å; L104-F137 HydrophobicContact CD2-CG 4.21Å; L118-F137 HydrophobicContact CD1-CE1 4.23Å; E133-F137 WeakPolarHBondContact O-CB 3.09Å; E133-F137 PolarHBondContact O-N 3.14Å; F134-F137 AromaticContact CD2-CD1 3.86Å; F134-F137 HydrophobicContact CD2-CD1 3.86Å; F134-F137 AromaticContact CE2-CD1 3.91Å; F134-F137 HydrophobicContact CE2-CD1 3.91Å; F134-F137 HydrophobicContact CE2-CE1 4.31Å; F134-F137 PolarHBondContact O-N 3.25Å; F137-A139 PolarHBondContact O-N 3.37Å; F137-K140 PolarHBondContact O-N 3.47Å; F137-R141 VanDerWaalsContact O-CB 3.29Å; F137-R141 WeakPolarHBondContact O-CB 3.38Å; F137-R141 PolarHBondContact O-N 3.15Å
138V88.9Confident80.4Confident0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-63-42.6177174.60000110.5L118 V119 L122 F134 R141 I142 L162L118-V138 HydrophobicContact CB-CG1 4.01Å; L118-V138 HydrophobicContact CB-CG2 4.03Å; V119-V138 HydrophobicContact CG2-CG1 4.41Å; L122-V138 HydrophobicContact CD2-CB 4.09Å; L122-V138 HydrophobicContact CD2-CG1 4.02Å; L122-V138 HydrophobicContact CD2-CG2 4.48Å; F134-V138 HydrophobicContact CD1-CG2 4.38Å; F134-V138 HydrophobicContact CD2-CG2 3.96Å; F134-V138 HydrophobicContact CE1-CG2 4.03Å; F134-V138 HydrophobicContact CE2-CG2 3.59Å; F134-V138 HydrophobicContact CG-CG2 4.34Å; F134-V138 HydrophobicContact CZ-CG2 3.62Å; F134-V138 WeakPolarHBondContact O-CB 3.32Å; F134-V138 VanDerWaalsContact O-CG2 3.32Å; F134-V138 WeakPolarHBondContact O-CG2 3.48Å; F134-V138 PolarHBondContact O-N 3.32Å; V138-R141 PolarHBondContact O-N 3.24Å; V138-I142 HydrophobicContact CG1-CG1 3.88Å; V138-I142 WeakPolarHBondContact O-CB 3.46Å; V138-I142 VanDerWaalsContact O-CG1 3.26Å; V138-I142 WeakPolarHBondContact O-CG1 3.29Å; V138-I142 PolarHBondContact O-N 3.46Å; V138-L162 HydrophobicContact CG1-CD1 4.07Å; V138-L162 HydrophobicContact CG1-CD2 4.48Å
139A88.8Confident80.8Confident1 Ų151.8 Ų51.81%0.00827%0.274CS..Hα-helixtrans-57.5-5417400000111.9G135 E136 F137 R141 F143 L166 V173G135-A139 WeakPolarHBondContact O-CB 3.34Å; G135-A139 PolarHBondContact O-N 2.91Å; E136-A139 PolarHBondContact O-N 3Å; F137-A139 PolarHBondContact O-N 3.37Å; A139-R141 VanDerWaalsContact C-N 3.28Å; A139-R141 PolarHBondContact O-N 3.48Å; A139-F143 HydrophobicContact CB-CD2 4.15Å; A139-F143 HydrophobicContact CB-CE2 4.02Å; A139-F143 WeakPolarHBondContact O-CB 3.28Å; A139-F143 WeakPolarHBondContact O-CD2 2.96Å; A139-F143 WeakPolarHBondContact O-CG 3.14Å; A139-F143 PolarHBondContact O-N 3.39Å; A139-L166 HydrophobicContact CB-CD1 3.88Å; A139-V173 HydrophobicContact CB-CG1 3.87Å
140K87.5Confident81.5Confident123 Ų12348.7 Ų48.754%0.53525%0.247SC..Hα-helixtrans-56.3-41177-75.3166.9175167.80111.9E136 F137 S144E136-K140 HydrophobicContact CG-CD 4.32Å; E136-K140 WeakPolarHBondContact O-CB 3.19Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.42Å; E136-K140 PolarHBondContact O-N 3.13Å; E136-K140 WeakPolarHBondContact OE1-CE 3.07Å; E136-K140 IonicContact OE1-NZ 3.85Å; E136-K140 PolarHBondContact OE1-NZ 3.44Å; E136-K140 IonicContact OE2-NZ 2.7Å; E136-K140 PolarHBondContact OE2-NZ 2.9Å; F137-K140 PolarHBondContact O-N 3.47Å; K140-S144 WeakPolarHBondContact O-CB 3.36Å; K140-S144 PolarHBondContact O-N 3.18Å; K140-S144 PolarHBondContact O-OG 2.98Å
141R87.7Confident82.2Confident82 Ų8253.8 Ų53.831%0.30927%0.266SS..Hα-helixtrans-76.4-44.8-176.3-167.460.7175.7118.2-0.9113E108 T115 L118 F137 V138 A139 S144 L145E108-R141 IonicContact OE1-CZ 2.7Å; E108-R141 IonicContact OE1-NE 2.68Å; E108-R141 PolarHBondContact OE1-NE 2.98Å; E108-R141 IonicContact OE1-NH2 3.66Å; E108-R141 PolarHBondContact OE1-NH2 3.21Å; E108-R141 WeakPolarHBondContact OE2-CD 3.03Å; E108-R141 IonicContact OE2-NE 3.38Å; E108-R141 PolarHBondContact OE2-NE 3.45Å; T115-R141 HydrophobicContact CG2-CG 3.83Å; L118-R141 HydrophobicContact CD1-CB 4.32Å; L118-R141 HydrophobicContact CD1-CG 4.02Å; F137-R141 VanDerWaalsContact O-CB 3.29Å; F137-R141 WeakPolarHBondContact O-CB 3.38Å; F137-R141 PolarHBondContact O-N 3.15Å; V138-R141 PolarHBondContact O-N 3.24Å; A139-R141 VanDerWaalsContact C-N 3.28Å; A139-R141 PolarHBondContact O-N 3.48Å; R141-S144 PolarHBondContact O-N 2.97Å; R141-S144 PolarHBondContact O-OG 3.35Å; R141-S144 VanDerWaalsContact O-OG 3.04Å; R141-L145 WeakPolarHBondContact O-CG 3.33Å
142I89.3Confident82.8Confident0 Ų060.8 Ų60.80%029%0.292CS..Hα-helixtrans-66.8-47.4178.5-64.5-54.5000111T115 I116 L118 V119 V138 S144 L145 Y150 I159 L162T115-I142 WeakPolarHBondContact O-CD1 3.41Å; I116-I142 HydrophobicContact CD1-CD1 4.06Å; I116-I142 HydrophobicContact CD1-CG2 4.1Å; L118-I142 HydrophobicContact CB-CD1 4.39Å; V119-I142 HydrophobicContact CG2-CD1 4.29Å; V119-I142 HydrophobicContact CG2-CG1 3.96Å; V138-I142 HydrophobicContact CG1-CG1 3.88Å; V138-I142 WeakPolarHBondContact O-CB 3.46Å; V138-I142 VanDerWaalsContact O-CG1 3.26Å; V138-I142 WeakPolarHBondContact O-CG1 3.29Å; V138-I142 PolarHBondContact O-N 3.46Å; I142-S144 PolarHBondContact O-N 3.49Å; I142-S144 VanDerWaalsContact O-N 3.14Å; I142-L145 HydrophobicContact CD1-CD1 4Å; I142-L145 WeakPolarHBondContact O-CB 3.11Å; I142-L145 WeakPolarHBondContact O-CG 3.24Å; I142-L145 PolarHBondContact O-N 3.21Å; I142-L145 VanDerWaalsContact O-N 3.11Å; I142-Y150 PolarHBondContact O-OH 2.62Å; I142-I159 HydrophobicContact CG2-CG1 4.35Å; I142-L162 HydrophobicContact CB-CD2 3.94Å; I142-L162 HydrophobicContact CG1-CD2 4.13Å; I142-L162 HydrophobicContact CG2-CD2 3.95Å
143F87.5Confident83.4Confident31 Ų3161.6 Ų61.614%0.13629%0.293CS..THydrogen-bonded Turntrans-74.1-1.8-177.9-57.8-50.4000114.2A139 I159 L162 L166 K175 P176 L181A139-F143 HydrophobicContact CB-CD2 4.15Å; A139-F143 HydrophobicContact CB-CE2 4.02Å; A139-F143 WeakPolarHBondContact O-CB 3.28Å; A139-F143 WeakPolarHBondContact O-CD2 2.96Å; A139-F143 WeakPolarHBondContact O-CG 3.14Å; A139-F143 PolarHBondContact O-N 3.39Å; F143-I159 HydrophobicContact CE1-CG2 4.29Å; F143-L162 HydrophobicContact CE1-CD2 4.32Å; F143-L162 HydrophobicContact CE2-CD2 4.17Å; F143-L162 HydrophobicContact CZ-CD2 3.82Å; F143-L162 HydrophobicContact CZ-CG 4.33Å; F143-L166 HydrophobicContact CE2-CD1 4.22Å; F143-K175 HydrophobicContact CE2-CB 4.05Å; F143-P176 HydrophobicContact CB-CG 4.03Å; F143-P176 HydrophobicContact CD1-CG 3.57Å; F143-P176 HydrophobicContact CD2-CG 4.06Å; F143-P176 HydrophobicContact CE1-CG 3.99Å; F143-P176 VanDerWaalsContact CE2-CD 3.48Å; F143-P176 HydrophobicContact CE2-CG 4.44Å; F143-P176 VanDerWaalsContact CG-CD 3.49Å; F143-P176 HydrophobicContact CG-CG 3.62Å; F143-P176 HydrophobicContact CZ-CG 4.41Å; F143-L181 HydrophobicContact CE1-CD2 4.23Å
144S86.3Confident83.9Confident78 Ų7859.5 Ų59.555%0.54528%0.283SS..THydrogen-bonded Turntrans-103.24.2169.855.90000114.3K140 R141 I142K140-S144 WeakPolarHBondContact O-CB 3.36Å; K140-S144 PolarHBondContact O-N 3.18Å; K140-S144 PolarHBondContact O-OG 2.98Å; R141-S144 PolarHBondContact O-N 2.97Å; R141-S144 PolarHBondContact O-OG 3.35Å; R141-S144 VanDerWaalsContact O-OG 3.04Å; I142-S144 PolarHBondContact O-N 3.49Å; I142-S144 VanDerWaalsContact O-N 3.14Å
145L84.9Confident84.2Confident27 Ų2760 Ų6014%0.14129%0.286CS..SBendtrans-72.6151.3172.1-58.2176.7000111.4T115 R141 I142 T149 Y150T115-L145 HydrophobicContact CG2-CD1 4.49Å; T115-L145 HydrophobicContact CG2-CD2 4.27Å; R141-L145 WeakPolarHBondContact O-CG 3.33Å; I142-L145 HydrophobicContact CD1-CD1 4Å; I142-L145 WeakPolarHBondContact O-CB 3.11Å; I142-L145 WeakPolarHBondContact O-CG 3.24Å; I142-L145 PolarHBondContact O-N 3.21Å; I142-L145 VanDerWaalsContact O-N 3.11Å; L145-T149 HydrophobicContact CD1-CG2 4.27Å; L145-Y150 HydrophobicContact CB-CE1 4.39Å; L145-Y150 WeakPolarHBondContact CB-OH 3.35Å; L145-Y150 PolarHBondContact O-OH 3.29Å
146D81.5Confident84.3Confident102 Ų10260.2 Ų60.255%0.54529%0.288SS..  trans-66.5152.9-178178.160.6000112.7S148 T149 Y150D146-S148 PolarHBondContact O-N 2.83Å; D146-S148 VanDerWaalsContact O-N 3.09Å; D146-S148 WeakPolarHBondContact OD2-CB 3.44Å; D146-S148 PolarHBondContact OD2-N 3.31Å; D146-S148 PolarHBondContact OD2-OG 3.03Å; D146-T149 WeakPolarHBondContact O-CB 3.39Å; D146-T149 PolarHBondContact O-N 3.29Å; D146-T149 PolarHBondContact O-OG1 3.47Å; D146-Y150 VanDerWaalsContact O-CE2 3.32Å; D146-Y150 WeakPolarHBondContact O-CE2 3.49Å
147K76.7Confident84.7Confident140 Ų14056.9 Ų56.961%0.60927%0.272SS*.G310 helixtrans-56.2-29.1179.6-69.7-178.5-177.3171.80113.5T149 Y150K147-T149 PolarHBondContact O-N 3.07Å; K147-Y150 PolarHBondContact O-N 3.41Å
148S76.3Confident85Confident65 Ų6555.1 Ų55.146%0.45526%0.264SS..G310 helixtrans-65.1-25.2178.862.10000113.9D146 Y150 K151D146-S148 PolarHBondContact O-N 2.83Å; D146-S148 VanDerWaalsContact O-N 3.09Å; D146-S148 WeakPolarHBondContact OD2-CB 3.44Å; D146-S148 PolarHBondContact OD2-N 3.31Å; D146-S148 PolarHBondContact OD2-OG 3.03Å; S148-Y150 VanDerWaalsContact C-N 3.32Å; S148-Y150 PolarHBondContact O-N 2.86Å; S148-K151 WeakPolarHBondContact O-CG 3.32Å
149T74.1Confident85.1Confident48 Ų4855.2 Ų55.229%0.29426%0.264SS..G310 helixtrans-64.4-35.2177-530000112L145 D146 K147 K151 I155L145-T149 HydrophobicContact CD1-CG2 4.27Å; D146-T149 WeakPolarHBondContact O-CB 3.39Å; D146-T149 PolarHBondContact O-N 3.29Å; D146-T149 PolarHBondContact O-OG1 3.47Å; K147-T149 PolarHBondContact O-N 3.07Å; T149-K151 PolarHBondContact O-N 2.89Å; T149-K151 VanDerWaalsContact O-N 3.14Å; T149-I155 HydrophobicContact CG2-CD1 4.42Å; T149-I155 WeakPolarHBondContact O-CD1 3.34Å
150Y75.1Confident85.3Confident11 Ų1155.2 Ų55.24%0.04326%0.264CS..G310 helixtrans-82.110-168.8-45.7-58000115.4I142 L145 D146 K147 S148 R152 I155 I159 Y184I142-Y150 PolarHBondContact O-OH 2.62Å; L145-Y150 HydrophobicContact CB-CE1 4.39Å; L145-Y150 WeakPolarHBondContact CB-OH 3.35Å; L145-Y150 PolarHBondContact O-OH 3.29Å; D146-Y150 VanDerWaalsContact O-CE2 3.32Å; D146-Y150 WeakPolarHBondContact O-CE2 3.49Å; K147-Y150 PolarHBondContact O-N 3.41Å; S148-Y150 VanDerWaalsContact C-N 3.32Å; S148-Y150 PolarHBondContact O-N 2.86Å; Y150-R152 VanDerWaalsContact C-N 3.28Å; Y150-R152 PolarHBondContact O-N 3.03Å; Y150-I155 HydrophobicContact CD1-CG2 3.98Å; Y150-I159 HydrophobicContact CD1-CD1 3.3Å; Y150-I159 HydrophobicContact CE1-CD1 3.59Å; Y150-I159 HydrophobicContact CG-CD1 4.2Å; Y150-Y184 VanDerWaalsContact CB-O 3.29Å; Y150-Y184 WeakPolarHBondContact CB-O 3.23Å; Y150-Y184 AromaticContact CD2-CD1 3.46Å; Y150-Y184 HydrophobicContact CD2-CD1 3.46Å; Y150-Y184 VanDerWaalsContact CD2-CD1 3.46Å; Y150-Y184 HydrophobicContact CD2-CE1 4.39Å; Y150-Y184 AromaticContact CD2-CG 3.85Å; Y150-Y184 HydrophobicContact CD2-CG 3.85Å; Y150-Y184 AromaticContact CE2-CD1 3.21Å; Y150-Y184 HydrophobicContact CE2-CD1 3.21Å; Y150-Y184 AromaticContact CE2-CE1 3.72Å; Y150-Y184 HydrophobicContact CE2-CE1 3.72Å; Y150-Y184 AromaticContact CE2-CG 3.81Å; Y150-Y184 HydrophobicContact CE2-CG 3.81Å; Y150-Y184 HydrophobicContact CG-CD1 4.48Å; Y150-Y184 HydrophobicContact CG-CG 4.49Å
151K76.3Confident85.5Confident172 Ų17249.4 Ų49.475%0.74824%0.239SC*.G310 helixtrans-69.7-16.2-174.7-71177177.8177.60115.3S148 T149S148-K151 WeakPolarHBondContact O-CG 3.32Å; T149-K151 PolarHBondContact O-N 2.89Å; T149-K151 VanDerWaalsContact O-N 3.14Å
152R84.1Confident85.8Confident147 Ų14745.5 Ų45.556%0.55522%0.224SC*.SBendtrans-97.5139.6-179.2-66.5-177.6179.6155.2-1.3111.5E114 Y150 E154 I155 A156E114-R152 IonicContact OE1-NH1 3.35Å; Y150-R152 VanDerWaalsContact C-N 3.28Å; Y150-R152 PolarHBondContact O-N 3.03Å; R152-E154 VanDerWaalsContact C-N 3.28Å; R152-E154 PolarHBondContact O-N 2.84Å; R152-I155 HydrophobicContact CB-CB 4.39Å; R152-I155 HydrophobicContact CB-CD1 4.09Å; R152-I155 HydrophobicContact CB-CG1 4.13Å; R152-I155 HydrophobicContact CG-CD1 4.49Å; R152-I155 WeakPolarHBondContact O-CB 3.44Å; R152-I155 PolarHBondContact O-N 3.36Å; R152-I155 VanDerWaalsContact O-N 3.07Å; R152-A156 PolarHBondContact O-N 3.36Å; R152-A156 VanDerWaalsContact O-N 3.11Å
153H89Confident85.9Confident51 Ų5145.8 Ų45.824%0.23623%0.225CC..Hα-helixtrans-60.8-37177.4-61.792.1000112.6I155 A156 I157 S189 W193H153-I155 PolarHBondContact O-N 2.87Å; H153-A156 WeakPolarHBondContact O-CB 3.27Å; H153-A156 PolarHBondContact O-N 3.28Å; H153-A156 VanDerWaalsContact O-N 3.13Å; H153-I157 WeakPolarHBondContact O-CG1 3.48Å; H153-I157 PolarHBondContact O-N 3.5Å; H153-S189 PolarHBondContact NE2-O 3.18Å; H153-S189 PolarHBondContact NE2-OG 3.3Å; H153-W193 HydrophobicContact CB-CD2 3.49Å; H153-W193 VanDerWaalsContact CB-CD2 3.49Å; H153-W193 HydrophobicContact CB-CE3 4.04Å; H153-W193 HydrophobicContact CB-CG 3.74Å; H153-W193 HydrophobicContact CB-CH2 4.28Å; H153-W193 HydrophobicContact CB-CZ2 3.72Å; H153-W193 HydrophobicContact CB-CZ3 4.43Å; H153-W193 VanDerWaalsContact CD2-CB 3.45Å; H153-W193 WeakPolarHBondContact CD2-CB 3.12Å; H153-W193 AromaticContact CD2-CD1 3.82Å; H153-W193 AromaticContact CD2-CG 3.56Å; H153-W193 AromaticContact CE1-CD1 3.85Å; H153-W193 AromaticContact CG-CD1 3.38Å; H153-W193 AromaticContact CG-CD2 3.84Å; H153-W193 AromaticContact CG-CE2 3.92Å; H153-W193 AromaticContact CG-CG 3.49Å; H153-W193 VanDerWaalsContact CG-CG 3.49Å; H153-W193 AromaticContact CG-NE1 3.65Å; H153-W193 AromaticContact ND1-CD1 3.44Å; H153-W193 AromaticContact ND1-CG 4Å; H153-W193 AromaticContact ND1-NE1 3.77Å
154E88.3Confident86.1Confident54 Ų5445.9 Ų45.925%0.25223%0.226SC..Hα-helixtrans-64.3-22.4176.7-60.778.4-172.900113.1R152 R158 W193 R197 L232R152-E154 VanDerWaalsContact C-N 3.28Å; R152-E154 PolarHBondContact O-N 2.84Å; E154-R158 WeakPolarHBondContact O-CG 3.09Å; E154-R158 PolarHBondContact O-N 3.38Å; E154-R158 PolarHBondContact O-NH1 3.27Å; E154-R158 VanDerWaalsContact O-NH1 3.1Å; E154-W193 HydrophobicContact CG-CH2 4.49Å; E154-W193 HydrophobicContact CG-CZ2 4.08Å; E154-W193 WeakPolarHBondContact OE1-CZ2 3.13Å; E154-R197 IonicContact OE1-NH2 2.89Å; E154-R197 PolarHBondContact OE1-NH2 3.11Å; E154-L232 HydrophobicContact CB-CD2 4.12Å
155I88.3Confident86.3Confident11 Ų1142.7 Ų42.76%0.05620%0.202CC..Hα-helixtrans-86-40.1174.2-66.7177.9000109.8I116 T149 Y150 R152 H153 I157 R158 I159I116-I155 HydrophobicContact CD1-CG2 3.99Å; I116-I155 HydrophobicContact CG1-CB 4.43Å; I116-I155 HydrophobicContact CG1-CG1 4.19Å; I116-I155 HydrophobicContact CG1-CG2 3.97Å; I116-I155 HydrophobicContact CG2-CD1 4.44Å; I116-I155 HydrophobicContact CG2-CG1 4.33Å; T149-I155 HydrophobicContact CG2-CD1 4.42Å; T149-I155 WeakPolarHBondContact O-CD1 3.34Å; Y150-I155 HydrophobicContact CD1-CG2 3.98Å; R152-I155 HydrophobicContact CB-CB 4.39Å; R152-I155 HydrophobicContact CB-CD1 4.09Å; R152-I155 HydrophobicContact CB-CG1 4.13Å; R152-I155 HydrophobicContact CG-CD1 4.49Å; R152-I155 WeakPolarHBondContact O-CB 3.44Å; R152-I155 PolarHBondContact O-N 3.36Å; R152-I155 VanDerWaalsContact O-N 3.07Å; H153-I155 PolarHBondContact O-N 2.87Å; I155-I157 VanDerWaalsContact C-N 3.34Å; I155-I157 PolarHBondContact O-N 3.49Å; I155-R158 PolarHBondContact O-N 2.88Å; I155-I159 HydrophobicContact CG2-CD1 4.11Å; I155-I159 WeakPolarHBondContact O-CG1 3.44Å; I155-I159 PolarHBondContact O-N 3.38Å
156A90.2Very high86.5Confident4 Ų441.4 Ų41.43%0.03320%0.195CC..Hα-helixtrans-60.2-41.3172.600000112.5R152 H153 I159 L160 L185 V190R152-A156 PolarHBondContact O-N 3.36Å; R152-A156 VanDerWaalsContact O-N 3.11Å; H153-A156 WeakPolarHBondContact O-CB 3.27Å; H153-A156 PolarHBondContact O-N 3.28Å; H153-A156 VanDerWaalsContact O-N 3.13Å; A156-I159 PolarHBondContact O-N 3.19Å; A156-L160 WeakPolarHBondContact O-CG 3.28Å; A156-L160 PolarHBondContact O-N 3.29Å; A156-L185 HydrophobicContact CB-CD2 3.63Å; A156-V190 HydrophobicContact CB-CG2 3.64Å
157I92.1Very high86.8Confident0 Ų039.7 Ų39.70%019%0.186CC..Hα-helixtrans-61.5-46.8174-67.8-63.4000111H153 I155 I159 L160 M161 V190 W193 M194 L228 L231 L232H153-I157 WeakPolarHBondContact O-CG1 3.48Å; H153-I157 PolarHBondContact O-N 3.5Å; I155-I157 VanDerWaalsContact C-N 3.34Å; I155-I157 PolarHBondContact O-N 3.49Å; I157-I159 VanDerWaalsContact C-N 3.3Å; I157-I159 PolarHBondContact O-N 2.95Å; I157-L160 WeakPolarHBondContact O-CB 3.41Å; I157-L160 PolarHBondContact O-N 2.95Å; I157-L160 VanDerWaalsContact O-N 3.12Å; I157-M161 HydrophobicContact CG2-CG 4.32Å; I157-M161 HydrophobicContact CG2-SD 3.71Å; I157-M161 VanDerWaalsContact O-CG 3.28Å; I157-M161 WeakPolarHBondContact O-CG 3.34Å; I157-M161 PolarHBondContact O-N 3.11Å; I157-V190 HydrophobicContact CD1-CG1 4.29Å; I157-W193 HydrophobicContact CD1-CZ3 4.06Å; I157-W193 HydrophobicContact CG1-CE3 4.5Å; I157-W193 HydrophobicContact CG1-CH2 4.07Å; I157-W193 HydrophobicContact CG1-CZ3 3.65Å; I157-M194 HydrophobicContact CD1-CE 4.18Å; I157-M194 HydrophobicContact CD1-CG 3.94Å; I157-M194 HydrophobicContact CD1-SD 3.92Å; I157-L228 HydrophobicContact CD1-CD2 4.09Å; I157-L228 HydrophobicContact CG2-CB 4.31Å; I157-L228 VanDerWaalsContact CG2-O 3.31Å; I157-L228 WeakPolarHBondContact CG2-O 3.47Å; I157-L231 HydrophobicContact CD1-CD1 4.11Å; I157-L232 HydrophobicContact CB-CD2 4.01Å; I157-L232 HydrophobicContact CG2-CD2 3.73Å; I157-L232 HydrophobicContact CG2-CG 4.05Å
158R91.9Very high87.3Confident11 Ų1138.7 Ų38.74%0.04219%0.187CC..Hα-helixtrans-58.1-39.2175.1-76.8174.8172.691.3-8.5113.1I116 V119 D120 E154 I155 M161 L162 L232I116-R158 HydrophobicContact CD1-CB 4.34Å; I116-R158 HydrophobicContact CG1-CB 4.32Å; V119-R158 HydrophobicContact CB-CB 4.37Å; V119-R158 HydrophobicContact CG1-CB 4.16Å; V119-R158 HydrophobicContact CG1-CG 4.49Å; D120-R158 IonicContact OD1-CZ 3.68Å; D120-R158 IonicContact OD1-NE 2.83Å; D120-R158 PolarHBondContact OD1-NE 3.3Å; D120-R158 IonicContact OD1-NH2 3.21Å; D120-R158 IonicContact OD2-CZ 3.67Å; D120-R158 IonicContact OD2-NE 3.89Å; D120-R158 PolarHBondContact OD2-NE 3.23Å; D120-R158 IonicContact OD2-NH2 2.67Å; D120-R158 PolarHBondContact OD2-NH2 3.5Å; E154-R158 WeakPolarHBondContact O-CG 3.09Å; E154-R158 PolarHBondContact O-N 3.38Å; E154-R158 PolarHBondContact O-NH1 3.27Å; E154-R158 VanDerWaalsContact O-NH1 3.1Å; I155-R158 PolarHBondContact O-N 2.88Å; R158-M161 WeakPolarHBondContact O-CB 3.44Å; R158-M161 PolarHBondContact O-N 3.37Å; R158-L162 WeakPolarHBondContact O-CB 3.28Å; R158-L162 PolarHBondContact O-N 3.23Å; R158-L232 HydrophobicContact CG-CD1 3.98Å
159I91.6Very high87.6Confident1 Ų137.6 Ų37.61%0.00518%0.176CC..Hα-helixtrans-65.9-39.9176.3-71.6163.5000111.6I116 I142 F143 Y150 I155 A156 I157 H163 L181 L185I116-I159 HydrophobicContact CD1-CG1 4.39Å; I142-I159 HydrophobicContact CG2-CG1 4.35Å; F143-I159 HydrophobicContact CE1-CG2 4.29Å; Y150-I159 HydrophobicContact CD1-CD1 3.3Å; Y150-I159 HydrophobicContact CE1-CD1 3.59Å; Y150-I159 HydrophobicContact CG-CD1 4.2Å; I155-I159 HydrophobicContact CG2-CD1 4.11Å; I155-I159 WeakPolarHBondContact O-CG1 3.44Å; I155-I159 PolarHBondContact O-N 3.38Å; A156-I159 PolarHBondContact O-N 3.19Å; I157-I159 VanDerWaalsContact C-N 3.3Å; I157-I159 PolarHBondContact O-N 2.95Å; I159-H163 VanDerWaalsContact O-CB 3.31Å; I159-H163 WeakPolarHBondContact O-CB 3.38Å; I159-H163 PolarHBondContact O-N 3.45Å; I159-L181 HydrophobicContact CG2-CD2 3.87Å; I159-L185 HydrophobicContact CB-CD2 4.19Å; I159-L185 HydrophobicContact CD1-CD2 4.17Å; I159-L185 HydrophobicContact CG2-CD1 4.26Å; I159-L185 HydrophobicContact CG2-CD2 4.08Å
160L92.4Very high88Confident2 Ų236.4 Ų36.41%0.0117%0.167CC..Hα-helixtrans-65.8-37.9173.4-65.7170.3000111.7A156 I157 K164 L185 V190 I216 L219 L220 L228A156-L160 WeakPolarHBondContact O-CG 3.28Å; A156-L160 PolarHBondContact O-N 3.29Å; I157-L160 WeakPolarHBondContact O-CB 3.41Å; I157-L160 PolarHBondContact O-N 2.95Å; I157-L160 VanDerWaalsContact O-N 3.12Å; L160-K164 VanDerWaalsContact O-CB 3.22Å; L160-K164 WeakPolarHBondContact O-CB 3.33Å; L160-K164 PolarHBondContact O-N 2.74Å; L160-L185 HydrophobicContact CD2-CD1 3.91Å; L160-L185 HydrophobicContact CG-CD1 4.27Å; L160-V190 HydrophobicContact CD1-CG1 4.22Å; L160-I216 HydrophobicContact CD2-CG2 4.12Å; L160-L219 HydrophobicContact CD1-CB 4.48Å; L160-L219 HydrophobicContact CD1-CD1 4.15Å; L160-L220 HydrophobicContact CB-CD2 3.96Å; L160-L220 HydrophobicContact CD2-CD1 4.38Å; L160-L220 HydrophobicContact CD2-CD2 3.77Å; L160-L220 HydrophobicContact CD2-CG 3.9Å; L160-L220 HydrophobicContact CG-CD2 4.48Å; L160-L220 WeakPolarHBondContact O-CD2 3.18Å; L160-L228 HydrophobicContact CB-CD1 4.44Å
161M93.1Very high88.3Confident1 Ų140 Ų401%0.00519%0.193CC..Hα-helixtrans-64.6-48.2174.7-67.9167.671.300111.9L123 I157 R158 K164 W165 L225 L228 A229 L232 M569L123-M161 HydrophobicContact CD1-CB 3.77Å; L123-M161 HydrophobicContact CD1-CE 3.75Å; I157-M161 HydrophobicContact CG2-CG 4.32Å; I157-M161 HydrophobicContact CG2-SD 3.71Å; I157-M161 VanDerWaalsContact O-CG 3.28Å; I157-M161 WeakPolarHBondContact O-CG 3.34Å; I157-M161 PolarHBondContact O-N 3.11Å; R158-M161 WeakPolarHBondContact O-CB 3.44Å; R158-M161 PolarHBondContact O-N 3.37Å; M161-K164 PolarHBondContact O-N 2.85Å; M161-W165 VanDerWaalsContact O-CB 3.28Å; M161-W165 WeakPolarHBondContact O-CB 3.44Å; M161-W165 PolarHBondContact O-N 3.3Å; M161-L225 HydrophobicContact CB-CD1 3.7Å; M161-L225 HydrophobicContact CG-CD1 3.96Å; M161-L228 HydrophobicContact CG-CB 3.42Å; M161-L228 VanDerWaalsContact CG-CB 3.42Å; M161-L228 HydrophobicContact CG-CD1 4.01Å; M161-L228 HydrophobicContact CG-CG 4.32Å; M161-L228 HydrophobicContact SD-CB 3.93Å; M161-A229 HydrophobicContact CE-CB 3.77Å; M161-L232 HydrophobicContact CE-CD1 4.3Å; M161-L232 HydrophobicContact SD-CD1 3.91Å; M161-L232 HydrophobicContact SD-CG 4.4Å; M161-M569 HydrophobicContact CE-CE 4.16Å
162L92.5Very high88.5Confident0 Ų038.3 Ų38.30%019%0.188CC..Hα-helixtrans-58.7-50.4175.7176.764.4000111.1V119 L122 V138 I142 F143 R158 K164 W165 L166V119-L162 HydrophobicContact CG1-CB 4.08Å; V119-L162 HydrophobicContact CG2-CB 4.12Å; V119-L162 HydrophobicContact CG2-CD2 4.08Å; V119-L162 HydrophobicContact CG2-CG 4.48Å; L122-L162 HydrophobicContact CD2-CD1 3.66Å; V138-L162 HydrophobicContact CG1-CD1 4.07Å; V138-L162 HydrophobicContact CG1-CD2 4.48Å; I142-L162 HydrophobicContact CB-CD2 3.94Å; I142-L162 HydrophobicContact CG1-CD2 4.13Å; I142-L162 HydrophobicContact CG2-CD2 3.95Å; F143-L162 HydrophobicContact CE1-CD2 4.32Å; F143-L162 HydrophobicContact CE2-CD2 4.17Å; F143-L162 HydrophobicContact CZ-CD2 3.82Å; F143-L162 HydrophobicContact CZ-CG 4.33Å; R158-L162 WeakPolarHBondContact O-CB 3.28Å; R158-L162 PolarHBondContact O-N 3.23Å; L162-K164 PolarHBondContact O-N 2.84Å; L162-W165 PolarHBondContact O-N 2.67Å; L162-L166 HydrophobicContact CD1-CD1 4.04Å; L162-L166 HydrophobicContact CD1-CG 4.23Å; L162-L166 HydrophobicContact CG-CD1 4Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 VanDerWaalsContact O-CG 3.29Å; L162-L166 WeakPolarHBondContact O-CG 3.18Å; L162-L166 PolarHBondContact O-N 3.03Å
163H91.9Very high88.4Confident5 Ų531.6 Ų31.62%0.02316%0.163CC..Hα-helixtrans-62-44.2-179.2-165.4-86.6000111.5I159 L166 D167 P176 Y178I159-H163 VanDerWaalsContact O-CB 3.31Å; I159-H163 WeakPolarHBondContact O-CB 3.38Å; I159-H163 PolarHBondContact O-N 3.45Å; H163-L166 PolarHBondContact O-N 3.15Å; H163-D167 PolarHBondContact O-N 3.4Å; H163-P176 PolarHBondContact NE2-O 3.16Å; H163-Y178 AromaticContact CE1-CE1 3.63Å
164K91.4Very high88Confident34 Ų3436.6 Ų36.615%0.14819%0.191CC..Hα-helixtrans-63.9-41.1174.9-176.1159.9-173.7151.20113.1L160 M161 L162 D167 L168 L220 F223L160-K164 VanDerWaalsContact O-CB 3.22Å; L160-K164 WeakPolarHBondContact O-CB 3.33Å; L160-K164 PolarHBondContact O-N 2.74Å; M161-K164 PolarHBondContact O-N 2.85Å; L162-K164 PolarHBondContact O-N 2.84Å; K164-D167 PolarHBondContact O-N 2.94Å; K164-L168 HydrophobicContact CG-CD1 3.96Å; K164-L168 HydrophobicContact CG-CG 4.49Å; K164-L168 WeakPolarHBondContact O-CB 3.44Å; K164-L168 VanDerWaalsContact O-CG 3.26Å; K164-L168 WeakPolarHBondContact O-CG 3.31Å; K164-L168 PolarHBondContact O-N 3.43Å; K164-L220 HydrophobicContact CB-CD2 3.98Å; K164-L220 PolarHBondContact NZ-O 3.02Å; K164-F223 PolarHBondContact NZ-O 2.82Å
165W90.9Very high87.8Confident10 Ų1036.6 Ų36.64%0.03819%0.19CC..Hα-helixtrans-67.7-38.4178.3-179.899.7000111.6L122 L123 T128 M161 L162 L168 N169 F170 L225L122-W165 HydrophobicContact CD1-CH2 3.64Å; L122-W165 HydrophobicContact CD1-CZ2 4.09Å; L122-W165 HydrophobicContact CD1-CZ3 4.12Å; L122-W165 HydrophobicContact CD2-CE3 3.95Å; L122-W165 HydrophobicContact CD2-CH2 4.07Å; L122-W165 HydrophobicContact CD2-CZ3 3.7Å; L122-W165 HydrophobicContact CG-CE3 4.43Å; L122-W165 HydrophobicContact CG-CH2 3.9Å; L122-W165 HydrophobicContact CG-CZ2 4.13Å; L122-W165 HydrophobicContact CG-CZ3 4.06Å; L123-W165 HydrophobicContact CD2-CB 3.65Å; L123-W165 HydrophobicContact CD2-CD2 4.04Å; L123-W165 HydrophobicContact CD2-CG 3.37Å; T128-W165 HydrophobicContact CG2-CZ2 3.8Å; M161-W165 VanDerWaalsContact O-CB 3.28Å; M161-W165 WeakPolarHBondContact O-CB 3.44Å; M161-W165 PolarHBondContact O-N 3.3Å; L162-W165 PolarHBondContact O-N 2.67Å; W165-L168 PolarHBondContact O-N 2.92Å; W165-N169 PolarHBondContact NE1-ND2 2.87Å; W165-N169 WeakPolarHBondContact O-CB 3.4Å; W165-N169 PolarHBondContact O-N 2.82Å; W165-N169 PolarHBondContact O-ND2 3.18Å; W165-F170 AromaticContact CH2-CD2 3.64Å; W165-F170 HydrophobicContact CH2-CD2 3.64Å; W165-F170 AromaticContact CH2-CE2 3.52Å; W165-F170 HydrophobicContact CH2-CE2 3.52Å; W165-F170 HydrophobicContact CZ2-CD2 4.49Å; W165-F170 HydrophobicContact CZ2-CE2 4.15Å; W165-F170 AromaticContact CZ3-CD2 3.71Å; W165-F170 HydrophobicContact CZ3-CD2 3.71Å; W165-F170 HydrophobicContact CZ3-CE2 4.11Å; W165-L225 HydrophobicContact CB-CD2 4.29Å
166L89.5Confident87.7Confident0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-63.9-42.7172.6-70168.9000111.4A139 F143 L162 H163 L168 F170 S171 V173 K175A139-L166 HydrophobicContact CB-CD1 3.88Å; F143-L166 HydrophobicContact CE2-CD1 4.22Å; L162-L166 HydrophobicContact CD1-CD1 4.04Å; L162-L166 HydrophobicContact CD1-CG 4.23Å; L162-L166 HydrophobicContact CG-CD1 4Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 VanDerWaalsContact O-CG 3.29Å; L162-L166 WeakPolarHBondContact O-CG 3.18Å; L162-L166 PolarHBondContact O-N 3.03Å; H163-L166 PolarHBondContact O-N 3.15Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 3.39Å; L166-F170 CarbonylContact O-C 3.37Å; L166-F170 WeakPolarHBondContact O-CA 3.36Å; L166-F170 PolarHBondContact O-N 3.03Å; L166-S171 PolarHBondContact O-N 2.9Å; L166-V173 HydrophobicContact CD1-CG1 4.4Å; L166-V173 HydrophobicContact CD2-CB 4.08Å; L166-V173 HydrophobicContact CD2-CG1 3.91Å; L166-V173 HydrophobicContact CD2-CG2 4.35Å; L166-K175 HydrophobicContact CB-CD 4.43Å
167D87.5Confident87.6Confident66 Ų6639.8 Ų39.835%0.35321%0.21SC..Hα-helixtrans-61.4-34173.8-88.9-0.3000113.3H163 K164 K175H163-D167 PolarHBondContact O-N 3.4Å; K164-D167 PolarHBondContact O-N 2.94Å; D167-K175 WeakPolarHBondContact OD1-CE 3.46Å; D167-K175 IonicContact OD1-NZ 3.03Å; D167-K175 PolarHBondContact OD1-NZ 2.91Å
168L86.1Confident87.6Confident119 Ų11942.7 Ų42.762%0.62322%0.221SC*.Hα-helixtrans-82.4-31.9-179.2-72.3169.6000114.4K164 W165 L166K164-L168 HydrophobicContact CG-CD1 3.96Å; K164-L168 HydrophobicContact CG-CG 4.49Å; K164-L168 WeakPolarHBondContact O-CB 3.44Å; K164-L168 VanDerWaalsContact O-CG 3.26Å; K164-L168 WeakPolarHBondContact O-CG 3.31Å; K164-L168 PolarHBondContact O-N 3.43Å; W165-L168 PolarHBondContact O-N 2.92Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 3.39Å
169N83.9Confident87.3Confident43 Ų4348.9 Ų48.923%0.2325%0.251CS..Hα-helixtrans-110-43.5-172.8-64.6-90.9000113.2W165 K564W165-N169 PolarHBondContact NE1-ND2 2.87Å; W165-N169 WeakPolarHBondContact O-CB 3.4Å; W165-N169 PolarHBondContact O-N 2.82Å; W165-N169 PolarHBondContact O-ND2 3.18Å; N169-K564 WeakPolarHBondContact OD1-CE 3.38Å; N169-K564 PolarHBondContact OD1-NZ 3.37Å
170F82.1Confident87.1Confident22 Ų2252.7 Ų52.710%0.09627%0.269CS..  trans-138.662.2-166.5-59.8-61.1000110.2T128 P132 W165 L166 H172 V173T128-F170 WeakPolarHBondContact O-CZ 3.29Å; P132-F170 HydrophobicContact CB-CD1 3.92Å; P132-F170 HydrophobicContact CB-CE1 3.7Å; P132-F170 HydrophobicContact CB-CG 4.43Å; P132-F170 HydrophobicContact CB-CZ 4.02Å; P132-F170 HydrophobicContact CG-CE1 4.38Å; W165-F170 AromaticContact CH2-CD2 3.64Å; W165-F170 HydrophobicContact CH2-CD2 3.64Å; W165-F170 AromaticContact CH2-CE2 3.52Å; W165-F170 HydrophobicContact CH2-CE2 3.52Å; W165-F170 HydrophobicContact CZ2-CD2 4.49Å; W165-F170 HydrophobicContact CZ2-CE2 4.15Å; W165-F170 AromaticContact CZ3-CD2 3.71Å; W165-F170 HydrophobicContact CZ3-CD2 3.71Å; W165-F170 HydrophobicContact CZ3-CE2 4.11Å; L166-F170 CarbonylContact O-C 3.37Å; L166-F170 WeakPolarHBondContact O-CA 3.36Å; L166-F170 PolarHBondContact O-N 3.03Å; F170-H172 AromaticContact CD1-CE1 3.88Å; F170-H172 PolarHBondContact O-N 3.16Å; F170-V173 HydrophobicContact CB-CG2 3.79Å; F170-V173 WeakPolarHBondContact O-CB 3.32Å; F170-V173 PolarHBondContact O-N 3.31Å
171S81.4Confident86.8Confident87 Ų8752.6 Ų52.661%0.60827%0.268SS*.THydrogen-bonded Turntrans-57.1-23.6-173.459.30000114.2L166 K175L166-S171 PolarHBondContact O-N 2.9Å; S171-K175 PolarHBondContact O-NZ 3.2Å
172H80.3Confident86.4Confident136 Ų13653.9 Ų53.963%0.6328%0.281SS*.THydrogen-bonded Turntrans-73-18.5175.663-105.6000114.9F170 L174F170-H172 AromaticContact CD1-CE1 3.88Å; F170-H172 PolarHBondContact O-N 3.16Å; H172-L174 PolarHBondContact O-N 3.32Å
173V81.4Confident85.7Confident6 Ų662.4 Ų62.44%0.03631%0.313CS..SBendtrans-67.2127.5-180169.70000110E136 A139 L166 F170 K175E136-V173 HydrophobicContact CB-CG1 4.45Å; E136-V173 HydrophobicContact CB-CG2 4.3Å; E136-V173 HydrophobicContact CG-CG1 3.99Å; E136-V173 HydrophobicContact CG-CG2 4.24Å; A139-V173 HydrophobicContact CB-CG1 3.87Å; L166-V173 HydrophobicContact CD1-CG1 4.4Å; L166-V173 HydrophobicContact CD2-CB 4.08Å; L166-V173 HydrophobicContact CD2-CG1 3.91Å; L166-V173 HydrophobicContact CD2-CG2 4.35Å; F170-V173 HydrophobicContact CB-CG2 3.79Å; F170-V173 WeakPolarHBondContact O-CB 3.32Å; F170-V173 PolarHBondContact O-N 3.31Å; V173-K175 PolarHBondContact O-N 3.39Å
174L80.5Confident85Confident156 Ų15664.8 Ų64.882%0.81732%0.323SS*.  trans-62.5125.5175.9-70.4174.2000110.4H172H172-L174 PolarHBondContact O-N 3.32Å
175K85.5Confident84.8Confident55 Ų5563.6 Ų63.624%0.23932%0.318CS..  trans-144.5153.3-175.662.4-153.4154-159.80109.3F143 L166 D167 S171 V173F143-K175 HydrophobicContact CE2-CB 4.05Å; L166-K175 HydrophobicContact CB-CD 4.43Å; D167-K175 WeakPolarHBondContact OD1-CE 3.46Å; D167-K175 IonicContact OD1-NZ 3.03Å; D167-K175 PolarHBondContact OD1-NZ 2.91Å; S171-K175 PolarHBondContact O-NZ 3.2Å; V173-K175 PolarHBondContact O-N 3.39Å
176P85.8Confident84.7Confident12 Ų1266.9 Ų66.98%0.07834%0.336CS..  trans-57.8145.7178.2-24.933.9000112.5F143 H163 Q180 L181 Y184F143-P176 HydrophobicContact CB-CG 4.03Å; F143-P176 HydrophobicContact CD1-CG 3.57Å; F143-P176 HydrophobicContact CD2-CG 4.06Å; F143-P176 HydrophobicContact CE1-CG 3.99Å; F143-P176 VanDerWaalsContact CE2-CD 3.48Å; F143-P176 HydrophobicContact CE2-CG 4.44Å; F143-P176 VanDerWaalsContact CG-CD 3.49Å; F143-P176 HydrophobicContact CG-CG 3.62Å; F143-P176 HydrophobicContact CZ-CG 4.41Å; H163-P176 PolarHBondContact NE2-O 3.16Å; P176-Q180 VanDerWaalsContact CA-OE1 3.3Å; P176-Q180 HydrophobicContact CB-CB 3.74Å; P176-L181 HydrophobicContact CB-CD2 4Å; P176-L181 HydrophobicContact CB-CG 4.18Å; P176-L181 HydrophobicContact CG-CD2 4.28Å; P176-Y184 HydrophobicContact CB-CE2 4.43Å; P176-Y184 HydrophobicContact CG-CE2 4.22Å
177T88.5Confident84.8Confident70 Ų7067 Ų6743%0.42934%0.337SS..  trans-63.8160.5169.473.40000110.4E179 Q180 L181T177-E179 PolarHBondContact O-N 3.28Å; T177-E179 VanDerWaalsContact O-N 3.1Å; T177-E179 PolarHBondContact OG1-N 3.16Å; T177-Q180 PolarHBondContact O-N 2.86Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.4Å; T177-Q180 PolarHBondContact OG1-N 2.98Å; T177-Q180 VanDerWaalsContact OG1-N 3.17Å; T177-L181 PolarHBondContact O-N 3.41Å
178Y90.7Very high85Confident61 Ų6166.3 Ų66.324%0.23933%0.333CS..Hα-helixtrans-58.1-25.7175.8-56.3-59.8000113.2H163 L181 G182 I216 R217 L220H163-Y178 AromaticContact CE1-CE1 3.63Å; Y178-L181 HydrophobicContact CD1-CD1 4.44Å; Y178-G182 PolarHBondContact O-N 2.88Å; Y178-I216 HydrophobicContact CD1-CG2 3.94Å; Y178-I216 WeakPolarHBondContact O-CD1 3.38Å; Y178-R217 HydrophobicContact CD2-CB 4.5Å; Y178-R217 HydrophobicContact CE2-CB 4.48Å; Y178-R217 HydrophobicContact CE2-CG 4.08Å; Y178-L220 HydrophobicContact CD1-CD1 3.99Å; Y178-L220 HydrophobicContact CE1-CD1 3.52Å
179E86.8Confident85.2Confident141 Ų14163.2 Ų63.266%0.65932%0.322SS*.Hα-helixtrans-76-39.8173.4-64.4177.417200112.3T177 G182 A213T177-E179 PolarHBondContact O-N 3.28Å; T177-E179 VanDerWaalsContact O-N 3.1Å; T177-E179 PolarHBondContact OG1-N 3.16Å; E179-G182 WeakPolarHBondContact O-CA 3.25Å; E179-G182 PolarHBondContact O-N 3.43Å; E179-G182 VanDerWaalsContact O-N 3.13Å; E179-A213 HydrophobicContact CG-CB 3.7Å
180Q86.6Confident85.5Confident81 Ų8161.4 Ų61.438%0.37931%0.312SS..Hα-helixtrans-68-37.9174.4-69.5168.2-18.400111.4P176 T177 G182 R183 Y184P176-Q180 VanDerWaalsContact CA-OE1 3.3Å; P176-Q180 HydrophobicContact CB-CB 3.74Å; T177-Q180 PolarHBondContact O-N 2.86Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.4Å; T177-Q180 PolarHBondContact OG1-N 2.98Å; T177-Q180 VanDerWaalsContact OG1-N 3.17Å; Q180-G182 PolarHBondContact O-N 3.25Å; Q180-R183 VanDerWaalsContact O-CB 3.23Å; Q180-R183 WeakPolarHBondContact O-CB 3.36Å; Q180-R183 PolarHBondContact O-N 3.37Å; Q180-Y184 WeakPolarHBondContact O-CD2 3.04Å
181L86.8Confident86Confident0 Ų060.7 Ų60.70%031%0.309CS..Hα-helixtrans-57.9-35.2168.2-71.2-176.8000111.9F143 I159 P176 T177 Y178 R183 Y184 L185 I216F143-L181 HydrophobicContact CE1-CD2 4.23Å; I159-L181 HydrophobicContact CG2-CD2 3.87Å; P176-L181 HydrophobicContact CB-CD2 4Å; P176-L181 HydrophobicContact CB-CG 4.18Å; P176-L181 HydrophobicContact CG-CD2 4.28Å; T177-L181 PolarHBondContact O-N 3.41Å; Y178-L181 HydrophobicContact CD1-CD1 4.44Å; L181-R183 PolarHBondContact O-N 3.26Å; L181-Y184 HydrophobicContact CD2-CD2 4.31Å; L181-Y184 PolarHBondContact O-N 2.84Å; L181-L185 HydrophobicContact CB-CD1 4.11Å; L181-L185 WeakPolarHBondContact O-CG 3.42Å; L181-L185 PolarHBondContact O-N 2.93Å; L181-I216 HydrophobicContact CB-CD1 3.95Å; L181-I216 HydrophobicContact CB-CG2 4.39Å; L181-I216 HydrophobicContact CD1-CG2 3.88Å
182G84Confident86.4Confident27 Ų2760.7 Ų60.728%0.27830%0.302SS..THydrogen-bonded Turntrans-62.4-6.8171.500000115.6Y178 E179 Q180Y178-G182 PolarHBondContact O-N 2.88Å; E179-G182 WeakPolarHBondContact O-CA 3.25Å; E179-G182 PolarHBondContact O-N 3.43Å; E179-G182 VanDerWaalsContact O-N 3.13Å; Q180-G182 PolarHBondContact O-N 3.25Å
183R78.1Confident87Confident180 Ų18055.5 Ų55.568%0.67928%0.277SS*.THydrogen-bonded Turntrans-90.9-10.6171-54.9176.7173.8-167-5113.2Q180 L181Q180-R183 VanDerWaalsContact O-CB 3.23Å; Q180-R183 WeakPolarHBondContact O-CB 3.36Å; Q180-R183 PolarHBondContact O-N 3.37Å; L181-R183 PolarHBondContact O-N 3.26Å
184Y76.9Confident87.4Confident55 Ų5555.2 Ų55.222%0.21628%0.276CS..THydrogen-bonded Turntrans-114.8-29.5-179.8-48.1-53.6000112.1Y150 P176 Q180 L181Y150-Y184 VanDerWaalsContact CB-O 3.29Å; Y150-Y184 WeakPolarHBondContact CB-O 3.23Å; Y150-Y184 AromaticContact CD2-CD1 3.46Å; Y150-Y184 HydrophobicContact CD2-CD1 3.46Å; Y150-Y184 VanDerWaalsContact CD2-CD1 3.46Å; Y150-Y184 HydrophobicContact CD2-CE1 4.39Å; Y150-Y184 AromaticContact CD2-CG 3.85Å; Y150-Y184 HydrophobicContact CD2-CG 3.85Å; Y150-Y184 AromaticContact CE2-CD1 3.21Å; Y150-Y184 HydrophobicContact CE2-CD1 3.21Å; Y150-Y184 AromaticContact CE2-CE1 3.72Å; Y150-Y184 HydrophobicContact CE2-CE1 3.72Å; Y150-Y184 AromaticContact CE2-CG 3.81Å; Y150-Y184 HydrophobicContact CE2-CG 3.81Å; Y150-Y184 HydrophobicContact CG-CD1 4.48Å; Y150-Y184 HydrophobicContact CG-CG 4.49Å; P176-Y184 HydrophobicContact CB-CE2 4.43Å; P176-Y184 HydrophobicContact CG-CE2 4.22Å; Q180-Y184 WeakPolarHBondContact O-CD2 3.04Å; L181-Y184 HydrophobicContact CD2-CD2 4.31Å; L181-Y184 PolarHBondContact O-N 2.84Å
185L87.1Confident87.8Confident8 Ų849.8 Ų49.84%0.04226%0.257CS..  trans-118.3129.4-173.8-42.4172.6000109.9A156 I159 L160 L181 P187 I216A156-L185 HydrophobicContact CB-CD2 3.63Å; I159-L185 HydrophobicContact CB-CD2 4.19Å; I159-L185 HydrophobicContact CD1-CD2 4.17Å; I159-L185 HydrophobicContact CG2-CD1 4.26Å; I159-L185 HydrophobicContact CG2-CD2 4.08Å; L160-L185 HydrophobicContact CD2-CD1 3.91Å; L160-L185 HydrophobicContact CG-CD1 4.27Å; L181-L185 HydrophobicContact CB-CD1 4.11Å; L181-L185 WeakPolarHBondContact O-CG 3.42Å; L181-L185 PolarHBondContact O-N 2.93Å; L185-P187 VanDerWaalsContact O-CD 3.27Å; L185-P187 WeakPolarHBondContact O-CD 3.49Å; L185-I216 HydrophobicContact CD1-CD1 4.34Å
186D88.6Confident87.9Confident80 Ų8054.3 Ų54.343%0.42828%0.283SS..  trans-87.5105.8154.3172.628.3000108.9N188 S189 V190D186-N188 PolarHBondContact O-N 3.38Å; D186-N188 WeakPolarHBondContact OD1-CB 3.34Å; D186-N188 PolarHBondContact OD1-N 3.01Å; D186-N188 PolarHBondContact OD1-ND2 3.36Å; D186-S189 PolarHBondContact O-N 3.38Å; D186-S189 WeakPolarHBondContact OD2-CB 3.48Å; D186-S189 PolarHBondContact OD2-N 3.21Å; D186-V190 VanDerWaalsContact O-CG2 3.3Å; D186-V190 WeakPolarHBondContact O-CG2 3.41Å; D186-V190 PolarHBondContact O-N 2.88Å
187P91.4Very high88Confident2 Ų255.1 Ų55.11%0.01328%0.284CS..Hα-helixtrans-65.9-19.6-179.529-36.3000112.8L185 L191 W207 V212 K215 I216 L219L185-P187 VanDerWaalsContact O-CD 3.27Å; L185-P187 WeakPolarHBondContact O-CD 3.49Å; P187-L191 VanDerWaalsContact O-CB 3.29Å; P187-L191 WeakPolarHBondContact O-CB 3.29Å; P187-L191 PolarHBondContact O-N 2.75Å; P187-W207 HydrophobicContact CB-CH2 4.13Å; P187-W207 HydrophobicContact CB-CZ2 4.1Å; P187-W207 VanDerWaalsContact O-CZ2 3.31Å; P187-W207 WeakPolarHBondContact O-CZ2 3.47Å; P187-V212 HydrophobicContact CG-CG1 4.08Å; P187-K215 HydrophobicContact CB-CB 3.84Å; P187-K215 HydrophobicContact CG-CB 3.75Å; P187-K215 HydrophobicContact CG-CD 4.05Å; P187-I216 HydrophobicContact CB-CG1 3.99Å; P187-I216 HydrophobicContact CG-CG1 4.19Å; P187-L219 HydrophobicContact CB-CD1 4.01Å
188N91.6Very high87.9Confident52 Ų5253.5 Ų53.528%0.27827%0.273SS..Hα-helixtrans-72.4-55.2177.9-49.4-82.7000110.3D186 V190 L191 D192 W207 K215D186-N188 PolarHBondContact O-N 3.38Å; D186-N188 WeakPolarHBondContact OD1-CB 3.34Å; D186-N188 PolarHBondContact OD1-N 3.01Å; D186-N188 PolarHBondContact OD1-ND2 3.36Å; N188-V190 VanDerWaalsContact C-N 3.26Å; N188-V190 PolarHBondContact O-N 2.64Å; N188-L191 PolarHBondContact O-N 2.88Å; N188-L191 VanDerWaalsContact O-N 3.12Å; N188-D192 PolarHBondContact O-N 3.22Å; N188-W207 PolarHBondContact OD1-NE1 3.31Å; N188-K215 WeakPolarHBondContact OD1-CE 3.32Å; N188-K215 PolarHBondContact OD1-NZ 3.06Å
189S90.8Very high87.5Confident54 Ų5461.5 Ų61.538%0.37830%0.302SS..Hα-helixtrans-55.6-39.8172.6-176.70000112.3H153 D186 W193H153-S189 PolarHBondContact NE2-O 3.18Å; H153-S189 PolarHBondContact NE2-OG 3.3Å; D186-S189 PolarHBondContact O-N 3.38Å; D186-S189 WeakPolarHBondContact OD2-CB 3.48Å; D186-S189 PolarHBondContact OD2-N 3.21Å; S189-W193 VanDerWaalsContact O-CB 3.26Å; S189-W193 WeakPolarHBondContact O-CB 3.4Å; S189-W193 PolarHBondContact O-N 2.92Å
190V91.6Very high87.5Confident5 Ų556.4 Ų56.43%0.0328%0.281CS..Hα-helixtrans-63.7-48.2173172.70000112A156 I157 L160 D186 N188 D192 W193 M194 L219A156-V190 HydrophobicContact CB-CG2 3.64Å; I157-V190 HydrophobicContact CD1-CG1 4.29Å; L160-V190 HydrophobicContact CD1-CG1 4.22Å; D186-V190 VanDerWaalsContact O-CG2 3.3Å; D186-V190 WeakPolarHBondContact O-CG2 3.41Å; D186-V190 PolarHBondContact O-N 2.88Å; N188-V190 VanDerWaalsContact C-N 3.26Å; N188-V190 PolarHBondContact O-N 2.64Å; V190-D192 PolarHBondContact O-N 2.92Å; V190-W193 PolarHBondContact O-N 3.09Å; V190-M194 HydrophobicContact CG1-CG 4.28Å; V190-M194 HydrophobicContact CG1-SD 3.7Å; V190-M194 WeakPolarHBondContact O-CB 3.3Å; V190-M194 WeakPolarHBondContact O-CG 3.46Å; V190-M194 PolarHBondContact O-N 3.45Å; V190-L219 HydrophobicContact CG1-CD1 4.15Å
191L92.1Very high87.3Confident7 Ų759.5 Ų59.54%0.03730%0.3CS..Hα-helixtrans-64.8-41.3179.8178.861.8000112.8P187 N188 M194 G195 T200 I202 W207 L219P187-L191 VanDerWaalsContact O-CB 3.29Å; P187-L191 WeakPolarHBondContact O-CB 3.29Å; P187-L191 PolarHBondContact O-N 2.75Å; N188-L191 PolarHBondContact O-N 2.88Å; N188-L191 VanDerWaalsContact O-N 3.12Å; L191-M194 PolarHBondContact O-N 3.06Å; L191-G195 PolarHBondContact O-N 3.46Å; L191-T200 HydrophobicContact CD1-CG2 4.01Å; L191-I202 HydrophobicContact CD1-CD1 3.73Å; L191-I202 HydrophobicContact CD2-CB 4.48Å; L191-I202 HydrophobicContact CD2-CD1 4.48Å; L191-I202 HydrophobicContact CD2-CG2 3.97Å; L191-W207 HydrophobicContact CB-CH2 4.14Å; L191-W207 HydrophobicContact CB-CZ2 3.79Å; L191-W207 HydrophobicContact CD2-CD2 3.47Å; L191-W207 VanDerWaalsContact CD2-CD2 3.47Å; L191-W207 HydrophobicContact CD2-CE3 3.82Å; L191-W207 HydrophobicContact CD2-CG 3.97Å; L191-W207 HydrophobicContact CD2-CH2 3.9Å; L191-W207 HydrophobicContact CD2-CZ2 3.61Å; L191-W207 HydrophobicContact CD2-CZ3 4.01Å; L191-W207 HydrophobicContact CG-CZ2 4.32Å; L191-L219 HydrophobicContact CB-CD2 4.36Å; L191-L219 HydrophobicContact CD1-CD2 4.03Å
192D89.9Confident87.4Confident87 Ų8760.3 Ų60.347%0.46530%0.304SS..Hα-helixtrans-71-35.1179.6-75.6-42.6000111.2N188 V190 G195 L196 K204N188-D192 PolarHBondContact O-N 3.22Å; V190-D192 PolarHBondContact O-N 2.92Å; D192-G195 PolarHBondContact O-N 3.4Å; D192-L196 PolarHBondContact O-N 3.3Å; D192-K204 IonicContact OD1-NZ 2.64Å; D192-K204 PolarHBondContact OD1-NZ 3.35Å
193W91.6Very high87.5Confident27 Ų2767.2 Ų67.210%0.10233%0.327CS..Hα-helixtrans-63.9-45.4169.1177.5101.6000112.4H153 E154 I157 S189 V190 G195 L196 R197 L231H153-W193 HydrophobicContact CB-CD2 3.49Å; H153-W193 VanDerWaalsContact CB-CD2 3.49Å; H153-W193 HydrophobicContact CB-CE3 4.04Å; H153-W193 HydrophobicContact CB-CG 3.74Å; H153-W193 HydrophobicContact CB-CH2 4.28Å; H153-W193 HydrophobicContact CB-CZ2 3.72Å; H153-W193 HydrophobicContact CB-CZ3 4.43Å; H153-W193 VanDerWaalsContact CD2-CB 3.45Å; H153-W193 WeakPolarHBondContact CD2-CB 3.12Å; H153-W193 AromaticContact CD2-CD1 3.82Å; H153-W193 AromaticContact CD2-CG 3.56Å; H153-W193 AromaticContact CE1-CD1 3.85Å; H153-W193 AromaticContact CG-CD1 3.38Å; H153-W193 AromaticContact CG-CD2 3.84Å; H153-W193 AromaticContact CG-CE2 3.92Å; H153-W193 AromaticContact CG-CG 3.49Å; H153-W193 VanDerWaalsContact CG-CG 3.49Å; H153-W193 AromaticContact CG-NE1 3.65Å; H153-W193 AromaticContact ND1-CD1 3.44Å; H153-W193 AromaticContact ND1-CG 4Å; H153-W193 AromaticContact ND1-NE1 3.77Å; E154-W193 HydrophobicContact CG-CH2 4.49Å; E154-W193 HydrophobicContact CG-CZ2 4.08Å; E154-W193 WeakPolarHBondContact OE1-CZ2 3.13Å; I157-W193 HydrophobicContact CD1-CZ3 4.06Å; I157-W193 HydrophobicContact CG1-CE3 4.5Å; I157-W193 HydrophobicContact CG1-CH2 4.07Å; I157-W193 HydrophobicContact CG1-CZ3 3.65Å; S189-W193 VanDerWaalsContact O-CB 3.26Å; S189-W193 WeakPolarHBondContact O-CB 3.4Å; S189-W193 PolarHBondContact O-N 2.92Å; V190-W193 PolarHBondContact O-N 3.09Å; W193-G195 PolarHBondContact O-N 3.44Å; W193-L196 WeakPolarHBondContact O-CB 3.24Å; W193-L196 PolarHBondContact O-N 2.85Å; W193-L196 VanDerWaalsContact O-N 3.09Å; W193-R197 VanDerWaalsContact CH2-NH1 3.32Å; W193-R197 VanDerWaalsContact CZ2-NH2 3.34Å; W193-L231 HydrophobicContact CZ3-CB 4.44Å; W193-L231 HydrophobicContact CZ3-CD2 4.04Å
194M91.4Very high87.8Confident0 Ų064.1 Ų64.10%032%0.318CS..Hα-helixtrans-59.2-38174.1-70.316984.400110.7I157 V190 L191 L196 R197 I198 L219 F223 L228 L231I157-M194 HydrophobicContact CD1-CE 4.18Å; I157-M194 HydrophobicContact CD1-CG 3.94Å; I157-M194 HydrophobicContact CD1-SD 3.92Å; V190-M194 HydrophobicContact CG1-CG 4.28Å; V190-M194 HydrophobicContact CG1-SD 3.7Å; V190-M194 WeakPolarHBondContact O-CB 3.3Å; V190-M194 WeakPolarHBondContact O-CG 3.46Å; V190-M194 PolarHBondContact O-N 3.45Å; L191-M194 PolarHBondContact O-N 3.06Å; M194-L196 PolarHBondContact O-N 2.96Å; M194-R197 PolarHBondContact O-N 2.89Å; M194-I198 WeakPolarHBondContact O-CG1 3.3Å; M194-I198 PolarHBondContact O-N 3.33Å; M194-L219 HydrophobicContact SD-CD2 4.01Å; M194-F223 HydrophobicContact CE-CD1 4.34Å; M194-F223 HydrophobicContact CE-CD2 3.41Å; M194-F223 VanDerWaalsContact CE-CD2 3.41Å; M194-F223 HydrophobicContact CE-CE1 4.43Å; M194-F223 HydrophobicContact CE-CE2 3.51Å; M194-F223 HydrophobicContact CE-CG 3.85Å; M194-F223 HydrophobicContact CE-CZ 4.04Å; M194-F223 HydrophobicContact SD-CE2 4.46Å; M194-L228 HydrophobicContact CE-CD2 3.84Å; M194-L231 HydrophobicContact CB-CD1 4.4Å; M194-L231 HydrophobicContact CE-CD1 3.45Å; M194-L231 VanDerWaalsContact CE-CD1 3.45Å; M194-L231 HydrophobicContact CG-CD1 3.83Å; M194-L231 HydrophobicContact CG-CD2 4.48Å; M194-L231 HydrophobicContact SD-CD1 4.43Å
195G88Confident88.3Confident41 Ų4170.5 Ų70.542%0.42335%0.347SS..Hα-helixtrans-67.3-11.3177.700000115.7L191 D192 W193L191-G195 PolarHBondContact O-N 3.46Å; D192-G195 PolarHBondContact O-N 3.4Å; W193-G195 PolarHBondContact O-N 3.44Å
196L87.2Confident88.2Confident150 Ų15076 Ų7679%0.78537%0.372SS*.Hα-helixtrans-86.5-23169.6-62.1174.4000112.6D192 W193 M194D192-L196 PolarHBondContact O-N 3.3Å; W193-L196 WeakPolarHBondContact O-CB 3.24Å; W193-L196 PolarHBondContact O-N 2.85Å; W193-L196 VanDerWaalsContact O-N 3.09Å; M194-L196 PolarHBondContact O-N 2.96Å
197R88Confident88.4Confident30 Ų3072.8 Ų72.811%0.11335%0.354CS..Hα-helixtrans-103.2-37.9-175.9-71.7-174.2-175.4-1651.4113.1E154 W193 M194 L231 Q234 T236E154-R197 IonicContact OE1-NH2 2.89Å; E154-R197 PolarHBondContact OE1-NH2 3.11Å; W193-R197 VanDerWaalsContact CH2-NH1 3.32Å; W193-R197 VanDerWaalsContact CZ2-NH2 3.34Å; M194-R197 PolarHBondContact O-N 2.89Å; R197-L231 HydrophobicContact CB-CD2 3.5Å; R197-L231 VanDerWaalsContact CB-CD2 3.5Å; R197-L231 HydrophobicContact CG-CD2 4.32Å; R197-L231 PolarHBondContact NH1-O 2.94Å; R197-Q234 VanDerWaalsContact CB-OE1 3.31Å; R197-Q234 PolarHBondContact NH1-O 3.17Å; R197-Q234 PolarHBondContact NH2-O 3.1Å; R197-Q234 PolarHBondContact O-OE1 3.44Å; R197-T236 VanDerWaalsContact NH2-CG2 3.35Å; R197-T236 PolarHBondContact NH2-OG1 3.37Å
198I87.1Confident88.3Confident35 Ų3581.8 Ų81.818%0.17939%0.388CS..SBendtrans-134.8151.2-179.166.3173.3000113M194 T200 F223 T227 L231M194-I198 WeakPolarHBondContact O-CG1 3.3Å; M194-I198 PolarHBondContact O-N 3.33Å; I198-T200 HydrophobicContact CG1-CG2 4.39Å; I198-T200 PolarHBondContact O-N 3.33Å; I198-F223 HydrophobicContact CD1-CD1 3.71Å; I198-F223 HydrophobicContact CD1-CE1 3.54Å; I198-F223 HydrophobicContact CD1-CZ 4.37Å; I198-F223 HydrophobicContact CG1-CE1 4.44Å; I198-T227 HydrophobicContact CD1-CG2 3.59Å; I198-L231 HydrophobicContact CD1-CD1 3.69Å; I198-L231 HydrophobicContact CD1-CD2 4.27Å; I198-L231 HydrophobicContact CD1-CG 4.04Å; I198-L231 HydrophobicContact CG1-CD1 4.37Å; I198-L231 HydrophobicContact CG1-CD2 4.13Å; I198-L231 HydrophobicContact CG1-CG 4.44Å; I198-L231 HydrophobicContact CG2-CD2 3.99Å; I198-L231 HydrophobicContact CG2-CG 4.24Å
199R82.9Confident88.2Confident229 Ų22982.7 Ų82.786%0.86441%0.41SS*.  trans-73.1113.3175.7-178.2175178.2159.5-0.7110.8
200T84.9Confident88.3Confident35 Ų3580.9 Ų80.922%0.21540%0.397CS..  trans-94.1131.8-179.369.20000112.2L191 I198 I202 F223L191-T200 HydrophobicContact CD1-CG2 4.01Å; I198-T200 HydrophobicContact CG1-CG2 4.39Å; I198-T200 PolarHBondContact O-N 3.33Å; T200-I202 VanDerWaalsContact C-N 3.26Å; T200-I202 PolarHBondContact O-N 3.46Å; T200-F223 HydrophobicContact CG2-CE1 4.24Å; T200-F223 HydrophobicContact CG2-CZ 3.73Å
201N84.4Confident88.4Confident145 Ų14584.3 Ų84.378%0.77542%0.418SS*.  trans-86.26.6175.7-72.5-31.5000113.3K203N201-K203 PolarHBondContact O-N 3.17Å
202I87.7Confident88.4Confident17 Ų1787 Ų879%0.08743%0.434CS..  trans-74.8112.4-175.5-68.2168.5000110L191 T200 K204 W207 I218 L219 F223L191-I202 HydrophobicContact CD1-CD1 3.73Å; L191-I202 HydrophobicContact CD2-CB 4.48Å; L191-I202 HydrophobicContact CD2-CD1 4.48Å; L191-I202 HydrophobicContact CD2-CG2 3.97Å; T200-I202 VanDerWaalsContact C-N 3.26Å; T200-I202 PolarHBondContact O-N 3.46Å; I202-K204 PolarHBondContact O-N 3.05Å; I202-W207 HydrophobicContact CD1-CZ3 4.48Å; I202-W207 HydrophobicContact CG2-CB 4.08Å; I202-W207 HydrophobicContact CG2-CD2 4.13Å; I202-W207 HydrophobicContact CG2-CE3 3.61Å; I202-W207 HydrophobicContact CG2-CG 4.36Å; I202-W207 HydrophobicContact CG2-CZ3 4.35Å; I202-I218 HydrophobicContact CD1-CG2 3.91Å; I202-I218 HydrophobicContact CG1-CG2 4.07Å; I202-I218 HydrophobicContact CG2-CG2 4.4Å; I202-L219 HydrophobicContact CD1-CD2 4.12Å; I202-F223 HydrophobicContact CD1-CE2 3.73Å; I202-F223 HydrophobicContact CD1-CZ 4.02Å
203K86.8Confident88.5Confident172 Ų17283.3 Ų83.375%0.74842%0.415SS*.  trans-65.1101.8-177.9-66.1179-179.71760110.9N201 K205 H206 W207N201-K203 PolarHBondContact O-N 3.17Å; K203-K205 PolarHBondContact O-N 3.07Å; K203-H206 HydrophobicContact CB-CB 4.44Å; K203-H206 WeakPolarHBondContact O-CB 3.36Å; K203-H206 PolarHBondContact O-N 3.42Å; K203-W207 PolarHBondContact O-N 3.17Å; K203-W207 VanDerWaalsContact O-N 3.14Å
204K84.7Confident88.6Confident116 Ų11684.2 Ų84.250%0.50442%0.423SS..Hα-helixtrans-51.4-27.1-176-64.5-154.2178.7-152.70115.1D192 I202 R208D192-K204 IonicContact OD1-NZ 2.64Å; D192-K204 PolarHBondContact OD1-NZ 3.35Å; I202-K204 PolarHBondContact O-N 3.05Å; K204-R208 PolarHBondContact O-N 3.33Å
205K85.7Confident88.8Confident189 Ų18985.3 Ų85.382%0.82243%0.427SS*.Hα-helixtrans-66.7-41.7172.9-174.7179.7177.9-176.90112.9K203K203-K205 PolarHBondContact O-N 3.07Å
206H86.6Confident89Confident123 Ų12383.3 Ų83.357%0.56941%0.407SS*.Hα-helixtrans-70.7-49.4176.417755.6000110.1K203 R208 G209 C210K203-H206 HydrophobicContact CB-CB 4.44Å; K203-H206 WeakPolarHBondContact O-CB 3.36Å; K203-H206 PolarHBondContact O-N 3.42Å; H206-R208 VanDerWaalsContact C-N 3.28Å; H206-R208 PolarHBondContact O-N 2.81Å; H206-R208 VanDerWaalsContact O-N 3.15Å; H206-G209 PolarHBondContact O-N 3.13Å; H206-C210 PolarHBondContact O-N 2.85Å; H206-C210 PolarHBondContact O-SG 3.49Å; H206-C210 VanDerWaalsContact O-SG 3.33Å
207W92.1Very high89.3Confident12 Ų1280.4 Ų80.45%0.04539%0.385CS..Hα-helixtrans-49.2-43.4-180-179.1-96.2000114.1P187 N188 L191 I202 K203 G209 C210 K215 I218 L219P187-W207 HydrophobicContact CB-CH2 4.13Å; P187-W207 HydrophobicContact CB-CZ2 4.1Å; P187-W207 VanDerWaalsContact O-CZ2 3.31Å; P187-W207 WeakPolarHBondContact O-CZ2 3.47Å; N188-W207 PolarHBondContact OD1-NE1 3.31Å; L191-W207 HydrophobicContact CB-CH2 4.14Å; L191-W207 HydrophobicContact CB-CZ2 3.79Å; L191-W207 HydrophobicContact CD2-CD2 3.47Å; L191-W207 VanDerWaalsContact CD2-CD2 3.47Å; L191-W207 HydrophobicContact CD2-CE3 3.82Å; L191-W207 HydrophobicContact CD2-CG 3.97Å; L191-W207 HydrophobicContact CD2-CH2 3.9Å; L191-W207 HydrophobicContact CD2-CZ2 3.61Å; L191-W207 HydrophobicContact CD2-CZ3 4.01Å; L191-W207 HydrophobicContact CG-CZ2 4.32Å; I202-W207 HydrophobicContact CD1-CZ3 4.48Å; I202-W207 HydrophobicContact CG2-CB 4.08Å; I202-W207 HydrophobicContact CG2-CD2 4.13Å; I202-W207 HydrophobicContact CG2-CE3 3.61Å; I202-W207 HydrophobicContact CG2-CG 4.36Å; I202-W207 HydrophobicContact CG2-CZ3 4.35Å; K203-W207 PolarHBondContact O-N 3.17Å; K203-W207 VanDerWaalsContact O-N 3.14Å; W207-G209 PolarHBondContact O-N 3.07Å; W207-C210 WeakPolarHBondContact O-CB 3.29Å; W207-C210 PolarHBondContact O-N 3.09Å; W207-K215 HydrophobicContact CD2-CD 4.35Å; W207-K215 HydrophobicContact CD2-CG 3.92Å; W207-K215 HydrophobicContact CE3-CB 4.36Å; W207-K215 HydrophobicContact CE3-CG 3.95Å; W207-K215 HydrophobicContact CH2-CB 3.47Å; W207-K215 VanDerWaalsContact CH2-CB 3.47Å; W207-K215 HydrophobicContact CH2-CD 4.37Å; W207-K215 HydrophobicContact CH2-CG 3.77Å; W207-K215 HydrophobicContact CZ2-CB 3.75Å; W207-K215 HydrophobicContact CZ2-CD 3.79Å; W207-K215 HydrophobicContact CZ2-CG 3.67Å; W207-K215 HydrophobicContact CZ3-CB 3.79Å; W207-K215 HydrophobicContact CZ3-CG 3.9Å; W207-K215 WeakPolarHBondContact CZ3-O 3.35Å; W207-K215 WeakPolarHBondContact O-CE 3.41Å; W207-I218 HydrophobicContact CE3-CG2 4.15Å; W207-I218 HydrophobicContact CZ3-CB 4.13Å; W207-I218 HydrophobicContact CZ3-CG2 3.9Å; W207-L219 HydrophobicContact CH2-CD1 4.16Å; W207-L219 HydrophobicContact CH2-CD2 3.97Å; W207-L219 HydrophobicContact CH2-CG 3.85Å; W207-L219 HydrophobicContact CZ3-CD2 4.3Å; W207-L219 HydrophobicContact CZ3-CG 4.25Å
208R89.5Confident89.5Confident192 Ų19280.6 Ų80.673%0.72539%0.388SS*.THydrogen-bonded Turntrans-66-20.7179.9-75.2-169.1-65.8-128.64.6114.4K204 H206K204-R208 PolarHBondContact O-N 3.33Å; H206-R208 VanDerWaalsContact C-N 3.28Å; H206-R208 PolarHBondContact O-N 2.81Å; H206-R208 VanDerWaalsContact O-N 3.15Å
209G89.5Confident89.8Confident71 Ų7179 Ų7973%0.73238%0.38SS*.THydrogen-bonded Turntrans-93.3-5.3175.200000114.8H206 W207H206-G209 PolarHBondContact O-N 3.13Å; W207-G209 PolarHBondContact O-N 3.07Å
210C92.2Very high90.3Very high16 Ų1668.7 Ų68.711%0.10834%0.342CS..SBendtrans-81.7145.3-178.7-65.40000112.1H206 W207 D214 K215 I218H206-C210 PolarHBondContact O-N 2.85Å; H206-C210 PolarHBondContact O-SG 3.49Å; H206-C210 VanDerWaalsContact O-SG 3.33Å; W207-C210 WeakPolarHBondContact O-CB 3.29Å; W207-C210 PolarHBondContact O-N 3.09Å; C210-D214 HydrophobicContact CB-CB 3.88Å; C210-K215 HydrophobicContact CB-CG 3.76Å; C210-K215 VanDerWaalsContact O-CE 3.25Å; C210-K215 WeakPolarHBondContact O-CE 3.45Å; C210-I218 HydrophobicContact CB-CD1 4.41Å
211T93.3Very high90.6Very high77 Ų7774.9 Ų74.947%0.47237%0.366SS..  trans-66.1167.816970.20000111.2A213 D214 K215T211-A213 VanDerWaalsContact C-N 3.28Å; T211-A213 PolarHBondContact O-N 3.43Å; T211-D214 WeakPolarHBondContact CB-OD2 3.43Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.5Å; T211-D214 PolarHBondContact N-OD2 2.83Å; T211-D214 PolarHBondContact O-N 2.79Å; T211-D214 PolarHBondContact OG1-N 2.9Å; T211-D214 PolarHBondContact OG1-OD2 2.83Å; T211-K215 WeakPolarHBondContact O-CB 3.41Å; T211-K215 VanDerWaalsContact O-CG 3.26Å; T211-K215 WeakPolarHBondContact O-CG 3.33Å; T211-K215 PolarHBondContact O-N 3.09Å
212V92Very high90.8Very high64 Ų6470.9 Ų70.939%0.38835%0.35SS..Hα-helixtrans-58.3-42.2174.5178.90000111.1P187 K215 I216P187-V212 HydrophobicContact CG-CG1 4.08Å; V212-K215 PolarHBondContact O-N 2.88Å; V212-I216 HydrophobicContact CG1-CD1 3.99Å; V212-I216 WeakPolarHBondContact O-CG1 3.25Å; V212-I216 PolarHBondContact O-N 3.39Å
213A93.2Very high91Very high8 Ų870.8 Ų70.87%0.06635%0.349CS..Hα-helixtrans-64.8-42.9176.500000112.8E179 T211 I216 R217E179-A213 HydrophobicContact CG-CB 3.7Å; T211-A213 VanDerWaalsContact C-N 3.28Å; T211-A213 PolarHBondContact O-N 3.43Å; A213-I216 PolarHBondContact O-N 2.86Å; A213-R217 WeakPolarHBondContact O-CB 3.23Å; A213-R217 PolarHBondContact O-N 2.99Å
214D93.5Very high91.2Very high47 Ų4766.4 Ų66.425%0.25133%0.334SS..Hα-helixtrans-64.6-40.4176-62.2-47.3000111.6C210 T211 R217 I218C210-D214 HydrophobicContact CB-CB 3.88Å; T211-D214 WeakPolarHBondContact CB-OD2 3.43Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.5Å; T211-D214 PolarHBondContact N-OD2 2.83Å; T211-D214 PolarHBondContact O-N 2.79Å; T211-D214 PolarHBondContact OG1-N 2.9Å; T211-D214 PolarHBondContact OG1-OD2 2.83Å; D214-R217 CarbonylContact O-C 3Å; D214-R217 PolarHBondContact O-N 2.77Å; D214-R217 IonicContact OD1-CZ 2.75Å; D214-R217 IonicContact OD1-NH1 3.56Å; D214-R217 PolarHBondContact OD1-NH1 3.08Å; D214-R217 IonicContact OD1-NH2 3.93Å; D214-I218 WeakPolarHBondContact O-CB 3.27Å; D214-I218 WeakPolarHBondContact O-CD1 3.39Å; D214-I218 WeakPolarHBondContact O-CG1 3.5Å; D214-I218 PolarHBondContact O-N 3.04Å
215K95.1Very high91.4Very high22 Ų2261.9 Ų61.910%0.09632%0.315CS..Hα-helixtrans-59.9-47.7175.8-76.1173.6179.3172.90111.8P187 N188 W207 C210 T211 V212 I218 L219P187-K215 HydrophobicContact CB-CB 3.84Å; P187-K215 HydrophobicContact CG-CB 3.75Å; P187-K215 HydrophobicContact CG-CD 4.05Å; N188-K215 WeakPolarHBondContact OD1-CE 3.32Å; N188-K215 PolarHBondContact OD1-NZ 3.06Å; W207-K215 HydrophobicContact CD2-CD 4.35Å; W207-K215 HydrophobicContact CD2-CG 3.92Å; W207-K215 HydrophobicContact CE3-CB 4.36Å; W207-K215 HydrophobicContact CE3-CG 3.95Å; W207-K215 HydrophobicContact CH2-CB 3.47Å; W207-K215 VanDerWaalsContact CH2-CB 3.47Å; W207-K215 HydrophobicContact CH2-CD 4.37Å; W207-K215 HydrophobicContact CH2-CG 3.77Å; W207-K215 HydrophobicContact CZ2-CB 3.75Å; W207-K215 HydrophobicContact CZ2-CD 3.79Å; W207-K215 HydrophobicContact CZ2-CG 3.67Å; W207-K215 HydrophobicContact CZ3-CB 3.79Å; W207-K215 HydrophobicContact CZ3-CG 3.9Å; W207-K215 WeakPolarHBondContact CZ3-O 3.35Å; W207-K215 WeakPolarHBondContact O-CE 3.41Å; C210-K215 HydrophobicContact CB-CG 3.76Å; C210-K215 VanDerWaalsContact O-CE 3.25Å; C210-K215 WeakPolarHBondContact O-CE 3.45Å; T211-K215 WeakPolarHBondContact O-CB 3.41Å; T211-K215 VanDerWaalsContact O-CG 3.26Å; T211-K215 WeakPolarHBondContact O-CG 3.33Å; T211-K215 PolarHBondContact O-N 3.09Å; V212-K215 PolarHBondContact O-N 2.88Å; K215-I218 WeakPolarHBondContact O-CB 3.34Å; K215-I218 PolarHBondContact O-N 2.85Å; K215-L219 WeakPolarHBondContact O-CG 3.35Å; K215-L219 PolarHBondContact O-N 2.91Å
216I93.4Very high91.5Very high0 Ų055.5 Ų55.50%029%0.294CS..Hα-helixtrans-62.7-43.9176.3-69.1165.8000110.6L160 Y178 L181 L185 P187 V212 A213 I218 L219 L220L160-I216 HydrophobicContact CD2-CG2 4.12Å; Y178-I216 HydrophobicContact CD1-CG2 3.94Å; Y178-I216 WeakPolarHBondContact O-CD1 3.38Å; L181-I216 HydrophobicContact CB-CD1 3.95Å; L181-I216 HydrophobicContact CB-CG2 4.39Å; L181-I216 HydrophobicContact CD1-CG2 3.88Å; L185-I216 HydrophobicContact CD1-CD1 4.34Å; P187-I216 HydrophobicContact CB-CG1 3.99Å; P187-I216 HydrophobicContact CG-CG1 4.19Å; V212-I216 HydrophobicContact CG1-CD1 3.99Å; V212-I216 WeakPolarHBondContact O-CG1 3.25Å; V212-I216 PolarHBondContact O-N 3.39Å; A213-I216 PolarHBondContact O-N 2.86Å; I216-I218 VanDerWaalsContact C-N 3.3Å; I216-I218 PolarHBondContact O-N 2.94Å; I216-L219 PolarHBondContact O-N 3.08Å; I216-L220 HydrophobicContact CG2-CD1 3.89Å; I216-L220 WeakPolarHBondContact O-CG 3.31Å; I216-L220 PolarHBondContact O-N 3.43Å
217R92.9Very high91.7Very high88 Ų8852 Ų5233%0.33228%0.281SS..Hα-helixtrans-61.5-35.4174.6-161.7-169.4-56.6122.30.8112.6Y178 A213 D214 K221Y178-R217 HydrophobicContact CD2-CB 4.5Å; Y178-R217 HydrophobicContact CE2-CB 4.48Å; Y178-R217 HydrophobicContact CE2-CG 4.08Å; A213-R217 WeakPolarHBondContact O-CB 3.23Å; A213-R217 PolarHBondContact O-N 2.99Å; D214-R217 CarbonylContact O-C 3Å; D214-R217 PolarHBondContact O-N 2.77Å; D214-R217 IonicContact OD1-CZ 2.75Å; D214-R217 IonicContact OD1-NH1 3.56Å; D214-R217 PolarHBondContact OD1-NH1 3.08Å; D214-R217 IonicContact OD1-NH2 3.93Å; R217-K221 WeakPolarHBondContact O-CB 3.09Å; R217-K221 WeakPolarHBondContact O-CG 3.42Å; R217-K221 PolarHBondContact O-N 3.31Å; R217-K221 VanDerWaalsContact O-N 3.1Å
218I92.7Very high91.6Very high34 Ų3451.5 Ų51.517%0.17428%0.279CS..Hα-helixtrans-67.9-44.2174.6-73.7162.8000110.6I202 W207 C210 D214 K215 I216 K221 S222I202-I218 HydrophobicContact CD1-CG2 3.91Å; I202-I218 HydrophobicContact CG1-CG2 4.07Å; I202-I218 HydrophobicContact CG2-CG2 4.4Å; W207-I218 HydrophobicContact CE3-CG2 4.15Å; W207-I218 HydrophobicContact CZ3-CB 4.13Å; W207-I218 HydrophobicContact CZ3-CG2 3.9Å; C210-I218 HydrophobicContact CB-CD1 4.41Å; D214-I218 WeakPolarHBondContact O-CB 3.27Å; D214-I218 WeakPolarHBondContact O-CD1 3.39Å; D214-I218 WeakPolarHBondContact O-CG1 3.5Å; D214-I218 PolarHBondContact O-N 3.04Å; K215-I218 WeakPolarHBondContact O-CB 3.34Å; K215-I218 PolarHBondContact O-N 2.85Å; I216-I218 VanDerWaalsContact C-N 3.3Å; I216-I218 PolarHBondContact O-N 2.94Å; I218-K221 PolarHBondContact O-N 2.98Å; I218-S222 WeakPolarHBondContact O-CB 3.46Å; I218-S222 PolarHBondContact O-N 2.62Å; I218-S222 PolarHBondContact O-OG 2.85Å
219L93.3Very high91.5Very high3 Ų342.5 Ų42.52%0.01625%0.246CC..Hα-helixtrans-58.8-52.3175.8-67.3174.8000111L160 P187 V190 L191 M194 I202 W207 K215 I216 K221 S222 F223L160-L219 HydrophobicContact CD1-CB 4.48Å; L160-L219 HydrophobicContact CD1-CD1 4.15Å; P187-L219 HydrophobicContact CB-CD1 4.01Å; V190-L219 HydrophobicContact CG1-CD1 4.15Å; L191-L219 HydrophobicContact CB-CD2 4.36Å; L191-L219 HydrophobicContact CD1-CD2 4.03Å; M194-L219 HydrophobicContact SD-CD2 4.01Å; I202-L219 HydrophobicContact CD1-CD2 4.12Å; W207-L219 HydrophobicContact CH2-CD1 4.16Å; W207-L219 HydrophobicContact CH2-CD2 3.97Å; W207-L219 HydrophobicContact CH2-CG 3.85Å; W207-L219 HydrophobicContact CZ3-CD2 4.3Å; W207-L219 HydrophobicContact CZ3-CG 4.25Å; K215-L219 WeakPolarHBondContact O-CG 3.35Å; K215-L219 PolarHBondContact O-N 2.91Å; I216-L219 PolarHBondContact O-N 3.08Å; L219-K221 PolarHBondContact O-N 3.17Å; L219-S222 PolarHBondContact O-N 3.31Å; L219-S222 VanDerWaalsContact O-N 3.12Å; L219-F223 HydrophobicContact CD2-CD2 4.42Å; L219-F223 HydrophobicContact CD2-CE2 3.94Å; L219-F223 WeakPolarHBondContact O-CD2 3.47Å; L219-F223 PolarHBondContact O-N 3.27Å
220L92.2Very high91.4Very high12 Ų1241.5 Ų41.56%0.06323%0.231CC..Hα-helixtrans-61-28.9179.9-68.4166.7000113.3L160 K164 Y178 I216L160-L220 HydrophobicContact CB-CD2 3.96Å; L160-L220 HydrophobicContact CD2-CD1 4.38Å; L160-L220 HydrophobicContact CD2-CD2 3.77Å; L160-L220 HydrophobicContact CD2-CG 3.9Å; L160-L220 HydrophobicContact CG-CD2 4.48Å; L160-L220 WeakPolarHBondContact O-CD2 3.18Å; K164-L220 HydrophobicContact CB-CD2 3.98Å; K164-L220 PolarHBondContact NZ-O 3.02Å; Y178-L220 HydrophobicContact CD1-CD1 3.99Å; Y178-L220 HydrophobicContact CE1-CD1 3.52Å; I216-L220 HydrophobicContact CG2-CD1 3.89Å; I216-L220 WeakPolarHBondContact O-CG 3.31Å; I216-L220 PolarHBondContact O-N 3.43Å
221K90.8Very high91.1Very high164 Ų16440.8 Ų40.871%0.71323%0.226SC*.Hα-helixtrans-85.5-29174.2-74.1-172175-164.40114.3R217 I218 L219R217-K221 WeakPolarHBondContact O-CB 3.09Å; R217-K221 WeakPolarHBondContact O-CG 3.42Å; R217-K221 PolarHBondContact O-N 3.31Å; R217-K221 VanDerWaalsContact O-N 3.1Å; I218-K221 PolarHBondContact O-N 2.98Å; L219-K221 PolarHBondContact O-N 3.17Å
222S90.3Very high90.7Very high62 Ų6237.7 Ų37.743%0.43421%0.207SC..Hα-helixtrans-85.8-24.9-171.4-57.90000114.3I218 L219I218-S222 WeakPolarHBondContact O-CB 3.46Å; I218-S222 PolarHBondContact O-N 2.62Å; I218-S222 PolarHBondContact O-OG 2.85Å; L219-S222 PolarHBondContact O-N 3.31Å; L219-S222 VanDerWaalsContact O-N 3.12Å
223F91.2Very high89.6Confident15 Ų1536 Ų367%0.06620%0.203CC..SBendtrans-124132.9-177.3-54.1-75.9000109.7K164 M194 I198 T200 I202 L219 T227 L228K164-F223 PolarHBondContact NZ-O 2.82Å; M194-F223 HydrophobicContact CE-CD1 4.34Å; M194-F223 HydrophobicContact CE-CD2 3.41Å; M194-F223 VanDerWaalsContact CE-CD2 3.41Å; M194-F223 HydrophobicContact CE-CE1 4.43Å; M194-F223 HydrophobicContact CE-CE2 3.51Å; M194-F223 HydrophobicContact CE-CG 3.85Å; M194-F223 HydrophobicContact CE-CZ 4.04Å; M194-F223 HydrophobicContact SD-CE2 4.46Å; I198-F223 HydrophobicContact CD1-CD1 3.71Å; I198-F223 HydrophobicContact CD1-CE1 3.54Å; I198-F223 HydrophobicContact CD1-CZ 4.37Å; I198-F223 HydrophobicContact CG1-CE1 4.44Å; T200-F223 HydrophobicContact CG2-CE1 4.24Å; T200-F223 HydrophobicContact CG2-CZ 3.73Å; I202-F223 HydrophobicContact CD1-CE2 3.73Å; I202-F223 HydrophobicContact CD1-CZ 4.02Å; L219-F223 HydrophobicContact CD2-CD2 4.42Å; L219-F223 HydrophobicContact CD2-CE2 3.94Å; L219-F223 WeakPolarHBondContact O-CD2 3.47Å; L219-F223 PolarHBondContact O-N 3.27Å; F223-T227 HydrophobicContact CB-CG2 4.37Å; F223-T227 HydrophobicContact CD1-CG2 3.92Å; F223-L228 HydrophobicContact CB-CD2 4.08Å; F223-L228 HydrophobicContact CB-CG 4.11Å
224D89.8Confident87.8Confident80 Ų8039.7 Ų39.743%0.42822%0.218SC..  trans-80.2175.3175.372.8-5.6000112S226 T227 L228D224-S226 VanDerWaalsContact C-N 3.26Å; D224-S226 PolarHBondContact O-N 3.12Å; D224-S226 PolarHBondContact OD1-N 3.45Å; D224-T227 PolarHBondContact O-N 3.13Å; D224-T227 WeakPolarHBondContact OD1-CB 3.47Å; D224-T227 PolarHBondContact OD1-N 3.29Å; D224-T227 PolarHBondContact OD1-OG1 2.88Å; D224-L228 WeakPolarHBondContact O-CG 3.26Å; D224-L228 PolarHBondContact O-N 3.49Å; D224-L228 VanDerWaalsContact O-N 3.09Å
225L89.5Confident85.3Confident20 Ų2042.1 Ų42.111%0.10524%0.239CC..Hα-helixtrans-67.8-29.9-175.5-165.763.5000111.9L123 M161 W165 A229 I567L123-L225 HydrophobicContact CD1-CD1 4.42Å; L123-L225 HydrophobicContact CD2-CD2 4.24Å; M161-L225 HydrophobicContact CB-CD1 3.7Å; M161-L225 HydrophobicContact CG-CD1 3.96Å; W165-L225 HydrophobicContact CB-CD2 4.29Å; L225-A229 WeakPolarHBondContact O-CB 3.23Å; L225-A229 PolarHBondContact O-N 3.36Å; L225-I567 HydrophobicContact CB-CD1 4.1Å; L225-I567 HydrophobicContact CD2-CD1 3.77Å; L225-I567 HydrophobicContact CG-CD1 3.68Å
226S88.5Confident82.4Confident56 Ų5645.1 Ų45.139%0.39226%0.259SS..Hα-helixtrans-69.2-45.5174.6-171.10000112D224 L228 A229 A230D224-S226 VanDerWaalsContact C-N 3.26Å; D224-S226 PolarHBondContact O-N 3.12Å; D224-S226 PolarHBondContact OD1-N 3.45Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 3.24Å; S226-A229 WeakPolarHBondContact O-CB 3.38Å; S226-A229 PolarHBondContact O-N 2.89Å; S226-A229 VanDerWaalsContact O-N 3.15Å; S226-A230 WeakPolarHBondContact O-CB 3.48Å; S226-A230 PolarHBondContact O-N 3.3Å
227T89.8Confident79.5Confident49 Ų4950.7 Ų50.730%0.30129%0.294SS..Hα-helixtrans-63.3-37.5176.4-53.30000111.8I198 F223 D224 L231I198-T227 HydrophobicContact CD1-CG2 3.59Å; F223-T227 HydrophobicContact CB-CG2 4.37Å; F223-T227 HydrophobicContact CD1-CG2 3.92Å; D224-T227 PolarHBondContact O-N 3.13Å; D224-T227 WeakPolarHBondContact OD1-CB 3.47Å; D224-T227 PolarHBondContact OD1-N 3.29Å; D224-T227 PolarHBondContact OD1-OG1 2.88Å; T227-L231 PolarHBondContact O-N 2.96Å; T227-L231 VanDerWaalsContact O-N 3.12Å
228L91.4Very high76.4Confident1 Ų152.3 Ų52.31%0.00532%0.319CS..Hα-helixtrans-70.2-35.6174.3-66.2172.1000112.2I157 L160 M161 M194 F223 D224 S226 L231I157-L228 HydrophobicContact CD1-CD2 4.09Å; I157-L228 HydrophobicContact CG2-CB 4.31Å; I157-L228 VanDerWaalsContact CG2-O 3.31Å; I157-L228 WeakPolarHBondContact CG2-O 3.47Å; L160-L228 HydrophobicContact CB-CD1 4.44Å; M161-L228 HydrophobicContact CG-CB 3.42Å; M161-L228 VanDerWaalsContact CG-CB 3.42Å; M161-L228 HydrophobicContact CG-CD1 4.01Å; M161-L228 HydrophobicContact CG-CG 4.32Å; M161-L228 HydrophobicContact SD-CB 3.93Å; M194-L228 HydrophobicContact CE-CD2 3.84Å; F223-L228 HydrophobicContact CB-CD2 4.08Å; F223-L228 HydrophobicContact CB-CG 4.11Å; D224-L228 WeakPolarHBondContact O-CG 3.26Å; D224-L228 PolarHBondContact O-N 3.49Å; D224-L228 VanDerWaalsContact O-N 3.09Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 3.24Å; L228-L231 HydrophobicContact CD2-CD1 4.3Å; L228-L231 WeakPolarHBondContact O-CB 3.2Å; L228-L231 PolarHBondContact O-N 3Å
229A87.2Confident73.4Confident3 Ų357.9 Ų57.93%0.02535%0.349CS..Hα-helixtrans-64.1-47.7171.400000112.1M161 L225 S226 L231 L232 G233 I567 M569M161-A229 HydrophobicContact CE-CB 3.77Å; L225-A229 WeakPolarHBondContact O-CB 3.23Å; L225-A229 PolarHBondContact O-N 3.36Å; S226-A229 WeakPolarHBondContact O-CB 3.38Å; S226-A229 PolarHBondContact O-N 2.89Å; S226-A229 VanDerWaalsContact O-N 3.15Å; A229-L231 PolarHBondContact O-N 3.24Å; A229-L232 WeakPolarHBondContact O-CB 3.42Å; A229-L232 PolarHBondContact O-N 2.76Å; A229-G233 PolarHBondContact O-N 2.7Å; A229-I567 HydrophobicContact CB-CG2 3.92Å; A229-M569 HydrophobicContact CB-CE 3.54Å; A229-M569 HydrophobicContact CB-CG 4.29Å
230A86.3Confident70.2Confident51 Ų5162 Ų6242%0.42139%0.392SS..Hα-helixtrans-62.3-25.9177.500000113.1S226 L232 G233S226-A230 WeakPolarHBondContact O-CB 3.48Å; S226-A230 PolarHBondContact O-N 3.3Å; A230-L232 VanDerWaalsContact C-N 3.32Å; A230-G233 WeakPolarHBondContact O-CA 3.43Å; A230-G233 PolarHBondContact O-N 2.93Å; A230-G233 VanDerWaalsContact O-N 3.14Å
231L87.5Confident67.1Low0 Ų064.4 Ų64.40%042%0.419CS..Hα-helixtrans-68.3-28.1171.6-89.5167.8000113.6I157 W193 M194 R197 I198 T227 L228 A229I157-L231 HydrophobicContact CD1-CD1 4.11Å; W193-L231 HydrophobicContact CZ3-CB 4.44Å; W193-L231 HydrophobicContact CZ3-CD2 4.04Å; M194-L231 HydrophobicContact CB-CD1 4.4Å; M194-L231 HydrophobicContact CE-CD1 3.45Å; M194-L231 VanDerWaalsContact CE-CD1 3.45Å; M194-L231 HydrophobicContact CG-CD1 3.83Å; M194-L231 HydrophobicContact CG-CD2 4.48Å; M194-L231 HydrophobicContact SD-CD1 4.43Å; R197-L231 HydrophobicContact CB-CD2 3.5Å; R197-L231 VanDerWaalsContact CB-CD2 3.5Å; R197-L231 HydrophobicContact CG-CD2 4.32Å; R197-L231 PolarHBondContact NH1-O 2.94Å; I198-L231 HydrophobicContact CD1-CD1 3.69Å; I198-L231 HydrophobicContact CD1-CD2 4.27Å; I198-L231 HydrophobicContact CD1-CG 4.04Å; I198-L231 HydrophobicContact CG1-CD1 4.37Å; I198-L231 HydrophobicContact CG1-CD2 4.13Å; I198-L231 HydrophobicContact CG1-CG 4.44Å; I198-L231 HydrophobicContact CG2-CD2 3.99Å; I198-L231 HydrophobicContact CG2-CG 4.24Å; T227-L231 PolarHBondContact O-N 2.96Å; T227-L231 VanDerWaalsContact O-N 3.12Å; L228-L231 HydrophobicContact CD2-CD1 4.3Å; L228-L231 WeakPolarHBondContact O-CB 3.2Å; L228-L231 PolarHBondContact O-N 3Å; A229-L231 PolarHBondContact O-N 3.24Å
232L84.2Confident64Low12 Ų1263.5 Ų63.56%0.06342%0.418CS..Hα-helixtrans-71.3-39.7167.3-56.1179.7000109.9E154 I157 R158 M161 A229 A230 Q234 W571E154-L232 HydrophobicContact CB-CD2 4.12Å; I157-L232 HydrophobicContact CB-CD2 4.01Å; I157-L232 HydrophobicContact CG2-CD2 3.73Å; I157-L232 HydrophobicContact CG2-CG 4.05Å; R158-L232 HydrophobicContact CG-CD1 3.98Å; M161-L232 HydrophobicContact CE-CD1 4.3Å; M161-L232 HydrophobicContact SD-CD1 3.91Å; M161-L232 HydrophobicContact SD-CG 4.4Å; A229-L232 WeakPolarHBondContact O-CB 3.42Å; A229-L232 PolarHBondContact O-N 2.76Å; A230-L232 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.08Å; L232-W571 HydrophobicContact CB-CZ2 4.44Å; L232-W571 WeakPolarHBondContact O-CH2 3.27Å
233G68.5Low61Low30 Ų3069.5 Ų69.531%0.30944%0.439SS..SBendtrans-51.6-3.7-179.900000118.9A229 A230 W571A229-G233 PolarHBondContact O-N 2.7Å; A230-G233 WeakPolarHBondContact O-CA 3.43Å; A230-G233 PolarHBondContact O-N 2.93Å; A230-G233 VanDerWaalsContact O-N 3.14Å; G233-W571 VanDerWaalsContact CA-CZ2 3.4Å
234Q56.4Low58Low84 Ų8474.9 Ų74.939%0.39348%0.477SS..  trans-122.2107.4-174.1-64.9177.90.300109.9R197 L232 T236R197-Q234 VanDerWaalsContact CB-OE1 3.31Å; R197-Q234 PolarHBondContact NH1-O 3.17Å; R197-Q234 PolarHBondContact NH2-O 3.1Å; R197-Q234 PolarHBondContact O-OE1 3.44Å; L232-Q234 PolarHBondContact O-N 3.08Å; Q234-T236 PolarHBondContact O-N 3.01Å
235S39.6Very low55Low99 Ų9979.1 Ų79.169%0.69249%0.491SS*.  trans-66.2118.3169.7480000109.2T237S235-T237 PolarHBondContact O-N 2.79Å
236T35.3Very low52.2Low84 Ų8487 Ų8752%0.51553%0.525SS..  trans-7581.6167.135.30000109.3R197 Q234 S238R197-T236 VanDerWaalsContact NH2-CG2 3.35Å; R197-T236 PolarHBondContact NH2-OG1 3.37Å; Q234-T236 PolarHBondContact O-N 3.01Å; T236-S238 PolarHBondContact O-N 3.09Å
237T31.4Very low49.4Very low117 Ų11792.5 Ų92.572%0.71854%0.544SS*.  trans-60.988.9158.237.30000108.3S235 D239S235-T237 PolarHBondContact O-N 2.79Å; T237-D239 PolarHBondContact O-N 3.29Å
238S28.8Very low46.5Very low123 Ų12396.3 Ų96.386%0.8656%0.563SS**  trans-74.946.2175.6-1780000111.7T236T236-S238 PolarHBondContact O-N 3.09Å
239D30Very low43.5Very low151 Ų151103.4 Ų103.481%0.80760%0.599SS**SBendtrans-119137.6170.5-108-43.1000108.8T237 G241T237-D239 PolarHBondContact O-N 3.29Å; D239-G241 PolarHBondContact O-N 3.48Å
240G25.9Very low40.8Very low90 Ų90113 Ų11393%0.92864%0.636SS**  trans-74.487.6-162.800000115
241G26.4Very low38.1Very low61 Ų61118.4 Ų118.463%0.62965%0.653SS**  trans-125.870.3-177.700000115.7D239 Q243D239-G241 PolarHBondContact O-N 3.48Å; G241-Q243 PolarHBondContact O-N 3.25Å
242E25.5Very low35.4Very low145 Ų145127.6 Ų127.668%0.67870%0.695SS**  trans30.267.5159.7-59.7-151.899.100120.3K245E242-K245 WeakPolarHBondContact OE1-CE 3.47Å; E242-K245 IonicContact OE1-NZ 2.61Å; E242-K245 PolarHBondContact OE1-NZ 3.04Å
243Q28.2Very low32.8Very low189 Ų189138.7 Ų138.788%0.88374%0.736SS**  trans-141.946167.7-132.1169.19900117.6G241G241-Q243 PolarHBondContact O-N 3.25Å
244C28.5Very low30.8Very low127 Ų127140.2 Ų140.286%0.85875%0.752SS**  trans-158.941.1155.5-122.60000114.6K246C244-K246 VanDerWaalsContact C-N 3.28Å; C244-K246 PolarHBondContact O-N 3.3Å
245K25.5Very low29.7Very low170 Ų170143.1 Ų143.174%0.73978%0.775SS**  trans-76.464.9178.5-79.9-174.9172.3177.20113.4E242E242-K245 WeakPolarHBondContact OE1-CE 3.47Å; E242-K245 IonicContact OE1-NZ 2.61Å; E242-K245 PolarHBondContact OE1-NZ 3.04Å
246K31.2Very low29.3Very low184 Ų184148.5 Ų148.580%0.879%0.786SS**SBendtrans-167.7120.9160-110.3157.7-172.8173.60112.7C244C244-K246 VanDerWaalsContact C-N 3.28Å; C244-K246 PolarHBondContact O-N 3.3Å
247Q30.7Very low29.2Very low173 Ų173152.7 Ų152.781%0.80880%0.8SS**  trans67.2133.5167.5-53171.6700115
248N28.6Very low29.1Very low129 Ų129155.4 Ų155.469%0.6981%0.805SS**  cis-136.2142.410.5-105.1-36.8000112.4Y250N248-Y250 HydrophobicContact CB-CD2 4.36Å; N248-Y250 PolarHBondContact O-N 3.15Å
249I27.9Very low29.4Very low149 Ų149157.8 Ų157.876%0.76481%0.806SS**  trans-77.3101.2169.9-60.5172.3000108.4
250Y31Very low29.5Very low205 Ų205162.1 Ų162.180%0.80481%0.811SS**  trans-92.798166.7-98.8-76.6000110.8N248 H252N248-Y250 HydrophobicContact CB-CD2 4.36Å; N248-Y250 PolarHBondContact O-N 3.15Å; Y250-H252 PolarHBondContact O-N 2.91Å
251H28.3Very low29.8Very low165 Ų165164.9 Ų164.976%0.76480%0.799SS**  trans-61.3105.3170.1-83-69.7000111.4R253H251-R253 PolarHBondContact O-N 3.22Å
252H32Very low30.1Very low192 Ų192169.8 Ų169.889%0.88980%0.804SS**  trans-79.470.9163.9-116.2-64.2000111.1Y250 G254Y250-H252 PolarHBondContact O-N 2.91Å; H252-G254 PolarHBondContact O-N 2.93Å
253R28.8Very low30.3Very low245 Ų245172.8 Ų172.893%0.92581%0.814SS**  trans-85.684.7173.5-170.6-169.2-146.2-14710.4109.3H251H251-R253 PolarHBondContact O-N 3.22Å
254G27.4Very low30.5Very low63 Ų63173 Ų17365%0.64982%0.818SS**  trans-152.42.1-162.200000121.3H252H252-G254 PolarHBondContact O-N 2.93Å
255T33.2Very low30.5Very low144 Ų144170.3 Ų170.388%0.88381%0.812SS**  trans-136.787.9176.430.30000111.9
256K30.5Very low30.8Very low212 Ų212174.1 Ų174.192%0.92282%0.821SS**  trans-9788.1163.9-89.3-169.8171.3-174.10108.9
257E33.8Very low30.6Very low173 Ų173173.5 Ų173.581%0.80882%0.818SS**  trans-151.4129165.2-141.4140.5-130.300113.7
258H28.7Very low30.7Very low174 Ų174173.8 Ų173.881%0.80683%0.825SS**  trans33.681.9155-67.888.3000120.6
259I35.3Very low30.6Very low172 Ų172176.3 Ų176.388%0.88283%0.826SS**  -133.4110.3122.7-55.7-176.8000109.3
260R31.3Very low30.6Very low242 Ų242174.3 Ų174.391%0.91383%0.825SS**  trans-107.9117.3156.6-85.8-178.9168.8-177.4-2.4106.5
261E32.8Very low30.5Very low148 Ų148169.7 Ų169.769%0.69282%0.823SS**  trans-162.7148.8138.1-113.8-166.916800115.4
262K33.2Very low30.6Very low165 Ų165166.3 Ų166.372%0.71782%0.824SS**  trans43.4104.4153.8-70159-173.6150.90119.9M264K262-M264 PolarHBondContact O-N 3.02Å
263K30.1Very low30.5Very low207 Ų207164.9 Ų164.990%0.982%0.822SS**  trans-56.3125.5150.7-64.6174.1176.4178.10110.8
264M32.8Very low30.4Very low194 Ų194161 Ų16196%0.95681%0.814SS**  trans-164.5146.6132.3-85-139.4-97.600107.9K262K262-M264 PolarHBondContact O-N 3.02Å
265G28.1Very low30.6Very low71 Ų71163.4 Ų163.473%0.73281%0.811SS**  cis142.930.62.800000114.8
266R31.6Very low30.5Very low249 Ų249158.4 Ų158.494%0.9479%0.788SS**  trans-139.4133.7175-79.3-172.3174.5-160-3.7112.4
267K27.4Very low30.4Very low171 Ų171150.3 Ų150.374%0.74377%0.765SS**  trans-82.8147.5158.7-66.1-179176.8-177.50108.8Y269K267-Y269 HydrophobicContact CD-CE2 4.23Å
268L31.3Very low30.2Very low180 Ų180147.8 Ų147.894%0.94276%0.756SS**  trans-133.5156.7147.2-91.2171.5000108.4
269Y26.3Very low30.2Very low182 Ų182143.6 Ų143.671%0.71475%0.752SS**  trans-121.6160.4-166.5-103.5-97.7000111K267K267-Y269 HydrophobicContact CD-CE2 4.23Å
270S28.4Very low29.8Very low107 Ų107146.7 Ų146.775%0.74875%0.753SS**  trans71.5153.7152.4-71.50000117.4
271S29.9Very low29.7Very low108 Ų108142.7 Ų142.776%0.75575%0.748SS**  cis-164.7160.80290000113.4
272A30Very low29.5Very low94 Ų94142.5 Ų142.578%0.77775%0.752SS**  trans73.8150.6158.200000117.9
273L29.2Very low29.4Very low162 Ų162142.2 Ų142.285%0.84876%0.756SS**  cis-151.2165.37.8-129.5153.9000111.8
274Q27.1Very low29.5Very low163 Ų163138.3 Ų138.376%0.76275%0.749SS**  trans-120.2-129.1-167.2-62.9176.2-56.300117.4
275I32.3Very low29.4Very low114 Ų114137.6 Ų137.659%0.58574%0.741SS**  trans78.3149.9-160.5-55.4176.9000112.8D587 K588I275-D587 HydrophobicContact CG2-CB 3.96Å; I275-K588 WeakPolarHBondContact O-CD 3.21Å; I275-K588 WeakPolarHBondContact O-CE 3.18Å; I275-K588 WeakPolarHBondContact O-CG 3.31Å; I275-K588 PolarHBondContact O-NZ 3.45Å
276G30.3Very low29.5Very low39 Ų39141.2 Ų141.240%0.40274%0.739SS.*  cis129.798.6-1.300000118.5D587 K588G276-D587 WeakPolarHBondContact O-CB 3.37Å; G276-K588 CarbonylContact C-O 3.31Å; G276-K588 VanDerWaalsContact C-O 3.31Å; G276-K588 WeakPolarHBondContact CA-O 3.47Å; G276-K588 PolarHBondContact N-O 3.34Å
277G29.4Very low29.4Very low42 Ų42136.5 Ų136.543%0.43373%0.732SS.*  trans75.3131.9174.800000117.5D587 K588G277-D587 CarbonylContact O-C 3.28Å; G277-D587 WeakPolarHBondContact O-CA 3.42Å; G277-K588 VanDerWaalsContact N-N 3.14Å; G277-K588 PolarHBondContact N-O 3.37Å; G277-K588 PolarHBondContact O-N 2.72Å
278D28Very low29.5Very low119 Ų119136 Ų13664%0.63674%0.737SS**  cis110.8157.8-8.3-119.4-53.6000121.3T589D278-T589 PolarHBondContact OD2-N 3.36Å
279A30Very low29.6Very low87 Ų87136.1 Ų136.172%0.71973%0.73SS**  trans78.8140.3-177.300000119.7
280R26.6Very low30Very low236 Ų236136.9 Ų136.989%0.89174%0.74SS**  cis83.5113.514.2-67.2-164.7179.3-151.32.4120
281I29.7Very low30.2Very low159 Ų159135.2 Ų135.282%0.81574%0.74SS**  trans-152.3118154.1-61.8-174.8000104
282D28.5Very low30.3Very low144 Ų144136.7 Ų136.777%0.7774%0.739SS**  91135.952.8-83.5-30000115
283I30.4Very low30.5Very low159 Ų159140 Ų14082%0.81574%0.738SS**  trans159.391.4158.5-86.3156.5000106.1
284V32.8Very low30.8Very low124 Ų124137.1 Ų137.175%0.75273%0.732SS**  77.7112.392.4166.50000111.5
285K30Very low31.2Very low180 Ų180134 Ų13478%0.78373%0.728SS**  cis91.5154.645.1-160.1-171-169.5-1680111.9
286E30.6Very low31Very low146 Ų146135.2 Ų135.268%0.68274%0.735SS**  trans75.5137.4-168.3-53.4-54.7121.600113
287L29.5Very low31.2Very low151 Ų151143.1 Ų143.179%0.79175%0.754SS**  cis-138.1161.13.7-96.3128.8000111.6
288N29.8Very low31.4Very low160 Ų160145.7 Ų145.786%0.85677%0.766SS**  trans-157.2120.8170-156.6-3.6000110.2
289K33Very low31.7Very low182 Ų182146.3 Ų146.379%0.79177%0.768SS**  trans-172.6151.2178.1-112.6163.4-172.9175.70112.8
290E34.2Very low31.8Very low199 Ų199149.7 Ų149.793%0.9377%0.769SS**  trans64.5128.9177.1-56170.5-169.300113.7
291G32.3Very low32.2Very low72 Ų72146.4 Ų146.474%0.74276%0.764SS**  cis-175.6177-7.900000108.5
292N33.6Very low32.5Very low138 Ų138143.5 Ų143.574%0.73876%0.755SS**  cis-162.8170.9-6.8-136.6-16.5000112.4
293Q34Very low32.7Very low164 Ų164146.5 Ų146.577%0.76676%0.761SS**  trans-2.7157.8145.1-67.5172.241.600120.4
294S35Very low32.7Very low102 Ų102146.4 Ų146.471%0.71376%0.762SS**  cis178.5168.32.243.40000110.9
295S35.4Very low33.1Very low98 Ų98145.5 Ų145.569%0.68576%0.759SS**  cis-177.8166-31.364.30000112
296L29.1Very low33.3Very low139 Ų139142.7 Ų142.773%0.72876%0.762SS**  trans78.4162148-78.7167.4000124.8
297Y34.1Very low33.4Very low205 Ų205141.3 Ų141.380%0.80477%0.769SS**  trans79.8145.6169.9-63.3-80.6000118.5
298S33.5Very low33.8Very low96 Ų96140.3 Ų140.367%0.67177%0.771SS**  cis165.1164.6-22.3-99.30000108
299L33.4Very low34Very low132 Ų132139.4 Ų139.469%0.69177%0.767SS**  cis-173.4162.9-10.717463.9000108.2
300E33.3Very low34.2Very low157 Ų157136.1 Ų136.173%0.73476%0.764SS**  trans63.6155.7161-86.1151.2-147.900120.3
301E33.8Very low34Very low168 Ų168135.2 Ų135.279%0.78576%0.76SS**  cis-161.2169.7-35.1-118.1-141.4151.700110.8
302P35.7Very low34.3Very low97 Ų97141.2 Ų141.263%0.6377%0.768SS**  trans-107.6178.1-166.241.8-37.6000116.4
303K33.4Very low34.2Very low207 Ų207141.3 Ų141.390%0.977%0.769SS**  trans-153.4148.5148.2-109.2131.7-169.6160.60114.6
304N31.1Very low34.4Very low157 Ų157144 Ų14484%0.8477%0.772SS**  trans-109.8-169.8-177.9-102.7-36.4000109.3
305P40Very low34.2Very low106 Ų106145.7 Ų145.769%0.68877%0.773SS**  -133-173.3-50.939.8-24.6000111.6
306S35.4Very low34.3Very low121 Ų121147.6 Ų147.685%0.84677%0.774SS**  trans176.4163.5136.2-830000114.5
307S32.4Very low34.5Very low116 Ų116147 Ų14781%0.81178%0.776SS**  trans-111.7-166.6-177.2-44.70000110.6
308P38.5Very low34.7Very low130 Ų130142.6 Ų142.684%0.84477%0.773SS**  cis-136.8-160.90.743.1-22.1000115.7
309N32.7Very low34.8Very low142 Ų142146.4 Ų146.476%0.75978%0.78SS**  trans-110.2161.1-173.8-174.752.7000113
310P37.2Very low34.8Very low113 Ų113143.7 Ų143.773%0.73478%0.777SS**  trans-139.5172144.337.8-22.9000116.3
311Q31.3Very low34.8Very low180 Ų180145.4 Ų145.484%0.84178%0.782SS**  trans-86.7160.8-171-59.3147.6-109.100115.7
312Q37.2Very low34.9Very low197 Ų197143 Ų14392%0.92178%0.781SS**  trans179.7169132-99.5168.126.700110.8
313D32.6Very low34.7Very low140 Ų140149.7 Ų149.775%0.74979%0.793SS**  -162.4171.6-62.3-1613.2000109.8
314R36.5Very low34.7Very low221 Ų221147.9 Ų147.983%0.83479%0.792SS**  trans74.3158.5165.6-62177.6-179.2-179.2-0.8120.7
315D31.9Very low34.8Very low137 Ų137145.3 Ų145.373%0.73379%0.793SS**  cis-170.3169-40.2-141-25.6000113.5
316I38.1Very low34.3Very low138 Ų138146.3 Ų146.371%0.70879%0.793SS**  trans73.491.9154.6-56.6153.7000123.3
317T32.6Very low34.3Very low126 Ų126152.2 Ų152.277%0.77380%0.797SS**  40178.4112.53.60000125.8
318P38.9Very low34.2Very low114 Ų114153.2 Ų153.274%0.7479%0.793SS**  -142.5-174.3-123.849.1-28.4000120.5
319E34.3Very low34.1Very low176 Ų176153 Ų15382%0.82278%0.784SS**  trans-169.2-177.7148.1-115.5-83.5103.800107.8
320A34.7Very low34.2Very low75 Ų75156.4 Ų156.462%0.6279%0.787SS**  cis-151.8171.77.900000114.4
321K31.7Very low33.9Very low193 Ų193160.5 Ų160.584%0.83979%0.793SS**  trans-150.8153.1162.8-81.1-169.3179.31770113.2
322P35.8Very low34Very low118 Ų118164 Ų16477%0.76680%0.798SS**  -149.3145.7123.335.9-19.3000118.2
323R32.8Very low33.6Very low237 Ų237163.7 Ų163.789%0.89479%0.794SS**  trans42126.3137.5-62.3175.4-177.9164.21.4121.2
324L32.9Very low33.4Very low168 Ų168166 Ų16688%0.8880%0.802SS**  86.1117.960.8-104.5170.6000115.8
325A33.8Very low33Very low103 Ų103159.8 Ų159.885%0.85179%0.793SS**  trans-159.1155.5157.900000110.8
326D28.3Very low32.8Very low127 Ų127160.7 Ų160.768%0.67980%0.798SS**  trans-133.4159.1-174.1168.945.6000111.2N328D326-N328 PolarHBondContact OD1-ND2 2.88Å
327R35.5Very low32.4Very low246 Ų246164.3 Ų164.393%0.92880%0.803SS**  trans-166.9121.2157.3-110.8161.5-164.1-165.13.1113.8
328N31.6Very low32.2Very low136 Ų136166.2 Ų166.273%0.72780%0.803SS**  trans-103142.1169.2-79.2-93.7000111.5D326D326-N328 PolarHBondContact OD1-ND2 2.88Å
329D36Very low31.8Very low126 Ų126165.9 Ų165.967%0.67481%0.809SS**  trans175.4154.8152.3-110-28.6000109.8
330R34.2Very low31.5Very low214 Ų214167.2 Ų167.281%0.80881%0.813SS**  cis-154.6160.5-0.2-157.1163.6-94.7-170.5-1.1110.7
331K31Very low31.2Very low198 Ų198170.4 Ų170.486%0.86182%0.824SS**  trans-80.4156179.3-56.4170-177.1171.20113.5
332R33.2Very low31Very low253 Ų253168.9 Ų168.996%0.95582%0.82SS**  trans-155.5144.6137.6-112.7170.6-169.6-175.52112.7
333K28Very low30.8Very low192 Ų192169.4 Ų169.484%0.83582%0.821SS**  trans-110.9155.1167.2-65.3-176.8175.1-1720108.6
334M29.9Very low30.5Very low187 Ų187164.1 Ų164.192%0.92181%0.811SS**  -163176.2120.4-109.7-168.9-61.600110.5
335S28Very low30.3Very low92 Ų92166.4 Ų166.464%0.64381%0.809SS**  trans-128.3174.7-156-47.30000113.7
336D28.2Very low29.9Very low156 Ų156164.5 Ų164.583%0.83480%0.799SS**  trans91.1144.7143.9-59-27.7000122.1
337R29.4Very low29.9Very low214 Ų214167.7 Ų167.781%0.80881%0.808SS**  trans89.193.8154.9-81.9-171.3159.7141.21.4122.6
338E27.7Very low29.6Very low166 Ų166161.1 Ų161.178%0.77680%0.799SS**  41.4111.6107-59.6-178.3109.500118.9
339A30.2Very low29.3Very low106 Ų106161.2 Ų161.288%0.87681%0.805SS**  trans-149.5130.8136.500000110.4
340K27.7Very low29.1Very low205 Ų205161.2 Ų161.289%0.89181%0.814SS**  trans-83.8137.3174-59.3170.2-178173.80110
341V29.6Very low28.8Very low142 Ų142155.9 Ų155.986%0.86181%0.81SS**  trans-136.8135.4143.9-177.50000108.2
342Q27.3Very low28.9Very low160 Ų160156.3 Ų156.375%0.74881%0.812SS**  trans-133.4125.4179.4170.1-171-6.500107.2
343T30.9Very low28.7Very low130 Ų130154.4 Ų154.480%0.79881%0.805SS**  trans-150.7128162.442.40000109.8
344D27Very low28.9Very low126 Ų126152 Ų15267%0.67481%0.806SS**  trans-74.3157.8-175.1-40.2-86.9000112.9
345Y27.8Very low28.9Very low216 Ų216150.5 Ų150.585%0.84780%0.795SS**  trans-147.1118.1137.6-107-76.9000109.2
346G26Very low29.1Very low62 Ų62154.6 Ų154.664%0.63981%0.808SS**  trans-136.5148.9172.900000110
347F28.6Very low29.2Very low195 Ų195154.2 Ų154.286%0.85581%0.806SS**  trans-133.791.7172.4-117.5-85.7000111.9
348S29.6Very low29.3Very low107 Ų107147.7 Ų147.775%0.74881%0.805SS**  trans36.1107.3142.6-54.40000119
349T25.8Very low29.3Very low139 Ų139148.7 Ų148.785%0.85381%0.81SS**  trans-56.7152.4154.5520000111.5
350S30.9Very low29.2Very low125 Ų125149.5 Ų149.587%0.87481%0.808SS**  trans-119.9139.3153.874.40000108.7
351S28.8Very low29.3Very low102 Ų102144.9 Ų144.971%0.71380%0.801SS**  trans-121.2135.1-168-173.40000111.7
352K32.5Very low29.2Very low208 Ų208145.3 Ų145.390%0.90480%0.799SS**  trans-127101.6158.1-81.9-172.4174.3178.20109.7
353R27.9Very low29.5Very low212 Ų212145.3 Ų145.380%0.880%0.802SS**  trans-64.2138.8166.2-77.7169.2139.7170.2-4.3110.3
354T32.3Very low29.6Very low141 Ų141146 Ų14687%0.86580%0.801SS**  trans-126.2130.9143.3-51.10000106.8
355K30.5Very low29.5Very low157 Ų157147.4 Ų147.468%0.68381%0.809SS**  trans-86.2136.5-179.8-65.6-179.4179.5-179.70110.5
356L33.4Very low29.6Very low177 Ų177143.3 Ų143.393%0.92781%0.806SS**  trans-133.8135.1139.8-76.2178.3000107.7
357N30.4Very low29.7Very low149 Ų149147.3 Ų147.380%0.79781%0.813SS**  trans-97143.4177.4-669.9000109.1
358G30.4Very low29.8Very low76 Ų76145.1 Ų145.178%0.78482%0.815SS**  trans-164.9124.7169.200000107.8
359E27.7Very low29.7Very low188 Ų188147.3 Ų147.388%0.87982%0.818SS**  trans-100.8176-165.2-65.6174120.200113.3
360C27.3Very low29.8Very low123 Ų123148.8 Ų148.883%0.83182%0.815SS**  trans78.1137.8174.6-56.90000117
361S31Very low29.7Very low107 Ų107148.5 Ų148.575%0.74881%0.808SS**  cis-168.3155.7-18.444.10000109
362D27.7Very low29.6Very low152 Ų152147.9 Ų147.981%0.81381%0.809SS**  trans-61.6154.9-178.6-49.7-93.7000114.5
363I33.8Very low29.5Very low159 Ų159144.3 Ų144.382%0.81580%0.799SS**  trans-153.2113.3139.9-99.1148.7000109.3
364D31.6Very low29.5Very low144 Ų144141.8 Ų141.877%0.7780%0.802SS**  trans44.3121.8149.6-55-35.3000123.5
365N25.1Very low29.4Very low157 Ų157141.5 Ų141.584%0.8479%0.794SS**  trans-67.2147.2158.9-67.7-71.3000112.1
366T31.1Very low29.3Very low130 Ų130141.1 Ų141.180%0.79880%0.799SS**  trans-153.9107.1145.4-13.10000114.1
367N26.9Very low29.3Very low146 Ų146137.5 Ų137.578%0.78179%0.785SS**  trans14.3111152.2-52.6-14.9000120.1
368V30.6Very low29.1Very low148 Ų148137.2 Ų137.290%0.89778%0.783SS**  trans-136.7143.7132.4-177.60000108.4
369L28.8Very low29.3Very low154 Ų154141.4 Ų141.481%0.80678%0.782SS**  trans-81.5165.3-170-116.669.8000115.1
370E26.6Very low29.5Very low170 Ų170139.7 Ų139.779%0.79478%0.779SS**  trans-59.9147.4167.1-55.7153.8104.600112.8
371V28.6Very low29.8Very low119 Ų119141 Ų14172%0.72178%0.777SS**  trans-142.694.4136.7-176.60000108.4N373V371-N373 VanDerWaalsContact CG1-OD1 3.31Å; V371-N373 WeakPolarHBondContact CG1-OD1 2.98Å
372A26.8Very low29.6Very low89 Ų89143.3 Ų143.374%0.73678%0.775SS**  trans-93.196.4164.900000108.5D374A372-D374 PolarHBondContact O-N 2.87Å
373N30.6Very low29.8Very low132 Ų132143.5 Ų143.571%0.70678%0.776SS**  trans-83.693.3175.1-79.3-18.7000110.2V371 I375V371-N373 VanDerWaalsContact CG1-OD1 3.31Å; V371-N373 WeakPolarHBondContact CG1-OD1 2.98Å; N373-I375 PolarHBondContact O-N 3.44Å
374D27.7Very low29.5Very low160 Ų160142.9 Ų142.986%0.85678%0.775SS**  trans-63.7125.8156.1-73.8-40000108.9A372A372-D374 PolarHBondContact O-N 2.87Å
375I31.3Very low29.4Very low134 Ų134142.9 Ų142.969%0.68778%0.779SS**  trans-117.497.6171-57.4-178000107.3N373 T377N373-I375 PolarHBondContact O-N 3.44Å; I375-T377 WeakPolarHBondContact CG2-OG1 3.3Å; I375-T377 PolarHBondContact O-N 3.41Å
376D28.3Very low29.5Very low149 Ų149140.8 Ų140.880%0.79778%0.777SS**  trans-76.298.5170.2-157.1-3.8000108.3N378D376-N378 PolarHBondContact O-N 2.72Å
377T32.2Very low29.5Very low102 Ų102138.9 Ų138.963%0.62678%0.775SS**  trans-99.867.6176.9-46.70000110.7I375 Q379I375-T377 WeakPolarHBondContact CG2-OG1 3.3Å; I375-T377 PolarHBondContact O-N 3.41Å; T377-Q379 PolarHBondContact O-N 3.48Å; T377-Q379 VanDerWaalsContact O-N 3.16Å
378N27.5Very low29.4Very low143 Ų143139.5 Ų139.577%0.76578%0.778SS**  trans-82.686.4175-155.6-10.8000109.7D376D376-N378 PolarHBondContact O-N 2.72Å
379Q35.1Very low29.5Very low164 Ų164139.3 Ų139.377%0.76678%0.777SS**  trans-139.5110.8-178.5-105.6162.2-2.100112.6T377 I381T377-Q379 PolarHBondContact O-N 3.48Å; T377-Q379 VanDerWaalsContact O-N 3.16Å; Q379-I381 PolarHBondContact O-N 3.48Å
380N30.2Very low29.4Very low152 Ų152137 Ų13781%0.81378%0.775SS**  trans-59121.8169.1-82-11.4000110.9
381I33.8Very low29.6Very low151 Ų151137.1 Ų137.177%0.77478%0.78SS**  trans-130.1115.7144.1-60.1-177.5000106.2Q379Q379-I381 PolarHBondContact O-N 3.48Å
382Q26.9Very low29.6Very low154 Ų154141.1 Ų141.172%0.7279%0.79SS**  trans-80.7138.2163.5-68.3172.1-109.100108
383D32.4Very low29.6Very low156 Ų156140.1 Ų140.183%0.83479%0.789SS**  trans-146.4123.6149.4-95-45.2000107.4
384D26.6Very low29.5Very low147 Ų147143.5 Ų143.579%0.78680%0.797SS**  trans-84.3120.1-172.7-71.2-58.4000111.8
385V30.9Very low29.4Very low143 Ų143141.1 Ų141.187%0.86779%0.79SS**  trans-133.9100.8153.1-176.20000108.5
386S26.1Very low29Very low113 Ų113140.9 Ų140.979%0.7980%0.795SS**  trans-82.2134.1173.347.90000111.4
387A31.5Very low28.9Very low91 Ų91140 Ų14075%0.75279%0.789SS**  trans-140.7102.7162.600000107.6T389A387-T389 PolarHBondContact O-N 3.05Å
388D24.7Very low28.4Very low159 Ų159141.1 Ų141.185%0.8580%0.795SS**  trans-66129.2-179.3-79.2-64.4000111.5
389T32.2Very low28.3Very low143 Ų143142 Ų14288%0.87780%0.797SS**  trans-155.1104148.5-40000108.9A387A387-T389 PolarHBondContact O-N 3.05Å
390S27Very low27.7Very low107 Ų107142.5 Ų142.575%0.74880%0.799SS**  trans-75.3146.2174.460.20000110.7
391L31.8Very low27.5Very low172 Ų172144.3 Ų144.390%0.90180%0.795SS**  trans-163.7108.5138-108.4167.8000110.5
392H27.2Very low27Very low202 Ų202142.4 Ų142.494%0.93580%0.795SS**  trans-80.1121170.5-89.4-81.5000110.2
393G28.2Very low27.1Very low69 Ų69141.6 Ų141.671%0.71179%0.791SS**  trans-176.6102.5170.100000112.6P395G393-P395 WeakPolarHBondContact O-CD 3.4Å
394K27.1Very low26.7Very low202 Ų202142.5 Ų142.588%0.87880%0.796SS**  trans-90113169.5-73.1-172.6177.9-176.10109.5V396K394-V396 PolarHBondContact O-N 3.49Å
395P26.9Very low26.9Very low110 Ų110141.5 Ų141.571%0.71480%0.795SS**  trans-74.6112.5169.229.9-32.1000109.6G393 I397G393-P395 WeakPolarHBondContact O-CD 3.4Å; P395-I397 HydrophobicContact CB-CG1 4.34Å; P395-I397 PolarHBondContact O-N 3Å
396V23.5Very low26.6Very low129 Ų129137.8 Ų137.878%0.78279%0.786SS**  trans-86.2102.8166.2177.90000107.5K394K394-V396 PolarHBondContact O-N 3.49Å
397I25.3Very low26.7Very low132 Ų132138.4 Ų138.468%0.67779%0.79SS**  trans-94.4101.5178.7-56.9178.9000109.1P395 M399P395-I397 HydrophobicContact CB-CG1 4.34Å; P395-I397 PolarHBondContact O-N 3Å; I397-M399 HydrophobicContact CG2-CG 4.39Å; I397-M399 PolarHBondContact O-N 3.42Å
398T21.3Very low26.7Very low124 Ų124140.2 Ų140.276%0.76179%0.794SS**  trans-78.2110167.245.60000110E400T398-E400 PolarHBondContact O-N 3.27Å
399M25.2Very low26.8Very low161 Ų161137.8 Ų137.879%0.79379%0.79SS**  trans-83.9102.8170-73.3-170.1-74.800110.5I397 W401I397-M399 HydrophobicContact CG2-CG 4.39Å; I397-M399 PolarHBondContact O-N 3.42Å; M399-W401 PolarHBondContact O-N 3.3Å
400E23.2Very low26.8Very low176 Ų176140.1 Ų140.182%0.82279%0.788SS**  trans-80113.7177.2-170.7169.1-138.400111.2T398 S402T398-E400 PolarHBondContact O-N 3.27Å; E400-S402 PolarHBondContact O-N 3.47Å; E400-S402 VanDerWaalsContact O-N 3.09Å
401W25.6Very low26.9Very low189 Ų189145.5 Ų145.572%0.71679%0.791SS**  trans-78.291-179.3-93.746.4000111.8M399 Q403M399-W401 PolarHBondContact O-N 3.3Å; W401-Q403 VanDerWaalsContact C-N 3.29Å; W401-Q403 HydrophobicContact CE3-CG 4.28Å; W401-Q403 PolarHBondContact O-N 3.07Å
402S24.1Very low27Very low111 Ų111145.5 Ų145.578%0.77678%0.784SS**  trans-73.871.9173.3-68.60000113.1E400 N404E400-S402 PolarHBondContact O-N 3.47Å; E400-S402 VanDerWaalsContact O-N 3.09Å; S402-N404 PolarHBondContact O-N 3.49Å
403Q28.6Very low27.3Very low137 Ų137141.8 Ų141.864%0.6478%0.776SS**  trans-78.4107168.4-74.4-166.5-12.600111.2W401 V405W401-Q403 VanDerWaalsContact C-N 3.29Å; W401-Q403 HydrophobicContact CE3-CG 4.28Å; W401-Q403 PolarHBondContact O-N 3.07Å; Q403-V405 HydrophobicContact CB-CG2 4.08Å; Q403-V405 PolarHBondContact O-N 2.72Å
404N23.6Very low27.7Very low175 Ų175143.8 Ų143.894%0.93678%0.776SS**  trans-73.591.7169.9-105.8-34.8000110.5S402S402-N404 PolarHBondContact O-N 3.49Å
405V31.8Very low28.1Very low126 Ų126143.3 Ų143.376%0.76477%0.774SS**  trans-115.8121.5173.6-163.30000109.3Q403Q403-V405 HydrophobicContact CB-CG2 4.08Å; Q403-V405 PolarHBondContact O-N 2.72Å
406G24.4Very low28.4Very low66 Ų66146.9 Ų146.968%0.6878%0.779SS**  trans-99.8149.4-164.700000116.4
407S26.9Very low28.9Very low126 Ų126146.5 Ų146.588%0.88177%0.772SS**  trans78.1158.9161.2-54.20000118
408P32.4Very low29.2Very low128 Ų128150.9 Ų150.983%0.83178%0.78SS**  cis-125.5162.60.936.3-19.3000117.1
409S27.2Very low29.5Very low108 Ų108151.3 Ų151.376%0.75578%0.783SS**  trans-60.5153.6-178.8175.10000117.6
410K31.4Very low29.8Very low193 Ų193148.6 Ų148.684%0.83978%0.78SS**  trans-166.1111.9140.2-103.8151.4-172.4172.80114.8
411R30.1Very low30Very low219 Ų219146.2 Ų146.283%0.82678%0.778SS**  trans54.5142.9137.5-70.1175.8174.5-175.4-3.2119.6
412K33.3Very low30Very low172 Ų172143 Ų14375%0.74878%0.778SS**  cis-166.1116.221.6-124.3171.7177.6-173.20112.6
413T34.1Very low30Very low124 Ų124142.9 Ų142.976%0.76178%0.778SS**  41.1161.2122.870.40000123.5
414P36.6Very low29.9Very low111 Ų111142.5 Ų142.572%0.72178%0.784SS**  -145.4-171.1-76.840.6-18000115.2
415K34.3Very low30Very low192 Ų192142.9 Ų142.984%0.83578%0.778SS**  trans179.5122.5147.7-99.6152.4-173.7177.60111
416K34.2Very low29.8Very low186 Ų186144.1 Ų144.181%0.80978%0.78SS**  72.5135.295.6-83.1-169169.5-171.10114.9
417N33.3Very low29.9Very low121 Ų121146.5 Ų146.565%0.64778%0.781SS**  cis-154.3158.921.7-87.3-42.1000114.7
418R31.4Very low29.9Very low223 Ų223148.3 Ų148.384%0.84278%0.779SS**  trans55122.9149.4-69.8174.4167.9161.3-5.9120.1
419T27.8Very low29.6Very low134 Ų134147.8 Ų147.882%0.82277%0.773SS**  76.4120.459.2-52.70000112
420S31.9Very low29.3Very low103 Ų103147.7 Ų147.772%0.7277%0.773SS**  -154.5155.856.953.20000118.5
421T26.5Very low29.3Very low127 Ų127143.7 Ų143.778%0.77977%0.767SS**  trans3.7148.8144.4-0.30000120.1
422V25.9Very low29.1Very low120 Ų120139.7 Ų139.773%0.72777%0.766SS**  cis-156.8144.242.4179.90000114.5
423S25.3Very low28.8Very low110 Ų110136 Ų13677%0.76977%0.768SS**  trans56.7160.7160.875.60000119.7
424V26.5Very low28.5Very low128 Ų128135.9 Ų135.978%0.77677%0.772SS**  cis-129.3162.36.81780000111.2
425K25.1Very low28.2Very low184 Ų184134.5 Ų134.580%0.877%0.771SS**  trans-38157.9165.5-72177.3179.1177.90115.6
426N28.3Very low27.9Very low151 Ų151132.6 Ų132.681%0.80777%0.765SS**  cis-133.1160.823.9-92.8-40.8000113.9
427V25.1Very low27.7Very low117 Ų117130.2 Ų130.271%0.70975%0.754SS**  trans-146.8155.8177.2174.10000108.5V429V427-V429 HydrophobicContact CG1-CB 4.41Å; V427-V429 HydrophobicContact CG1-CG2 3.59Å
428I26.8Very low27.7Very low163 Ų163134.1 Ų134.184%0.83676%0.76SS**  trans155.4113.4151.1-82.8153000106.7
429V26.2Very low27.8Very low117 Ų117133.5 Ų133.571%0.70976%0.758SS**  cis85.7105.118.6-169.40000115.8V427V427-V429 HydrophobicContact CG1-CB 4.41Å; V427-V429 HydrophobicContact CG1-CG2 3.59Å
430S21.5Very low27.9Very low107 Ų107133.1 Ų133.175%0.74876%0.755SS**  trans-84.6169167.3-46.90000111.7
431P31.8Very low27.9Very low109 Ų109132.9 Ų132.971%0.70875%0.753SS**  cis-136177-33.231.5-12.1000114.2
432T26Very low28.1Very low134 Ų134137.3 Ų137.382%0.82276%0.755SS**  trans71.6136.9149.730.50000123.2
433A26.1Very low28.3Very low94 Ų94135.7 Ų135.778%0.77775%0.75SS**  trans90.4101.1138.300000122.1
434S27.9Very low28.7Very low122 Ų122136.5 Ų136.585%0.85375%0.745SS**  113.9144.1118.1-153.40000119.4
435A29.8Very low28.9Very low83 Ų83135.6 Ų135.669%0.68674%0.74SS**  trans54.6114.2173.500000117.8
436E28.7Very low29.3Very low152 Ų152133.3 Ų133.371%0.7174%0.737SS**  75131.551.2-163.6-174.4-153.600112.2
437K30.6Very low29.2Very low135 Ų135132.3 Ų132.359%0.58774%0.736SS**  cis-159.9155.940.1-135.8145-175.4121.40111.9
438R33Very low29.4Very low203 Ų203137.2 Ų137.277%0.76674%0.742SS**  trans73.9146156.7-61.7169.4-178.7161.40117.3
439R33Very low29.5Very low211 Ų211134.1 Ų134.180%0.79673%0.734SS**  cis-161146.6-4.9-123.6174.8177.9176.6-2.6111.6
440V30.3Very low29.7Very low126 Ų126135.5 Ų135.576%0.76473%0.733SS**  trans41.3132.1130.7168.10000118.5
441S30.9Very low30Very low97 Ų97136 Ų13668%0.67873%0.732SS**  cis-170.9-171.1-3.552.80000107.1
442R30.5Very low29.8Very low220 Ų220137.9 Ų137.983%0.8374%0.736SS**  cis-170.7142.619.8-155.2-179.6-176.6157.8-2.6108.9
443S30Very low29.9Very low87 Ų87139.5 Ų139.561%0.60874%0.736SS**  trans49.4171.6151.366.20000119.1
444D34.3Very low29.9Very low126 Ų126142.6 Ų142.667%0.67474%0.739SS**  cis-141.9123.312.2-83.2-74.4000110.5
445T30.4Very low30Very low109 Ų109146.5 Ų146.567%0.66974%0.741SS**  80.2156.1106.8710000119.3
446N33.4Very low29.8Very low137 Ų137146.8 Ų146.873%0.73374%0.743SS**  trans72.9113.9172.4-51.6-26.1000115.4
447T27.4Very low29.6Very low130 Ų130144.4 Ų144.480%0.79875%0.749SS**  cis65.5112.845.279.90000115.2
448R29.7Very low29.5Very low220 Ų220142.1 Ų142.183%0.8375%0.75SS**  -170.8159.9110.5-169.4159.3174.8138.9-2.3111E450R448-E450 IonicContact CZ-OE1 3.78Å; R448-E450 IonicContact NE-OE1 2.68Å; R448-E450 PolarHBondContact NE-OE1 2.79Å; R448-E450 IonicContact NH2-OE1 3.3Å; R448-E450 PolarHBondContact NH2-OE1 2.94Å
449S28.6Very low29.3Very low97 Ų97139.2 Ų139.268%0.67875%0.75SS**  trans-106.6147.2177.253.30000112
450E30.8Very low29.2Very low147 Ų147136.2 Ų136.269%0.68775%0.748SS**  trans-172.2118.4145-92.6130.8-139.900106R448R448-E450 IonicContact CZ-OE1 3.78Å; R448-E450 IonicContact NE-OE1 2.68Å; R448-E450 PolarHBondContact NE-OE1 2.79Å; R448-E450 IonicContact NH2-OE1 3.3Å; R448-E450 PolarHBondContact NH2-OE1 2.94Å
451T26Very low29.3Very low118 Ų118136.2 Ų136.272%0.72474%0.744SS**  69.1129.171.539.10000118.1
452D28Very low29.3Very low148 Ų148135.8 Ų135.879%0.79174%0.737SS**  trans83.7158150.8-57.8-29.2000123.4
453M29.1Very low29.4Very low167 Ų167133.1 Ų133.182%0.82374%0.74SS**  trans9180.4159.1-56.2-146.86900122.2
454L25.1Very low29.6Very low160 Ų160135.3 Ų135.384%0.83874%0.74SS**  23.1113.4117.4-66.1165.5000120.5
455K29.5Very low29.6Very low203 Ų203136.3 Ų136.388%0.88375%0.746SS**  trans166.7138.7130-91.1168.1178.3-1770108.6
456A25.7Very low29.7Very low90 Ų90137 Ų13774%0.74474%0.744SS**  cis92.2136.435.200000113.8
457A25.9Very low29.6Very low101 Ų101138.1 Ų138.184%0.83575%0.745SS**  trans68155.1-17200000114
458S28.7Very low29.6Very low87 Ų87138 Ų13861%0.60874%0.739SS**  cis-171.9124.2-7.135.30000106.5
459D28.3Very low29.6Very low143 Ų143135.1 Ų135.177%0.76574%0.74SS**  102.8155.690.5-71.6-25.8000112.5
460I31.1Very low29.5Very low148 Ų148136.3 Ų136.376%0.75974%0.743SS**  trans66.8138.8151.1-73.9161.7000117.8
461D31.1Very low29.4Very low125 Ų125134.6 Ų134.667%0.66875%0.747SS**  cis-157.6142.4-13.3-111.2-25.1000108.1
462T30.6Very low29.4Very low88 Ų88132.6 Ų132.654%0.5474%0.743SS.*  74.5129.679.5-580000116.2Q464T462-Q464 VanDerWaalsContact CG2-OE1 3.24Å
463N33.5Very low29.2Very low164 Ų164132.4 Ų132.488%0.87774%0.742SS**  trans-163.5140.6142.2-107.7-54.3000111.6
464Q34Very low29.2Very low133 Ų133131 Ų13162%0.62174%0.743SS**  trans-101.6164.1-172.9-77.191.3-26.800114.6T462T462-Q464 VanDerWaalsContact CG2-OE1 3.24Å
465N34.5Very low29.3Very low148 Ų148128.1 Ų128.179%0.79174%0.736SS**  -158.9129.7118.9-86.4-28000107.3
466I32Very low29.3Very low124 Ų124124.7 Ų124.764%0.63673%0.727SS**  68.412162.9-60.3172.2000108.8
467Q31.9Very low29.4Very low160 Ų160129 Ų12975%0.74873%0.732SS**  cis-157.4141.247.7-151.6149.59.500116.7
468D28.3Very low29.4Very low127 Ų127127.8 Ų127.868%0.67973%0.729SS**  trans17.7139.6142.8-39.9-31.6000123.6
469D29.1Very low29.4Very low159 Ų159132.7 Ų132.785%0.8574%0.739SS**  -168.117394.4-137.9-30.1000113.7
470V27.1Very low29.3Very low122 Ų122131.4 Ų131.474%0.73974%0.738SS**  trans-134.1139.3-151.61770000118.2
471S28.5Very low28.9Very low111 Ų111130 Ų13078%0.77674%0.736SS**  trans174.3132.5139.3-75.40000110.3
472A25.1Very low28.6Very low77 Ų77130.1 Ų130.164%0.63674%0.735SS**  cis71.6129.848.300000113.5
473D24.4Very low28.1Very low143 Ų143132.3 Ų132.377%0.76575%0.749SS**  cis-151.5155.5-10.9-88.5-41.6000107.9
474T29.6Very low27.7Very low139 Ų139132.5 Ų132.585%0.85375%0.747SS**  177.9165.286.8300000111.8
475S27.2Very low27.2Very low98 Ų98134.3 Ų134.369%0.68576%0.755SS**  trans-80.4169.6-176.458.30000114.1
476L28.5Very low26.6Very low132 Ų132137.5 Ų137.569%0.69176%0.756SS**  -171.7142.480.7-82.3170.6000113.1
477H27.5Very low26.3Very low181 Ų181138 Ų13884%0.83876%0.76SS**  trans53.3139.5160-51.9-55.3000120.2
478G27.1Very low26.1Very low75 Ų75137.5 Ų137.577%0.77376%0.758SS**  cis-177.5156.5-4.900000111.7
479K27.8Very low25.9Very low190 Ų190139 Ų13983%0.82677%0.766SS**  trans-99.2170.9172.1-63.8-173.5178.6-177.40110.5
480P26.8Very low25.8Very low115 Ų115138.1 Ų138.175%0.74777%0.766SS**  -131.1158.396.237.9-31.7000114.3
481V23.1Very low25.8Very low118 Ų118135.7 Ų135.772%0.71577%0.765SS**  trans-84.7134160.2172.20000107.2
482I23.2Very low25.6Very low128 Ų128135.6 Ų135.666%0.65677%0.765SS**  trans-106.7114.4170.6-63.7179.3000108.6M484I482-M484 HydrophobicContact CG2-CE 4.12Å; I482-M484 HydrophobicContact CG2-CG 3.96Å
483T21.6Very low25.7Very low134 Ų134138.2 Ų138.282%0.82278%0.775SS**  trans-82.6131.4162.5-13.30000108.3
484M24.4Very low26Very low168 Ų168136.6 Ų136.683%0.82878%0.775SS**  trans-130.9136.1164.3-78.5-172.3178.400109.9I482I482-M484 HydrophobicContact CG2-CE 4.12Å; I482-M484 HydrophobicContact CG2-CG 3.96Å
485E22.6Very low25.9Very low171 Ų171139.5 Ų139.580%0.79978%0.776SS**  trans-75.4140.7176.8-69.3172.6106.800110.9N487E485-N487 PolarHBondContact O-N 2.94Å
486W23.8Very low25.8Very low216 Ų216146.6 Ų146.682%0.81879%0.787SS**  trans-89.290.6169.2-168.250.2000109.7Q488W486-Q488 HydrophobicContact CD2-CG 4.29Å; W486-Q488 HydrophobicContact CE3-CG 3.88Å; W486-Q488 HydrophobicContact CH2-CG 4.16Å; W486-Q488 HydrophobicContact CZ2-CG 4.5Å; W486-Q488 HydrophobicContact CZ3-CG 3.83Å; W486-Q488 PolarHBondContact O-N 3.17Å
487N24.7Very low26Very low135 Ų135149.8 Ų149.872%0.72280%0.796SS**  trans-67.7100.5176.6-80.1-40.1000111.1E485 D489E485-N487 PolarHBondContact O-N 2.94Å; N487-D489 PolarHBondContact O-N 2.92Å
488Q27.1Very low26Very low148 Ų148147.4 Ų147.469%0.69279%0.794SS**  trans-82.194.6164.7-76.8-163.6-23.700110.4W486 V490W486-Q488 HydrophobicContact CD2-CG 4.29Å; W486-Q488 HydrophobicContact CE3-CG 3.88Å; W486-Q488 HydrophobicContact CH2-CG 4.16Å; W486-Q488 HydrophobicContact CZ2-CG 4.5Å; W486-Q488 HydrophobicContact CZ3-CG 3.83Å; W486-Q488 PolarHBondContact O-N 3.17Å; Q488-V490 PolarHBondContact O-N 2.89Å
489D24Very low26.1Very low158 Ų158149.9 Ų149.985%0.84580%0.797SS**  trans-96.675.8176.3-149.6-9.1000111.7N487N487-D489 PolarHBondContact O-N 2.92Å
490V28.3Very low26.1Very low142 Ų142150.6 Ų150.686%0.86180%0.8SS**  trans-141.9107.7170-165.30000112.1Q488Q488-V490 PolarHBondContact O-N 2.89Å
491G26.4Very low26Very low70 Ų70154 Ų15472%0.72280%0.803SS**  trans78.392152.400000117.8
492S25.6Very low26.2Very low109 Ų109155.1 Ų155.176%0.76281%0.805SS**  trans-59.8133.1178.7-41.30000114.6S494S492-S494 PolarHBondContact O-N 3.39Å
493P26.9Very low26.4Very low133 Ų133159.9 Ų159.986%0.86482%0.815SS**  trans-76.481.3173.531.2-34.8000111.8K495P493-K495 PolarHBondContact O-N 3.35Å
494S30Very low26.5Very low108 Ų108158.9 Ų158.976%0.75581%0.809SS**  trans-68.699179.9-85.10000113.6S492S492-S494 PolarHBondContact O-N 3.39Å
495K27.5Very low26.5Very low200 Ų200155.6 Ų155.687%0.8780%0.802SS**  trans37.5100.5148.3-63173.7-177.5168.50116.8P493P493-K495 PolarHBondContact O-N 3.35Å
496R26.1Very low26.6Very low247 Ų247153.2 Ų153.293%0.93280%0.799SS**  trans-122.1103.7151.5-79.9-168170.5-166.7-2.3112.2
497K31.7Very low26.5Very low199 Ų199149.2 Ų149.287%0.86580%0.799SS**  trans-74.5126.8157.4-73.6-175.1174.9-177.60108.6
498T27.6Very low26.5Very low131 Ų131147.9 Ų147.980%0.80480%0.8SS**  trans21.5124.5154.556.10000120.1
499P28.9Very low26.4Very low128 Ų128147.2 Ų147.283%0.83181%0.805SS**  trans-110.5131.5140.93.716.8000111.1
500K28.9Very low26.5Very low204 Ų204148.5 Ų148.589%0.88780%0.803SS**  trans-75.9150.6163.2-79.4178176.2173.80109.8
501K24.3Very low26.5Very low187 Ų187148.2 Ų148.281%0.81380%0.797SS**  trans0.2119.1154.5-79.9-177.1171.7179.30116.7
502N27.8Very low26.6Very low141 Ų141150.5 Ų150.575%0.75480%0.797SS**  157.2139.9112.3-82.5-30.1000114.3
503R26Very low26.5Very low228 Ų228152.1 Ų152.186%0.8680%0.796SS**  trans44.9122.4139.9-79.4-177.6163.8165.8-5.4122.3
504T24.9Very low26.6Very low114 Ų114152.2 Ų152.270%0.69979%0.793SS**  86.388.7121-55.50000120.3
505S23.3Very low26.6Very low99 Ų99152 Ų15269%0.69279%0.791SS**  71.9167.9126.676.80000123.9
506T24.6Very low26.9Very low120 Ų120147.9 Ų147.974%0.73679%0.785SS**  trans88.283.2151.29.50000121.1
507V23.1Very low27.2Very low133 Ų133141.7 Ų141.781%0.80678%0.775SS**  45.8146.1113.9-177.90000121.6
508S24.5Very low27.2Very low106 Ų106136.7 Ų136.774%0.74177%0.771SS**  trans92.2127.9169.173.60000116
509V24.1Very low27.4Very low134 Ų134135.5 Ų135.581%0.81277%0.768SS**  cis97120.724.7175.30000114
510K25.6Very low27.4Very low185 Ų185133.8 Ų133.880%0.80476%0.764SS**  trans145148.9163-87.9176.8180178.10109.3
511N29.4Very low27.7Very low137 Ų137130.8 Ų130.873%0.73375%0.754SS**  cis-134.5178.9-7.3-74.8-46.6000106.8
512V27.3Very low27.9Very low117 Ų117130.1 Ų130.171%0.70975%0.751SS**  cis-165.6136.748.6153.70000110.2
513I25Very low28.2Very low144 Ų144133.6 Ų133.674%0.73875%0.753SS**  trans30.8129.8136.6-40.3173.6000117.5
514V28.5Very low28.5Very low135 Ų135133.5 Ų133.582%0.81875%0.753SS**  cis-135.3168.448.1-161.20000113.1
515S29Very low28.9Very low102 Ų102134.2 Ų134.271%0.71376%0.757SS**  trans-140.1-168.7-172.6-44.40000110.3
516P34.5Very low29.2Very low114 Ų114134 Ų13474%0.7476%0.756SS**  cis-116.2-138.7-16.521.64.9000109.9
517T32.1Very low29.6Very low117 Ų117140 Ų14072%0.71877%0.765SS**  cis-1621495.2-25.60000111.4
518A31.9Very low30.1Very low94 Ų94138.1 Ų138.178%0.77776%0.758SS**  trans48.4149.8147.800000122.6
519S32Very low30.5Very low106 Ų106139.3 Ų139.374%0.74176%0.756SS**  cis-169.4113.2-17.7177.70000106.9
520A29.5Very low30.9Very low92 Ų92139 Ų13976%0.7675%0.754SS**  63.4117.982.500000117.1
521E33.3Very low31.2Very low142 Ų142136.5 Ų136.566%0.66475%0.75SS**  177.2102.2129.7-171.1140.9-134.900112.6
522K29.4Very low31.3Very low173 Ų173135.8 Ų135.875%0.75275%0.75SS**  63.9149.9101.8-52.7172.8-173.6154.60120.6
523R33.2Very low31.5Very low213 Ų213141.1 Ų141.180%0.80476%0.758SS**  trans86.3142.5164.2-60.3174.7179142.8-0.4116
524R33.6Very low31.6Very low227 Ų227138.4 Ų138.486%0.85775%0.751SS**  cis-174.1154.4-25.4-129.6-175-176.4-178.10.7109.4
525V32.6Very low31.7Very low128 Ų128140.6 Ų140.678%0.77675%0.753SS**  trans69.2143.9153.9168.70000117.5
526S30.9Very low31.6Very low96 Ų96141.9 Ų141.967%0.67176%0.756SS**  cis-172161.7-22.8-86.90000110.5
527R32.2Very low31.4Very low246 Ų246144.2 Ų144.293%0.92876%0.763SS**  trans67.5151.9172.4-64.3174.6169.2156-5.2115.9
528S33.9Very low31.2Very low93 Ų93143.9 Ų143.965%0.6576%0.76SS**  cis-165.4-180-32.768.20000107
529D32.8Very low31Very low131 Ų131149.4 Ų149.470%0.70177%0.767SS**  cis-154.5171.39.4-124.3-52.4000109.9
530T33Very low30.9Very low126 Ų126153.8 Ų153.877%0.77377%0.772SS**  trans61149.8170.5540000119.3
531N31.8Very low30.8Very low134 Ų134153.3 Ų153.372%0.71777%0.769SS**  cis-163.4146.9-35.1-139.9-5.4000108.8
532T31.3Very low30.5Very low121 Ų121150.5 Ų150.574%0.74277%0.77SS**  trans44.3130.7155.352.80000120.5
533R29.8Very low30.3Very low230 Ų230146.8 Ų146.887%0.86877%0.766SS**  cis-161.8164.610.6-174.2169.1177.3162-2.8110
534S28.9Very low30Very low87 Ų87143.6 Ų143.661%0.60876%0.764SS**  trans-59.2168.7168.855.20000112.6
535E30.5Very low29.8Very low181 Ų181140.4 Ų140.485%0.84676%0.763SS**  cis-141.615633.8-70.3167.2148.700114.8
536T26.8Very low29.5Very low128 Ų128141.3 Ų141.379%0.78576%0.763SS**  trans-83.8149.9166.746.10000110.8
537D30.6Very low29.5Very low164 Ų164140.8 Ų140.888%0.87776%0.756SS**  -148.5161.8126.8-132.3-28.2000112.8
538V27.1Very low29.2Very low109 Ų109136.4 Ų136.466%0.66175%0.751SS**  trans-105.9133.2-169.3176.20000111.3K540V538-K540 HydrophobicContact CG1-CB 4.28Å
539F28.4Very low29.1Very low211 Ų211138.5 Ų138.593%0.92575%0.751SS**  trans-122.9129.5154.1-109.5-88.8000111.4
540K28.4Very low28.9Very low197 Ų197139 Ų13986%0.85775%0.753SS**  trans-143.495-177.2-172.7-174.9-178.4-1740109V538V538-K540 HydrophobicContact CG1-CB 4.28Å
541A29.2Very low28.7Very low83 Ų83138.2 Ų138.269%0.68674%0.743SS**  trans-131.1123.2168.300000105.3
542A25.9Very low28.4Very low83 Ų83140 Ų14069%0.68675%0.747SS**  55.499.18900000109.4
543S26.3Very low28.4Very low95 Ų95140.6 Ų140.666%0.66475%0.746SS**  cis54.7141.849.3930000112.8
544D25.8Very low28.2Very low145 Ų145137.3 Ų137.378%0.77575%0.746SS**  trans74.968.2171.7-39.2-19.1000115.5
545I29.5Very low28.2Very low160 Ų160139.7 Ų139.782%0.82176%0.756SS**  trans-126.590.3140.7-60.7-175.1000107.2T547I545-T547 VanDerWaalsContact CG2-OG1 3.25Å; I545-T547 WeakPolarHBondContact CG2-OG1 3.38Å
546D27.2Very low28.1Very low147 Ų147135.8 Ų135.879%0.78675%0.749SS**  trans-89.5117.3162.4-174.73.6000107
547T30.2Very low28Very low85 Ų85133.6 Ų133.652%0.52174%0.744SS.*  trans-152.589.5-177.2-48.80000111.5I545 Q549I545-T547 VanDerWaalsContact CG2-OG1 3.25Å; I545-T547 WeakPolarHBondContact CG2-OG1 3.38Å; T547-Q549 HydrophobicContact CG2-CB 3.93Å; T547-Q549 VanDerWaalsContact CG2-OE1 3.23Å; T547-Q549 PolarHBondContact O-N 3.32Å
548N26.5Very low27.9Very low155 Ų155133.1 Ų133.183%0.82974%0.741SS**  trans-67.175.1157.6-81.4-70.3000110.1N550N548-N550 PolarHBondContact O-N 3.05Å
549Q30.6Very low27.8Very low137 Ų137133.9 Ų133.964%0.6475%0.747SS**  trans-85.898.4171.4-142.6651600109.7T547 I551T547-Q549 HydrophobicContact CG2-CB 3.93Å; T547-Q549 VanDerWaalsContact CG2-OE1 3.23Å; T547-Q549 PolarHBondContact O-N 3.32Å; Q549-I551 VanDerWaalsContact C-N 3.32Å; Q549-I551 HydrophobicContact CB-CD1 4.28Å; Q549-I551 HydrophobicContact CB-CG1 4.17Å; Q549-I551 HydrophobicContact CG-CD1 4.12Å; Q549-I551 HydrophobicContact CG-CG1 3.94Å; Q549-I551 PolarHBondContact O-N 2.76Å
550N28.1Very low27.7Very low140 Ų140129.1 Ų129.175%0.74974%0.739SS**  trans-68.487.6171.9-178.354.5000109.8N548N548-N550 PolarHBondContact O-N 3.05Å
551I29.8Very low27.5Very low111 Ų111126.9 Ų126.957%0.56974%0.736SS**  trans-97.6100.2179-63.2178.7000109Q549 D553Q549-I551 VanDerWaalsContact C-N 3.32Å; Q549-I551 HydrophobicContact CB-CD1 4.28Å; Q549-I551 HydrophobicContact CB-CG1 4.17Å; Q549-I551 HydrophobicContact CG-CD1 4.12Å; Q549-I551 HydrophobicContact CG-CG1 3.94Å; Q549-I551 PolarHBondContact O-N 2.76Å; I551-D553 HydrophobicContact CG2-CB 4.09Å; I551-D553 WeakPolarHBondContact CG2-OD1 3.43Å; I551-D553 WeakPolarHBondContact CG2-OD2 3.2Å; I551-D553 PolarHBondContact O-N 3.25Å
552Q25.9Very low27.5Very low171 Ų171131.7 Ų131.780%0.79974%0.744SS**  trans-82.887159.1-64.6-178.8-97.100107.8
553D30.6Very low27.4Very low133 Ų133131.7 Ų131.771%0.71175%0.752SS**  trans-82.6133.6167.9-82.5-22000109.8I551 V555I551-D553 HydrophobicContact CG2-CB 4.09Å; I551-D553 WeakPolarHBondContact CG2-OD1 3.43Å; I551-D553 WeakPolarHBondContact CG2-OD2 3.2Å; I551-D553 PolarHBondContact O-N 3.25Å; D553-V555 PolarHBondContact O-N 2.88Å
554D25.7Very low27.7Very low162 Ų162131.8 Ų131.887%0.86674%0.741SS**  trans-64.2120.6-173.4-81.6-53.8000112.4S556D554-S556 PolarHBondContact O-N 2.86Å
555V28.7Very low27.8Very low137 Ų137129.7 Ų129.783%0.8374%0.735SS**  trans-73.579.8168.1-176.80000108.9D553 A557D553-V555 PolarHBondContact O-N 2.88Å; V555-A557 PolarHBondContact O-N 2.84Å
556S27.7Very low27.8Very low98 Ų98127.3 Ų127.369%0.68573%0.727SS**  trans-62.8100.7169.7-174.20000109.2D554 D558D554-S556 PolarHBondContact O-N 2.86Å; S556-D558 VanDerWaalsContact C-N 3.27Å; S556-D558 PolarHBondContact O-N 3.49Å
557A26.7Very low28.1Very low83 Ų83122.4 Ų122.469%0.68670%0.701SS**  trans-7870.6-17300000112V555 T559V555-A557 PolarHBondContact O-N 2.84Å; A557-T559 PolarHBondContact O-N 3.41Å; A557-T559 VanDerWaalsContact O-N 3.11Å
558D26.5Very low28Very low153 Ų153124 Ų12482%0.81871%0.71SS**  trans-63112.6172.7-94.6-33.4000110.5S556 S560S556-D558 VanDerWaalsContact C-N 3.27Å; S556-D558 PolarHBondContact O-N 3.49Å; D558-S560 PolarHBondContact O-N 2.86Å
559T25.5Very low28.3Very low126 Ų126118.1 Ų118.177%0.77368%0.678SS**  trans-75.394.5-170.752.50000111.7A557 L561A557-T559 PolarHBondContact O-N 3.41Å; A557-T559 VanDerWaalsContact O-N 3.11Å; T559-L561 PolarHBondContact O-N 3.35Å
560S27.7Very low28.2Very low111 Ų111120.2 Ų120.278%0.77669%0.688SS**  trans-62.5126.5161.7-170.10000109.9D558D558-S560 PolarHBondContact O-N 2.86Å
561L24.4Very low28.2Very low150 Ų150118.4 Ų118.479%0.78567%0.671SS**SBendtrans-67.5136.9-177.6-70.1160.7000110.4T559T559-L561 PolarHBondContact O-N 3.35Å
562H27.9Very low28Very low184 Ų184120.4 Ų120.485%0.85268%0.683SS**SBendtrans76.490.6-168.5-51.2-76.8000114.7K564H562-K564 PolarHBondContact O-N 3.32Å; H562-K564 VanDerWaalsContact O-N 3.13Å
563G24.8Very low28.2Very low83 Ų83117.1 Ų117.186%0.85667%0.668SS**  trans-64.4108.5-176.500000114.7
564K32.8Very low27.9Very low97 Ų97118.6 Ų118.642%0.42268%0.675SS.*  trans-117.3138157.5-75.2179.8166.5-175.60108.3T128 N169 H562 V566T128-K564 PolarHBondContact OG1-NZ 3.03Å; N169-K564 WeakPolarHBondContact OD1-CE 3.38Å; N169-K564 PolarHBondContact OD1-NZ 3.37Å; H562-K564 PolarHBondContact O-N 3.32Å; H562-K564 VanDerWaalsContact O-N 3.13Å; K564-V566 PolarHBondContact O-N 3.34Å
565P26.3Very low28.1Very low100 Ų100117 Ų11765%0.64967%0.671SS**  trans-68.4125.4168.529-32.2000109.2I567P565-I567 PolarHBondContact O-N 3.43Å
566V31Very low27.9Very low111 Ų111113.8 Ų113.867%0.67367%0.666SS**  trans-67.7117.2162.4177.40000106.6K564 T568K564-V566 PolarHBondContact O-N 3.34Å; V566-T568 VanDerWaalsContact C-N 3.33Å; V566-T568 HydrophobicContact CG1-CG2 4.43Å; V566-T568 PolarHBondContact O-N 3.28Å; V566-T568 VanDerWaalsContact O-N 3.11Å
567I32.3Very low27.7Very low43 Ų43114.1 Ų114.122%0.22167%0.668CS.*  trans-86.780.5178.7-53.8-176.7000108.4L225 A229 P565 M569L225-I567 HydrophobicContact CB-CD1 4.1Å; L225-I567 HydrophobicContact CD2-CD1 3.77Å; L225-I567 HydrophobicContact CG-CD1 3.68Å; A229-I567 HydrophobicContact CB-CG2 3.92Å; P565-I567 PolarHBondContact O-N 3.43Å; I567-M569 HydrophobicContact CG2-CG 4.09Å; I567-M569 PolarHBondContact O-N 2.9Å
568T29.6Very low27.8Very low118 Ų118115.7 Ų115.772%0.72467%0.671SS**  trans-65.687.7161.132.20000109.1V566 E570V566-T568 VanDerWaalsContact C-N 3.33Å; V566-T568 HydrophobicContact CG1-CG2 4.43Å; V566-T568 PolarHBondContact O-N 3.28Å; V566-T568 VanDerWaalsContact O-N 3.11Å; T568-E570 PolarHBondContact O-N 2.88Å
569M32.3Very low27.9Very low32 Ų32113.9 Ų113.916%0.15867%0.671CS.*  trans-66.687.4160.1-75.4-172-178.500108.4M161 A229 I567M161-M569 HydrophobicContact CE-CE 4.16Å; A229-M569 HydrophobicContact CB-CE 3.54Å; A229-M569 HydrophobicContact CB-CG 4.29Å; I567-M569 HydrophobicContact CG2-CG 4.09Å; I567-M569 PolarHBondContact O-N 2.9Å
570E27.3Very low28.1Very low182 Ų182117.9 Ų117.985%0.8568%0.678SS**  trans-77.5127.9169.3-170.1167.8-126.400109.2T568T568-E570 PolarHBondContact O-N 2.88Å
571W29.7Very low27.9Very low101 Ų101121.7 Ų121.738%0.38368%0.683SS.*  trans-138122.9-172.8-81.994.2000110.8M71 L232 G233 Q573M71-W571 HydrophobicContact CE-CZ2 3.79Å; L232-W571 HydrophobicContact CB-CZ2 4.44Å; L232-W571 WeakPolarHBondContact O-CH2 3.27Å; G233-W571 VanDerWaalsContact CA-CZ2 3.4Å; W571-Q573 PolarHBondContact O-N 2.78Å
572N25.5Very low28.1Very low154 Ų154124.3 Ų124.382%0.82469%0.688SS**  trans-77.3108.2171.6-66.3-20.1000110
573Q29.1Very low28.2Very low102 Ų102122.3 Ų122.348%0.47769%0.689SS.*  trans-85.7103.6164.7-76.4-173.4-2800109.7W571 V575W571-Q573 PolarHBondContact O-N 2.78Å; Q573-V575 WeakPolarHBondContact O-CG2 3.39Å; Q573-V575 PolarHBondContact O-N 3.19Å
574D25.5Very low28.4Very low163 Ų163124.2 Ų124.287%0.87269%0.686SS**  trans-69.1108.7165.2-89.6-39.7000109.6G576D574-G576 PolarHBondContact O-N 3.29Å
575V28.3Very low28.3Very low128 Ų128129.2 Ų129.278%0.77671%0.708SS**  trans-79.567.9-173.3-167.60000111.5Q573 S577Q573-V575 WeakPolarHBondContact O-CG2 3.39Å; Q573-V575 PolarHBondContact O-N 3.19Å; V575-S577 PolarHBondContact O-N 2.98Å
576G24.4Very low28.5Very low70 Ų70131.1 Ų131.172%0.72271%0.706SS**  trans-75104.2-179.300000113.7D574D574-G576 PolarHBondContact O-N 3.29Å
577S25Very low28.5Very low105 Ų105128 Ų12873%0.73469%0.686SS**  trans-62.8136.5176.6-47.10000112.6V575 S579V575-S577 PolarHBondContact O-N 2.98Å; S577-S579 PolarHBondContact O-N 2.91Å
578P27.3Very low28.6Very low116 Ų116130.2 Ų130.275%0.75369%0.694SS**  trans-76.582.7-173.230.6-36.2000113
579S30.3Very low28.5Very low116 Ų116129.3 Ų129.381%0.81169%0.688SS**PPolyproline II helixtrans-70.3140.7174.369.10000112.4S577S577-S579 PolarHBondContact O-N 2.91Å
580K28.1Very low28.4Very low210 Ų210132.5 Ų132.591%0.91371%0.713SS**PPolyproline II helixtrans-78131.7-168.3-66.8171.8-178.8170.30112.2
581Q23.4Very low28.4Very low191 Ų191129.9 Ų129.989%0.89371%0.71SS**PPolyproline II helixtrans-58134.1173.9-69.7-178.1-12.300113.1
582K28.7Very low28.2Very low205 Ų205131.8 Ų131.889%0.89173%0.726SS**  trans-140.3138144.4-82.3-167.4175.1179.10109.3
583T31.4Very low28.5Very low141 Ų141129.8 Ų129.887%0.86572%0.722SS**  trans-81.3144.7-172.825.60000113.3
584P28.1Very low28.5Very low124 Ų124131.6 Ų131.681%0.80574%0.735SS**  trans-94.7163.1-173.637.1-36.8000114.9
585K31.9Very low28.7Very low201 Ų201131.7 Ų131.787%0.87473%0.73SS**  trans-149.2140.3163.6-88.6-178179.81770107.1
586K30.4Very low28.8Very low140 Ų140132.3 Ų132.361%0.60973%0.728SS**  cis-167.5169.2-9.5-160.2177.5160.5-77.70107.9
587D31Very low29Very low47 Ų47133.5 Ų133.525%0.25173%0.725SS.*  trans86.9-177.2154.3-68.8-40.7000120.6I275 G276 G277I275-D587 HydrophobicContact CG2-CB 3.96Å; G276-D587 WeakPolarHBondContact O-CB 3.37Å; G277-D587 CarbonylContact O-C 3.28Å; G277-D587 WeakPolarHBondContact O-CA 3.42Å
588K33.6Very low29.3Very low89 Ų89133.1 Ų133.139%0.38773%0.729SS.*  trans-147.9166.9-134.3-31.1178.9-170.6102.10119I275 G276 G277I275-K588 WeakPolarHBondContact O-CD 3.21Å; I275-K588 WeakPolarHBondContact O-CE 3.18Å; I275-K588 WeakPolarHBondContact O-CG 3.31Å; I275-K588 PolarHBondContact O-NZ 3.45Å; G276-K588 CarbonylContact C-O 3.31Å; G276-K588 VanDerWaalsContact C-O 3.31Å; G276-K588 WeakPolarHBondContact CA-O 3.47Å; G276-K588 PolarHBondContact N-O 3.34Å; G277-K588 VanDerWaalsContact N-N 3.14Å; G277-K588 PolarHBondContact N-O 3.37Å; G277-K588 PolarHBondContact O-N 2.72Å
589T28.4Very low29.4Very low98 Ų98133.2 Ų133.260%0.60172%0.723SS**  trans72.1145.6148.5450000117.4D278D278-T589 PolarHBondContact OD2-N 3.36Å
590S28.5Very low29.3Very low99 Ų99137.3 Ų137.369%0.69272%0.72SS**  cis-154.3-174.96.2-1250000109.9
591T29Very low29.4Very low128 Ų128132.7 Ų132.779%0.78572%0.715SS**  cis-157.3-175.421.5-20.70000110.9
592I25.3Very low29.6Very low140 Ų140127 Ų12772%0.71870%0.7SS**  trans-135146.3170.1-50.1167.4000108.1
593P31.5Very low29.6Very low113 Ų113123.5 Ų123.573%0.73470%0.696SS**  -127145.2110.53.119.3000111.4
594D27.7Very low29.5Very low140 Ų140122.2 Ų122.275%0.74969%0.688SS**  61.9122.371.8-56.3-51000112
595E29.9Very low29.5Very low165 Ų165122.8 Ų122.877%0.77168%0.684SS**  -167162.868-90.1-162.3134.800113.8
596L30.1Very low29.3Very low141 Ų141120.4 Ų120.474%0.73868%0.681SS**  trans44146139.1-58.3171.6000121.7
597S30.2Very low29.2Very low94 Ų94120 Ų12066%0.65769%0.69SS**  cis-179158.8-852.50000111
598A31.3Very low29Very low97 Ų97122.2 Ų122.280%0.80272%0.715SS**  trans64.6151.7146.500000119.7
599D29Very low28.8Very low118 Ų118123.6 Ų123.663%0.63173%0.731SS**  cis-156.9162.5-22.1-160.211.5000111.3
600R29Very low28.8Very low202 Ų202126.5 Ų126.576%0.76274%0.742SS**  trans41.8119.7151.1-83.3167.7-172.6138.1-9.5124.3
601S28.3Very low28.7Very low114 Ų114129.5 Ų129.580%0.79775%0.749SS**  79.3161.1120.486.20000118.9
602A29.3Very low28.5Very low70 Ų70130.7 Ų130.758%0.57975%0.751SS**  cis-160.7148.41.700000112.7
603T28.5Very low28.6Very low133 Ų133130.3 Ų130.382%0.81676%0.755SS**  trans62.4159.3138.558.20000120.3
604V28.7Very low28.5Very low114 Ų114130.4 Ų130.469%0.69176%0.758SS**  cis-169.8153.9-9.2124.90000113.3
605N27.9Very low28.5Very low136 Ų136127.8 Ų127.873%0.72776%0.756SS**  trans71.8161.9154.3-81.55.8000125.4
606N28.7Very low28.2Very low150 Ų150124.9 Ų124.980%0.80275%0.754SS**  trans77.6135171.8-56.9-20.9000115.3
607V27.2Very low28Very low132 Ų132125.8 Ų125.880%0.876%0.759SS**  cis-118.9149.711.2173.90000112
608A27Very low27.7Very low93 Ų93125.7 Ų125.777%0.76976%0.758SS**  trans-140131.1166.100000110.9
609T30.3Very low27.4Very low119 Ų119126.9 Ų126.973%0.7376%0.761SS**  trans-162.4138.316634.10000110.1
610L27.1Very low27.3Very low158 Ų158127.2 Ų127.283%0.82777%0.767SS**  trans67126.5166.2-59.3163.3000116
611L27.1Very low27.2Very low162 Ų162126.1 Ų126.185%0.84877%0.77SS**  cis-128.8150.9-3.5-71.298.1000111.5
612D24.5Very low27.1Very low153 Ų153128.5 Ų128.582%0.81877%0.773SS**  trans-137.2169.7160.1-160.8-12.5000106.9
613T28.3Very low26.9Very low132 Ų132135.6 Ų135.681%0.8179%0.785SS**  trans72.7148.1-160.177.10000114.3
614S29Very low26.8Very low115 Ų115135.3 Ų135.380%0.80478%0.779SS**  cis-135.9160.27.261.40000113.7
615A26.2Very low26.8Very low85 Ų85137.8 Ų137.870%0.70279%0.788SS**  trans-80.1159.7-178.200000113.8
616S25.2Very low26.7Very low104 Ų104138.4 Ų138.473%0.72779%0.789SS**  trans53.1123.5147.3600000120.3
617L25.4Very low26.7Very low161 Ų161137.1 Ų137.184%0.84379%0.791SS**  -178163.3107.2-97.9167.2000113.9
618S24.8Very low26.8Very low91 Ų91136 Ų13664%0.63679%0.785SS**  trans44.3122.9154.758.30000121.6
619S24.6Very low27.1Very low122 Ų122137.9 Ų137.985%0.85379%0.792SS**  trans-58.7131.9149.450.50000112.5
620V27.2Very low27.1Very low125 Ų125135.6 Ų135.676%0.75879%0.792SS**  trans-140.4136.1162.7-1800000108.4
621E25.6Very low27.2Very low180 Ų180138.1 Ų138.184%0.84180%0.796SS**  trans-75.2140.7172.8-62.7173.694.200111
622L27.6Very low27.3Very low163 Ų163138.3 Ų138.385%0.85380%0.797SS**  trans-13884.8165.4-109.6167.4000111.3
623R24.4Very low27.5Very low220 Ų220135.6 Ų135.683%0.8379%0.79SS**  trans-79.2144.1155.1-83.8179.9164.9178.7-4.1109.1
624N25.2Very low27.9Very low127 Ų127136 Ų13668%0.67979%0.786SS**  trans64124.8165.1-53.2-8000117
625N29.5Very low28.1Very low166 Ų166137.4 Ų137.489%0.88878%0.784SS**  -165.2165.198.9-94.8-30.8000112.6
626I27.1Very low28.3Very low148 Ų148138.5 Ų138.576%0.75979%0.787SS**  trans-114.9144-170.6-59.8166.1000109.5T628I626-T628 HydrophobicContact CG2-CG2 4.17Å
627C27.8Very low28.7Very low123 Ų123136.7 Ų136.783%0.83178%0.784SS**  trans-146.1101.6155.6-88.40000108.1
628T28.4Very low29Very low110 Ų110136.5 Ų136.568%0.67578%0.784SS**  67100.870.566.40000116.1I626I626-T628 HydrophobicContact CG2-CG2 4.17Å
629S33.7Very low29.5Very low132 Ų132137.9 Ų137.992%0.92378%0.784SS**  trans-173.8121.9136.7-81.50000110
630G30.7Very low29.8Very low70 Ų70140.8 Ų140.872%0.72278%0.781SS**  cis170.1158.4-11.500000113
631K28.9Very low30Very low211 Ų211140.7 Ų140.792%0.91778%0.783SS**  trans60.4138.4169.2-66.1179.1175.8176.40116.2
632L29.1Very low30.5Very low167 Ų167139 Ų13987%0.87478%0.784SS**  cis-129.3172.825.3-93.3164.3000114.3
633S29.7Very low30.5Very low95 Ų95137.1 Ų137.166%0.66478%0.78SS**  trans-92.3175.417945.40000111.8
634I35Very low30.9Very low141 Ų141138.3 Ų138.372%0.72379%0.785SS**  -166131.565-79.5178.8000111.9
635N34.6Very low31.1Very low144 Ų144141 Ų14177%0.7779%0.79SS**  trans39.7159.9143-56.6-1.9000124.1
636S31.1Very low31.1Very low109 Ų109139 Ų13976%0.76279%0.789SS**  cis178.1143.4-33610000111.5
637G32.8Very low31.3Very low65 Ų65141.2 Ų141.267%0.6779%0.793SS**  trans149.1117165.800000112.8
638L31.5Very low31.5Very low158 Ų158140.5 Ų140.583%0.82779%0.785SS**  71.9129.456.2-57.8168.3000112.5
639N34.4Very low31.8Very low120 Ų120140.8 Ų140.864%0.64279%0.787SS**  cis-165141.34.1-133-16.2000114.1
640K32.6Very low31.7Very low183 Ų183141.6 Ų141.680%0.79678%0.781SS**  trans61.4147.4151.9-69.1174-176.8-178.40123.1
641P31.6Very low31.7Very low122 Ų122142.7 Ų142.779%0.79278%0.783SS**  trans-100.2168.9172.540.4-35.7000114.3
642V34.1Very low32Very low144 Ų144137.5 Ų137.587%0.87378%0.78SS**  trans-139.2143.6174.5177.80000111.6
643T29.5Very low32.2Very low125 Ų125136.5 Ų136.577%0.76778%0.775SS**  trans-124.9140.2178.352.10000113
644R31.3Very low32.2Very low244 Ų244137.7 Ų137.792%0.92178%0.782SS**  trans159.2153.4160-93.2157.8-174.8-149.81.3108.1
645K29.7Very low32Very low185 Ų185140.3 Ų140.380%0.80479%0.788SS**  cis164.7124.8-21.1-118.9-165.7175.8-169.80104.6
646S29.4Very low31.7Very low122 Ų122139 Ų13985%0.85379%0.79SS**  trans61.5158.7166.854.20000117.4
647K32.5Very low31.8Very low195 Ų195141.4 Ų141.485%0.84880%0.795SS**  cis-144.9-174.823-151.9175.3175.1-174.20113
648T31.1Very low31.5Very low109 Ų109144 Ų14467%0.66980%0.797SS**  trans-90.4-173.1-160.8470000116.7
649T34.8Very low31.6Very low115 Ų115143.5 Ų143.571%0.70680%0.801SS**  trans90.6136.8166.269.90000117.1
650D32.4Very low31.2Very low149 Ų149148.1 Ų148.180%0.79781%0.809SS**  cis-159.4162-17.3-109.2-27.5000114.6
651A30.3Very low31.1Very low93 Ų93144.2 Ų144.277%0.76981%0.805SS**  trans35.8127.615300000123.9
652A35.4Very low30.9Very low103 Ų103148.2 Ų148.285%0.85180%0.804SS**  -162.6139.4129.700000112.3
653D31.6Very low30.7Very low146 Ų146152.6 Ų152.678%0.78181%0.807SS**  trans-77.1153.5-171.6-62.7-88.6000116.9
654C30.4Very low30.6Very low119 Ų119151.2 Ų151.280%0.80480%0.802SS**  -173.6105107.2-94.20000115.9
655K32Very low30.4Very low196 Ų196146.5 Ų146.585%0.85279%0.794SS**  trans41.1118.1138.7-64.6176.4-178.8172.40121.1
656S27.4Very low30.4Very low116 Ų116148.6 Ų148.681%0.81180%0.797SS**  trans-76.8161.6155.851.50000112.6
657D32.4Very low30.4Very low161 Ų161148.7 Ų148.786%0.86179%0.793SS**  trans-133.5150.8166.4-141.9-27.2000111.1
658T27.1Very low30.4Very low118 Ų118150.9 Ų150.972%0.72480%0.796SS**  trans-127113.1-167.1-59.90000112.5
659V33.2Very low30.3Very low149 Ų149153.5 Ų153.590%0.90381%0.806SS**  trans-103.5123.1175.6-178.30000111.3
660R25.5Very low30.4Very low217 Ų217153.6 Ų153.682%0.81981%0.811SS**  trans-120.7106.5-173.1177.6-172.4-177.9-178.14.1111.1
661S31.1Very low30.4Very low101 Ų101153.5 Ų153.571%0.70681%0.81SS**  trans-138.5105.9166.2-158.40000108.6
662R26.9Very low31.1Very low205 Ų205164.2 Ų164.277%0.77483%0.83SS**  53.890.376.9-64-168.2-173.5-161.35.5113
663Y30.4Very low30.9Very low237 Ų237167.3 Ų167.393%0.92983%0.829SS**  -149.1142.8125.6-93.2-66.5000109.5
664S27.7Very low30.9Very low95 Ų95168.4 Ų168.466%0.66483%0.832SS**  trans-146.9159.5-175.363.20000109.9
665L27.2Very low30.9Very low145 Ų145171.1 Ų171.176%0.75983%0.833SS**  trans59.897.4158.6-68.2166.9000116.5
666R30.2Very low30.8Very low229 Ų229169.6 Ų169.686%0.86483%0.832SS**  177.3149.289.6-100.8153.7179.4179.9-0.8115
667T28.6Very low31Very low124 Ų124173 Ų17376%0.76183%0.833SS**  trans-51.1144.9159.744.10000113.9
668R32.1Very low30.9Very low242 Ų242173.8 Ų173.891%0.91383%0.832SS**  -171.2147.9117-107.3171.9178.8170.2-0.8113.6
669N29.9Very low31.2Very low164 Ų164177.8 Ų177.888%0.87784%0.839SS**  trans-75.2147.2170.3-51.4-16000110.3
670S36.4Very low31.1Very low116 Ų116180 Ų18081%0.81183%0.834SS**  trans-159.9144.2137.9-171.60000109.4
671L32.6Very low31.5Very low147 Ų147176.9 Ų176.977%0.7784%0.836SS**  trans-77.1155.2176.2-60.987.7000111.3
672R45.2Very low31.6Very low318 Ų318183.8 Ų183.8100%1.285%0.847SS**  -148.40128-147.2177.2-163.7-179.45.9110.9

Retrieved 672 of 672 residues in 135.7 ms (Link to these results)

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