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Kinetochore protein Nuf2

Acts as a component of the essential kinetochore-associated NDC80 complex, which is required for chromosome segregation and spindle checkpoint activity. Required for kinetochore integrity and the organization of stable microtubule binding sites in the outer plate of the kinetochore. The NDC80 complex synergistically enhances the affinity of the SKA1 complex for microtubules and may allow the NDC80 complex to track depolymerizing microtubules.

AlphaFold DB , UniProt , Accession Q99P69, Species MOUSE (Mus musculus, Mouse), Gene Nuf2, Length 463 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
1M34.3Very low73.5Confident235 Ų23594.5 Ų94.5100%1.15850%0.497SS*.  0111.50-68.1-179.4-163.900106.6T3M1-T3 PolarHBondContact O-N 3.04Å; M1-T3 VanDerWaalsContact O-N 3.09Å
2E48.3Very low75.2Confident124 Ų12489.4 Ų89.458%0.57948%0.479SS*.  trans-61.9112.9171.3-71.5179.114600107.2L4 R8E2-L4 VanDerWaalsContact C-N 3.33Å; E2-L4 PolarHBondContact O-N 3.33Å; E2-R8 IonicContact OE2-CZ 2.65Å; E2-R8 IonicContact OE2-NH1 3Å; E2-R8 PolarHBondContact OE2-NH1 3.25Å; E2-R8 IonicContact OE2-NH2 2.75Å; E2-R8 PolarHBondContact OE2-NH2 3.32Å
3T51Low76.7Confident140 Ų14088.6 Ų88.686%0.85947%0.47SS*.  trans-63.398.1169.735.70000107.2M1 S5M1-T3 PolarHBondContact O-N 3.04Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-S5 PolarHBondContact O-N 2.91Å; T3-S5 VanDerWaalsContact O-N 3.08Å
4L54.1Low78Confident93 Ų9382.4 Ų82.449%0.48744%0.437SS..  trans-64.9112.4-178.7-62.9177.2000108.3E2 F6 R8E2-L4 VanDerWaalsContact C-N 3.33Å; E2-L4 PolarHBondContact O-N 3.33Å; L4-F6 PolarHBondContact O-N 3.12Å; L4-R8 HydrophobicContact CD1-CG 4.24Å; L4-R8 HydrophobicContact CD2-CG 4.12Å; L4-R8 VanDerWaalsContact CD2-NH2 3.32Å
5S75.6Confident79.1Confident82 Ų8277.3 Ų77.357%0.57341%0.411SS*.SBendtrans-67.6-16.3175.646.90000112.7T3T3-S5 PolarHBondContact O-N 2.91Å; T3-S5 VanDerWaalsContact O-N 3.08Å
6F85.8Confident80Confident28 Ų2877.1 Ų77.112%0.12341%0.413CS..SBendtrans-153155.7179.749.7-99.7000111.4L4 C99 R100 V101 R119 N126L4-F6 PolarHBondContact O-N 3.12Å; F6-C99 WeakPolarHBondContact CE1-O 3.47Å; F6-R100 HydrophobicContact CD1-CB 4.03Å; F6-R100 HydrophobicContact CE1-CB 4.03Å; F6-V101 HydrophobicContact CE1-CG2 4.13Å; F6-V101 HydrophobicContact CZ-CG2 3.89Å; F6-R119 WeakPolarHBondContact CE2-O 3.42Å; F6-R119 HydrophobicContact CZ-CG 4.41Å; F6-N126 HydrophobicContact CB-CB 4.21Å
7P89.1Confident80.8Confident81 Ų8175.1 Ų75.153%0.52640%0.401SS..PPolyproline II helixtrans-56.9136.6174.9-24.233.8000112.6N126P7-N126 PolarHBondContact O-ND2 2.84Å
8R91Very high81.6Confident109 Ų10970.9 Ų70.941%0.41138%0.378SS..PPolyproline II helixtrans-93130.9173.5-74.1-170.1176.21668.1110.3E2 L4E2-R8 IonicContact OE2-CZ 2.65Å; E2-R8 IonicContact OE2-NH1 3Å; E2-R8 PolarHBondContact OE2-NH1 3.25Å; E2-R8 IonicContact OE2-NH2 2.75Å; E2-R8 PolarHBondContact OE2-NH2 3.32Å; L4-R8 HydrophobicContact CD1-CG 4.24Å; L4-R8 HydrophobicContact CD2-CG 4.12Å; L4-R8 VanDerWaalsContact CD2-NH2 3.32Å
9Y93.8Very high82.2Confident40 Ų4072.5 Ų72.516%0.15738%0.378CS..PPolyproline II helixtrans-94.4140.6173.2-61-64.5000110.4E13 L14 H17 S118 S122 I125 N126Y9-E13 VanDerWaalsContact CA-OE2 3.24Å; Y9-E13 WeakPolarHBondContact CA-OE2 3.41Å; Y9-E13 HydrophobicContact CD1-CB 4.08Å; Y9-E13 HydrophobicContact CG-CB 4.33Å; Y9-L14 HydrophobicContact CD2-CD2 4.21Å; Y9-L14 HydrophobicContact CG-CD2 4.39Å; Y9-H17 AromaticContact CD1-CD2 3.99Å; Y9-H17 AromaticContact CD1-NE2 3.85Å; Y9-H17 AromaticContact CE1-CD2 3.98Å; Y9-H17 AromaticContact CE1-NE2 3.47Å; Y9-H17 WeakPolarHBondContact CE1-NE2 3.43Å; Y9-H17 AromaticContact CZ-NE2 3.81Å; Y9-S118 PolarHBondContact O-OG 3.49Å; Y9-S118 VanDerWaalsContact O-OG 3.12Å; Y9-S122 PolarHBondContact N-OG 3.29Å; Y9-I125 HydrophobicContact CD2-CB 4.41Å; Y9-I125 HydrophobicContact CD2-CD1 4.48Å; Y9-I125 HydrophobicContact CD2-CG2 4.2Å; Y9-I125 HydrophobicContact CE2-CB 4.06Å; Y9-I125 HydrophobicContact CE2-CG2 3.58Å; Y9-N126 PolarHBondContact OH-OD1 2.84Å
10N92.9Very high82.6Confident82 Ų8274.8 Ų74.844%0.43939%0.391SS..PPolyproline II helixtrans-74.4166.8168.568.756.9000110.7A12 E13 L14N10-A12 PolarHBondContact O-N 3.28Å; N10-A12 VanDerWaalsContact O-N 3.14Å; N10-A12 WeakPolarHBondContact OD1-CA 3.48Å; N10-A12 VanDerWaalsContact OD1-CB 3.25Å; N10-A12 WeakPolarHBondContact OD1-CB 3.09Å; N10-A12 PolarHBondContact OD1-N 3.42Å; N10-E13 PolarHBondContact N-OE2 3.46Å; N10-E13 PolarHBondContact ND2-OE1 3.03Å; N10-E13 PolarHBondContact ND2-OE2 3.49Å; N10-E13 VanDerWaalsContact ND2-OE2 3.13Å; N10-E13 PolarHBondContact O-N 3.15Å; N10-E13 VanDerWaalsContact O-N 3.1Å; N10-E13 PolarHBondContact OD1-N 3.43Å; N10-L14 WeakPolarHBondContact O-CG 3.19Å; N10-L14 PolarHBondContact O-N 2.96Å
11V93.1Very high82.9Confident25 Ų2574.5 Ų74.515%0.15239%0.386CS..Hα-helixtrans-57.3-33.3-176.9176.60000112.7V15 K33 F36 L37V11-V15 VanDerWaalsContact O-CG2 3.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.34Å; V11-V15 PolarHBondContact O-N 2.86Å; V11-V15 VanDerWaalsContact O-N 3.17Å; V11-K33 HydrophobicContact CG1-CB 4.38Å; V11-K33 HydrophobicContact CG1-CG 4.41Å; V11-F36 HydrophobicContact CG1-CB 3.71Å; V11-F36 HydrophobicContact CG1-CD2 4.09Å; V11-F36 HydrophobicContact CG1-CG 4.13Å; V11-L37 HydrophobicContact CG1-CD1 4.35Å; V11-L37 HydrophobicContact CG1-CG 4.44Å; V11-L37 HydrophobicContact CG2-CD2 4.43Å; V11-L37 HydrophobicContact CG2-CG 4.47Å
12A93.4Very high85.7Confident34 Ų3463.8 Ų63.828%0.28133%0.334SS..Hα-helixtrans-68.4-44.1178.200000111.7N10 V15 V16 K33N10-A12 PolarHBondContact O-N 3.28Å; N10-A12 VanDerWaalsContact O-N 3.14Å; N10-A12 WeakPolarHBondContact OD1-CA 3.48Å; N10-A12 VanDerWaalsContact OD1-CB 3.25Å; N10-A12 WeakPolarHBondContact OD1-CB 3.09Å; N10-A12 PolarHBondContact OD1-N 3.42Å; A12-V15 PolarHBondContact O-N 3.47Å; A12-V16 WeakPolarHBondContact O-CG2 3.28Å; A12-V16 PolarHBondContact O-N 2.84Å; A12-K33 VanDerWaalsContact CB-CE 3.43Å
13E94.9Very high87.6Confident79 Ų7958 Ų5837%0.36931%0.307SS..Hα-helixtrans-65.1-41.5176.4-69.8163.9168.500111.5Y9 N10 V15 V16 H17Y9-E13 VanDerWaalsContact CA-OE2 3.24Å; Y9-E13 WeakPolarHBondContact CA-OE2 3.41Å; Y9-E13 HydrophobicContact CD1-CB 4.08Å; Y9-E13 HydrophobicContact CG-CB 4.33Å; N10-E13 PolarHBondContact N-OE2 3.46Å; N10-E13 PolarHBondContact ND2-OE1 3.03Å; N10-E13 PolarHBondContact ND2-OE2 3.49Å; N10-E13 VanDerWaalsContact ND2-OE2 3.13Å; N10-E13 PolarHBondContact O-N 3.15Å; N10-E13 VanDerWaalsContact O-N 3.1Å; N10-E13 PolarHBondContact OD1-N 3.43Å; E13-V15 VanDerWaalsContact C-N 3.35Å; E13-V15 PolarHBondContact O-N 3.23Å; E13-V16 PolarHBondContact O-N 3.42Å; E13-V16 VanDerWaalsContact O-N 3.15Å; E13-H17 PolarHBondContact O-CD2 2.77Å; E13-H17 PolarHBondContact O-N 2.93Å
14L94.9Very high88.9Confident1 Ų156.7 Ų56.71%0.00530%0.299CS..Hα-helixtrans-57.3-46.9176-71176.8000111.7Y9 N10 V16 H17 I18 L121 I125Y9-L14 HydrophobicContact CD2-CD2 4.21Å; Y9-L14 HydrophobicContact CG-CD2 4.39Å; N10-L14 WeakPolarHBondContact O-CG 3.19Å; N10-L14 PolarHBondContact O-N 2.96Å; L14-V16 VanDerWaalsContact C-N 3.29Å; L14-V16 PolarHBondContact O-N 2.84Å; L14-H17 PolarHBondContact O-N 2.73Å; L14-I18 HydrophobicContact CB-CD1 4.34Å; L14-I18 WeakPolarHBondContact O-CB 3.17Å; L14-I18 WeakPolarHBondContact O-CD1 3.47Å; L14-I18 WeakPolarHBondContact O-CG1 3.22Å; L14-I18 PolarHBondContact O-N 2.82Å; L14-L121 HydrophobicContact CD1-CB 4.26Å; L14-L121 HydrophobicContact CD1-CD1 4.41Å; L14-L121 HydrophobicContact CD2-CB 3.76Å; L14-I125 HydrophobicContact CD2-CD1 3.41Å; L14-I125 VanDerWaalsContact CD2-CD1 3.41Å
15V94.2Very high90.1Very high7 Ų754.9 Ų54.94%0.04230%0.303CS..Hα-helixtrans-56.8-44.6176.8170.70000110.8V11 A12 E13 R19 K33 F36V11-V15 VanDerWaalsContact O-CG2 3.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.34Å; V11-V15 PolarHBondContact O-N 2.86Å; V11-V15 VanDerWaalsContact O-N 3.17Å; A12-V15 PolarHBondContact O-N 3.47Å; E13-V15 VanDerWaalsContact C-N 3.35Å; E13-V15 PolarHBondContact O-N 3.23Å; V15-R19 WeakPolarHBondContact O-CB 3.32Å; V15-R19 WeakPolarHBondContact O-CG 3.13Å; V15-R19 PolarHBondContact O-N 3.34Å; V15-R19 VanDerWaalsContact O-N 3.09Å; V15-K33 HydrophobicContact CG2-CG 4.48Å; V15-F36 HydrophobicContact CG2-CD2 3.9Å; V15-F36 HydrophobicContact CG2-CE2 3.65Å
16V93.5Very high90.3Very high74 Ų7454.1 Ų54.145%0.44830%0.301SS..Hα-helixtrans-64.1-49.7179.5174.50000111.3A12 E13 L14 I18 R19 N20A12-V16 WeakPolarHBondContact O-CG2 3.28Å; A12-V16 PolarHBondContact O-N 2.84Å; E13-V16 PolarHBondContact O-N 3.42Å; E13-V16 VanDerWaalsContact O-N 3.15Å; L14-V16 VanDerWaalsContact C-N 3.29Å; L14-V16 PolarHBondContact O-N 2.84Å; V16-I18 PolarHBondContact O-N 3.2Å; V16-R19 PolarHBondContact O-N 3.24Å; V16-N20 VanDerWaalsContact O-CG 3.29Å; V16-N20 PolarHBondContact O-N 2.91Å; V16-N20 VanDerWaalsContact O-N 3.13Å; V16-N20 PolarHBondContact O-ND2 3.27Å
17H94.2Very high90.1Very high43 Ų4356.5 Ų56.520%0.19932%0.315CS..Hα-helixtrans-63.4-42.1-179.6-75.9-63.8000112.4Y9 E13 L14 N20 K21 I125 H129Y9-H17 AromaticContact CD1-CD2 3.99Å; Y9-H17 AromaticContact CD1-NE2 3.85Å; Y9-H17 AromaticContact CE1-CD2 3.98Å; Y9-H17 AromaticContact CE1-NE2 3.47Å; Y9-H17 WeakPolarHBondContact CE1-NE2 3.43Å; Y9-H17 AromaticContact CZ-NE2 3.81Å; E13-H17 PolarHBondContact O-CD2 2.77Å; E13-H17 PolarHBondContact O-N 2.93Å; L14-H17 PolarHBondContact O-N 2.73Å; H17-N20 PolarHBondContact O-N 3.12Å; H17-K21 VanDerWaalsContact O-CB 3.26Å; H17-K21 WeakPolarHBondContact O-CB 3.21Å; H17-K21 WeakPolarHBondContact O-CG 3.3Å; H17-K21 PolarHBondContact O-N 2.93Å; H17-I125 HydrophobicContact CB-CD1 3.74Å; H17-I125 HydrophobicContact CB-CG1 4.17Å; H17-I125 HydrophobicContact CB-CG2 3.79Å; H17-H129 AromaticContact CE1-CE1 3.69Å; H17-H129 AromaticContact CE1-NE2 3.92Å; H17-H129 AromaticContact ND1-CE1 3.44Å; H17-H129 PolarHBondContact ND1-CE1 3.45Å; H17-H129 AromaticContact ND1-NE2 3.72Å
18I95Very high89.7Confident0 Ų052.8 Ų52.80%029%0.292CS..Hα-helixtrans-65-42.5-179.9-67.1164000111L14 V16 N20 K21 L22 L23 L31 F36 I48 L121 I125L14-I18 HydrophobicContact CB-CD1 4.34Å; L14-I18 WeakPolarHBondContact O-CB 3.17Å; L14-I18 WeakPolarHBondContact O-CD1 3.47Å; L14-I18 WeakPolarHBondContact O-CG1 3.22Å; L14-I18 PolarHBondContact O-N 2.82Å; V16-I18 PolarHBondContact O-N 3.2Å; I18-N20 VanDerWaalsContact C-N 3.28Å; I18-N20 PolarHBondContact O-N 3.36Å; I18-K21 PolarHBondContact O-N 3.44Å; I18-L22 HydrophobicContact CG1-CD1 4.43Å; I18-L22 HydrophobicContact CG2-CB 4.24Å; I18-L22 PolarHBondContact O-N 3.17Å; I18-L23 HydrophobicContact CG2-CD1 3.83Å; I18-L23 HydrophobicContact CG2-CG 3.79Å; I18-L23 PolarHBondContact O-N 2.81Å; I18-L31 HydrophobicContact CB-CD2 3.8Å; I18-L31 HydrophobicContact CD1-CD2 4.44Å; I18-L31 HydrophobicContact CG2-CD2 3.45Å; I18-L31 VanDerWaalsContact CG2-CD2 3.45Å; I18-F36 HydrophobicContact CD1-CE1 4.44Å; I18-F36 HydrophobicContact CD1-CZ 3.83Å; I18-I48 HydrophobicContact CD1-CD1 4.12Å; I18-I48 HydrophobicContact CD1-CG2 4.47Å; I18-I48 HydrophobicContact CG2-CD1 4.21Å; I18-I48 HydrophobicContact CG2-CG1 3.97Å; I18-I48 HydrophobicContact CG2-CG2 4.45Å; I18-L121 HydrophobicContact CD1-CD1 4.06Å; I18-L121 HydrophobicContact CD1-CD2 4.47Å; I18-I125 HydrophobicContact CG1-CD1 4.14Å
19R92.6Very high89.4Confident101 Ų10155.8 Ų55.838%0.38131%0.308SS..Hα-helixtrans-60.4-37.1174.9-76.8178.2175.8172.9-7.1113.2V15 V16 G28 L31V15-R19 WeakPolarHBondContact O-CB 3.32Å; V15-R19 WeakPolarHBondContact O-CG 3.13Å; V15-R19 PolarHBondContact O-N 3.34Å; V15-R19 VanDerWaalsContact O-N 3.09Å; V16-R19 PolarHBondContact O-N 3.24Å; R19-G28 WeakPolarHBondContact CD-O 3.49Å; R19-G28 WeakPolarHBondContact CG-O 3.27Å; R19-G28 PolarHBondContact NE-O 2.64Å; R19-L31 HydrophobicContact CG-CD2 4.44Å; R19-L31 PolarHBondContact NE-O 2.94Å; R19-L31 PolarHBondContact NH2-O 2.71Å
20N90.4Very high89.1Confident118 Ų11860 Ų6063%0.63133%0.334SS*.Hα-helixtrans-84.1-27.1-176.2-68.5-12.3000112.8V16 H17 I18V16-N20 VanDerWaalsContact O-CG 3.29Å; V16-N20 PolarHBondContact O-N 2.91Å; V16-N20 VanDerWaalsContact O-N 3.13Å; V16-N20 PolarHBondContact O-ND2 3.27Å; H17-N20 PolarHBondContact O-N 3.12Å; I18-N20 VanDerWaalsContact C-N 3.28Å; I18-N20 PolarHBondContact O-N 3.36Å
21K89.5Confident89Confident68 Ų6856.3 Ų56.330%0.29631%0.314SS..Hα-helixtrans-116.8-29.3-167.1-60.6-64-173.81730115.3H17 I18 I128 E132H17-K21 VanDerWaalsContact O-CB 3.26Å; H17-K21 WeakPolarHBondContact O-CB 3.21Å; H17-K21 WeakPolarHBondContact O-CG 3.3Å; H17-K21 PolarHBondContact O-N 2.93Å; I18-K21 PolarHBondContact O-N 3.44Å; K21-I128 HydrophobicContact CB-CG2 4.49Å; K21-E132 WeakPolarHBondContact CD-OE1 3.17Å; K21-E132 WeakPolarHBondContact CE-OE2 3.42Å; K21-E132 IonicContact NZ-OE1 3.3Å; K21-E132 PolarHBondContact NZ-OE1 2.96Å; K21-E132 IonicContact NZ-OE2 3.14Å; K21-E132 PolarHBondContact NZ-OE2 3.32Å
22L91.7Very high89Confident11 Ų1156.8 Ų56.86%0.05832%0.318CS..THydrogen-bonded Turntrans-119.2-47.2-170.3-69.9178.4000113I18 I48 K51 A52 L55 I128I18-L22 HydrophobicContact CG1-CD1 4.43Å; I18-L22 HydrophobicContact CG2-CB 4.24Å; I18-L22 PolarHBondContact O-N 3.17Å; L22-I48 HydrophobicContact CD1-CG2 3.84Å; L22-K51 HydrophobicContact CB-CB 4.47Å; L22-A52 HydrophobicContact CD1-CB 4.35Å; L22-A52 HydrophobicContact CD2-CB 3.94Å; L22-L55 HydrophobicContact CD2-CD2 3.95Å; L22-I128 HydrophobicContact CD1-CD1 4.3Å; L22-I128 HydrophobicContact CD2-CD1 3.59Å; L22-I128 HydrophobicContact CG-CD1 4.09Å
23L88.8Confident89Confident2 Ų261.1 Ų61.11%0.0133%0.331CS..  trans-102.6104.6-177.1-58.9-176.2000109.8I18 D27 L31 M47 I48 K51I18-L23 HydrophobicContact CG2-CD1 3.83Å; I18-L23 HydrophobicContact CG2-CG 3.79Å; I18-L23 PolarHBondContact O-N 2.81Å; L23-D27 HydrophobicContact CB-CB 4.32Å; L23-L31 HydrophobicContact CD1-CB 4.32Å; L23-L31 HydrophobicContact CD1-CD1 4.44Å; L23-L31 HydrophobicContact CD1-CD2 4.08Å; L23-M47 HydrophobicContact CD1-CE 3.65Å; L23-M47 HydrophobicContact CD2-CE 3.95Å; L23-M47 HydrophobicContact CD2-CG 3.93Å; L23-M47 HydrophobicContact CD2-SD 4.09Å; L23-M47 HydrophobicContact CG-CE 4.47Å; L23-I48 HydrophobicContact CD1-CG1 4.18Å; L23-K51 HydrophobicContact CD2-CB 4.32Å; L23-K51 HydrophobicContact CD2-CG 3.83Å
24T78Confident88.9Confident112 Ų11261 Ų6169%0.68734%0.338SS*.  trans-89.2153.5175.355.50000111.3
25G80.2Confident88.8Confident56 Ų5661.7 Ų61.758%0.57734%0.342SS*.THydrogen-bonded Turntrans70.1-133.3172.700000114.9K29G25-K29 PolarHBondContact O-N 2.94Å
26A80Confident88.8Confident65 Ų6561.6 Ų61.654%0.53734%0.341SS..Hα-helixtrans-67.8-38.9-173.500000112.9G28 K29 N30A26-G28 VanDerWaalsContact C-N 3.28Å; A26-G28 PolarHBondContact O-N 3.25Å; A26-K29 PolarHBondContact O-N 3.49Å; A26-K29 VanDerWaalsContact O-N 3.17Å; A26-N30 PolarHBondContact O-N 2.82Å
27D80.1Confident88.6Confident78 Ų7862.1 Ų62.142%0.41734%0.341SS..Hα-helixtrans-61.5-37-178.3-61.3-23.9000111.8L23 M47L23-D27 HydrophobicContact CB-CB 4.32Å; D27-M47 HydrophobicContact CB-CE 4.39Å; D27-M47 HydrophobicContact CB-SD 4Å
28G82.7Confident88.4Confident4 Ų465.4 Ų65.44%0.04137%0.366CS..Hα-helixtrans-69.5-42.7175.400000112.8R19 A26 N30 L31R19-G28 WeakPolarHBondContact CD-O 3.49Å; R19-G28 WeakPolarHBondContact CG-O 3.27Å; R19-G28 PolarHBondContact NE-O 2.64Å; A26-G28 VanDerWaalsContact C-N 3.28Å; A26-G28 PolarHBondContact O-N 3.25Å; G28-N30 VanDerWaalsContact C-N 3.26Å; G28-N30 PolarHBondContact O-N 3.28Å; G28-L31 PolarHBondContact O-N 3.25Å
29K84Confident88.2Confident172 Ų17270.5 Ų70.575%0.74839%0.393SS*.Hα-helixtrans-60.8-36.2-177.6-72.9-176.8-179.7-178.50112.6G25 A26G25-K29 PolarHBondContact O-N 2.94Å; A26-K29 PolarHBondContact O-N 3.49Å; A26-K29 VanDerWaalsContact O-N 3.17Å
30N86.5Confident88.3Confident128 Ų12866 Ų6668%0.68438%0.378SS*.Hα-helixtrans-82.3-19.2-177.4-65.9-21.9000113.7A26 G28 S32A26-N30 PolarHBondContact O-N 2.82Å; G28-N30 VanDerWaalsContact C-N 3.26Å; G28-N30 PolarHBondContact O-N 3.28Å; N30-S32 PolarHBondContact O-N 2.88Å
31L92.2Very high88.4Confident4 Ų465.4 Ų65.42%0.02137%0.369CS..  trans-64.6125.1179.8-17673.5000110.9I18 R19 L23 G28 D35 F36 V44 I48I18-L31 HydrophobicContact CB-CD2 3.8Å; I18-L31 HydrophobicContact CD1-CD2 4.44Å; I18-L31 HydrophobicContact CG2-CD2 3.45Å; I18-L31 VanDerWaalsContact CG2-CD2 3.45Å; R19-L31 HydrophobicContact CG-CD2 4.44Å; R19-L31 PolarHBondContact NE-O 2.94Å; R19-L31 PolarHBondContact NH2-O 2.71Å; L23-L31 HydrophobicContact CD1-CB 4.32Å; L23-L31 HydrophobicContact CD1-CD1 4.44Å; L23-L31 HydrophobicContact CD1-CD2 4.08Å; G28-L31 PolarHBondContact O-N 3.25Å; L31-D35 HydrophobicContact CD1-CB 4.27Å; L31-F36 HydrophobicContact CD1-CE2 3.82Å; L31-F36 HydrophobicContact CD1-CZ 3.98Å; L31-F36 HydrophobicContact CD2-CE2 4.23Å; L31-F36 HydrophobicContact CD2-CZ 4.33Å; L31-F36 HydrophobicContact CG-CE2 4.09Å; L31-F36 HydrophobicContact CG-CZ 4.5Å; L31-V44 HydrophobicContact CD1-CG1 3.46Å; L31-V44 VanDerWaalsContact CD1-CG1 3.46Å; L31-I48 HydrophobicContact CD1-CD1 4.33Å
32S92.5Very high88.5Confident35 Ų3564 Ų6425%0.24537%0.368CS..  trans-136.9171.3-173.767.40000111.9N30 S34 D35 F36N30-S32 PolarHBondContact O-N 2.88Å; S32-S34 PolarHBondContact O-N 3.43Å; S32-S34 PolarHBondContact OG-OG 3.21Å; S32-D35 PolarHBondContact N-OD2 2.95Å; S32-D35 WeakPolarHBondContact O-CB 3.44Å; S32-D35 PolarHBondContact O-N 3.41Å; S32-D35 VanDerWaalsContact O-N 3.14Å; S32-D35 PolarHBondContact OG-OD2 3.21Å; S32-F36 WeakPolarHBondContact O-CD2 3.46Å
33K92.3Very high88.4Confident126 Ų12670 Ų7055%0.54840%0.4SS..G310 helixtrans-61.9-29.6177.4-64-177.6-176.1-178.90112.7V11 A12 V15 D35 F36 L37V11-K33 HydrophobicContact CG1-CB 4.38Å; V11-K33 HydrophobicContact CG1-CG 4.41Å; A12-K33 VanDerWaalsContact CB-CE 3.43Å; V15-K33 HydrophobicContact CG2-CG 4.48Å; K33-D35 PolarHBondContact O-N 3.34Å; K33-F36 PolarHBondContact O-N 3.39Å; K33-L37 PolarHBondContact O-N 2.95Å
34S93Very high88.5Confident76 Ų7671 Ų7153%0.53141%0.406SS..G310 helixtrans-70.2-13.1178.349.20000113.5S32S32-S34 PolarHBondContact O-N 3.43Å; S32-S34 PolarHBondContact OG-OG 3.21Å
35D93.4Very high89.3Confident15 Ų1565.7 Ų65.78%0.0837%0.374CS..G310 helixtrans-79.6-11.5173.8-57.8-53.5000112.6L31 S32 K33 P40 K41 V44L31-D35 HydrophobicContact CD1-CB 4.27Å; S32-D35 PolarHBondContact N-OD2 2.95Å; S32-D35 WeakPolarHBondContact O-CB 3.44Å; S32-D35 PolarHBondContact O-N 3.41Å; S32-D35 VanDerWaalsContact O-N 3.14Å; S32-D35 PolarHBondContact OG-OD2 3.21Å; K33-D35 PolarHBondContact O-N 3.34Å; D35-P40 CarbonylContact O-C 3.57Å; D35-P40 VanDerWaalsContact O-CA 3.31Å; D35-P40 WeakPolarHBondContact O-CA 3.45Å; D35-K41 HydrophobicContact CB-CD 4.5Å; D35-K41 PolarHBondContact O-N 3.37Å; D35-K41 WeakPolarHBondContact OD1-CD 3.27Å; D35-K41 WeakPolarHBondContact OD1-CE 3.32Å; D35-K41 IonicContact OD1-NZ 3.99Å; D35-K41 PolarHBondContact OD1-NZ 3.1Å; D35-V44 HydrophobicContact CB-CG1 4.18Å; D35-V44 HydrophobicContact CB-CG2 4.28Å
36F93.3Very high89.8Confident5 Ų564.9 Ų64.92%0.02235%0.353CS..THydrogen-bonded Turntrans-112.9-20.1179.4-62.6-78.2000113.7V11 V15 I18 L31 S32 K33 N39 L45 I48 T114 L121V11-F36 HydrophobicContact CG1-CB 3.71Å; V11-F36 HydrophobicContact CG1-CD2 4.09Å; V11-F36 HydrophobicContact CG1-CG 4.13Å; V15-F36 HydrophobicContact CG2-CD2 3.9Å; V15-F36 HydrophobicContact CG2-CE2 3.65Å; I18-F36 HydrophobicContact CD1-CE1 4.44Å; I18-F36 HydrophobicContact CD1-CZ 3.83Å; L31-F36 HydrophobicContact CD1-CE2 3.82Å; L31-F36 HydrophobicContact CD1-CZ 3.98Å; L31-F36 HydrophobicContact CD2-CE2 4.23Å; L31-F36 HydrophobicContact CD2-CZ 4.33Å; L31-F36 HydrophobicContact CG-CE2 4.09Å; L31-F36 HydrophobicContact CG-CZ 4.5Å; S32-F36 WeakPolarHBondContact O-CD2 3.46Å; K33-F36 PolarHBondContact O-N 3.39Å; F36-N39 CarbonylContact O-C 3.55Å; F36-L45 HydrophobicContact CE1-CD2 4.05Å; F36-I48 HydrophobicContact CE1-CD1 4.17Å; F36-I48 HydrophobicContact CZ-CD1 3.89Å; F36-T114 PolarHBondContact O-OG1 3.49Å; F36-T114 VanDerWaalsContact O-OG1 3.1Å; F36-L121 HydrophobicContact CD1-CD1 4.27Å; F36-L121 HydrophobicContact CE1-CD1 3.57Å; F36-L121 HydrophobicContact CZ-CD1 4.36Å
37L91.1Very high90.4Very high85 Ų8564.3 Ų64.345%0.44534%0.34SS..SBendtrans-124.5141.9-173-66.3172.6000112.1V11 K33 T114V11-L37 HydrophobicContact CG1-CD1 4.35Å; V11-L37 HydrophobicContact CG1-CG 4.44Å; V11-L37 HydrophobicContact CG2-CD2 4.43Å; V11-L37 HydrophobicContact CG2-CG 4.47Å; K33-L37 PolarHBondContact O-N 2.95Å; L37-T114 HydrophobicContact CD2-CG2 3.46Å; L37-T114 VanDerWaalsContact CD2-CG2 3.46Å
38P89.4Confident91.1Very high113 Ų11360.6 Ų60.673%0.73432%0.321SS*.SBendcis-76-21.9-231.5-35.3000113T114P38-T114 PolarHBondContact O-OG1 3.3Å
39N90.9Very high91.7Very high106 Ų10660.5 Ų60.557%0.56732%0.319SS*.SBendtrans-124.7142.1171.8-65.6-40.3000108.9F36F36-N39 CarbonylContact O-C 3.55Å
40P94.3Very high92.2Very high8 Ų853.2 Ų53.25%0.05229%0.288CS..  trans-66.4140.2177.7-21.235.2000112.2D35 S42 L45 P112 T114 T117D35-P40 CarbonylContact O-C 3.57Å; D35-P40 VanDerWaalsContact O-CA 3.31Å; D35-P40 WeakPolarHBondContact O-CA 3.45Å; P40-S42 PolarHBondContact O-N 2.85Å; P40-L45 HydrophobicContact CB-CD1 3.63Å; P40-L45 HydrophobicContact CB-CD2 4.41Å; P40-L45 HydrophobicContact CB-CG 4.01Å; P40-L45 HydrophobicContact CG-CD1 4.4Å; P40-P112 HydrophobicContact CB-CB 4.09Å; P40-P112 HydrophobicContact CB-CG 4.13Å; P40-P112 HydrophobicContact CG-CB 4.19Å; P40-P112 VanDerWaalsContact O-CG 3.3Å; P40-P112 WeakPolarHBondContact O-CG 3.35Å; P40-T114 WeakPolarHBondContact CD-OG1 3.42Å; P40-T117 HydrophobicContact CB-CG2 4.25Å; P40-T117 HydrophobicContact CG-CG2 3.91Å
41K93.4Very high92.6Very high105 Ų10550.3 Ų50.346%0.45727%0.269SS..  trans-71.4123.4172.9-65.6178.2-175.2166.10109.5D35 D43 V44 L45D35-K41 HydrophobicContact CB-CD 4.5Å; D35-K41 PolarHBondContact O-N 3.37Å; D35-K41 WeakPolarHBondContact OD1-CD 3.27Å; D35-K41 WeakPolarHBondContact OD1-CE 3.32Å; D35-K41 IonicContact OD1-NZ 3.99Å; D35-K41 PolarHBondContact OD1-NZ 3.1Å; K41-D43 PolarHBondContact O-N 3.11Å; K41-V44 HydrophobicContact CB-CB 4.2Å; K41-V44 HydrophobicContact CB-CG2 3.89Å; K41-V44 HydrophobicContact CD-CG2 4.2Å; K41-V44 PolarHBondContact O-N 2.9Å; K41-L45 PolarHBondContact O-N 3.07Å
42S90.6Very high92.8Very high37 Ų3750.1 Ų50.126%0.25927%0.268SS..Hα-helixtrans-54.2-52-179.1-580000111.2P40 V44 L45 Y46P40-S42 PolarHBondContact O-N 2.85Å; S42-V44 PolarHBondContact O-N 2.84Å; S42-V44 VanDerWaalsContact O-N 3.11Å; S42-L45 WeakPolarHBondContact O-CA 3.48Å; S42-L45 WeakPolarHBondContact O-CB 3.42Å; S42-L45 PolarHBondContact O-N 3.27Å; S42-Y46 WeakPolarHBondContact O-CD2 3.26Å; S42-Y46 PolarHBondContact O-N 3.08Å
43D89.8Confident92.9Very high137 Ų13748.4 Ų48.473%0.73326%0.256SS*.Hα-helixtrans-55.4-37.8-178-54.6-34.8000113.8K41 Y46 M47K41-D43 PolarHBondContact O-N 3.11Å; D43-Y46 PolarHBondContact O-N 3.37Å; D43-M47 PolarHBondContact O-N 3.3Å; D43-M47 VanDerWaalsContact O-N 3.14Å
44V91.7Very high93Very high24 Ų2444.9 Ų44.915%0.14524%0.242CC..Hα-helixtrans-68.1-42177.6178.60000110.8L31 D35 K41 S42 M47 I48L31-V44 HydrophobicContact CD1-CG1 3.46Å; L31-V44 VanDerWaalsContact CD1-CG1 3.46Å; D35-V44 HydrophobicContact CB-CG1 4.18Å; D35-V44 HydrophobicContact CB-CG2 4.28Å; K41-V44 HydrophobicContact CB-CB 4.2Å; K41-V44 HydrophobicContact CB-CG2 3.89Å; K41-V44 HydrophobicContact CD-CG2 4.2Å; K41-V44 PolarHBondContact O-N 2.9Å; S42-V44 PolarHBondContact O-N 2.84Å; S42-V44 VanDerWaalsContact O-N 3.11Å; V44-M47 PolarHBondContact O-N 2.95Å; V44-I48 HydrophobicContact CG1-CD1 3.85Å; V44-I48 WeakPolarHBondContact O-CD1 3.38Å; V44-I48 VanDerWaalsContact O-CG1 3.25Å; V44-I48 WeakPolarHBondContact O-CG1 3.41Å; V44-I48 PolarHBondContact O-N 3.4Å
45L93.3Very high93Very high1 Ų144.4 Ų44.41%0.00523%0.233CC..Hα-helixtrans-66.9-38.9176-70.5-175.1000112.8F36 P40 K41 S42 M47 I48 Y49 P112 T117 L121F36-L45 HydrophobicContact CE1-CD2 4.05Å; P40-L45 HydrophobicContact CB-CD1 3.63Å; P40-L45 HydrophobicContact CB-CD2 4.41Å; P40-L45 HydrophobicContact CB-CG 4.01Å; P40-L45 HydrophobicContact CG-CD1 4.4Å; K41-L45 PolarHBondContact O-N 3.07Å; S42-L45 WeakPolarHBondContact O-CA 3.48Å; S42-L45 WeakPolarHBondContact O-CB 3.42Å; S42-L45 PolarHBondContact O-N 3.27Å; L45-M47 VanDerWaalsContact C-N 3.3Å; L45-M47 PolarHBondContact O-N 3.02Å; L45-I48 HydrophobicContact CD2-CD1 4.32Å; L45-I48 PolarHBondContact O-N 3.42Å; L45-Y49 HydrophobicContact CB-CD2 4.45Å; L45-Y49 HydrophobicContact CB-CE2 4.16Å; L45-Y49 WeakPolarHBondContact O-CB 3.47Å; L45-Y49 WeakPolarHBondContact O-CD2 3.32Å; L45-Y49 PolarHBondContact O-N 3.2Å; L45-P112 HydrophobicContact CD1-CB 3.36Å; L45-P112 HydrophobicContact CD1-CG 3.79Å; L45-T117 HydrophobicContact CD1-CG2 3.66Å; L45-T117 HydrophobicContact CD2-CG2 3.47Å; L45-T117 VanDerWaalsContact CD2-CG2 3.47Å; L45-T117 HydrophobicContact CG-CG2 4.21Å; L45-L121 HydrophobicContact CD2-CD1 4.1Å
46Y92.3Very high93Very high38 Ų3844.6 Ų44.615%0.14923%0.234CC..Hα-helixtrans-56.2-49.6174.6-86.9-114.2000110.4S42 D43 I48 Y49 M50 V85 L88 I109S42-Y46 WeakPolarHBondContact O-CD2 3.26Å; S42-Y46 PolarHBondContact O-N 3.08Å; D43-Y46 PolarHBondContact O-N 3.37Å; Y46-I48 PolarHBondContact O-N 3.13Å; Y46-Y49 PolarHBondContact O-N 3.37Å; Y46-M50 HydrophobicContact CD1-CE 4.44Å; Y46-M50 WeakPolarHBondContact O-CB 3.46Å; Y46-M50 VanDerWaalsContact O-CG 3.27Å; Y46-M50 WeakPolarHBondContact O-CG 3.33Å; Y46-M50 PolarHBondContact O-N 3.5Å; Y46-V85 HydrophobicContact CE1-CB 4.22Å; Y46-V85 HydrophobicContact CE1-CG1 4.33Å; Y46-V85 HydrophobicContact CE1-CG2 3.81Å; Y46-V85 VanDerWaalsContact OH-CG1 3.28Å; Y46-V85 WeakPolarHBondContact OH-CG1 3.34Å; Y46-V85 WeakPolarHBondContact OH-CG2 3.35Å; Y46-L88 HydrophobicContact CD1-CD2 3.56Å; Y46-L88 HydrophobicContact CE1-CD2 4.03Å; Y46-L88 HydrophobicContact CG-CD2 3.9Å; Y46-I109 HydrophobicContact CD2-CG2 4.09Å; Y46-I109 HydrophobicContact CE1-CG2 3.97Å; Y46-I109 HydrophobicContact CE2-CG2 3.35Å; Y46-I109 WeakPolarHBondContact OH-CG2 3.42Å
47M91.9Very high93Very high54 Ų5449 Ų4927%0.26625%0.251SS..Hα-helixtrans-58.7-46.3176.7-177.8-178.657.100111.8L23 D27 D43 V44 L45 Y49 M50 K51L23-M47 HydrophobicContact CD1-CE 3.65Å; L23-M47 HydrophobicContact CD2-CE 3.95Å; L23-M47 HydrophobicContact CD2-CG 3.93Å; L23-M47 HydrophobicContact CD2-SD 4.09Å; L23-M47 HydrophobicContact CG-CE 4.47Å; D27-M47 HydrophobicContact CB-CE 4.39Å; D27-M47 HydrophobicContact CB-SD 4Å; D43-M47 PolarHBondContact O-N 3.3Å; D43-M47 VanDerWaalsContact O-N 3.14Å; V44-M47 PolarHBondContact O-N 2.95Å; L45-M47 VanDerWaalsContact C-N 3.3Å; L45-M47 PolarHBondContact O-N 3.02Å; M47-Y49 PolarHBondContact O-N 3.06Å; M47-M50 PolarHBondContact O-N 3.34Å; M47-K51 HydrophobicContact CG-CG 4.46Å; M47-K51 WeakPolarHBondContact O-CB 3.47Å; M47-K51 WeakPolarHBondContact O-CG 3.5Å; M47-K51 PolarHBondContact O-N 3.39Å
48I95.2Very high93.1Very high0 Ų047.3 Ų47.30%026%0.255CS..Hα-helixtrans-61.5-46.1179.4-68.2161.4000111.4I18 L22 L23 L31 F36 V44 L45 Y46 K51 A52 L121I18-I48 HydrophobicContact CD1-CD1 4.12Å; I18-I48 HydrophobicContact CD1-CG2 4.47Å; I18-I48 HydrophobicContact CG2-CD1 4.21Å; I18-I48 HydrophobicContact CG2-CG1 3.97Å; I18-I48 HydrophobicContact CG2-CG2 4.45Å; L22-I48 HydrophobicContact CD1-CG2 3.84Å; L23-I48 HydrophobicContact CD1-CG1 4.18Å; L31-I48 HydrophobicContact CD1-CD1 4.33Å; F36-I48 HydrophobicContact CE1-CD1 4.17Å; F36-I48 HydrophobicContact CZ-CD1 3.89Å; V44-I48 HydrophobicContact CG1-CD1 3.85Å; V44-I48 WeakPolarHBondContact O-CD1 3.38Å; V44-I48 VanDerWaalsContact O-CG1 3.25Å; V44-I48 WeakPolarHBondContact O-CG1 3.41Å; V44-I48 PolarHBondContact O-N 3.4Å; L45-I48 HydrophobicContact CD2-CD1 4.32Å; L45-I48 PolarHBondContact O-N 3.42Å; Y46-I48 PolarHBondContact O-N 3.13Å; I48-K51 PolarHBondContact O-N 2.89Å; I48-A52 PolarHBondContact O-N 3.13Å; I48-L121 HydrophobicContact CG2-CD2 3.64Å
49Y95.7Very high93.2Very high1 Ų142.5 Ų42.50%0.00422%0.224CC..Hα-helixtrans-67.3-43.1179.6-66.6-32.8000112.2L45 Y46 M47 K51 A52 L53 M92 F104 L121 I124L45-Y49 HydrophobicContact CB-CD2 4.45Å; L45-Y49 HydrophobicContact CB-CE2 4.16Å; L45-Y49 WeakPolarHBondContact O-CB 3.47Å; L45-Y49 WeakPolarHBondContact O-CD2 3.32Å; L45-Y49 PolarHBondContact O-N 3.2Å; Y46-Y49 PolarHBondContact O-N 3.37Å; M47-Y49 PolarHBondContact O-N 3.06Å; Y49-K51 VanDerWaalsContact C-N 3.29Å; Y49-K51 PolarHBondContact O-N 3.06Å; Y49-A52 PolarHBondContact O-N 3.15Å; Y49-L53 WeakPolarHBondContact O-CG 3.26Å; Y49-L53 PolarHBondContact O-N 3.32Å; Y49-M92 HydrophobicContact CD1-CE 3.38Å; Y49-M92 HydrophobicContact CD1-SD 4.15Å; Y49-M92 HydrophobicContact CD2-CE 4.19Å; Y49-M92 HydrophobicContact CE1-CE 3.71Å; Y49-M92 HydrophobicContact CE2-CE 4.46Å; Y49-M92 HydrophobicContact CG-CE 3.65Å; Y49-M92 HydrophobicContact CG-SD 4.05Å; Y49-F104 HydrophobicContact CE2-CE2 4.36Å; Y49-F104 HydrophobicContact CE2-CZ 4.4Å; Y49-L121 HydrophobicContact CD1-CD2 4.45Å; Y49-L121 HydrophobicContact CE1-CD2 3.82Å; Y49-I124 HydrophobicContact CD1-CD1 3.82Å; Y49-I124 HydrophobicContact CE1-CD1 3.66Å
50M94Very high93.2Very high19 Ų1944.1 Ų44.19%0.09422%0.222CC..Hα-helixtrans-59.2-41.5173.8-73.8-179.3178.400111.6Y46 M47 L53 Q54 L61 F64 P84 L88Y46-M50 HydrophobicContact CD1-CE 4.44Å; Y46-M50 WeakPolarHBondContact O-CB 3.46Å; Y46-M50 VanDerWaalsContact O-CG 3.27Å; Y46-M50 WeakPolarHBondContact O-CG 3.33Å; Y46-M50 PolarHBondContact O-N 3.5Å; M47-M50 PolarHBondContact O-N 3.34Å; M50-L53 PolarHBondContact O-N 3.28Å; M50-Q54 WeakPolarHBondContact O-CB 3.44Å; M50-Q54 WeakPolarHBondContact O-CG 3.35Å; M50-Q54 PolarHBondContact O-N 2.9Å; M50-L61 HydrophobicContact SD-CD1 4.33Å; M50-F64 HydrophobicContact CB-CE2 4.21Å; M50-F64 HydrophobicContact CB-CZ 4.16Å; M50-F64 HydrophobicContact CE-CB 4.22Å; M50-F64 HydrophobicContact CE-CD1 4.25Å; M50-F64 HydrophobicContact CE-CG 4.1Å; M50-F64 HydrophobicContact CG-CD1 4.3Å; M50-F64 HydrophobicContact CG-CD2 4.31Å; M50-F64 HydrophobicContact CG-CE1 4.04Å; M50-F64 HydrophobicContact CG-CE2 4.06Å; M50-F64 HydrophobicContact CG-CG 4.43Å; M50-F64 HydrophobicContact CG-CZ 3.92Å; M50-F64 HydrophobicContact SD-CD2 4.41Å; M50-F64 HydrophobicContact SD-CG 4.49Å; M50-P84 HydrophobicContact CE-CB 4.24Å; M50-L88 HydrophobicContact CG-CD1 3.88Å
51K94Very high93Very high67 Ų6748.3 Ų48.329%0.29124%0.243SC..Hα-helixtrans-67.2-38177.5-71.2-79.6170.3-156.10112.3L22 L23 M47 I48 Y49 Q54 L55L22-K51 HydrophobicContact CB-CB 4.47Å; L23-K51 HydrophobicContact CD2-CB 4.32Å; L23-K51 HydrophobicContact CD2-CG 3.83Å; M47-K51 HydrophobicContact CG-CG 4.46Å; M47-K51 WeakPolarHBondContact O-CB 3.47Å; M47-K51 WeakPolarHBondContact O-CG 3.5Å; M47-K51 PolarHBondContact O-N 3.39Å; I48-K51 PolarHBondContact O-N 2.89Å; Y49-K51 VanDerWaalsContact C-N 3.29Å; Y49-K51 PolarHBondContact O-N 3.06Å; K51-Q54 WeakPolarHBondContact O-CB 3.35Å; K51-Q54 PolarHBondContact O-N 2.91Å; K51-L55 WeakPolarHBondContact O-CB 3.44Å; K51-L55 PolarHBondContact O-N 3.41Å
52A95.7Very high92.8Very high0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-62.2-44.2173.300000111.6L22 I48 Y49 L55 V56 F95 I124L22-A52 HydrophobicContact CD1-CB 4.35Å; L22-A52 HydrophobicContact CD2-CB 3.94Å; I48-A52 PolarHBondContact O-N 3.13Å; Y49-A52 PolarHBondContact O-N 3.15Å; A52-L55 PolarHBondContact O-N 3.39Å; A52-V56 WeakPolarHBondContact O-CB 3.39Å; A52-V56 WeakPolarHBondContact O-CG2 3.43Å; A52-V56 PolarHBondContact O-N 3.43Å; A52-F95 HydrophobicContact CB-CE1 4.32Å; A52-I124 HydrophobicContact CB-CG2 3.92Å
53L95.5Very high92.8Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-67.6-38.6177.3-67.6170.5000112.7Y49 M50 L55 V56 Y57 G58 F64 L88 Y91 M92 F95Y49-L53 WeakPolarHBondContact O-CG 3.26Å; Y49-L53 PolarHBondContact O-N 3.32Å; M50-L53 PolarHBondContact O-N 3.28Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 2.87Å; L53-V56 PolarHBondContact O-N 2.72Å; L53-Y57 HydrophobicContact CD2-CD2 3.89Å; L53-Y57 HydrophobicContact CD2-CE2 4.05Å; L53-Y57 PolarHBondContact O-N 3Å; L53-G58 PolarHBondContact O-N 3.44Å; L53-F64 HydrophobicContact CB-CZ 4.16Å; L53-F64 HydrophobicContact CD1-CE1 3.79Å; L53-F64 HydrophobicContact CD1-CZ 3.94Å; L53-L88 HydrophobicContact CD1-CD1 3.69Å; L53-Y91 VanDerWaalsContact CD1-CB 3.45Å; L53-Y91 HydrophobicContact CD1-CG 4.34Å; L53-M92 HydrophobicContact CD1-CG 4.13Å; L53-M92 HydrophobicContact CD1-SD 4.1Å; L53-M92 HydrophobicContact CD2-SD 4.25Å; L53-M92 HydrophobicContact CG-SD 4.11Å; L53-F95 HydrophobicContact CD2-CB 3.9Å; L53-F95 HydrophobicContact CD2-CD1 3.95Å; L53-F95 HydrophobicContact CD2-CG 4.05Å
54Q94Very high92.8Very high51 Ų5142 Ų4224%0.23821%0.207CC..Hα-helixtrans-56.2-47.5170.3-85.6172.5-300111.1M50 K51 G58 V59M50-Q54 WeakPolarHBondContact O-CB 3.44Å; M50-Q54 WeakPolarHBondContact O-CG 3.35Å; M50-Q54 PolarHBondContact O-N 2.9Å; K51-Q54 WeakPolarHBondContact O-CB 3.35Å; K51-Q54 PolarHBondContact O-N 2.91Å; Q54-G58 WeakPolarHBondContact O-CA 3.42Å; Q54-G58 PolarHBondContact O-N 2.97Å; Q54-V59 WeakPolarHBondContact CG-O 3.37Å
55L93.5Very high92.7Very high66 Ų6646.8 Ų46.835%0.34622%0.223SC..Hα-helixtrans-67-41.6-178.3179.664.8000112.9L22 K51 A52 L53 I128 R131L22-L55 HydrophobicContact CD2-CD2 3.95Å; K51-L55 WeakPolarHBondContact O-CB 3.44Å; K51-L55 PolarHBondContact O-N 3.41Å; A52-L55 PolarHBondContact O-N 3.39Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 2.87Å; L55-I128 HydrophobicContact CD2-CD1 4.07Å; L55-I128 HydrophobicContact CD2-CG1 4.2Å; L55-I128 HydrophobicContact CD2-CG2 4.04Å; L55-R131 VanDerWaalsContact O-CZ 3.31Å; L55-R131 PolarHBondContact O-NH1 3.15Å; L55-R131 VanDerWaalsContact O-NH1 3.15Å; L55-R131 PolarHBondContact O-NH2 2.86Å
56V93.7Very high92.3Very high19 Ų1952 Ų5212%0.11525%0.249CC..Hα-helixtrans-86.3-44.3-171.7175.40000112.3A52 L53 F95 F127A52-V56 WeakPolarHBondContact O-CB 3.39Å; A52-V56 WeakPolarHBondContact O-CG2 3.43Å; A52-V56 PolarHBondContact O-N 3.43Å; L53-V56 PolarHBondContact O-N 2.72Å; V56-F95 HydrophobicContact CB-CE2 4.25Å; V56-F95 HydrophobicContact CB-CZ 4.46Å; V56-F95 HydrophobicContact CG1-CD2 4.29Å; V56-F95 HydrophobicContact CG1-CE2 3.83Å; V56-F95 HydrophobicContact CG2-CE2 4Å; V56-F95 HydrophobicContact CG2-CZ 3.86Å; V56-F127 HydrophobicContact CG1-CE1 3.76Å; V56-F127 HydrophobicContact CG1-CZ 4.31Å; V56-F127 HydrophobicContact CG2-CD1 4.31Å; V56-F127 HydrophobicContact CG2-CE1 3.85Å
57Y93Very high91.7Very high97 Ų9752.8 Ų52.838%0.3825%0.254SS..Hα-helixtrans-110.9-8.8-173.8-67.2-37.8000114.2L53 V59 F95 I98L53-Y57 HydrophobicContact CD2-CD2 3.89Å; L53-Y57 HydrophobicContact CD2-CE2 4.05Å; L53-Y57 PolarHBondContact O-N 3Å; Y57-V59 PolarHBondContact O-N 3.24Å; Y57-F95 HydrophobicContact CE2-CB 3.95Å; Y57-F95 HydrophobicContact CE2-CD2 4.29Å; Y57-F95 HydrophobicContact CE2-CG 4.35Å; Y57-I98 WeakPolarHBondContact OH-CD1 3.39Å
58G92.9Very high90.8Very high51 Ų5153.2 Ų53.253%0.52626%0.261SS..  trans69.821.4-17500000113.6L53 Q54 R60L53-G58 PolarHBondContact O-N 3.44Å; Q54-G58 WeakPolarHBondContact O-CA 3.42Å; Q54-G58 PolarHBondContact O-N 2.97Å; G58-R60 PolarHBondContact O-N 2.95Å
59V91.7Very high89.7Confident12 Ų1261.7 Ų61.77%0.07330%0.303CS..  trans-62.5120.3177.9178.80000109Q54 Y57 H63 F64 Y91Q54-V59 WeakPolarHBondContact CG-O 3.37Å; Y57-V59 PolarHBondContact O-N 3.24Å; V59-H63 HydrophobicContact CG1-CB 3.83Å; V59-F64 HydrophobicContact CB-CE2 4.39Å; V59-F64 HydrophobicContact CB-CZ 4.27Å; V59-F64 HydrophobicContact CG1-CD2 4.26Å; V59-F64 HydrophobicContact CG1-CE1 4.27Å; V59-F64 HydrophobicContact CG1-CE2 3.63Å; V59-F64 HydrophobicContact CG1-CZ 3.63Å; V59-Y91 HydrophobicContact CG1-CD2 4.34Å; V59-Y91 HydrophobicContact CG1-CE2 3.91Å; V59-Y91 HydrophobicContact CG2-CD1 4.24Å; V59-Y91 HydrophobicContact CG2-CE1 4.09Å
60R91.3Very high88.4Confident140 Ų14069.3 Ų69.353%0.52834%0.344SS..  trans-75.4154.3-179.8-60.4-174.2-63.7-167.6-0.7110.2G58 E62 H63G58-R60 PolarHBondContact O-N 2.95Å; R60-E62 HydrophobicContact CB-CG 3.69Å; R60-E62 IonicContact CZ-OE1 3.42Å; R60-E62 IonicContact NE-OE1 2.92Å; R60-E62 PolarHBondContact NE-OE1 3.12Å; R60-E62 IonicContact NH1-OE1 3.32Å; R60-E62 IonicContact NH2-OE1 2.67Å; R60-E62 PolarHBondContact NH2-OE1 3.13Å; R60-E62 PolarHBondContact O-N 3.29Å; R60-H63 PolarHBondContact N-ND1 3.43Å; R60-H63 PolarHBondContact NE-CE1 2.94Å; R60-H63 PolarHBondContact NE-NE2 3.47Å; R60-H63 PolarHBondContact NH2-NE2 3.04Å; R60-H63 WeakPolarHBondContact O-CB 3.48Å; R60-H63 PolarHBondContact O-N 3.42Å
61L89.1Confident87.3Confident95 Ų9571.7 Ų71.750%0.49736%0.356SS..Hα-helixtrans-55.7-42.3-179.8-176.962.7000112M50 H63 F64 Y65M50-L61 HydrophobicContact SD-CD1 4.33Å; L61-H63 PolarHBondContact O-N 3.35Å; L61-F64 WeakPolarHBondContact O-CD2 3.36Å; L61-F64 PolarHBondContact O-N 2.99Å; L61-Y65 HydrophobicContact CD1-CE2 4.12Å; L61-Y65 HydrophobicContact CG-CE2 4.25Å; L61-Y65 VanDerWaalsContact O-CD2 3.29Å; L61-Y65 WeakPolarHBondContact O-CD2 3.45Å
62E90.4Very high86.3Confident97 Ų9778 Ų7845%0.45339%0.387SS..Hα-helixtrans-55.2-34175.952.5177.5-129.600113.7R60 F64 Y65 M66R60-E62 HydrophobicContact CB-CG 3.69Å; R60-E62 IonicContact CZ-OE1 3.42Å; R60-E62 IonicContact NE-OE1 2.92Å; R60-E62 PolarHBondContact NE-OE1 3.12Å; R60-E62 IonicContact NH1-OE1 3.32Å; R60-E62 IonicContact NH2-OE1 2.67Å; R60-E62 PolarHBondContact NH2-OE1 3.13Å; R60-E62 PolarHBondContact O-N 3.29Å; E62-F64 PolarHBondContact O-N 3.43Å; E62-Y65 CarbonylContact O-C 3.59Å; E62-Y65 WeakPolarHBondContact O-CA 3.07Å; E62-Y65 PolarHBondContact O-N 3.03Å; E62-M66 VanDerWaalsContact O-CG 3.3Å; E62-M66 WeakPolarHBondContact O-CG 3.39Å; E62-M66 PolarHBondContact O-N 3.38Å; E62-M66 VanDerWaalsContact O-N 3.1Å
63H89.9Confident85.2Confident50 Ų5080 Ų8023%0.23140%0.399CS..Hα-helixtrans-64.9-26.2-176.6-63.4154.3000112.4V59 R60 L61 Y65V59-H63 HydrophobicContact CG1-CB 3.83Å; R60-H63 PolarHBondContact N-ND1 3.43Å; R60-H63 PolarHBondContact NE-CE1 2.94Å; R60-H63 PolarHBondContact NE-NE2 3.47Å; R60-H63 PolarHBondContact NH2-NE2 3.04Å; R60-H63 WeakPolarHBondContact O-CB 3.48Å; R60-H63 PolarHBondContact O-N 3.42Å; L61-H63 PolarHBondContact O-N 3.35Å; H63-Y65 PolarHBondContact O-N 3.44Å
64F90.3Very high84.4Confident0 Ų085.6 Ų85.60%043%0.433CS..Hα-helixtrans-68.9-26.4173.8-63.6-78.9000112.4M50 L53 V59 L61 E62 L83 P84 S87 L88 Y91M50-F64 HydrophobicContact CB-CE2 4.21Å; M50-F64 HydrophobicContact CB-CZ 4.16Å; M50-F64 HydrophobicContact CE-CB 4.22Å; M50-F64 HydrophobicContact CE-CD1 4.25Å; M50-F64 HydrophobicContact CE-CG 4.1Å; M50-F64 HydrophobicContact CG-CD1 4.3Å; M50-F64 HydrophobicContact CG-CD2 4.31Å; M50-F64 HydrophobicContact CG-CE1 4.04Å; M50-F64 HydrophobicContact CG-CE2 4.06Å; M50-F64 HydrophobicContact CG-CG 4.43Å; M50-F64 HydrophobicContact CG-CZ 3.92Å; M50-F64 HydrophobicContact SD-CD2 4.41Å; M50-F64 HydrophobicContact SD-CG 4.49Å; L53-F64 HydrophobicContact CB-CZ 4.16Å; L53-F64 HydrophobicContact CD1-CE1 3.79Å; L53-F64 HydrophobicContact CD1-CZ 3.94Å; V59-F64 HydrophobicContact CB-CE2 4.39Å; V59-F64 HydrophobicContact CB-CZ 4.27Å; V59-F64 HydrophobicContact CG1-CD2 4.26Å; V59-F64 HydrophobicContact CG1-CE1 4.27Å; V59-F64 HydrophobicContact CG1-CE2 3.63Å; V59-F64 HydrophobicContact CG1-CZ 3.63Å; L61-F64 WeakPolarHBondContact O-CD2 3.36Å; L61-F64 PolarHBondContact O-N 2.99Å; E62-F64 PolarHBondContact O-N 3.43Å; F64-L83 CarbonylContact O-C 3.24Å; F64-P84 WeakPolarHBondContact O-CA 3.41Å; F64-S87 WeakPolarHBondContact O-CB 3.44Å; F64-S87 PolarHBondContact O-OG 3.34Å; F64-S87 VanDerWaalsContact O-OG 3.04Å; F64-L88 HydrophobicContact CD1-CB 4.38Å; F64-L88 HydrophobicContact CE1-CD1 3.96Å; F64-Y91 HydrophobicContact CD1-CD2 4.15Å; F64-Y91 HydrophobicContact CD1-CE2 4.43Å; F64-Y91 AromaticContact CE1-CD2 3.77Å; F64-Y91 HydrophobicContact CE1-CD2 3.77Å; F64-Y91 HydrophobicContact CE1-CE2 4.33Å
65Y89.2Confident83.7Confident124 Ų12489.9 Ų89.949%0.48645%0.448SS..Hα-helixtrans-99.3-6.2-178.4-61.1-94.6000112.9L61 E62 H63 P84L61-Y65 HydrophobicContact CD1-CE2 4.12Å; L61-Y65 HydrophobicContact CG-CE2 4.25Å; L61-Y65 VanDerWaalsContact O-CD2 3.29Å; L61-Y65 WeakPolarHBondContact O-CD2 3.45Å; E62-Y65 CarbonylContact O-C 3.59Å; E62-Y65 WeakPolarHBondContact O-CA 3.07Å; E62-Y65 PolarHBondContact O-N 3.03Å; H63-Y65 PolarHBondContact O-N 3.44Å; Y65-P84 HydrophobicContact CD1-CG 3.5Å; Y65-P84 VanDerWaalsContact CD1-CG 3.5Å; Y65-P84 HydrophobicContact CE1-CB 4.25Å; Y65-P84 HydrophobicContact CE1-CG 3.33Å; Y65-P84 HydrophobicContact CG-CG 4.22Å
66M86Confident83Confident110 Ų11090.7 Ų90.754%0.54246%0.457SS..PPolyproline II helixtrans-76.8134.1179.7-66.4-159.282.600111.8E62E62-M66 VanDerWaalsContact O-CG 3.3Å; E62-M66 WeakPolarHBondContact O-CG 3.39Å; E62-M66 PolarHBondContact O-N 3.38Å; E62-M66 VanDerWaalsContact O-N 3.1Å
67M78.2Confident82.4Confident55 Ų5595.8 Ų95.827%0.27148%0.48SS..PPolyproline II helixtrans-78.3133.3171.3-169.962.8173.400110.3M69 I71 V73 L83M67-M69 PolarHBondContact O-N 3.05Å; M67-I71 HydrophobicContact CE-CB 4.15Å; M67-I71 HydrophobicContact CE-CG2 4.25Å; M67-V73 HydrophobicContact CE-CB 3.93Å; M67-V73 HydrophobicContact CE-CG2 3.12Å; M67-L83 HydrophobicContact CB-CD1 4.4Å; M67-L83 HydrophobicContact SD-CD1 4.1Å; M67-L83 HydrophobicContact SD-CD2 3.54Å; M67-L83 VanDerWaalsContact SD-CD2 3.54Å; M67-L83 HydrophobicContact SD-CG 4.36Å
68P74Confident81.7Confident63 Ų6396.1 Ų96.141%0.40949%0.488SS..PPolyproline II helixtrans-60.8129.7172.1-20.932.1000110.8N70 I71P68-N70 PolarHBondContact O-N 3.15Å; P68-I71 HydrophobicContact CB-CD1 4.07Å; P68-I71 HydrophobicContact CB-CG1 4.32Å; P68-I71 HydrophobicContact CG-CD1 4.04Å; P68-I71 PolarHBondContact O-N 3Å
69M71.6Confident81Confident179 Ų17996.5 Ų96.588%0.88248%0.476SS*.THydrogen-bonded Turntrans-61.1-14.7-176.3-64.7-63.3-6700114.4M67M67-M69 PolarHBondContact O-N 3.05Å
70N68.8Low80.4Confident161 Ų161102.3 Ų102.386%0.86150%0.503SS*.THydrogen-bonded Turntrans-98.614.1-171-58.7-11.7000113.7P68P68-N70 PolarHBondContact O-N 3.15Å
71I70.3Confident80Confident69 Ų6998.7 Ų98.735%0.35451%0.509SS..  trans-123.4109.1-177.2-49.7176.3000109.4M67 P68 V73M67-I71 HydrophobicContact CE-CB 4.15Å; M67-I71 HydrophobicContact CE-CG2 4.25Å; P68-I71 HydrophobicContact CB-CD1 4.07Å; P68-I71 HydrophobicContact CB-CG1 4.32Å; P68-I71 HydrophobicContact CG-CD1 4.04Å; P68-I71 PolarHBondContact O-N 3Å; I71-V73 HydrophobicContact CB-CG2 4.33Å; I71-V73 HydrophobicContact CG2-CG2 3.48Å; I71-V73 VanDerWaalsContact CG2-CG2 3.48Å; I71-V73 PolarHBondContact O-N 3.28Å; I71-V73 VanDerWaalsContact O-N 3.11Å
72E73.9Confident79.8Confident200 Ų200101 Ų10194%0.93552%0.515SS*.  trans-70101.9165.5-74.2-175.9176.300108.9
73V73Confident79.6Confident41 Ų4197 Ų9725%0.24850%0.497CS..  trans-105.2121.5173.5176.60000109.6M67 I71 Y75 P76 M79M67-V73 HydrophobicContact CE-CB 3.93Å; M67-V73 HydrophobicContact CE-CG2 3.12Å; I71-V73 HydrophobicContact CB-CG2 4.33Å; I71-V73 HydrophobicContact CG2-CG2 3.48Å; I71-V73 VanDerWaalsContact CG2-CG2 3.48Å; I71-V73 PolarHBondContact O-N 3.28Å; I71-V73 VanDerWaalsContact O-N 3.11Å; V73-Y75 PolarHBondContact O-N 3.31Å; V73-P76 WeakPolarHBondContact O-CD 3.45Å; V73-M79 HydrophobicContact CG1-CG 3.78Å
74T77.9Confident79.6Confident118 Ų11895.3 Ų95.372%0.72449%0.491SS*.SBendtrans-60.5-30.7-177.8-42.80000113.1
75Y80.2Confident79.6Confident140 Ų14096.5 Ų96.555%0.54950%0.498SS..  trans-135.479.9-179.7-56.7-71.3000111.9V73 H77 L78V73-Y75 PolarHBondContact O-N 3.31Å; Y75-H77 VanDerWaalsContact C-N 3.27Å; Y75-H77 AromaticContact CD1-CE1 3.89Å; Y75-H77 PolarHBondContact O-N 2.92Å; Y75-L78 HydrophobicContact CD2-CD1 4.49Å; Y75-L78 HydrophobicContact CG-CD1 4.27Å; Y75-L78 PolarHBondContact O-N 2.81Å
76P78.6Confident79.5Confident83 Ų8396.6 Ų96.654%0.53950%0.497SS..Hα-helixtrans-59.2-33.7-175.5-26.235.5000114.3V73 L78 M79 E80V73-P76 WeakPolarHBondContact O-CD 3.45Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 3.4Å; P76-M79 WeakPolarHBondContact O-CB 3.38Å; P76-M79 PolarHBondContact O-N 3.03Å; P76-E80 PolarHBondContact O-N 3.46Å
77H79.7Confident79.8Confident126 Ų12692.1 Ų92.158%0.58348%0.477SS*.Hα-helixtrans-63.2-29.5179.963.5-87.3000113.5Y75 M79Y75-H77 VanDerWaalsContact C-N 3.27Å; Y75-H77 AromaticContact CD1-CE1 3.89Å; Y75-H77 PolarHBondContact O-N 2.92Å; H77-M79 PolarHBondContact O-N 3.28Å
78L79.5Confident80.5Confident105 Ų10589.5 Ų89.555%0.5546%0.464SS..Hα-helixtrans-72.3-22.9175.3-63.2179.2000112Y75 P76 F82Y75-L78 HydrophobicContact CD2-CD1 4.49Å; Y75-L78 HydrophobicContact CG-CD1 4.27Å; Y75-L78 PolarHBondContact O-N 2.81Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 3.4Å; L78-F82 WeakPolarHBondContact O-CD2 3.27Å
79M77.3Confident81.5Confident58 Ų5889 Ų8929%0.28646%0.455SS..Hα-helixtrans-87.4-20.2-178.3-60-59-78.900112.9V73 P76 H77 G81 F82 L83V73-M79 HydrophobicContact CG1-CG 3.78Å; P76-M79 WeakPolarHBondContact O-CB 3.38Å; P76-M79 PolarHBondContact O-N 3.03Å; H77-M79 PolarHBondContact O-N 3.28Å; M79-G81 VanDerWaalsContact C-N 3.27Å; M79-G81 PolarHBondContact O-N 2.75Å; M79-F82 CarbonylContact O-C 3.6Å; M79-F82 WeakPolarHBondContact O-CA 3.28Å; M79-F82 PolarHBondContact O-N 2.92Å; M79-L83 HydrophobicContact CB-CG 4.45Å; M79-L83 WeakPolarHBondContact O-CG 3.33Å; M79-L83 PolarHBondContact O-N 3.27Å
80E80.1Confident82.5Confident134 Ų13487.2 Ų87.263%0.62644%0.443SS*.THydrogen-bonded Turntrans-53.5-41.6-173.8-169.2172.2-169.300112.8P76 F82 P84P76-E80 PolarHBondContact O-N 3.46Å; E80-F82 PolarHBondContact O-N 2.95Å; E80-P84 VanDerWaalsContact O-CD 3.27Å; E80-P84 WeakPolarHBondContact O-CD 3.3Å
81G81.5Confident83.7Confident64 Ų6482.6 Ų82.666%0.6641%0.414SS*.THydrogen-bonded Turntrans-71.1-26.5176.100000114.8M79M79-G81 VanDerWaalsContact C-N 3.27Å; M79-G81 PolarHBondContact O-N 2.75Å
82F84.4Confident84.9Confident143 Ų14379.3 Ų79.363%0.62740%0.397SS*.THydrogen-bonded Turntrans-90.3-21.7-179.7-65.6-79.7000113.1L78 M79 E80 V85 R86L78-F82 WeakPolarHBondContact O-CD2 3.27Å; M79-F82 CarbonylContact O-C 3.6Å; M79-F82 WeakPolarHBondContact O-CA 3.28Å; M79-F82 PolarHBondContact O-N 2.92Å; E80-F82 PolarHBondContact O-N 2.95Å; F82-V85 PolarHBondContact O-N 3.43Å; F82-R86 WeakPolarHBondContact O-CB 3.5Å; F82-R86 PolarHBondContact O-N 3.35Å
83L87.5Confident85.9Confident15 Ų1573.8 Ų73.88%0.07937%0.374CS..Hα-helixtrans-56.8-49.7-176.8-79.7173000113.1F64 M67 M79 V85 R86 S87F64-L83 CarbonylContact O-C 3.24Å; M67-L83 HydrophobicContact CB-CD1 4.4Å; M67-L83 HydrophobicContact SD-CD1 4.1Å; M67-L83 HydrophobicContact SD-CD2 3.54Å; M67-L83 VanDerWaalsContact SD-CD2 3.54Å; M67-L83 HydrophobicContact SD-CG 4.36Å; M79-L83 HydrophobicContact CB-CG 4.45Å; M79-L83 WeakPolarHBondContact O-CG 3.33Å; M79-L83 PolarHBondContact O-N 3.27Å; L83-V85 VanDerWaalsContact C-N 3.3Å; L83-V85 PolarHBondContact O-N 2.98Å; L83-R86 PolarHBondContact O-N 3.39Å; L83-S87 VanDerWaalsContact O-CB 3.3Å; L83-S87 WeakPolarHBondContact O-CB 3.41Å; L83-S87 PolarHBondContact O-N 3.43Å; L83-S87 PolarHBondContact O-OG 3.38Å
84P89Confident86.9Confident14 Ų1475.3 Ų75.39%0.09139%0.387CS..Hα-helixtrans-60.2-40.6-179.5-25.536.2000112.7M50 F64 Y65 E80 L88M50-P84 HydrophobicContact CE-CB 4.24Å; F64-P84 WeakPolarHBondContact O-CA 3.41Å; Y65-P84 HydrophobicContact CD1-CG 3.5Å; Y65-P84 VanDerWaalsContact CD1-CG 3.5Å; Y65-P84 HydrophobicContact CE1-CB 4.25Å; Y65-P84 HydrophobicContact CE1-CG 3.33Å; Y65-P84 HydrophobicContact CG-CG 4.22Å; E80-P84 VanDerWaalsContact O-CD 3.27Å; E80-P84 WeakPolarHBondContact O-CD 3.3Å; P84-L88 WeakPolarHBondContact O-CB 3.3Å; P84-L88 PolarHBondContact O-N 3.08Å
85V90.4Very high87.8Confident25 Ų2569.7 Ų69.715%0.15235%0.352CS..Hα-helixtrans-63.5-48.7178.2-173.90000110.6Y46 F82 L83 L88 F89 I109 L110Y46-V85 HydrophobicContact CE1-CB 4.22Å; Y46-V85 HydrophobicContact CE1-CG1 4.33Å; Y46-V85 HydrophobicContact CE1-CG2 3.81Å; Y46-V85 VanDerWaalsContact OH-CG1 3.28Å; Y46-V85 WeakPolarHBondContact OH-CG1 3.34Å; Y46-V85 WeakPolarHBondContact OH-CG2 3.35Å; F82-V85 PolarHBondContact O-N 3.43Å; L83-V85 VanDerWaalsContact C-N 3.3Å; L83-V85 PolarHBondContact O-N 2.98Å; V85-L88 PolarHBondContact O-N 3.13Å; V85-F89 WeakPolarHBondContact O-CB 3.27Å; V85-F89 PolarHBondContact O-N 2.69Å; V85-I109 HydrophobicContact CG1-CG2 4.29Å; V85-L110 HydrophobicContact CG1-CD2 3.89Å
86R88.5Confident88.6Confident125 Ų12563.1 Ų63.147%0.47233%0.326SS..Hα-helixtrans-65.5-47.3-178.8-177.8-176.6178.3-162.30.4111.5F82 L83 L88 F89 F90F82-R86 WeakPolarHBondContact O-CB 3.5Å; F82-R86 PolarHBondContact O-N 3.35Å; L83-R86 PolarHBondContact O-N 3.39Å; R86-L88 VanDerWaalsContact C-N 3.34Å; R86-F89 PolarHBondContact O-N 3Å; R86-F90 WeakPolarHBondContact O-CB 3.27Å; R86-F90 PolarHBondContact O-N 3.19Å
87S91Very high89.4Confident17 Ų1762 Ų6212%0.11932%0.319CS..Hα-helixtrans-61.8-44.2177.6-62.10000110.7F64 L83 F90 Y91F64-S87 WeakPolarHBondContact O-CB 3.44Å; F64-S87 PolarHBondContact O-OG 3.34Å; F64-S87 VanDerWaalsContact O-OG 3.04Å; L83-S87 VanDerWaalsContact O-CB 3.3Å; L83-S87 WeakPolarHBondContact O-CB 3.41Å; L83-S87 PolarHBondContact O-N 3.43Å; L83-S87 PolarHBondContact O-OG 3.38Å; S87-F90 PolarHBondContact O-N 2.91Å; S87-Y91 WeakPolarHBondContact O-CD2 3.46Å; S87-Y91 PolarHBondContact O-N 3.39Å
88L93.5Very high90Very high0 Ų059.8 Ų59.80%031%0.311CS..Hα-helixtrans-59.3-49.4175.3-178.562.5000111.3Y46 M50 L53 F64 P84 V85 R86 F90 Y91 M92 I109Y46-L88 HydrophobicContact CD1-CD2 3.56Å; Y46-L88 HydrophobicContact CE1-CD2 4.03Å; Y46-L88 HydrophobicContact CG-CD2 3.9Å; M50-L88 HydrophobicContact CG-CD1 3.88Å; L53-L88 HydrophobicContact CD1-CD1 3.69Å; F64-L88 HydrophobicContact CD1-CB 4.38Å; F64-L88 HydrophobicContact CE1-CD1 3.96Å; P84-L88 WeakPolarHBondContact O-CB 3.3Å; P84-L88 PolarHBondContact O-N 3.08Å; V85-L88 PolarHBondContact O-N 3.13Å; R86-L88 VanDerWaalsContact C-N 3.34Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 3.35Å; L88-Y91 PolarHBondContact O-N 2.97Å; L88-M92 HydrophobicContact CD1-CG 3.98Å; L88-M92 HydrophobicContact CG-CG 4.23Å; L88-M92 VanDerWaalsContact O-CB 3.27Å; L88-M92 WeakPolarHBondContact O-CB 3.47Å; L88-M92 WeakPolarHBondContact O-CG 3.42Å; L88-M92 PolarHBondContact O-N 3.49Å; L88-I109 HydrophobicContact CD2-CG2 4.39Å; L88-I109 HydrophobicContact CG-CD1 4.34Å
89F94.1Very high90.8Very high51 Ų5155 Ų5522%0.22429%0.286CS..Hα-helixtrans-57.7-46.3176.7178-108.5000111.2V85 R86 Y91 M92 D93 F104 I106 I109V85-F89 WeakPolarHBondContact O-CB 3.27Å; V85-F89 PolarHBondContact O-N 2.69Å; R86-F89 PolarHBondContact O-N 3Å; F89-Y91 PolarHBondContact O-N 3.1Å; F89-M92 PolarHBondContact O-N 2.96Å; F89-D93 HydrophobicContact CE1-CB 4.47Å; F89-D93 HydrophobicContact CE2-CB 4.42Å; F89-D93 HydrophobicContact CZ-CB 4.24Å; F89-D93 VanDerWaalsContact O-CB 3.23Å; F89-D93 WeakPolarHBondContact O-CB 3.43Å; F89-D93 PolarHBondContact O-N 3.05Å; F89-F104 HydrophobicContact CD2-CD1 4.46Å; F89-F104 HydrophobicContact CD2-CE1 4.04Å; F89-F104 HydrophobicContact CE2-CD1 4.24Å; F89-F104 HydrophobicContact CE2-CE1 4.27Å; F89-I106 HydrophobicContact CB-CG1 4.5Å; F89-I106 HydrophobicContact CD2-CB 3.94Å; F89-I106 HydrophobicContact CD2-CG1 4.27Å; F89-I106 HydrophobicContact CE2-CB 4.01Å; F89-I106 VanDerWaalsContact CE2-N 3.27Å; F89-I106 HydrophobicContact CG-CB 4.22Å; F89-I106 HydrophobicContact CG-CD1 4.47Å; F89-I106 HydrophobicContact CG-CG1 4.18Å; F89-I106 HydrophobicContact CZ-CB 4.32Å; F89-I109 HydrophobicContact CB-CD1 3.81Å; F89-I109 HydrophobicContact CD2-CD1 3.99Å; F89-I109 HydrophobicContact CG-CD1 4.41Å
90F92.3Very high91.6Very high142 Ų14260.8 Ų60.862%0.62331%0.305SS*.Hα-helixtrans-57.5-47.8179178.7-96.9000112.8R86 S87 L88 S94R86-F90 WeakPolarHBondContact O-CB 3.27Å; R86-F90 PolarHBondContact O-N 3.19Å; S87-F90 PolarHBondContact O-N 2.91Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 3.35Å; F90-S94 PolarHBondContact O-N 2.91Å
91Y94.8Very high92.2Very high64 Ų6454.7 Ų54.725%0.25128%0.276SS..Hα-helixtrans-68.7-38.8177.1-71.8-61.1000112.6L53 V59 F64 S87 L88 F89 S94 F95L53-Y91 VanDerWaalsContact CD1-CB 3.45Å; L53-Y91 HydrophobicContact CD1-CG 4.34Å; V59-Y91 HydrophobicContact CG1-CD2 4.34Å; V59-Y91 HydrophobicContact CG1-CE2 3.91Å; V59-Y91 HydrophobicContact CG2-CD1 4.24Å; V59-Y91 HydrophobicContact CG2-CE1 4.09Å; F64-Y91 HydrophobicContact CD1-CD2 4.15Å; F64-Y91 HydrophobicContact CD1-CE2 4.43Å; F64-Y91 AromaticContact CE1-CD2 3.77Å; F64-Y91 HydrophobicContact CE1-CD2 3.77Å; F64-Y91 HydrophobicContact CE1-CE2 4.33Å; S87-Y91 WeakPolarHBondContact O-CD2 3.46Å; S87-Y91 PolarHBondContact O-N 3.39Å; L88-Y91 PolarHBondContact O-N 2.97Å; F89-Y91 PolarHBondContact O-N 3.1Å; Y91-S94 PolarHBondContact O-N 3.32Å; Y91-F95 VanDerWaalsContact O-CB 3.29Å; Y91-F95 WeakPolarHBondContact O-CB 3.33Å; Y91-F95 PolarHBondContact O-N 2.96Å
92M95.7Very high92.8Very high0 Ų058 Ų580%028%0.279CS..Hα-helixtrans-67.2-41.9178-74.5-63.4-69.400111.9Y49 L53 L88 F89 S94 F95 M96 F104 I124Y49-M92 HydrophobicContact CD1-CE 3.38Å; Y49-M92 HydrophobicContact CD1-SD 4.15Å; Y49-M92 HydrophobicContact CD2-CE 4.19Å; Y49-M92 HydrophobicContact CE1-CE 3.71Å; Y49-M92 HydrophobicContact CE2-CE 4.46Å; Y49-M92 HydrophobicContact CG-CE 3.65Å; Y49-M92 HydrophobicContact CG-SD 4.05Å; L53-M92 HydrophobicContact CD1-CG 4.13Å; L53-M92 HydrophobicContact CD1-SD 4.1Å; L53-M92 HydrophobicContact CD2-SD 4.25Å; L53-M92 HydrophobicContact CG-SD 4.11Å; L88-M92 HydrophobicContact CD1-CG 3.98Å; L88-M92 HydrophobicContact CG-CG 4.23Å; L88-M92 VanDerWaalsContact O-CB 3.27Å; L88-M92 WeakPolarHBondContact O-CB 3.47Å; L88-M92 WeakPolarHBondContact O-CG 3.42Å; L88-M92 PolarHBondContact O-N 3.49Å; F89-M92 PolarHBondContact O-N 2.96Å; M92-S94 PolarHBondContact O-N 3.02Å; M92-F95 PolarHBondContact O-N 3.23Å; M92-F95 HydrophobicContact SD-CD1 4.07Å; M92-M96 HydrophobicContact CB-CG 4.49Å; M92-M96 HydrophobicContact CE-CG 3.83Å; M92-M96 HydrophobicContact CE-SD 3.45Å; M92-M96 WeakPolarHBondContact CE-SD 3.48Å; M92-M96 WeakPolarHBondContact O-CB 3.49Å; M92-M96 WeakPolarHBondContact O-CG 3.49Å; M92-M96 PolarHBondContact O-N 2.85Å; M92-F104 HydrophobicContact CB-CD1 4.29Å; M92-F104 HydrophobicContact CB-CE1 3.54Å; M92-F104 HydrophobicContact CB-CZ 4Å; M92-F104 HydrophobicContact CE-CE2 4.3Å; M92-F104 HydrophobicContact CE-CZ 4.04Å; M92-F104 HydrophobicContact CG-CE1 4.41Å; M92-F104 HydrophobicContact CG-CZ 4.41Å; M92-I124 HydrophobicContact CE-CD1 4Å
93D94.2Very high93.2Very high84 Ų8454.1 Ų54.145%0.44927%0.265SS..Hα-helixtrans-59-36.8177.3-169.956.4000111.4F89 P97F89-D93 HydrophobicContact CE1-CB 4.47Å; F89-D93 HydrophobicContact CE2-CB 4.42Å; F89-D93 HydrophobicContact CZ-CB 4.24Å; F89-D93 VanDerWaalsContact O-CB 3.23Å; F89-D93 WeakPolarHBondContact O-CB 3.43Å; F89-D93 PolarHBondContact O-N 3.05Å; D93-P97 WeakPolarHBondContact O-CD 3.35Å; D93-P97 WeakPolarHBondContact O-CG 3.49Å
94S94.3Very high93.6Very high74 Ų7453.9 Ų53.952%0.51726%0.263SS..Hα-helixtrans-73.4-35.3171.7-176.20000113.6F90 Y91 M92F90-S94 PolarHBondContact O-N 2.91Å; Y91-S94 PolarHBondContact O-N 3.32Å; M92-S94 PolarHBondContact O-N 3.02Å
95F96.9Very high93.9Very high0 Ų058.4 Ų58.40%028%0.283CS..Hα-helixtrans-81.3-39-174.6177.7-133.6000114A52 L53 V56 Y57 Y91 M92 I98 C99 I124 F127A52-F95 HydrophobicContact CB-CE1 4.32Å; L53-F95 HydrophobicContact CD2-CB 3.9Å; L53-F95 HydrophobicContact CD2-CD1 3.95Å; L53-F95 HydrophobicContact CD2-CG 4.05Å; V56-F95 HydrophobicContact CB-CE2 4.25Å; V56-F95 HydrophobicContact CB-CZ 4.46Å; V56-F95 HydrophobicContact CG1-CD2 4.29Å; V56-F95 HydrophobicContact CG1-CE2 3.83Å; V56-F95 HydrophobicContact CG2-CE2 4Å; V56-F95 HydrophobicContact CG2-CZ 3.86Å; Y57-F95 HydrophobicContact CE2-CB 3.95Å; Y57-F95 HydrophobicContact CE2-CD2 4.29Å; Y57-F95 HydrophobicContact CE2-CG 4.35Å; Y91-F95 VanDerWaalsContact O-CB 3.29Å; Y91-F95 WeakPolarHBondContact O-CB 3.33Å; Y91-F95 PolarHBondContact O-N 2.96Å; M92-F95 PolarHBondContact O-N 3.23Å; M92-F95 HydrophobicContact SD-CD1 4.07Å; F95-I98 VanDerWaalsContact O-CB 3.25Å; F95-I98 WeakPolarHBondContact O-CB 3.49Å; F95-I98 PolarHBondContact O-N 2.93Å; F95-C99 WeakPolarHBondContact CE2-SG 3.47Å; F95-C99 WeakPolarHBondContact CZ-SG 3.24Å; F95-C99 PolarHBondContact O-N 2.96Å; F95-I124 HydrophobicContact CE1-CG1 4.02Å; F95-I124 HydrophobicContact CE1-CG2 4.14Å; F95-I124 HydrophobicContact CZ-CG2 4.4Å; F95-F127 AromaticContact CE2-CD1 3.64Å; F95-F127 HydrophobicContact CE2-CD1 3.64Å; F95-F127 AromaticContact CE2-CE1 3.61Å; F95-F127 HydrophobicContact CE2-CE1 3.61Å; F95-F127 HydrophobicContact CE2-CG 4.44Å; F95-F127 HydrophobicContact CE2-CZ 4.39Å; F95-F127 AromaticContact CZ-CD1 3.81Å; F95-F127 HydrophobicContact CZ-CD1 3.81Å; F95-F127 HydrophobicContact CZ-CE1 4.15Å
96M96.2Very high94Very high1 Ų160.8 Ų60.81%0.00529%0.294CS..THydrogen-bonded Turntrans-61.9-39-172.3-71.2-58-7700113.7M92 I98 C99 R100 V101 F104 F120 I124M92-M96 HydrophobicContact CB-CG 4.49Å; M92-M96 HydrophobicContact CE-CG 3.83Å; M92-M96 HydrophobicContact CE-SD 3.45Å; M92-M96 WeakPolarHBondContact CE-SD 3.48Å; M92-M96 WeakPolarHBondContact O-CB 3.49Å; M92-M96 WeakPolarHBondContact O-CG 3.49Å; M92-M96 PolarHBondContact O-N 2.85Å; M96-I98 PolarHBondContact O-N 3.09Å; M96-C99 CarbonylContact O-C 3.6Å; M96-C99 WeakPolarHBondContact O-CA 3.42Å; M96-C99 WeakPolarHBondContact O-CB 3.41Å; M96-C99 PolarHBondContact O-N 3.39Å; M96-R100 PolarHBondContact O-N 3.49Å; M96-V101 CarbonylContact C-O 3.44Å; M96-V101 HydrophobicContact CB-CB 4.28Å; M96-V101 HydrophobicContact CE-CB 3.68Å; M96-V101 HydrophobicContact CE-CG1 3.63Å; M96-V101 HydrophobicContact CE-CG2 3.88Å; M96-V101 PolarHBondContact O-N 2.99Å; M96-F104 HydrophobicContact CB-CB 4.08Å; M96-F104 HydrophobicContact CB-CG 4.38Å; M96-F104 HydrophobicContact CE-CB 4.44Å; M96-F104 HydrophobicContact CE-CD2 3.9Å; M96-F104 HydrophobicContact CE-CE2 4.49Å; M96-F104 HydrophobicContact CE-CG 4.34Å; M96-F104 HydrophobicContact CG-CB 4.04Å; M96-F104 HydrophobicContact CG-CD1 4.03Å; M96-F104 HydrophobicContact CG-CD2 4.13Å; M96-F104 HydrophobicContact CG-CG 3.8Å; M96-F120 HydrophobicContact CE-CB 3.63Å; M96-F120 HydrophobicContact CE-CD1 3.91Å; M96-F120 HydrophobicContact CE-CG 3.84Å; M96-I124 HydrophobicContact SD-CD1 3.9Å; M96-I124 HydrophobicContact SD-CG1 3.91Å
97P95.3Very high94.3Very high61 Ų6158.3 Ų58.340%0.39629%0.293SS..THydrogen-bonded Turntrans-59.4-32.8173-27.836.7000113.4D93 C99 R100 V101D93-P97 WeakPolarHBondContact O-CD 3.35Å; D93-P97 WeakPolarHBondContact O-CG 3.49Å; P97-C99 VanDerWaalsContact C-N 3.31Å; P97-R100 WeakPolarHBondContact O-CA 3.47Å; P97-R100 PolarHBondContact O-N 3.34Å; P97-V101 WeakPolarHBondContact CA-O 3.48Å; P97-V101 VanDerWaalsContact N-O 3.16Å
98I94.3Very high94.5Very high79 Ų7957.7 Ų57.741%0.40529%0.288SS..THydrogen-bonded Turntrans-66.4-38.1174.9-50.5-178.9000110.2Y57 F95 M96 R100 F127Y57-I98 WeakPolarHBondContact OH-CD1 3.39Å; F95-I98 VanDerWaalsContact O-CB 3.25Å; F95-I98 WeakPolarHBondContact O-CB 3.49Å; F95-I98 PolarHBondContact O-N 2.93Å; M96-I98 PolarHBondContact O-N 3.09Å; I98-R100 PolarHBondContact O-N 3.35Å; I98-F127 HydrophobicContact CG2-CD2 3.98Å; I98-F127 HydrophobicContact CG2-CE2 3.43Å; I98-F127 VanDerWaalsContact CG2-CE2 3.43Å; I98-F127 HydrophobicContact CG2-CZ 3.93Å
99C95.1Very high94.4Very high3 Ų357.7 Ų57.72%0.0229%0.288CS..THydrogen-bonded Turntrans-74.47.2172.1-59.60000113.8F6 F95 M96 P97 V101 F127F6-C99 WeakPolarHBondContact CE1-O 3.47Å; F95-C99 WeakPolarHBondContact CE2-SG 3.47Å; F95-C99 WeakPolarHBondContact CZ-SG 3.24Å; F95-C99 PolarHBondContact O-N 2.96Å; M96-C99 CarbonylContact O-C 3.6Å; M96-C99 WeakPolarHBondContact O-CA 3.42Å; M96-C99 WeakPolarHBondContact O-CB 3.41Å; M96-C99 PolarHBondContact O-N 3.39Å; P97-C99 VanDerWaalsContact C-N 3.31Å; C99-V101 VanDerWaalsContact C-N 3.29Å; C99-V101 PolarHBondContact O-N 2.89Å; C99-F127 HydrophobicContact CB-CB 4.38Å
100R93.4Very high94.3Very high180 Ų18059.9 Ų59.968%0.67930%0.302SS*.THydrogen-bonded Turntrans63.329.7-176.7-54.6-63.6-168.8154.81.7114.2F6 M96 P97 I98F6-R100 HydrophobicContact CD1-CB 4.03Å; F6-R100 HydrophobicContact CE1-CB 4.03Å; M96-R100 PolarHBondContact O-N 3.49Å; P97-R100 WeakPolarHBondContact O-CA 3.47Å; P97-R100 PolarHBondContact O-N 3.34Å; I98-R100 PolarHBondContact O-N 3.35Å
101V93.8Very high94.4Very high6 Ų658.3 Ų58.34%0.03630%0.3CS..  trans-114.2116171.5176.80000108.7F6 M96 P97 C99 F104 F120F6-V101 HydrophobicContact CE1-CG2 4.13Å; F6-V101 HydrophobicContact CZ-CG2 3.89Å; M96-V101 CarbonylContact C-O 3.44Å; M96-V101 HydrophobicContact CB-CB 4.28Å; M96-V101 HydrophobicContact CE-CB 3.68Å; M96-V101 HydrophobicContact CE-CG1 3.63Å; M96-V101 HydrophobicContact CE-CG2 3.88Å; M96-V101 PolarHBondContact O-N 2.99Å; P97-V101 WeakPolarHBondContact CA-O 3.48Å; P97-V101 VanDerWaalsContact N-O 3.16Å; C99-V101 VanDerWaalsContact C-N 3.29Å; C99-V101 PolarHBondContact O-N 2.89Å; V101-F104 HydrophobicContact CG1-CB 4.25Å; V101-F120 HydrophobicContact CB-CD1 4.37Å; V101-F120 HydrophobicContact CG1-CD1 3.37Å; V101-F120 HydrophobicContact CG1-CE1 3.3Å; V101-F120 HydrophobicContact CG1-CG 4.48Å; V101-F120 HydrophobicContact CG1-CZ 4.39Å; V101-F120 HydrophobicContact CG2-CD1 4.14Å
102N93.2Very high94.4Very high133 Ų13355.4 Ų55.471%0.71129%0.289SS*.  trans-111.5-4.7-174.3-56.7-46.7000113.8
103D94Very high94.3Very high62 Ų6263.2 Ų63.233%0.33232%0.319SS..  trans-115.433.8-176.170.2-35.8000111.9R116 R119D103-R116 PolarHBondContact O-NH2 3.38Å; D103-R116 IonicContact OD2-NH1 3.47Å; D103-R116 PolarHBondContact OD2-NH1 3.47Å; D103-R119 IonicContact OD1-CZ 2.6Å; D103-R119 IonicContact OD1-NH1 2.68Å; D103-R119 IonicContact OD1-NH2 2.93Å; D103-R119 PolarHBondContact OD1-NH2 3.42Å; D103-R119 IonicContact OD2-CZ 2.86Å; D103-R119 VanDerWaalsContact OD2-CZ 3.3Å; D103-R119 IonicContact OD2-NH1 3.37Å; D103-R119 PolarHBondContact OD2-NH1 3.39Å; D103-R119 VanDerWaalsContact OD2-NH1 3.09Å; D103-R119 IonicContact OD2-NH2 2.98Å; D103-R119 PolarHBondContact OD2-NH2 3.32Å
104F95.3Very high94.3Very high10 Ų1060.3 Ų60.34%0.04430%0.304CS..  trans-83.6127.2174.6-176.8-98.2000109.6Y49 F89 M92 M96 V101 D108 I109 F120Y49-F104 HydrophobicContact CE2-CE2 4.36Å; Y49-F104 HydrophobicContact CE2-CZ 4.4Å; F89-F104 HydrophobicContact CD2-CD1 4.46Å; F89-F104 HydrophobicContact CD2-CE1 4.04Å; F89-F104 HydrophobicContact CE2-CD1 4.24Å; F89-F104 HydrophobicContact CE2-CE1 4.27Å; M92-F104 HydrophobicContact CB-CD1 4.29Å; M92-F104 HydrophobicContact CB-CE1 3.54Å; M92-F104 HydrophobicContact CB-CZ 4Å; M92-F104 HydrophobicContact CE-CE2 4.3Å; M92-F104 HydrophobicContact CE-CZ 4.04Å; M92-F104 HydrophobicContact CG-CE1 4.41Å; M92-F104 HydrophobicContact CG-CZ 4.41Å; M96-F104 HydrophobicContact CB-CB 4.08Å; M96-F104 HydrophobicContact CB-CG 4.38Å; M96-F104 HydrophobicContact CE-CB 4.44Å; M96-F104 HydrophobicContact CE-CD2 3.9Å; M96-F104 HydrophobicContact CE-CE2 4.49Å; M96-F104 HydrophobicContact CE-CG 4.34Å; M96-F104 HydrophobicContact CG-CB 4.04Å; M96-F104 HydrophobicContact CG-CD1 4.03Å; M96-F104 HydrophobicContact CG-CD2 4.13Å; M96-F104 HydrophobicContact CG-CG 3.8Å; V101-F104 HydrophobicContact CG1-CB 4.25Å; F104-D108 HydrophobicContact CD2-CB 4.18Å; F104-D108 HydrophobicContact CE2-CB 3.99Å; F104-I109 HydrophobicContact CE1-CD1 3.92Å; F104-I109 HydrophobicContact CE1-CG1 4.13Å; F104-I109 HydrophobicContact CE2-CG1 4.49Å; F104-I109 HydrophobicContact CZ-CD1 3.79Å; F104-I109 HydrophobicContact CZ-CG1 3.56Å; F104-F120 AromaticContact CD2-CD2 3.79Å; F104-F120 HydrophobicContact CD2-CD2 3.79Å; F104-F120 AromaticContact CD2-CE2 3.76Å; F104-F120 HydrophobicContact CD2-CE2 3.76Å; F104-F120 HydrophobicContact CD2-CG 4.26Å; F104-F120 HydrophobicContact CD2-CZ 4.15Å; F104-F120 HydrophobicContact CE2-CD2 4.13Å; F104-F120 HydrophobicContact CE2-CE2 4.35Å
105E95.2Very high94.1Very high109 Ų10963.5 Ų63.551%0.50932%0.315SS..  trans-126.9163.2-176.5-66.8-179.7176.400111.1V107 D108E105-V107 HydrophobicContact CB-CG2 3.82Å; E105-V107 PolarHBondContact O-N 2.97Å; E105-V107 VanDerWaalsContact O-N 3.13Å; E105-D108 PolarHBondContact N-OD2 3.19Å; E105-D108 VanDerWaalsContact O-CB 3.29Å; E105-D108 WeakPolarHBondContact O-CB 3.49Å; E105-D108 PolarHBondContact O-N 3.44Å
106I93.2Very high94Very high76 Ų7666.4 Ų66.439%0.3933%0.326SS..THydrogen-bonded Turntrans-59.3-28.9178.6-164.6168.5000112.6F89 D108 I109 L110F89-I106 HydrophobicContact CB-CG1 4.5Å; F89-I106 HydrophobicContact CD2-CB 3.94Å; F89-I106 HydrophobicContact CD2-CG1 4.27Å; F89-I106 HydrophobicContact CE2-CB 4.01Å; F89-I106 VanDerWaalsContact CE2-N 3.27Å; F89-I106 HydrophobicContact CG-CB 4.22Å; F89-I106 HydrophobicContact CG-CD1 4.47Å; F89-I106 HydrophobicContact CG-CG1 4.18Å; F89-I106 HydrophobicContact CZ-CB 4.32Å; I106-D108 PolarHBondContact O-N 3.03Å; I106-I109 PolarHBondContact O-N 3.4Å; I106-I109 VanDerWaalsContact O-N 3.14Å; I106-L110 HydrophobicContact CG1-CD1 4.16Å; I106-L110 HydrophobicContact CG1-CG 4.47Å; I106-L110 PolarHBondContact O-N 3.02Å; I106-L110 VanDerWaalsContact O-N 3.11Å
107V94.1Very high93.9Very high73 Ų7366.4 Ų66.444%0.44233%0.326SS..Hα-helixtrans-64.9-23175.6-630000112.7E105 I109 N111E105-V107 HydrophobicContact CB-CG2 3.82Å; E105-V107 PolarHBondContact O-N 2.97Å; E105-V107 VanDerWaalsContact O-N 3.13Å; V107-I109 VanDerWaalsContact C-N 3.26Å; V107-I109 PolarHBondContact O-N 2.97Å; V107-N111 CarbonylContact O-C 3.59Å; V107-N111 VanDerWaalsContact O-C 3.24Å; V107-N111 WeakPolarHBondContact O-CA 3.04Å; V107-N111 PolarHBondContact O-N 3.16Å
108D94.4Very high93.9Very high3 Ų364.5 Ų64.52%0.01631%0.314CS..Hα-helixtrans-75.9-18177.2-63-55.3000113F104 E105 I106 R116 F120F104-D108 HydrophobicContact CD2-CB 4.18Å; F104-D108 HydrophobicContact CE2-CB 3.99Å; E105-D108 PolarHBondContact N-OD2 3.19Å; E105-D108 VanDerWaalsContact O-CB 3.29Å; E105-D108 WeakPolarHBondContact O-CB 3.49Å; E105-D108 PolarHBondContact O-N 3.44Å; I106-D108 PolarHBondContact O-N 3.03Å; D108-R116 VanDerWaalsContact CG-NH2 3.34Å; D108-R116 IonicContact OD1-CZ 3.96Å; D108-R116 IonicContact OD1-NE 3.59Å; D108-R116 PolarHBondContact OD1-NE 3.22Å; D108-R116 IonicContact OD1-NH2 3.72Å; D108-R116 PolarHBondContact OD1-NH2 3.02Å; D108-R116 IonicContact OD2-CZ 3.8Å; D108-R116 IonicContact OD2-NE 3.09Å; D108-R116 IonicContact OD2-NH2 2.7Å; D108-R116 PolarHBondContact OD2-NH2 2.86Å; D108-F120 HydrophobicContact CB-CD2 4.49Å; D108-F120 HydrophobicContact CB-CE2 3.82Å; D108-F120 VanDerWaalsContact CG-CE2 3.47Å
109I93Very high93.9Very high0 Ų062.5 Ų62.50%030%0.302CS..Hα-helixtrans-88.8-45.3171.3-63.2177.6000109.8Y46 V85 L88 F89 F104 I106 V107Y46-I109 HydrophobicContact CD2-CG2 4.09Å; Y46-I109 HydrophobicContact CE1-CG2 3.97Å; Y46-I109 HydrophobicContact CE2-CG2 3.35Å; Y46-I109 WeakPolarHBondContact OH-CG2 3.42Å; V85-I109 HydrophobicContact CG1-CG2 4.29Å; L88-I109 HydrophobicContact CD2-CG2 4.39Å; L88-I109 HydrophobicContact CG-CD1 4.34Å; F89-I109 HydrophobicContact CB-CD1 3.81Å; F89-I109 HydrophobicContact CD2-CD1 3.99Å; F89-I109 HydrophobicContact CG-CD1 4.41Å; F104-I109 HydrophobicContact CE1-CD1 3.92Å; F104-I109 HydrophobicContact CE1-CG1 4.13Å; F104-I109 HydrophobicContact CE2-CG1 4.49Å; F104-I109 HydrophobicContact CZ-CD1 3.79Å; F104-I109 HydrophobicContact CZ-CG1 3.56Å; I106-I109 PolarHBondContact O-N 3.4Å; I106-I109 VanDerWaalsContact O-N 3.14Å; V107-I109 VanDerWaalsContact C-N 3.26Å; V107-I109 PolarHBondContact O-N 2.97Å
110L92Very high93.9Very high97 Ų9762.4 Ų62.451%0.50830%0.301SS..Hα-helixtrans-76.9-40.4-174.6-67175.8000113.4V85 I106V85-L110 HydrophobicContact CG1-CD2 3.89Å; I106-L110 HydrophobicContact CG1-CD1 4.16Å; I106-L110 HydrophobicContact CG1-CG 4.47Å; I106-L110 PolarHBondContact O-N 3.02Å; I106-L110 VanDerWaalsContact O-N 3.11Å
111N93.5Very high94.1Very high109 Ų10953.9 Ų53.958%0.58327%0.269SS*.SBendtrans-135.968.1-177.1-170.917.9000110.8V107V107-N111 CarbonylContact O-C 3.59Å; V107-N111 VanDerWaalsContact O-C 3.24Å; V107-N111 WeakPolarHBondContact O-CA 3.04Å; V107-N111 PolarHBondContact O-N 3.16Å
112P94.3Very high94.2Very high4 Ų453.6 Ų53.63%0.02627%0.267CS..  trans-62.8139.7-174.127.2-37000112.4P40 L45P40-P112 HydrophobicContact CB-CB 4.09Å; P40-P112 HydrophobicContact CB-CG 4.13Å; P40-P112 HydrophobicContact CG-CB 4.19Å; P40-P112 VanDerWaalsContact O-CG 3.3Å; P40-P112 WeakPolarHBondContact O-CG 3.35Å; L45-P112 HydrophobicContact CD1-CB 3.36Å; L45-P112 HydrophobicContact CD1-CG 3.79Å
113R94.5Very high94.3Very high164 Ų16447.3 Ų47.362%0.61923%0.234SC*.  trans-113.7130.2174.5-61.6-176-175.1-179.82.5110.2N115 R116 T117R113-N115 VanDerWaalsContact C-N 3.34Å; R113-N115 PolarHBondContact O-N 2.94Å; R113-N115 VanDerWaalsContact O-N 3.11Å; R113-R116 PolarHBondContact O-N 3.03Å; R113-T117 PolarHBondContact O-N 3.24Å; R113-T117 PolarHBondContact O-OG1 3.4Å
114T93.3Very high94.4Very high22 Ų2244.3 Ų44.314%0.13522%0.218CC..Hα-helixtrans-44.2-50.8-174.6-60.60000114.5F36 L37 P38 P40 R116 S118F36-T114 PolarHBondContact O-OG1 3.49Å; F36-T114 VanDerWaalsContact O-OG1 3.1Å; L37-T114 HydrophobicContact CD2-CG2 3.46Å; L37-T114 VanDerWaalsContact CD2-CG2 3.46Å; P38-T114 PolarHBondContact O-OG1 3.3Å; P40-T114 WeakPolarHBondContact CD-OG1 3.42Å; T114-R116 PolarHBondContact O-N 3.35Å; T114-S118 VanDerWaalsContact O-CB 3.24Å; T114-S118 WeakPolarHBondContact O-CB 3.38Å; T114-S118 PolarHBondContact O-N 3.25Å
115N91.9Very high94.4Very high142 Ų14244 Ų4476%0.75922%0.217SC*.Hα-helixtrans-65.5-38.8-177.8-69.1-16.9000112.7R113 R119R113-N115 VanDerWaalsContact C-N 3.34Å; R113-N115 PolarHBondContact O-N 2.94Å; R113-N115 VanDerWaalsContact O-N 3.11Å; N115-R119 PolarHBondContact O-N 3.33Å
116R93.7Very high94.4Very high60 Ų6040.3 Ų40.323%0.22620%0.2CC..Hα-helixtrans-72.3-49.3179-71179.561.179.5-4.6110.4D103 D108 R113 T114 S118 R119 F120D103-R116 PolarHBondContact O-NH2 3.38Å; D103-R116 IonicContact OD2-NH1 3.47Å; D103-R116 PolarHBondContact OD2-NH1 3.47Å; D108-R116 VanDerWaalsContact CG-NH2 3.34Å; D108-R116 IonicContact OD1-CZ 3.96Å; D108-R116 IonicContact OD1-NE 3.59Å; D108-R116 PolarHBondContact OD1-NE 3.22Å; D108-R116 IonicContact OD1-NH2 3.72Å; D108-R116 PolarHBondContact OD1-NH2 3.02Å; D108-R116 IonicContact OD2-CZ 3.8Å; D108-R116 IonicContact OD2-NE 3.09Å; D108-R116 IonicContact OD2-NH2 2.7Å; D108-R116 PolarHBondContact OD2-NH2 2.86Å; R113-R116 PolarHBondContact O-N 3.03Å; T114-R116 PolarHBondContact O-N 3.35Å; R116-S118 VanDerWaalsContact C-N 3.32Å; R116-S118 PolarHBondContact O-N 2.7Å; R116-R119 WeakPolarHBondContact O-CB 3.49Å; R116-R119 PolarHBondContact O-N 2.91Å; R116-R119 VanDerWaalsContact O-N 3.14Å; R116-F120 HydrophobicContact CB-CD2 4.5Å; R116-F120 HydrophobicContact CB-CE2 3.93Å; R116-F120 HydrophobicContact CB-CZ 4.26Å; R116-F120 VanDerWaalsContact O-CD2 3.27Å; R116-F120 WeakPolarHBondContact O-CD2 3.48Å; R116-F120 WeakPolarHBondContact O-CG 3.32Å; R116-F120 PolarHBondContact O-N 3.18Å
117T94.7Very high94.6Very high1 Ų138.3 Ų38.31%0.00619%0.189CC..Hα-helixtrans-56.3-44.7176.4-58.90000111.7P40 L45 R113 R119 F120 L121P40-T117 HydrophobicContact CB-CG2 4.25Å; P40-T117 HydrophobicContact CG-CG2 3.91Å; L45-T117 HydrophobicContact CD1-CG2 3.66Å; L45-T117 HydrophobicContact CD2-CG2 3.47Å; L45-T117 VanDerWaalsContact CD2-CG2 3.47Å; L45-T117 HydrophobicContact CG-CG2 4.21Å; R113-T117 PolarHBondContact O-N 3.24Å; R113-T117 PolarHBondContact O-OG1 3.4Å; T117-R119 PolarHBondContact O-N 3.15Å; T117-F120 PolarHBondContact O-N 3.01Å; T117-L121 HydrophobicContact CG2-CD1 3.73Å; T117-L121 HydrophobicContact CG2-CG 4.23Å; T117-L121 WeakPolarHBondContact O-CB 3.34Å; T117-L121 VanDerWaalsContact O-CG 3.32Å; T117-L121 WeakPolarHBondContact O-CG 3.37Å; T117-L121 PolarHBondContact O-N 2.91Å
118S94.7Very high94.6Very high22 Ų2234.9 Ų34.915%0.15417%0.168CC..Hα-helixtrans-59.7-44.41771700000112.3Y9 T114 R116 F120 S122Y9-S118 PolarHBondContact O-OG 3.49Å; Y9-S118 VanDerWaalsContact O-OG 3.12Å; T114-S118 VanDerWaalsContact O-CB 3.24Å; T114-S118 WeakPolarHBondContact O-CB 3.38Å; T114-S118 PolarHBondContact O-N 3.25Å; R116-S118 VanDerWaalsContact C-N 3.32Å; R116-S118 PolarHBondContact O-N 2.7Å; S118-F120 PolarHBondContact O-N 2.9Å; S118-S122 WeakPolarHBondContact O-CB 3.21Å; S118-S122 PolarHBondContact O-N 3.13Å; S118-S122 PolarHBondContact O-OG 3.37Å
119R94.7Very high94.6Very high37 Ų3737.2 Ų37.214%0.1418%0.178CC..Hα-helixtrans-61.6-42.9175-177.1-176.963.9166.51.5111.8F6 D103 N115 R116 T117 S122 G123F6-R119 WeakPolarHBondContact CE2-O 3.42Å; F6-R119 HydrophobicContact CZ-CG 4.41Å; D103-R119 IonicContact OD1-CZ 2.6Å; D103-R119 IonicContact OD1-NH1 2.68Å; D103-R119 IonicContact OD1-NH2 2.93Å; D103-R119 PolarHBondContact OD1-NH2 3.42Å; D103-R119 IonicContact OD2-CZ 2.86Å; D103-R119 VanDerWaalsContact OD2-CZ 3.3Å; D103-R119 IonicContact OD2-NH1 3.37Å; D103-R119 PolarHBondContact OD2-NH1 3.39Å; D103-R119 VanDerWaalsContact OD2-NH1 3.09Å; D103-R119 IonicContact OD2-NH2 2.98Å; D103-R119 PolarHBondContact OD2-NH2 3.32Å; N115-R119 PolarHBondContact O-N 3.33Å; R116-R119 WeakPolarHBondContact O-CB 3.49Å; R116-R119 PolarHBondContact O-N 2.91Å; R116-R119 VanDerWaalsContact O-N 3.14Å; T117-R119 PolarHBondContact O-N 3.15Å; R119-S122 WeakPolarHBondContact O-CB 3.23Å; R119-S122 PolarHBondContact O-N 2.99Å; R119-G123 PolarHBondContact O-N 3.25Å
120F95.6Very high94.6Very high0 Ų043.5 Ų43.50%021%0.206CC..Hα-helixtrans-67-47.9-179.5-61.2-25.6000112.7M96 V101 F104 D108 R116 T117 S118 S122 G123 I124M96-F120 HydrophobicContact CE-CB 3.63Å; M96-F120 HydrophobicContact CE-CD1 3.91Å; M96-F120 HydrophobicContact CE-CG 3.84Å; V101-F120 HydrophobicContact CB-CD1 4.37Å; V101-F120 HydrophobicContact CG1-CD1 3.37Å; V101-F120 HydrophobicContact CG1-CE1 3.3Å; V101-F120 HydrophobicContact CG1-CG 4.48Å; V101-F120 HydrophobicContact CG1-CZ 4.39Å; V101-F120 HydrophobicContact CG2-CD1 4.14Å; F104-F120 AromaticContact CD2-CD2 3.79Å; F104-F120 HydrophobicContact CD2-CD2 3.79Å; F104-F120 AromaticContact CD2-CE2 3.76Å; F104-F120 HydrophobicContact CD2-CE2 3.76Å; F104-F120 HydrophobicContact CD2-CG 4.26Å; F104-F120 HydrophobicContact CD2-CZ 4.15Å; F104-F120 HydrophobicContact CE2-CD2 4.13Å; F104-F120 HydrophobicContact CE2-CE2 4.35Å; D108-F120 HydrophobicContact CB-CD2 4.49Å; D108-F120 HydrophobicContact CB-CE2 3.82Å; D108-F120 VanDerWaalsContact CG-CE2 3.47Å; R116-F120 HydrophobicContact CB-CD2 4.5Å; R116-F120 HydrophobicContact CB-CE2 3.93Å; R116-F120 HydrophobicContact CB-CZ 4.26Å; R116-F120 VanDerWaalsContact O-CD2 3.27Å; R116-F120 WeakPolarHBondContact O-CD2 3.48Å; R116-F120 WeakPolarHBondContact O-CG 3.32Å; R116-F120 PolarHBondContact O-N 3.18Å; T117-F120 PolarHBondContact O-N 3.01Å; S118-F120 PolarHBondContact O-N 2.9Å; F120-S122 PolarHBondContact O-N 3.14Å; F120-G123 PolarHBondContact O-N 3.24Å; F120-G123 VanDerWaalsContact O-N 3.1Å; F120-I124 WeakPolarHBondContact O-CG1 3.4Å; F120-I124 PolarHBondContact O-N 3.4Å
121L96.4Very high94.7Very high1 Ų142 Ų421%0.00519%0.194CC..Hα-helixtrans-62.3-36.2175.8-66.5173.2000111.1L14 I18 F36 L45 I48 Y49 T117 G123 I124 I125L14-L121 HydrophobicContact CD1-CB 4.26Å; L14-L121 HydrophobicContact CD1-CD1 4.41Å; L14-L121 HydrophobicContact CD2-CB 3.76Å; I18-L121 HydrophobicContact CD1-CD1 4.06Å; I18-L121 HydrophobicContact CD1-CD2 4.47Å; F36-L121 HydrophobicContact CD1-CD1 4.27Å; F36-L121 HydrophobicContact CE1-CD1 3.57Å; F36-L121 HydrophobicContact CZ-CD1 4.36Å; L45-L121 HydrophobicContact CD2-CD1 4.1Å; I48-L121 HydrophobicContact CG2-CD2 3.64Å; Y49-L121 HydrophobicContact CD1-CD2 4.45Å; Y49-L121 HydrophobicContact CE1-CD2 3.82Å; T117-L121 HydrophobicContact CG2-CD1 3.73Å; T117-L121 HydrophobicContact CG2-CG 4.23Å; T117-L121 WeakPolarHBondContact O-CB 3.34Å; T117-L121 VanDerWaalsContact O-CG 3.32Å; T117-L121 WeakPolarHBondContact O-CG 3.37Å; T117-L121 PolarHBondContact O-N 2.91Å; L121-G123 PolarHBondContact O-N 3.39Å; L121-I124 HydrophobicContact CD2-CD1 4.43Å; L121-I124 PolarHBondContact O-N 3.24Å; L121-I125 WeakPolarHBondContact O-CB 3.38Å; L121-I125 WeakPolarHBondContact O-CD1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.28Å; L121-I125 PolarHBondContact O-N 2.94Å
122S96.2Very high94.7Very high0 Ų040 Ų400%018%0.181CC..Hα-helixtrans-61-43.7172.7-590000112.3Y9 S118 R119 F120 I125 N126Y9-S122 PolarHBondContact N-OG 3.29Å; S118-S122 WeakPolarHBondContact O-CB 3.21Å; S118-S122 PolarHBondContact O-N 3.13Å; S118-S122 PolarHBondContact O-OG 3.37Å; R119-S122 WeakPolarHBondContact O-CB 3.23Å; R119-S122 PolarHBondContact O-N 2.99Å; F120-S122 PolarHBondContact O-N 3.14Å; S122-I125 PolarHBondContact O-N 3.4Å; S122-N126 WeakPolarHBondContact O-CB 3.46Å; S122-N126 PolarHBondContact O-N 3.33Å; S122-N126 PolarHBondContact O-ND2 2.85Å
123G95.2Very high94.6Very high1 Ų143 Ų431%0.0120%0.199CC..Hα-helixtrans-60.3-47175.200000112.3R119 F120 L121 N126 F127R119-G123 PolarHBondContact O-N 3.25Å; F120-G123 PolarHBondContact O-N 3.24Å; F120-G123 VanDerWaalsContact O-N 3.1Å; L121-G123 PolarHBondContact O-N 3.39Å; G123-N126 PolarHBondContact O-N 3.04Å; G123-F127 WeakPolarHBondContact O-CB 3.42Å; G123-F127 PolarHBondContact O-N 3.39Å
124I96.5Very high94.6Very high0 Ų037.6 Ų37.60%019%0.186CC..Hα-helixtrans-61.1-48.1178.8-65.6166.8000111.1Y49 A52 M92 F95 M96 F120 L121 N126 F127 I128Y49-I124 HydrophobicContact CD1-CD1 3.82Å; Y49-I124 HydrophobicContact CE1-CD1 3.66Å; A52-I124 HydrophobicContact CB-CG2 3.92Å; M92-I124 HydrophobicContact CE-CD1 4Å; F95-I124 HydrophobicContact CE1-CG1 4.02Å; F95-I124 HydrophobicContact CE1-CG2 4.14Å; F95-I124 HydrophobicContact CZ-CG2 4.4Å; M96-I124 HydrophobicContact SD-CD1 3.9Å; M96-I124 HydrophobicContact SD-CG1 3.91Å; F120-I124 WeakPolarHBondContact O-CG1 3.4Å; F120-I124 PolarHBondContact O-N 3.4Å; L121-I124 HydrophobicContact CD2-CD1 4.43Å; L121-I124 PolarHBondContact O-N 3.24Å; I124-N126 PolarHBondContact O-N 2.94Å; I124-F127 PolarHBondContact O-N 3.2Å; I124-I128 HydrophobicContact CG2-CD1 3.8Å; I124-I128 HydrophobicContact CG2-CG1 4.5Å; I124-I128 VanDerWaalsContact O-CG1 3.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.48Å; I124-I128 PolarHBondContact O-N 2.96Å
125I96Very high94.6Very high4 Ų440.7 Ų40.72%0.02120%0.201CC..Hα-helixtrans-63.8-43.9-179.2-70.8160.3000110.8Y9 L14 H17 I18 L121 S122 F127 I128 H129Y9-I125 HydrophobicContact CD2-CB 4.41Å; Y9-I125 HydrophobicContact CD2-CD1 4.48Å; Y9-I125 HydrophobicContact CD2-CG2 4.2Å; Y9-I125 HydrophobicContact CE2-CB 4.06Å; Y9-I125 HydrophobicContact CE2-CG2 3.58Å; L14-I125 HydrophobicContact CD2-CD1 3.41Å; L14-I125 VanDerWaalsContact CD2-CD1 3.41Å; H17-I125 HydrophobicContact CB-CD1 3.74Å; H17-I125 HydrophobicContact CB-CG1 4.17Å; H17-I125 HydrophobicContact CB-CG2 3.79Å; I18-I125 HydrophobicContact CG1-CD1 4.14Å; L121-I125 WeakPolarHBondContact O-CB 3.38Å; L121-I125 WeakPolarHBondContact O-CD1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.28Å; L121-I125 PolarHBondContact O-N 2.94Å; S122-I125 PolarHBondContact O-N 3.4Å; I125-F127 VanDerWaalsContact C-N 3.31Å; I125-F127 PolarHBondContact O-N 2.96Å; I125-I128 PolarHBondContact O-N 3.37Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.46Å; I125-H129 WeakPolarHBondContact CG2-ND1 3.19Å; I125-H129 PolarHBondContact O-N 3.38Å; I125-H129 PolarHBondContact O-ND1 3.03Å
126N95.2Very high94.7Very high30 Ų3040.5 Ų40.516%0.1620%0.196CC..Hα-helixtrans-62.3-39.7176.2-78.2-60.1000111.8F6 P7 Y9 S122 G123 I124 H129 F130F6-N126 HydrophobicContact CB-CB 4.21Å; P7-N126 PolarHBondContact O-ND2 2.84Å; Y9-N126 PolarHBondContact OH-OD1 2.84Å; S122-N126 WeakPolarHBondContact O-CB 3.46Å; S122-N126 PolarHBondContact O-N 3.33Å; S122-N126 PolarHBondContact O-ND2 2.85Å; G123-N126 PolarHBondContact O-N 3.04Å; I124-N126 PolarHBondContact O-N 2.94Å; N126-H129 PolarHBondContact O-N 2.96Å; N126-F130 WeakPolarHBondContact O-CB 3.39Å; N126-F130 PolarHBondContact O-N 2.92Å
127F95.6Very high94.6Very high35 Ų3543.3 Ų43.315%0.15421%0.209CC..Hα-helixtrans-63.1-41.8174.3174.2-97.3000112.1V56 F95 I98 C99 G123 I124 I125 F130 R131V56-F127 HydrophobicContact CG1-CE1 3.76Å; V56-F127 HydrophobicContact CG1-CZ 4.31Å; V56-F127 HydrophobicContact CG2-CD1 4.31Å; V56-F127 HydrophobicContact CG2-CE1 3.85Å; F95-F127 AromaticContact CE2-CD1 3.64Å; F95-F127 HydrophobicContact CE2-CD1 3.64Å; F95-F127 AromaticContact CE2-CE1 3.61Å; F95-F127 HydrophobicContact CE2-CE1 3.61Å; F95-F127 HydrophobicContact CE2-CG 4.44Å; F95-F127 HydrophobicContact CE2-CZ 4.39Å; F95-F127 AromaticContact CZ-CD1 3.81Å; F95-F127 HydrophobicContact CZ-CD1 3.81Å; F95-F127 HydrophobicContact CZ-CE1 4.15Å; I98-F127 HydrophobicContact CG2-CD2 3.98Å; I98-F127 HydrophobicContact CG2-CE2 3.43Å; I98-F127 VanDerWaalsContact CG2-CE2 3.43Å; I98-F127 HydrophobicContact CG2-CZ 3.93Å; C99-F127 HydrophobicContact CB-CB 4.38Å; G123-F127 WeakPolarHBondContact O-CB 3.42Å; G123-F127 PolarHBondContact O-N 3.39Å; I124-F127 PolarHBondContact O-N 3.2Å; I125-F127 VanDerWaalsContact C-N 3.31Å; I125-F127 PolarHBondContact O-N 2.96Å; F127-F130 WeakPolarHBondContact O-CB 3.36Å; F127-F130 PolarHBondContact O-N 3.18Å; F127-R131 HydrophobicContact CE1-CB 4.43Å; F127-R131 WeakPolarHBondContact O-CB 3.48Å; F127-R131 PolarHBondContact O-N 2.9Å
128I95.1Very high94.5Very high1 Ų146.5 Ų46.51%0.00523%0.231CC..Hα-helixtrans-61.2-46.8177.2-69.9164.5000110.6K21 L22 L55 I124 I125 F130 R131 E132K21-I128 HydrophobicContact CB-CG2 4.49Å; L22-I128 HydrophobicContact CD1-CD1 4.3Å; L22-I128 HydrophobicContact CD2-CD1 3.59Å; L22-I128 HydrophobicContact CG-CD1 4.09Å; L55-I128 HydrophobicContact CD2-CD1 4.07Å; L55-I128 HydrophobicContact CD2-CG1 4.2Å; L55-I128 HydrophobicContact CD2-CG2 4.04Å; I124-I128 HydrophobicContact CG2-CD1 3.8Å; I124-I128 HydrophobicContact CG2-CG1 4.5Å; I124-I128 VanDerWaalsContact O-CG1 3.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.48Å; I124-I128 PolarHBondContact O-N 2.96Å; I125-I128 PolarHBondContact O-N 3.37Å; I128-F130 VanDerWaalsContact C-N 3.34Å; I128-F130 PolarHBondContact O-N 3.45Å; I128-R131 PolarHBondContact O-N 3.4Å; I128-E132 HydrophobicContact CG2-CG 4.4Å; I128-E132 WeakPolarHBondContact O-CG 3.43Å; I128-E132 PolarHBondContact O-N 3.33Å
129H93.8Very high94.5Very high51 Ų5152.2 Ų52.224%0.23626%0.255CS..Hα-helixtrans-59.4-45.4175.6-70.4105.7000111.7H17 I125 N126 R131 E132 T133H17-H129 AromaticContact CE1-CE1 3.69Å; H17-H129 AromaticContact CE1-NE2 3.92Å; H17-H129 AromaticContact ND1-CE1 3.44Å; H17-H129 PolarHBondContact ND1-CE1 3.45Å; H17-H129 AromaticContact ND1-NE2 3.72Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.46Å; I125-H129 WeakPolarHBondContact CG2-ND1 3.19Å; I125-H129 PolarHBondContact O-N 3.38Å; I125-H129 PolarHBondContact O-ND1 3.03Å; N126-H129 PolarHBondContact O-N 2.96Å; H129-R131 VanDerWaalsContact C-N 3.33Å; H129-R131 PolarHBondContact O-N 2.9Å; H129-E132 PolarHBondContact O-N 2.97Å; H129-T133 PolarHBondContact O-N 3.37Å; H129-T133 PolarHBondContact O-OG1 3.2Å; H129-T133 VanDerWaalsContact O-OG1 3.12Å
130F93.7Very high94.4Very high132 Ų13256.7 Ų56.758%0.57928%0.278SS*.Hα-helixtrans-58-46.5176.1171.3-103.3000111.7N126 F127 I128 T133 C134N126-F130 WeakPolarHBondContact O-CB 3.39Å; N126-F130 PolarHBondContact O-N 2.92Å; F127-F130 WeakPolarHBondContact O-CB 3.36Å; F127-F130 PolarHBondContact O-N 3.18Å; I128-F130 VanDerWaalsContact C-N 3.34Å; I128-F130 PolarHBondContact O-N 3.45Å; F130-T133 PolarHBondContact O-N 2.97Å; F130-C134 VanDerWaalsContact CZ-SG 3.55Å; F130-C134 WeakPolarHBondContact O-CB 3.38Å; F130-C134 PolarHBondContact O-N 3.36Å; F130-C134 PolarHBondContact O-SG 2.92Å; F130-C134 VanDerWaalsContact O-SG 3.38Å
131R93.9Very high94.3Very high67 Ų6763.1 Ų63.125%0.25331%0.306SS..Hα-helixtrans-62.1-45178.1177.5177.6171.7-107.612.2111.8L55 F127 I128 H129 C134 L135L55-R131 VanDerWaalsContact O-CZ 3.31Å; L55-R131 PolarHBondContact O-NH1 3.15Å; L55-R131 VanDerWaalsContact O-NH1 3.15Å; L55-R131 PolarHBondContact O-NH2 2.86Å; F127-R131 HydrophobicContact CE1-CB 4.43Å; F127-R131 WeakPolarHBondContact O-CB 3.48Å; F127-R131 PolarHBondContact O-N 2.9Å; I128-R131 PolarHBondContact O-N 3.4Å; H129-R131 VanDerWaalsContact C-N 3.33Å; H129-R131 PolarHBondContact O-N 2.9Å; R131-C134 PolarHBondContact O-N 2.87Å; R131-L135 HydrophobicContact CG-CD1 3.99Å; R131-L135 HydrophobicContact CG-CG 4.32Å; R131-L135 WeakPolarHBondContact O-CB 3.44Å; R131-L135 WeakPolarHBondContact O-CG 3.48Å; R131-L135 PolarHBondContact O-N 3.4Å
132E93.3Very high94.2Very high66 Ų6668.9 Ų68.931%0.30834%0.336SS..Hα-helixtrans-59.9-48.4177.3-74175.8157.400111.3K21 I128 H129 C134 L135 E136K21-E132 WeakPolarHBondContact CD-OE1 3.17Å; K21-E132 WeakPolarHBondContact CE-OE2 3.42Å; K21-E132 IonicContact NZ-OE1 3.3Å; K21-E132 PolarHBondContact NZ-OE1 2.96Å; K21-E132 IonicContact NZ-OE2 3.14Å; K21-E132 PolarHBondContact NZ-OE2 3.32Å; I128-E132 HydrophobicContact CG2-CG 4.4Å; I128-E132 WeakPolarHBondContact O-CG 3.43Å; I128-E132 PolarHBondContact O-N 3.33Å; H129-E132 PolarHBondContact O-N 2.97Å; E132-C134 VanDerWaalsContact C-N 3.27Å; E132-C134 PolarHBondContact O-N 2.91Å; E132-L135 PolarHBondContact O-N 3.09Å; E132-L135 VanDerWaalsContact O-N 3.15Å; E132-E136 WeakPolarHBondContact O-CB 3.5Å; E132-E136 PolarHBondContact O-N 2.95Å
133T93.4Very high94.2Very high67 Ų6774.8 Ų74.841%0.41137%0.367SS..Hα-helixtrans-61.4-35.9176.2-57.60000112.3H129 F130 K137H129-T133 PolarHBondContact O-N 3.37Å; H129-T133 PolarHBondContact O-OG1 3.2Å; H129-T133 VanDerWaalsContact O-OG1 3.12Å; F130-T133 PolarHBondContact O-N 2.97Å; T133-K137 WeakPolarHBondContact O-CG 3.28Å; T133-K137 PolarHBondContact O-N 3.06Å
134C93.1Very high94.2Very high50 Ų5080.1 Ų80.134%0.33839%0.392SS..Hα-helixtrans-68.1-42.8174-76.60000112.2F130 R131 E132 K137 C138F130-C134 VanDerWaalsContact CZ-SG 3.55Å; F130-C134 WeakPolarHBondContact O-CB 3.38Å; F130-C134 PolarHBondContact O-N 3.36Å; F130-C134 PolarHBondContact O-SG 2.92Å; F130-C134 VanDerWaalsContact O-SG 3.38Å; R131-C134 PolarHBondContact O-N 2.87Å; E132-C134 VanDerWaalsContact C-N 3.27Å; E132-C134 PolarHBondContact O-N 2.91Å; C134-K137 PolarHBondContact O-N 3.34Å; C134-C138 WeakPolarHBondContact O-CB 3.47Å; C134-C138 PolarHBondContact O-N 3.26Å; C134-C138 PolarHBondContact O-SG 3.23Å
135L93.1Very high94.1Very high88 Ų8884.5 Ų84.546%0.46142%0.415SS..Hα-helixtrans-65.2-43.2179.4-75.4174.1000111.9R131 E132 K137 C138 E139R131-L135 HydrophobicContact CG-CD1 3.99Å; R131-L135 HydrophobicContact CG-CG 4.32Å; R131-L135 WeakPolarHBondContact O-CB 3.44Å; R131-L135 WeakPolarHBondContact O-CG 3.48Å; R131-L135 PolarHBondContact O-N 3.4Å; E132-L135 PolarHBondContact O-N 3.09Å; E132-L135 VanDerWaalsContact O-N 3.15Å; L135-K137 VanDerWaalsContact C-N 3.35Å; L135-K137 PolarHBondContact O-N 2.88Å; L135-C138 CarbonylContact O-C 3.51Å; L135-C138 WeakPolarHBondContact O-CB 3.49Å; L135-C138 PolarHBondContact O-N 3.35Å; L135-C138 VanDerWaalsContact O-N 3.15Å; L135-E139 WeakPolarHBondContact O-CB 3.37Å; L135-E139 PolarHBondContact O-N 3.32Å
136E93.9Very high94.1Very high137 Ų13790.9 Ų90.964%0.6444%0.443SS*.Hα-helixtrans-57.7-47176-176.1177.9-164.500111.3E132 C138 E139 E140E132-E136 WeakPolarHBondContact O-CB 3.5Å; E132-E136 PolarHBondContact O-N 2.95Å; E136-C138 PolarHBondContact O-N 3Å; E136-E139 PolarHBondContact O-N 2.89Å; E136-E140 PolarHBondContact O-N 2.9Å
137K91.9Very high94.2Very high119 Ų11992.7 Ų92.752%0.51746%0.458SS..Hα-helixtrans-62.4-42.4174.5-71.4174.9-178.7178.50112.2T133 C134 L135 E139 E140 F141T133-K137 WeakPolarHBondContact O-CG 3.28Å; T133-K137 PolarHBondContact O-N 3.06Å; C134-K137 PolarHBondContact O-N 3.34Å; L135-K137 VanDerWaalsContact C-N 3.35Å; L135-K137 PolarHBondContact O-N 2.88Å; K137-E139 VanDerWaalsContact C-N 3.32Å; K137-E140 PolarHBondContact O-N 3.35Å; K137-F141 WeakPolarHBondContact O-CD2 3.48Å; K137-F141 PolarHBondContact O-N 2.9Å; K137-F141 VanDerWaalsContact O-N 3.13Å
138C93Very high94.2Very high69 Ų6994.1 Ų94.147%0.46647%0.472SS..Hα-helixtrans-62.9-40176.7-76.30000111.9C134 L135 E136 F141 L142C134-C138 WeakPolarHBondContact O-CB 3.47Å; C134-C138 PolarHBondContact O-N 3.26Å; C134-C138 PolarHBondContact O-SG 3.23Å; L135-C138 CarbonylContact O-C 3.51Å; L135-C138 WeakPolarHBondContact O-CB 3.49Å; L135-C138 PolarHBondContact O-N 3.35Å; L135-C138 VanDerWaalsContact O-N 3.15Å; E136-C138 PolarHBondContact O-N 3Å; C138-F141 PolarHBondContact O-N 3.23Å; C138-L142 WeakPolarHBondContact O-CB 3.39Å; C138-L142 VanDerWaalsContact O-CG 3.31Å; C138-L142 WeakPolarHBondContact O-CG 3.35Å; C138-L142 PolarHBondContact O-N 3.43Å
139E94.8Very high94.2Very high141 Ų14198.8 Ų98.866%0.65950%0.495SS*.Hα-helixtrans-64.5-42177.5-172.8170.4-162.800111.6L135 E136 K137 F141 L142 L143L135-E139 WeakPolarHBondContact O-CB 3.37Å; L135-E139 PolarHBondContact O-N 3.32Å; E136-E139 PolarHBondContact O-N 2.89Å; K137-E139 VanDerWaalsContact C-N 3.32Å; E139-F141 PolarHBondContact O-N 2.88Å; E139-L142 PolarHBondContact O-N 2.99Å; E139-L143 WeakPolarHBondContact O-CB 3.32Å; E139-L143 PolarHBondContact O-N 3.5Å
140E93.3Very high94.3Very high132 Ų13299.8 Ų99.862%0.61751%0.505SS*.Hα-helixtrans-56.5-48.5172.6-172.4-175.7179.800111.6E136 K137 L142 L143 Q144E136-E140 PolarHBondContact O-N 2.9Å; K137-E140 PolarHBondContact O-N 3.35Å; E140-L142 PolarHBondContact O-N 3.1Å; E140-L143 PolarHBondContact O-N 3.17Å; E140-Q144 WeakPolarHBondContact O-CB 3.42Å; E140-Q144 PolarHBondContact O-N 3.15Å
141F93Very high94.5Very high134 Ų134101.6 Ų101.659%0.58851%0.508SS*.Hα-helixtrans-64-39.1176.8-76.3-61000112.9K137 C138 E139 Q144 N145K137-F141 WeakPolarHBondContact O-CD2 3.48Å; K137-F141 PolarHBondContact O-N 2.9Å; K137-F141 VanDerWaalsContact O-N 3.13Å; C138-F141 PolarHBondContact O-N 3.23Å; E139-F141 PolarHBondContact O-N 2.88Å; F141-Q144 PolarHBondContact O-N 3.14Å; F141-N145 VanDerWaalsContact O-CB 3.3Å; F141-N145 WeakPolarHBondContact O-CB 3.43Å; F141-N145 PolarHBondContact O-N 2.98Å
142L94.4Very high94.6Very high122 Ų122104.6 Ų104.664%0.63953%0.526SS*.Hα-helixtrans-64.3-42.1176.8-75.9171.7000111.3C138 E139 E140 N145 K146C138-L142 WeakPolarHBondContact O-CB 3.39Å; C138-L142 VanDerWaalsContact O-CG 3.31Å; C138-L142 WeakPolarHBondContact O-CG 3.35Å; C138-L142 PolarHBondContact O-N 3.43Å; E139-L142 PolarHBondContact O-N 2.99Å; E140-L142 PolarHBondContact O-N 3.1Å; L142-N145 PolarHBondContact O-N 3.38Å; L142-K146 WeakPolarHBondContact O-CB 3.39Å; L142-K146 PolarHBondContact O-N 3.27Å
143L95.8Very high94.8Very high124 Ų124107.7 Ų107.765%0.64954%0.541SS*.Hα-helixtrans-65.5-44.5177.2-174.363.1000111.6E139 E140 N145 K146 S147E139-L143 WeakPolarHBondContact O-CB 3.32Å; E139-L143 PolarHBondContact O-N 3.5Å; E140-L143 PolarHBondContact O-N 3.17Å; L143-N145 VanDerWaalsContact C-N 3.34Å; L143-N145 PolarHBondContact O-N 3.05Å; L143-K146 PolarHBondContact O-N 3.29Å; L143-S147 PolarHBondContact O-N 3.42Å; L143-S147 PolarHBondContact O-OG 2.92Å
144Q96Very high94.9Very high114 Ų114110.2 Ų110.253%0.53355%0.548SS..Hα-helixtrans-62.4-40.5175.8-172.7-176.521.700112.2E140 F141 S147 S148E140-Q144 WeakPolarHBondContact O-CB 3.42Å; E140-Q144 PolarHBondContact O-N 3.15Å; F141-Q144 PolarHBondContact O-N 3.14Å; Q144-S147 PolarHBondContact O-OG 3.4Å; Q144-S148 WeakPolarHBondContact O-CB 3.37Å; Q144-S148 PolarHBondContact O-N 2.78Å; Q144-S148 PolarHBondContact O-OG 2.95Å
145N94.6Very high95.1Very high92 Ų92112.9 Ų112.949%0.49256%0.558SS.*Hα-helixtrans-66.1-43.3176.7-174.254000111F141 L142 L143 S147 S148 M149F141-N145 VanDerWaalsContact O-CB 3.3Å; F141-N145 WeakPolarHBondContact O-CB 3.43Å; F141-N145 PolarHBondContact O-N 2.98Å; L142-N145 PolarHBondContact O-N 3.38Å; L143-N145 VanDerWaalsContact C-N 3.34Å; L143-N145 PolarHBondContact O-N 3.05Å; N145-S147 PolarHBondContact O-N 3.02Å; N145-S148 PolarHBondContact O-N 3.42Å; N145-M149 WeakPolarHBondContact O-CG 3.44Å; N145-M149 PolarHBondContact O-N 3.03Å
146K95.9Very high95.3Very high138 Ų138112 Ų11260%0.656%0.56SS**Hα-helixtrans-60.7-45177.1-171.3177.4-179.2-179.50111.9L142 L143 M149 V150L142-K146 WeakPolarHBondContact O-CB 3.39Å; L142-K146 PolarHBondContact O-N 3.27Å; L143-K146 PolarHBondContact O-N 3.29Å; K146-M149 PolarHBondContact O-N 2.98Å; K146-V150 WeakPolarHBondContact O-CG2 3.45Å; K146-V150 PolarHBondContact O-N 2.91Å; K146-V150 VanDerWaalsContact O-N 3.13Å
147S96Very high95.4Very high67 Ų67109.3 Ų109.347%0.46955%0.55SS..Hα-helixtrans-65.7-38.7177.366.90000112.3L143 Q144 N145 V150 R151L143-S147 PolarHBondContact O-N 3.42Å; L143-S147 PolarHBondContact O-OG 2.92Å; Q144-S147 PolarHBondContact O-OG 3.4Å; N145-S147 PolarHBondContact O-N 3.02Å; S147-V150 PolarHBondContact O-N 3.45Å; S147-R151 PolarHBondContact O-N 3.13Å
148S95.4Very high95.6Very high66 Ų66108 Ų10846%0.46255%0.551SS.*Hα-helixtrans-63.1-41.9175.7-59.70000112.1Q144 N145 R151 M152Q144-S148 WeakPolarHBondContact O-CB 3.37Å; Q144-S148 PolarHBondContact O-N 2.78Å; Q144-S148 PolarHBondContact O-OG 2.95Å; N145-S148 PolarHBondContact O-N 3.42Å; S148-R151 PolarHBondContact O-N 3.01Å; S148-M152 WeakPolarHBondContact O-CB 3.44Å; S148-M152 PolarHBondContact O-N 2.83Å
149M95.6Very high95.6Very high98 Ų98110.4 Ų110.448%0.48356%0.555SS.*Hα-helixtrans-63.4-43.7175.6-73.6-164.3-62.300112.3N145 K146 R151 M152 Q153N145-M149 WeakPolarHBondContact O-CG 3.44Å; N145-M149 PolarHBondContact O-N 3.03Å; K146-M149 PolarHBondContact O-N 2.98Å; M149-R151 VanDerWaalsContact C-N 3.34Å; M149-R151 PolarHBondContact O-N 3.16Å; M149-M152 PolarHBondContact O-N 3.41Å; M149-Q153 PolarHBondContact O-N 2.96Å
150V96.9Very high95.7Very high72 Ų72108.7 Ų108.744%0.43655%0.547SS..Hα-helixtrans-60-45.7176.2171.40000110.8K146 S147 M152 Q153 Q154K146-V150 WeakPolarHBondContact O-CG2 3.45Å; K146-V150 PolarHBondContact O-N 2.91Å; K146-V150 VanDerWaalsContact O-N 3.13Å; S147-V150 PolarHBondContact O-N 3.45Å; V150-M152 PolarHBondContact O-N 3.06Å; V150-Q153 PolarHBondContact O-N 3.31Å; V150-Q154 WeakPolarHBondContact O-CG 3.4Å; V150-Q154 PolarHBondContact O-N 3.22Å
151R96.7Very high95.8Very high171 Ų171107.8 Ų107.865%0.64554%0.543SS*.Hα-helixtrans-62.7-41177.7-176.3174.9-179.51450.8112.5S147 S148 M149 Q153 Q154 L155S147-R151 PolarHBondContact O-N 3.13Å; S148-R151 PolarHBondContact O-N 3.01Å; M149-R151 VanDerWaalsContact C-N 3.34Å; M149-R151 PolarHBondContact O-N 3.16Å; R151-Q153 VanDerWaalsContact C-N 3.34Å; R151-Q154 PolarHBondContact O-N 3.47Å; R151-L155 HydrophobicContact CG-CD1 4.2Å; R151-L155 WeakPolarHBondContact O-CG 3.41Å; R151-L155 PolarHBondContact O-N 2.95Å
152M96.8Very high95.9Very high130 Ų130103.9 Ų103.964%0.6454%0.535SS*.Hα-helixtrans-61.5-43.6176.8-177.9176.966.200111.4S148 M149 V150 L155 S156S148-M152 WeakPolarHBondContact O-CB 3.44Å; S148-M152 PolarHBondContact O-N 2.83Å; M149-M152 PolarHBondContact O-N 3.41Å; V150-M152 PolarHBondContact O-N 3.06Å; M152-L155 PolarHBondContact O-N 3.13Å; M152-S156 WeakPolarHBondContact O-CB 3.36Å; M152-S156 PolarHBondContact O-N 3.06Å
153Q97Very high95.9Very high131 Ų131102.5 Ų102.561%0.61253%0.528SS*.Hα-helixtrans-64.3-42.6177.1-170.6175.75.700111.9M149 V150 R151 S156 N157M149-Q153 PolarHBondContact O-N 2.96Å; V150-Q153 PolarHBondContact O-N 3.31Å; R151-Q153 VanDerWaalsContact C-N 3.34Å; Q153-S156 PolarHBondContact O-N 3.07Å; Q153-N157 VanDerWaalsContact O-CG 3.31Å; Q153-N157 PolarHBondContact O-N 3.49Å; Q153-N157 VanDerWaalsContact O-N 3.07Å; Q153-N157 PolarHBondContact O-OD1 3.47Å
154Q96.8Very high95.8Very high119 Ų119101.3 Ų101.356%0.55652%0.521SS*.Hα-helixtrans-59.7-47.3175-72.7173.1-20.600112.1V150 R151 S156 N157 V158V150-Q154 WeakPolarHBondContact O-CG 3.4Å; V150-Q154 PolarHBondContact O-N 3.22Å; R151-Q154 PolarHBondContact O-N 3.47Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 2.66Å; Q154-N157 PolarHBondContact O-N 3.15Å; Q154-V158 WeakPolarHBondContact O-CG2 3.46Å; Q154-V158 PolarHBondContact O-N 2.94Å
155L96.8Very high95.7Very high107 Ų107102.4 Ų102.456%0.5652%0.523SS*.Hα-helixtrans-63.6-38.5178-74.6171000112.3R151 M152 N157 V158 H159R151-L155 HydrophobicContact CG-CD1 4.2Å; R151-L155 WeakPolarHBondContact O-CG 3.41Å; R151-L155 PolarHBondContact O-N 2.95Å; M152-L155 PolarHBondContact O-N 3.13Å; L155-N157 VanDerWaalsContact C-N 3.33Å; L155-N157 PolarHBondContact O-N 3.34Å; L155-V158 PolarHBondContact O-N 3.17Å; L155-H159 VanDerWaalsContact O-CB 3.32Å; L155-H159 WeakPolarHBondContact O-CB 3.46Å; L155-H159 PolarHBondContact O-N 3.39Å
156S96.3Very high95.5Very high70 Ų70102.6 Ų102.649%0.4952%0.524SS..Hα-helixtrans-60.5-43.2175.4-170.30000111.7M152 Q153 Q154 H159 Q160M152-S156 WeakPolarHBondContact O-CB 3.36Å; M152-S156 PolarHBondContact O-N 3.06Å; Q153-S156 PolarHBondContact O-N 3.07Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 2.66Å; S156-H159 PolarHBondContact O-N 2.96Å; S156-Q160 PolarHBondContact O-N 3.35Å
157N96.2Very high95.3Very high80 Ų80102.4 Ų102.443%0.42853%0.525SS..Hα-helixtrans-65.1-47178.1-67.2-7000111.4Q153 Q154 L155 H159 Q160 E161Q153-N157 VanDerWaalsContact O-CG 3.31Å; Q153-N157 PolarHBondContact O-N 3.49Å; Q153-N157 VanDerWaalsContact O-N 3.07Å; Q153-N157 PolarHBondContact O-OD1 3.47Å; Q154-N157 PolarHBondContact O-N 3.15Å; L155-N157 VanDerWaalsContact C-N 3.33Å; L155-N157 PolarHBondContact O-N 3.34Å; N157-H159 VanDerWaalsContact C-N 3.3Å; N157-H159 PolarHBondContact O-N 2.88Å; N157-Q160 PolarHBondContact O-N 3.37Å; N157-E161 WeakPolarHBondContact O-CG 3.4Å; N157-E161 PolarHBondContact O-N 3.36Å
158V95.8Very high94.9Very high90 Ų90106.8 Ų106.855%0.54554%0.536SS..Hα-helixtrans-61-40177.5173.40000111.4Q154 L155 E161 A162Q154-V158 WeakPolarHBondContact O-CG2 3.46Å; Q154-V158 PolarHBondContact O-N 2.94Å; L155-V158 PolarHBondContact O-N 3.17Å; V158-E161 PolarHBondContact O-N 3.04Å; V158-A162 WeakPolarHBondContact O-CB 3.33Å; V158-A162 PolarHBondContact O-N 3.06Å
159H93.5Very high94.5Very high121 Ų121110.5 Ų110.556%0.5655%0.55SS*.Hα-helixtrans-62.7-44.1176.4-178.360.8000111.9L155 S156 N157 A162 L163L155-H159 VanDerWaalsContact O-CB 3.32Å; L155-H159 WeakPolarHBondContact O-CB 3.46Å; L155-H159 PolarHBondContact O-N 3.39Å; S156-H159 PolarHBondContact O-N 2.96Å; N157-H159 VanDerWaalsContact C-N 3.3Å; N157-H159 PolarHBondContact O-N 2.88Å; H159-A162 PolarHBondContact O-N 3.4Å; H159-L163 WeakPolarHBondContact O-CG 3.21Å; H159-L163 PolarHBondContact O-N 3.3Å
160Q96.2Very high93.9Very high105 Ų105111.6 Ų111.649%0.49156%0.558SS.*Hα-helixtrans-63.4-42.1176.8-174.5176.7-3.900112S156 N157 A162 L163 M164S156-Q160 PolarHBondContact O-N 3.35Å; N157-Q160 PolarHBondContact O-N 3.37Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; Q160-A162 PolarHBondContact O-N 3.02Å; Q160-L163 PolarHBondContact O-N 3.22Å; Q160-M164 HydrophobicContact CG-CE 4.17Å; Q160-M164 WeakPolarHBondContact O-CG 3.43Å; Q160-M164 PolarHBondContact O-N 3.35Å
161E96Very high93.3Very high112 Ų112112.1 Ų112.152%0.52356%0.561SS.*Hα-helixtrans-62.3-41.1174.9-73.1177.8-16800112.3N157 V158 M164 K165N157-E161 WeakPolarHBondContact O-CG 3.4Å; N157-E161 PolarHBondContact O-N 3.36Å; V158-E161 PolarHBondContact O-N 3.04Å; E161-M164 PolarHBondContact O-N 3.37Å; E161-K165 WeakPolarHBondContact O-CG 3.49Å; E161-K165 PolarHBondContact O-N 2.87Å
162A95.9Very high92.4Very high52 Ų52106.9 Ų106.943%0.4355%0.548SS..Hα-helixtrans-63.8-41.1176.900000111.7V158 H159 Q160 K165 L166V158-A162 WeakPolarHBondContact O-CB 3.33Å; V158-A162 PolarHBondContact O-N 3.06Å; H159-A162 PolarHBondContact O-N 3.4Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; Q160-A162 PolarHBondContact O-N 3.02Å; A162-K165 PolarHBondContact O-N 3.29Å; A162-L166 WeakPolarHBondContact O-CB 3.49Å; A162-L166 PolarHBondContact O-N 3.41Å
163L94.5Very high91.7Very high93 Ų93103.5 Ų103.549%0.48754%0.536SS..Hα-helixtrans-62.1-44.2175-73.2175.6000111.9H159 Q160 K165 L166 E167H159-L163 WeakPolarHBondContact O-CG 3.21Å; H159-L163 PolarHBondContact O-N 3.3Å; Q160-L163 PolarHBondContact O-N 3.22Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.01Å; L163-L166 PolarHBondContact O-N 3.37Å; L163-E167 PolarHBondContact O-N 3.27Å
164M93.8Very high91Very high100 Ų100100.9 Ų100.949%0.49354%0.537SS..Hα-helixtrans-62.5-37.3176.1-71-179.1177.100112.6Q160 E161 K168Q160-M164 HydrophobicContact CG-CE 4.17Å; Q160-M164 WeakPolarHBondContact O-CG 3.43Å; Q160-M164 PolarHBondContact O-N 3.35Å; E161-M164 PolarHBondContact O-N 3.37Å; M164-K168 WeakPolarHBondContact O-CG 3.41Å; M164-K168 PolarHBondContact O-N 3.04Å
165K93.4Very high90.2Very high136 Ų136102.4 Ų102.459%0.59154%0.544SS*.Hα-helixtrans-67.1-41.4175.1-74.2175.6-178.5174.80111.8E161 A162 L163 K168 L169E161-K165 WeakPolarHBondContact O-CG 3.49Å; E161-K165 PolarHBondContact O-N 2.87Å; A162-K165 PolarHBondContact O-N 3.29Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.01Å; K165-K168 PolarHBondContact O-N 3.24Å; K165-L169 WeakPolarHBondContact O-CG 3.42Å; K165-L169 PolarHBondContact O-N 2.95Å
166L90.3Very high89.4Confident97 Ų97102.1 Ų102.151%0.50854%0.539SS..Hα-helixtrans-66.8-39.1179.2-168.9146000111.6A162 L163 L169 N170A162-L166 WeakPolarHBondContact O-CB 3.49Å; A162-L166 PolarHBondContact O-N 3.41Å; L163-L166 PolarHBondContact O-N 3.37Å; L166-L169 PolarHBondContact O-N 3.02Å; L166-N170 WeakPolarHBondContact CD2-ND2 3.38Å; L166-N170 WeakPolarHBondContact O-CB 3.45Å; L166-N170 PolarHBondContact O-N 2.9Å; L166-N170 PolarHBondContact O-ND2 3.47Å
167E90.7Very high88.8Confident133 Ų133106.3 Ų106.362%0.62155%0.545SS*.Hα-helixtrans-59.5-48.3172.7-173.2175.2-165.500111.2L163 L169 N170 T171L163-E167 PolarHBondContact O-N 3.27Å; E167-L169 VanDerWaalsContact C-N 3.32Å; E167-L169 PolarHBondContact O-N 3.21Å; E167-N170 PolarHBondContact O-N 2.92Å; E167-T171 WeakPolarHBondContact O-CG2 3.48Å; E167-T171 PolarHBondContact O-N 3.23Å; E167-T171 PolarHBondContact O-OG1 3.5Å
168K87.7Confident88.3Confident160 Ų160109.6 Ų109.670%0.69656%0.558SS**Hα-helixtrans-59.4-38.6177.1-73.6177.8-179.7-1740113.7M164 K165 T171M164-K168 WeakPolarHBondContact O-CG 3.41Å; M164-K168 PolarHBondContact O-N 3.04Å; K165-K168 PolarHBondContact O-N 3.24Å; K168-T171 PolarHBondContact O-OG1 2.96Å
169L86.8Confident87.9Confident144 Ų144110.9 Ų110.975%0.75456%0.557SS**Hα-helixtrans-72.4-33.4178.6-72.2170.6000112.7K165 L166 E167 T171K165-L169 WeakPolarHBondContact O-CG 3.42Å; K165-L169 PolarHBondContact O-N 2.95Å; L166-L169 PolarHBondContact O-N 3.02Å; E167-L169 VanDerWaalsContact C-N 3.32Å; E167-L169 PolarHBondContact O-N 3.21Å; L169-T171 VanDerWaalsContact C-N 3.35Å
170N84.5Confident87.7Confident120 Ų120112 Ų11264%0.64256%0.561SS**Hα-helixtrans-78.7-20.4178.2-75.4-24.8000112.9L166 E167 V172L166-N170 WeakPolarHBondContact CD2-ND2 3.38Å; L166-N170 WeakPolarHBondContact O-CB 3.45Å; L166-N170 PolarHBondContact O-N 2.9Å; L166-N170 PolarHBondContact O-ND2 3.47Å; E167-N170 PolarHBondContact O-N 2.92Å; N170-V172 PolarHBondContact O-N 3.4Å
171T83.2Confident87.5Confident84 Ų84113.1 Ų113.152%0.51556%0.564SS.*  trans-85.492.9172.6540000110E167 K168 L169 P173E167-T171 WeakPolarHBondContact O-CG2 3.48Å; E167-T171 PolarHBondContact O-N 3.23Å; E167-T171 PolarHBondContact O-OG1 3.5Å; K168-T171 PolarHBondContact O-OG1 2.96Å; L169-T171 VanDerWaalsContact C-N 3.35Å; T171-P173 WeakPolarHBondContact O-CD 3.43Å
172V78.4Confident87.4Confident61 Ų61112.8 Ų112.837%0.3756%0.563SS.*  trans-71.1120.1167.8-174.60000108.2N170 E176 R177N170-V172 PolarHBondContact O-N 3.4Å; V172-E176 HydrophobicContact CG1-CB 4.03Å; V172-R177 HydrophobicContact CB-CG 4.44Å; V172-R177 HydrophobicContact CG1-CG 3.93Å; V172-R177 PolarHBondContact O-NE 3.2Å; V172-R177 PolarHBondContact O-NH2 3.38Å
173P82.8Confident87.2Confident58 Ų58116.2 Ų116.238%0.37757%0.568SS.*  trans-50.9147.6174.8-2635.2000111.9T171 E175 E176 R177T171-P173 WeakPolarHBondContact O-CD 3.43Å; P173-E175 PolarHBondContact O-N 3.26Å; P173-E176 HydrophobicContact CB-CB 4.42Å; P173-E176 HydrophobicContact CB-CG 4.28Å; P173-E176 WeakPolarHBondContact CD-OE2 3.22Å; P173-E176 HydrophobicContact CG-CG 4.22Å; P173-E176 PolarHBondContact O-N 2.96Å; P173-R177 PolarHBondContact O-N 3.3Å; P173-R177 VanDerWaalsContact O-N 3.13Å
174A80.7Confident87.2Confident77 Ų77117 Ų11764%0.63657%0.571SS**Hα-helixtrans-60.7-36.6177.900000111.4R177 E178A174-R177 WeakPolarHBondContact O-CB 3.37Å; A174-R177 PolarHBondContact O-N 3.49Å; A174-E178 PolarHBondContact O-N 2.95Å
175E80Confident87.2Confident150 Ų150115.5 Ų115.570%0.70156%0.564SS**Hα-helixtrans-60.1-53.7176.6-64.7169.9-173.700111.5P173 R177 E178 E179P173-E175 PolarHBondContact O-N 3.26Å; E175-R177 PolarHBondContact O-N 3.44Å; E175-E178 PolarHBondContact O-N 3.33Å; E175-E179 WeakPolarHBondContact O-CG 3.45Å; E175-E179 PolarHBondContact O-N 3Å
176E81.1Confident87.3Confident101 Ų101111.7 Ų111.747%0.47255%0.551SS.*Hα-helixtrans-60.6-34.8177.3-70.6-177.1-173.700112.4V172 P173 F180V172-E176 HydrophobicContact CG1-CB 4.03Å; P173-E176 HydrophobicContact CB-CB 4.42Å; P173-E176 HydrophobicContact CB-CG 4.28Å; P173-E176 WeakPolarHBondContact CD-OE2 3.22Å; P173-E176 HydrophobicContact CG-CG 4.22Å; P173-E176 PolarHBondContact O-N 2.96Å; E176-F180 WeakPolarHBondContact O-CB 3.44Å; E176-F180 PolarHBondContact O-N 3.34Å
177R82.9Confident87.5Confident158 Ų158111.6 Ų111.660%0.59655%0.55SS*.Hα-helixtrans-65.8-39.1175.3-105.8-175-79.5-157.4-3.9112.4V172 P173 A174 E175 K181V172-R177 HydrophobicContact CB-CG 4.44Å; V172-R177 HydrophobicContact CG1-CG 3.93Å; V172-R177 PolarHBondContact O-NE 3.2Å; V172-R177 PolarHBondContact O-NH2 3.38Å; P173-R177 PolarHBondContact O-N 3.3Å; P173-R177 VanDerWaalsContact O-N 3.13Å; A174-R177 WeakPolarHBondContact O-CB 3.37Å; A174-R177 PolarHBondContact O-N 3.49Å; E175-R177 PolarHBondContact O-N 3.44Å; R177-K181 WeakPolarHBondContact O-CB 3.48Å; R177-K181 PolarHBondContact O-N 3.46Å; R177-K181 VanDerWaalsContact O-N 3.1Å
178E86.2Confident87.6Confident150 Ų150111.1 Ų111.170%0.70155%0.547SS*.Hα-helixtrans-72.1-41.2177.9-166.8162.6-157.200111A174 E175 K181 Q182A174-E178 PolarHBondContact O-N 2.95Å; E175-E178 PolarHBondContact O-N 3.33Å; E178-K181 WeakPolarHBondContact O-CB 3.28Å; E178-K181 PolarHBondContact O-N 3.04Å; E178-Q182 PolarHBondContact O-N 3.28Å
179E88.2Confident87.9Confident116 Ų116109.5 Ų109.554%0.54254%0.543SS..Hα-helixtrans-59.8-47.3172.1-71.9-177.3-177.700112E175 K181 Q182 F183E175-E179 WeakPolarHBondContact O-CG 3.45Å; E175-E179 PolarHBondContact O-N 3Å; E179-K181 VanDerWaalsContact C-N 3.27Å; E179-K181 PolarHBondContact O-N 2.91Å; E179-Q182 PolarHBondContact O-N 3.41Å; E179-F183 HydrophobicContact CB-CE2 4.41Å; E179-F183 WeakPolarHBondContact O-CD2 3.48Å; E179-F183 WeakPolarHBondContact O-CG 3.41Å; E179-F183 PolarHBondContact O-N 3.22Å
180F88.3Confident88.2Confident145 Ų145108.3 Ų108.364%0.63654%0.536SS*.Hα-helixtrans-59.7-39.6176.1-107.6-80.6000112.2E176 F183 M184E176-F180 WeakPolarHBondContact O-CB 3.44Å; E176-F180 PolarHBondContact O-N 3.34Å; F180-F183 PolarHBondContact O-N 3.08Å; F180-M184 WeakPolarHBondContact O-CG 3.32Å; F180-M184 PolarHBondContact O-N 3.39Å
181K91.8Very high88.7Confident129 Ų129108 Ų10856%0.56153%0.531SS*.Hα-helixtrans-65.7-46177-172.7-176.3173.7-166.80110.9R177 E178 E179 F183 M184 D185R177-K181 WeakPolarHBondContact O-CB 3.48Å; R177-K181 PolarHBondContact O-N 3.46Å; R177-K181 VanDerWaalsContact O-N 3.1Å; E178-K181 WeakPolarHBondContact O-CB 3.28Å; E178-K181 PolarHBondContact O-N 3.04Å; E179-K181 VanDerWaalsContact C-N 3.27Å; E179-K181 PolarHBondContact O-N 2.91Å; K181-F183 VanDerWaalsContact C-N 3.33Å; K181-F183 PolarHBondContact O-N 3.45Å; K181-M184 WeakPolarHBondContact O-CB 3.34Å; K181-M184 PolarHBondContact O-N 3.41Å; K181-M184 VanDerWaalsContact O-N 3.14Å; K181-D185 VanDerWaalsContact O-CG 3.31Å; K181-D185 PolarHBondContact O-N 2.9Å
182Q93.2Very high89Confident104 Ų104109 Ų10949%0.48653%0.529SS..Hα-helixtrans-58.7-45.3176.3-173.163.446.800111.2E178 E179 M184 D185 D186E178-Q182 PolarHBondContact O-N 3.28Å; E179-Q182 PolarHBondContact O-N 3.41Å; Q182-M184 VanDerWaalsContact C-N 3.31Å; Q182-M184 PolarHBondContact O-N 3.12Å; Q182-D185 PolarHBondContact O-N 2.96Å; Q182-D186 PolarHBondContact NE2-OD1 2.9Å; Q182-D186 WeakPolarHBondContact O-CB 3.4Å; Q182-D186 PolarHBondContact O-N 3.07Å
183F93.2Very high89.7Confident125 Ų125109 Ų10955%0.54853%0.527SS..Hα-helixtrans-62.5-37.5176-71.7-46.9000112.9E179 F180 K181 I187E179-F183 HydrophobicContact CB-CE2 4.41Å; E179-F183 WeakPolarHBondContact O-CD2 3.48Å; E179-F183 WeakPolarHBondContact O-CG 3.41Å; E179-F183 PolarHBondContact O-N 3.22Å; F180-F183 PolarHBondContact O-N 3.08Å; K181-F183 VanDerWaalsContact C-N 3.33Å; K181-F183 PolarHBondContact O-N 3.45Å; F183-I187 WeakPolarHBondContact O-CB 3.4Å; F183-I187 WeakPolarHBondContact O-CD1 3.46Å; F183-I187 WeakPolarHBondContact O-CG1 3.42Å; F183-I187 PolarHBondContact O-N 3.42Å
184M93.4Very high90.1Very high109 Ų109111.4 Ų111.454%0.53754%0.536SS..Hα-helixtrans-65-42.5173.9-74.3-148.6-4700112F180 K181 Q182 I187 Q188F180-M184 WeakPolarHBondContact O-CG 3.32Å; F180-M184 PolarHBondContact O-N 3.39Å; K181-M184 WeakPolarHBondContact O-CB 3.34Å; K181-M184 PolarHBondContact O-N 3.41Å; K181-M184 VanDerWaalsContact O-N 3.14Å; Q182-M184 VanDerWaalsContact C-N 3.31Å; Q182-M184 PolarHBondContact O-N 3.12Å; M184-I187 PolarHBondContact O-N 3.27Å; M184-Q188 WeakPolarHBondContact O-CG 3.35Å; M184-Q188 PolarHBondContact O-N 3.43Å
185D94.8Very high90.5Very high68 Ų68112.4 Ų112.436%0.36453%0.531SS..Hα-helixtrans-64-44.4178.8-67-15.6000110.1K181 Q182 I187 Q188 E189K181-D185 VanDerWaalsContact O-CG 3.31Å; K181-D185 PolarHBondContact O-N 2.9Å; Q182-D185 PolarHBondContact O-N 2.96Å; D185-I187 PolarHBondContact O-N 3.48Å; D185-Q188 PolarHBondContact O-N 3.4Å; D185-E189 PolarHBondContact O-N 3.34Å
186D95.3Very high90.9Very high57 Ų57109.8 Ų109.831%0.30552%0.519SS..Hα-helixtrans-61.7-42175.6-66.2-8000112.1Q182 Q188 E189 L190Q182-D186 PolarHBondContact NE2-OD1 2.9Å; Q182-D186 WeakPolarHBondContact O-CB 3.4Å; Q182-D186 PolarHBondContact O-N 3.07Å; D186-Q188 VanDerWaalsContact C-N 3.34Å; D186-E189 PolarHBondContact O-N 3.05Å; D186-L190 WeakPolarHBondContact O-CB 3.43Å; D186-L190 WeakPolarHBondContact O-CG 3.47Å; D186-L190 PolarHBondContact O-N 3.28Å
187I93.6Very high91.2Very high95 Ų95110.4 Ų110.449%0.48752%0.521SS..Hα-helixtrans-64-41.4176.5-73.6166.7000110.4F183 M184 D185 Q191F183-I187 WeakPolarHBondContact O-CB 3.4Å; F183-I187 WeakPolarHBondContact O-CD1 3.46Å; F183-I187 WeakPolarHBondContact O-CG1 3.42Å; F183-I187 PolarHBondContact O-N 3.42Å; M184-I187 PolarHBondContact O-N 3.27Å; D185-I187 PolarHBondContact O-N 3.48Å; I187-Q191 WeakPolarHBondContact O-CB 3.21Å; I187-Q191 VanDerWaalsContact O-CG 3.31Å; I187-Q191 WeakPolarHBondContact O-CG 3.34Å; I187-Q191 PolarHBondContact O-N 3.46Å
188Q94.2Very high91.4Very high122 Ų122108.2 Ų108.257%0.5752%0.517SS*.Hα-helixtrans-65.1-43.1177.1-76-1785.700111.5M184 D185 D186 Q191 H192M184-Q188 WeakPolarHBondContact O-CG 3.35Å; M184-Q188 PolarHBondContact O-N 3.43Å; D185-Q188 PolarHBondContact O-N 3.4Å; D186-Q188 VanDerWaalsContact C-N 3.34Å; Q188-Q191 PolarHBondContact O-N 2.95Å; Q188-H192 WeakPolarHBondContact O-CB 3.44Å; Q188-H192 PolarHBondContact O-N 2.9Å
189E94Very high91.6Very high127 Ų127109.8 Ų109.859%0.59352%0.516SS*.Hα-helixtrans-62.8-46.5176.8-170.9174.2-16800111.2D185 D186 Q191 H192 L193D185-E189 PolarHBondContact O-N 3.34Å; D186-E189 PolarHBondContact O-N 3.05Å; E189-Q191 VanDerWaalsContact C-N 3.33Å; E189-Q191 PolarHBondContact O-N 2.81Å; E189-H192 WeakPolarHBondContact O-CB 3.41Å; E189-H192 PolarHBondContact O-N 3.38Å; E189-H192 VanDerWaalsContact O-N 3.15Å; E189-L193 WeakPolarHBondContact O-CB 3.44Å; E189-L193 PolarHBondContact O-N 3.06Å
190L93.4Very high91.7Very high119 Ų119110 Ų11062%0.62352%0.517SS*.Hα-helixtrans-62-39.5176-76.6170.5000112.5D186 H192 L194D186-L190 WeakPolarHBondContact O-CB 3.43Å; D186-L190 WeakPolarHBondContact O-CG 3.47Å; D186-L190 PolarHBondContact O-N 3.28Å; L190-H192 VanDerWaalsContact C-N 3.34Å; L190-L194 VanDerWaalsContact O-CB 3.28Å; L190-L194 WeakPolarHBondContact O-CB 3.46Å; L190-L194 PolarHBondContact O-N 2.89Å
191Q93.4Very high91.8Very high113 Ų113109.5 Ų109.553%0.52852%0.515SS..Hα-helixtrans-64-40.1174.4-80.8-176.9-5.600111.8I187 Q188 E189 N195I187-Q191 WeakPolarHBondContact O-CB 3.21Å; I187-Q191 VanDerWaalsContact O-CG 3.31Å; I187-Q191 WeakPolarHBondContact O-CG 3.34Å; I187-Q191 PolarHBondContact O-N 3.46Å; Q188-Q191 PolarHBondContact O-N 2.95Å; E189-Q191 VanDerWaalsContact C-N 3.33Å; E189-Q191 PolarHBondContact O-N 2.81Å; Q191-N195 VanDerWaalsContact O-CB 3.23Å; Q191-N195 WeakPolarHBondContact O-CB 3.44Å; Q191-N195 VanDerWaalsContact O-CG 3.26Å; Q191-N195 PolarHBondContact O-N 3.32Å; Q191-N195 PolarHBondContact O-ND2 3.4Å; Q191-N195 VanDerWaalsContact O-ND2 3.09Å
192H91.3Very high91.8Very high104 Ų104106.9 Ų106.948%0.48151%0.51SS..Hα-helixtrans-63.7-50176.2-177.4-81.2000111.3Q188 E189 L190 L194 N195 E196Q188-H192 WeakPolarHBondContact O-CB 3.44Å; Q188-H192 PolarHBondContact O-N 2.9Å; E189-H192 WeakPolarHBondContact O-CB 3.41Å; E189-H192 PolarHBondContact O-N 3.38Å; E189-H192 VanDerWaalsContact O-N 3.15Å; L190-H192 VanDerWaalsContact C-N 3.34Å; H192-L194 VanDerWaalsContact C-N 3.33Å; H192-L194 PolarHBondContact O-N 3.5Å; H192-N195 PolarHBondContact O-N 2.88Å; H192-E196 IonicContact CD2-OE2 3.18Å; H192-E196 IonicContact CE1-OE2 2.71Å; H192-E196 PolarHBondContact CE1-OE2 2.96Å; H192-E196 VanDerWaalsContact CE1-OE2 3.29Å; H192-E196 IonicContact NE2-OE1 3.79Å; H192-E196 IonicContact NE2-OE2 3.38Å; H192-E196 PolarHBondContact NE2-OE2 3.05Å; H192-E196 VanDerWaalsContact NE2-OE2 3.14Å; H192-E196 WeakPolarHBondContact O-CB 3.44Å; H192-E196 PolarHBondContact O-N 2.7Å
193L93Very high91.7Very high61 Ų61105.1 Ų105.132%0.31951%0.506SS..Iπ-helixtrans-57-45.2177.9-125.4142.8000111.7E189 E197 F198E189-L193 WeakPolarHBondContact O-CB 3.44Å; E189-L193 PolarHBondContact O-N 3.06Å; L193-E197 VanDerWaalsContact CD2-OE2 3.27Å; L193-E197 WeakPolarHBondContact CD2-OE2 3.43Å; L193-E197 WeakPolarHBondContact O-CB 3.48Å; L193-E197 PolarHBondContact O-N 2.73Å; L193-F198 HydrophobicContact CD2-CE2 4.22Å; L193-F198 WeakPolarHBondContact O-CD2 3.39Å; L193-F198 PolarHBondContact O-N 3.02Å
194L90.1Very high91.7Very high110 Ų110104.1 Ų104.158%0.57651%0.506SS*.Iπ-helixtrans-67.5-45.5179-175.663.7000112.8L190 H192 F198L190-L194 VanDerWaalsContact O-CB 3.28Å; L190-L194 WeakPolarHBondContact O-CB 3.46Å; L190-L194 PolarHBondContact O-N 2.89Å; H192-L194 VanDerWaalsContact C-N 3.33Å; H192-L194 PolarHBondContact O-N 3.5Å; L194-F198 HydrophobicContact CD1-CD2 4.35Å; L194-F198 WeakPolarHBondContact O-CB 3.5Å
195N89.7Confident91.7Very high98 Ų98103.5 Ų103.552%0.52450%0.504SS..Iπ-helixtrans-80.3-32.8-172.3-72.9-34.6000113.3Q191 H192 R199Q191-N195 VanDerWaalsContact O-CB 3.23Å; Q191-N195 WeakPolarHBondContact O-CB 3.44Å; Q191-N195 VanDerWaalsContact O-CG 3.26Å; Q191-N195 PolarHBondContact O-N 3.32Å; Q191-N195 PolarHBondContact O-ND2 3.4Å; Q191-N195 VanDerWaalsContact O-ND2 3.09Å; H192-N195 PolarHBondContact O-N 2.88Å; N195-R199 WeakPolarHBondContact O-CB 3.3Å; N195-R199 WeakPolarHBondContact O-CD 3.48Å
196E88.2Confident91.6Very high95 Ų95106.3 Ų106.344%0.44452%0.515SS..Iπ-helixtrans-97.2-63-176.9-61.6-158.4166.400111.9H192 R199 Q200H192-E196 IonicContact CD2-OE2 3.18Å; H192-E196 IonicContact CE1-OE2 2.71Å; H192-E196 PolarHBondContact CE1-OE2 2.96Å; H192-E196 VanDerWaalsContact CE1-OE2 3.29Å; H192-E196 IonicContact NE2-OE1 3.79Å; H192-E196 IonicContact NE2-OE2 3.38Å; H192-E196 PolarHBondContact NE2-OE2 3.05Å; H192-E196 VanDerWaalsContact NE2-OE2 3.14Å; H192-E196 WeakPolarHBondContact O-CB 3.44Å; H192-E196 PolarHBondContact O-N 2.7Å; E196-R199 PolarHBondContact O-N 3.08Å; E196-Q200 WeakPolarHBondContact O-CB 3.36Å; E196-Q200 VanDerWaalsContact O-CG 3.24Å; E196-Q200 WeakPolarHBondContact O-CG 3.3Å; E196-Q200 PolarHBondContact O-N 3.31Å
197E87.6Confident91.6Very high113 Ų113109.3 Ų109.353%0.52853%0.527SS..Iπ-helixtrans-68-49.3-170.7-65.2-167162.200112.3L193 R199 Q200 K201L193-E197 VanDerWaalsContact CD2-OE2 3.27Å; L193-E197 WeakPolarHBondContact CD2-OE2 3.43Å; L193-E197 WeakPolarHBondContact O-CB 3.48Å; L193-E197 PolarHBondContact O-N 2.73Å; E197-R199 PolarHBondContact O-N 3.34Å; E197-Q200 PolarHBondContact O-N 3.13Å; E197-K201 WeakPolarHBondContact O-CB 3.46Å; E197-K201 PolarHBondContact O-N 3.29Å
198F87.4Confident91.6Very high113 Ų113111 Ų11150%0.49653%0.533SS..Hα-helixtrans-65.4-33.1179.8-82.1-79.2000112L193 L194 T202L193-F198 HydrophobicContact CD2-CE2 4.22Å; L193-F198 WeakPolarHBondContact O-CD2 3.39Å; L193-F198 PolarHBondContact O-N 3.02Å; L194-F198 HydrophobicContact CD1-CD2 4.35Å; L194-F198 WeakPolarHBondContact O-CB 3.5Å; F198-T202 WeakPolarHBondContact O-CB 3.35Å; F198-T202 PolarHBondContact O-N 3.11Å; F198-T202 PolarHBondContact O-OG1 3.3Å
199R89.2Confident91.5Very high182 Ų182112.9 Ų112.969%0.68754%0.536SS*.Hα-helixtrans-69.8-46177.2-159.1175.9-174.1-1711.4111N195 E196 E197 K201 T202 T203N195-R199 WeakPolarHBondContact O-CB 3.3Å; N195-R199 WeakPolarHBondContact O-CD 3.48Å; E196-R199 PolarHBondContact O-N 3.08Å; E197-R199 PolarHBondContact O-N 3.34Å; R199-K201 PolarHBondContact O-N 2.7Å; R199-T202 WeakPolarHBondContact O-CB 3.36Å; R199-T202 PolarHBondContact O-N 3.17Å; R199-T203 PolarHBondContact O-N 3.46Å; R199-T203 PolarHBondContact O-OG1 3.01Å; R199-T203 VanDerWaalsContact O-OG1 3.13Å
200Q90.4Very high91.4Very high120 Ų120109.6 Ų109.656%0.56153%0.531SS*.Hα-helixtrans-58.4-46.1173.4-73.5174.821.500111.7E196 E197 T202 T203 L204E196-Q200 WeakPolarHBondContact O-CB 3.36Å; E196-Q200 VanDerWaalsContact O-CG 3.24Å; E196-Q200 WeakPolarHBondContact O-CG 3.3Å; E196-Q200 PolarHBondContact O-N 3.31Å; E197-Q200 PolarHBondContact O-N 3.13Å; Q200-T202 VanDerWaalsContact C-N 3.31Å; Q200-T202 PolarHBondContact O-N 2.98Å; Q200-T203 PolarHBondContact O-N 3.41Å; Q200-L204 WeakPolarHBondContact O-CG 3.39Å; Q200-L204 PolarHBondContact O-N 3.37Å
201K91.3Very high91.5Very high135 Ų135110.9 Ų110.959%0.58753%0.531SS*.Hα-helixtrans-61.7-39177.8-168172.5-175.1173.60112.3E197 R199 L205E197-K201 WeakPolarHBondContact O-CB 3.46Å; E197-K201 PolarHBondContact O-N 3.29Å; R199-K201 PolarHBondContact O-N 2.7Å; K201-L205 HydrophobicContact CG-CD1 4.23Å; K201-L205 WeakPolarHBondContact O-CB 3.31Å; K201-L205 WeakPolarHBondContact O-CG 3.49Å; K201-L205 PolarHBondContact O-N 2.88Å
202T91.1Very high91.6Very high75 Ų75111.5 Ų111.546%0.4654%0.536SS..Hα-helixtrans-64.5-42.2175.5-58.40000111.4F198 R199 Q200 Q206F198-T202 WeakPolarHBondContact O-CB 3.35Å; F198-T202 PolarHBondContact O-N 3.11Å; F198-T202 PolarHBondContact O-OG1 3.3Å; R199-T202 WeakPolarHBondContact O-CB 3.36Å; R199-T202 PolarHBondContact O-N 3.17Å; Q200-T202 VanDerWaalsContact C-N 3.31Å; Q200-T202 PolarHBondContact O-N 2.98Å; T202-Q206 WeakPolarHBondContact O-CG 3.24Å; T202-Q206 PolarHBondContact O-N 3.07Å
203T91.1Very high91.7Very high67 Ų67112.8 Ų112.841%0.41154%0.54SS..Hα-helixtrans-63.3-47.2176.6-57.30000111.6R199 Q200 L205 Q206 E207R199-T203 PolarHBondContact O-N 3.46Å; R199-T203 PolarHBondContact O-OG1 3.01Å; R199-T203 VanDerWaalsContact O-OG1 3.13Å; Q200-T203 PolarHBondContact O-N 3.41Å; T203-L205 PolarHBondContact O-N 3.07Å; T203-Q206 WeakPolarHBondContact O-CB 3.44Å; T203-Q206 PolarHBondContact O-N 3.33Å; T203-Q206 VanDerWaalsContact O-N 3.16Å; T203-E207 WeakPolarHBondContact O-CG 3.46Å; T203-E207 PolarHBondContact O-N 2.93Å
204L93.5Very high91.8Very high103 Ų103113.4 Ų113.454%0.53955%0.549SS..Hα-helixtrans-60.1-44.8177.8-70.6173000112.2Q200 Q206 E207 E208Q200-L204 WeakPolarHBondContact O-CG 3.39Å; Q200-L204 PolarHBondContact O-N 3.37Å; L204-Q206 VanDerWaalsContact C-N 3.3Å; L204-Q206 PolarHBondContact O-N 3.26Å; L204-E207 PolarHBondContact O-N 3.44Å; L204-E208 PolarHBondContact O-N 2.87Å
205L93.8Very high92Very high97 Ų97111.5 Ų111.551%0.50854%0.54SS..Hα-helixtrans-61.8-37.5176-81.9162.8000112.5K201 T203 Y209K201-L205 HydrophobicContact CG-CD1 4.23Å; K201-L205 WeakPolarHBondContact O-CB 3.31Å; K201-L205 WeakPolarHBondContact O-CG 3.49Å; K201-L205 PolarHBondContact O-N 2.88Å; T203-L205 PolarHBondContact O-N 3.07Å; L205-Y209 VanDerWaalsContact O-CB 3.27Å; L205-Y209 WeakPolarHBondContact O-CB 3.48Å; L205-Y209 PolarHBondContact O-N 2.65Å
206Q93.1Very high92.2Very high127 Ų127111.6 Ų111.659%0.59354%0.539SS*.Hα-helixtrans-66.6-39175.8-78.7-179.6-11.600112.2T202 T203 L204 A210T202-Q206 WeakPolarHBondContact O-CG 3.24Å; T202-Q206 PolarHBondContact O-N 3.07Å; T203-Q206 WeakPolarHBondContact O-CB 3.44Å; T203-Q206 PolarHBondContact O-N 3.33Å; T203-Q206 VanDerWaalsContact O-N 3.16Å; L204-Q206 VanDerWaalsContact C-N 3.3Å; L204-Q206 PolarHBondContact O-N 3.26Å; Q206-A210 WeakPolarHBondContact O-CB 3.46Å; Q206-A210 PolarHBondContact O-N 3.11Å
207E93.9Very high92.5Very high119 Ų119111 Ų11156%0.55655%0.545SS*.Hα-helixtrans-65.6-45.6175.5-71176.7179.400111.8T203 L204 Y209 A210 K211T203-E207 WeakPolarHBondContact O-CG 3.46Å; T203-E207 PolarHBondContact O-N 2.93Å; L204-E207 PolarHBondContact O-N 3.44Å; E207-Y209 PolarHBondContact O-N 3.36Å; E207-A210 PolarHBondContact O-N 3.07Å; E207-K211 WeakPolarHBondContact O-CB 3.48Å; E207-K211 PolarHBondContact O-N 3.47Å
208E93.9Very high92.8Very high131 Ų131112 Ų11261%0.61255%0.55SS**Hα-helixtrans-60.8-44.6175.2-73.6-174.6163.500111.8L204 A210 K211 M212L204-E208 PolarHBondContact O-N 2.87Å; E208-A210 PolarHBondContact O-N 3.17Å; E208-K211 PolarHBondContact O-N 3.4Å; E208-M212 WeakPolarHBondContact O-CB 3.37Å; E208-M212 PolarHBondContact O-N 3.38Å
209Y91.7Very high93.2Very high161 Ų161114.1 Ų114.163%0.63156%0.559SS**Hα-helixtrans-61.7-43.2176.2177.8-103.2000112.1L205 E207 K211 M212 K213L205-Y209 VanDerWaalsContact O-CB 3.27Å; L205-Y209 WeakPolarHBondContact O-CB 3.48Å; L205-Y209 PolarHBondContact O-N 2.65Å; E207-Y209 PolarHBondContact O-N 3.36Å; Y209-K211 VanDerWaalsContact C-N 3.35Å; Y209-K211 PolarHBondContact O-N 3.13Å; Y209-M212 PolarHBondContact O-N 3.3Å; Y209-K213 HydrophobicContact CE1-CD 4.46Å; Y209-K213 WeakPolarHBondContact O-CB 3.42Å; Y209-K213 PolarHBondContact O-N 3.16Å
210A93.5Very high93.4Very high59 Ų59108.7 Ų108.749%0.48855%0.546SS..Hα-helixtrans-62.6-42.1177.300000111.8Q206 E207 E208 K213 S214Q206-A210 WeakPolarHBondContact O-CB 3.46Å; Q206-A210 PolarHBondContact O-N 3.11Å; E207-A210 PolarHBondContact O-N 3.07Å; E208-A210 PolarHBondContact O-N 3.17Å; A210-K213 PolarHBondContact O-N 3.33Å; A210-S214 PolarHBondContact O-N 2.95Å
211K95.1Very high93.5Very high145 Ų145109.6 Ų109.663%0.6355%0.548SS*.Hα-helixtrans-62.2-49175.3-171.8178.2-178.9-179.20111.5E207 E208 Y209 K213 S214 D215E207-K211 WeakPolarHBondContact O-CB 3.48Å; E207-K211 PolarHBondContact O-N 3.47Å; E208-K211 PolarHBondContact O-N 3.4Å; Y209-K211 VanDerWaalsContact C-N 3.35Å; Y209-K211 PolarHBondContact O-N 3.13Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 2.88Å; K211-S214 WeakPolarHBondContact O-CB 3.44Å; K211-S214 PolarHBondContact O-N 2.94Å; K211-S214 VanDerWaalsContact O-N 3.1Å; K211-D215 PolarHBondContact O-N 2.94Å
212M93.9Very high93.6Very high126 Ų126108 Ų10862%0.62154%0.543SS*.Hα-helixtrans-62.8-37.3179.6-165.6161.4-172.100112.2E208 Y209 D215 I216E208-M212 WeakPolarHBondContact O-CB 3.37Å; E208-M212 PolarHBondContact O-N 3.38Å; Y209-M212 PolarHBondContact O-N 3.3Å; M212-D215 PolarHBondContact O-N 3Å; M212-I216 HydrophobicContact CG-CD1 4.32Å; M212-I216 VanDerWaalsContact O-CG1 3.27Å; M212-I216 WeakPolarHBondContact O-CG1 3.43Å; M212-I216 PolarHBondContact O-N 3.37Å
213K94.6Very high93.7Very high132 Ų132108.4 Ų108.457%0.57454%0.542SS*.Hα-helixtrans-64.3-39.6173.9-171.6177.8179.2-1780112.2Y209 A210 K211 S217Y209-K213 HydrophobicContact CE1-CD 4.46Å; Y209-K213 WeakPolarHBondContact O-CB 3.42Å; Y209-K213 PolarHBondContact O-N 3.16Å; A210-K213 PolarHBondContact O-N 3.33Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 2.88Å; K213-S217 PolarHBondContact O-N 3.13Å; K213-S217 VanDerWaalsContact O-N 3.08Å
214S94.6Very high93.6Very high73 Ų73109 Ų10951%0.5154%0.542SS..Hα-helixtrans-61.6-48.4173.6-172.70000111.3A210 K211 I216 S217 E218A210-S214 PolarHBondContact O-N 2.95Å; K211-S214 WeakPolarHBondContact O-CB 3.44Å; K211-S214 PolarHBondContact O-N 2.94Å; K211-S214 VanDerWaalsContact O-N 3.1Å; S214-I216 VanDerWaalsContact C-N 3.34Å; S214-I216 PolarHBondContact O-N 2.84Å; S214-S217 WeakPolarHBondContact O-CB 3.48Å; S214-S217 PolarHBondContact O-N 3.41Å; S214-S217 VanDerWaalsContact O-N 3.13Å; S214-E218 PolarHBondContact O-N 2.67Å
215D95.5Very high93.5Very high71 Ų71108.2 Ų108.238%0.3854%0.536SS..Hα-helixtrans-61.3-40.8179.5-69.5-3000112.1K211 M212 E218 K219K211-D215 PolarHBondContact O-N 2.94Å; M212-D215 PolarHBondContact O-N 3Å; D215-E218 PolarHBondContact O-N 3.04Å; D215-K219 WeakPolarHBondContact O-CB 3.05Å; D215-K219 WeakPolarHBondContact O-CG 3.37Å; D215-K219 PolarHBondContact O-N 3.02Å
216I93.8Very high93.4Very high100 Ų100108.7 Ų108.751%0.51354%0.536SS..Hα-helixtrans-62.7-43.8175.2-71.2167.1000110.7M212 S214 T220M212-I216 HydrophobicContact CG-CD1 4.32Å; M212-I216 VanDerWaalsContact O-CG1 3.27Å; M212-I216 WeakPolarHBondContact O-CG1 3.43Å; M212-I216 PolarHBondContact O-N 3.37Å; S214-I216 VanDerWaalsContact C-N 3.34Å; S214-I216 PolarHBondContact O-N 2.84Å; I216-T220 VanDerWaalsContact O-CB 3.28Å; I216-T220 WeakPolarHBondContact O-CB 3.49Å; I216-T220 PolarHBondContact O-N 3.46Å; I216-T220 PolarHBondContact O-OG1 3.3Å
217S93.6Very high93.3Very high81 Ų81108.2 Ų108.257%0.56653%0.532SS*.Hα-helixtrans-62.3-43.4178.2-175.80000111.5K213 S214 T220 K221K213-S217 PolarHBondContact O-N 3.13Å; K213-S217 VanDerWaalsContact O-N 3.08Å; S214-S217 WeakPolarHBondContact O-CB 3.48Å; S214-S217 PolarHBondContact O-N 3.41Å; S214-S217 VanDerWaalsContact O-N 3.13Å; S217-T220 PolarHBondContact O-N 3.41Å; S217-K221 PolarHBondContact O-N 2.94Å
218E94.5Very high93Very high135 Ų135108.6 Ų108.663%0.63154%0.537SS*.Hα-helixtrans-65.1-48.5178.3-170.6178.5-167.800111.9S214 D215 T220 K221 H222S214-E218 PolarHBondContact O-N 2.67Å; D215-E218 PolarHBondContact O-N 3.04Å; E218-T220 VanDerWaalsContact C-N 3.27Å; E218-T220 PolarHBondContact O-N 2.96Å; E218-K221 WeakPolarHBondContact O-CB 3.45Å; E218-K221 PolarHBondContact O-N 2.77Å; E218-H222 PolarHBondContact O-N 3.39Å
219K94.7Very high92.7Very high157 Ų157105.4 Ų105.468%0.68353%0.529SS*.Hα-helixtrans-59.8-38.5175.3-75.8175.2-178.5-80.80112.1D215 H222 L223D215-K219 WeakPolarHBondContact O-CB 3.05Å; D215-K219 WeakPolarHBondContact O-CG 3.37Å; D215-K219 PolarHBondContact O-N 3.02Å; K219-H222 PolarHBondContact O-N 3.06Å; K219-L223 WeakPolarHBondContact O-CB 3.47Å; K219-L223 PolarHBondContact O-N 2.84Å
220T92.9Very high92.6Very high68 Ų68103.1 Ų103.142%0.41753%0.527SS..Hα-helixtrans-65.7-41.8177.5-590000111.5I216 S217 E218 L223 N224I216-T220 VanDerWaalsContact O-CB 3.28Å; I216-T220 WeakPolarHBondContact O-CB 3.49Å; I216-T220 PolarHBondContact O-N 3.46Å; I216-T220 PolarHBondContact O-OG1 3.3Å; S217-T220 PolarHBondContact O-N 3.41Å; E218-T220 VanDerWaalsContact C-N 3.27Å; E218-T220 PolarHBondContact O-N 2.96Å; T220-L223 PolarHBondContact O-N 2.97Å; T220-N224 PolarHBondContact O-N 3.29Å; T220-N224 VanDerWaalsContact O-N 3.15Å; T220-N224 PolarHBondContact O-ND2 3.48Å
221K93.5Very high92.2Very high139 Ų139104.5 Ų104.560%0.60453%0.529SS*.Hα-helixtrans-60.4-48.5174.3-178.1-177173.5-171.10111.1S217 E218 L223 N224 E225S217-K221 PolarHBondContact O-N 2.94Å; E218-K221 WeakPolarHBondContact O-CB 3.45Å; E218-K221 PolarHBondContact O-N 2.77Å; K221-L223 PolarHBondContact O-N 3.14Å; K221-N224 PolarHBondContact O-N 3.29Å; K221-N224 VanDerWaalsContact O-N 3.13Å; K221-E225 WeakPolarHBondContact CE-OE1 3.4Å; K221-E225 PolarHBondContact O-N 3.01Å; K221-E225 VanDerWaalsContact O-N 3.12Å
222H93.2Very high91.7Very high103 Ų103100.4 Ų100.448%0.47752%0.519SS..Hα-helixtrans-65-38.3-178.9-163.940.9000112.7E218 K219 N224 E225 Q226E218-H222 PolarHBondContact O-N 3.39Å; K219-H222 PolarHBondContact O-N 3.06Å; H222-N224 VanDerWaalsContact C-N 3.29Å; H222-N224 PolarHBondContact O-N 2.93Å; H222-E225 IonicContact ND1-OE2 3.15Å; H222-E225 PolarHBondContact ND1-OE2 2.91Å; H222-E225 VanDerWaalsContact ND1-OE2 3.15Å; H222-E225 PolarHBondContact O-N 3.48Å; H222-Q226 WeakPolarHBondContact O-CG 3.48Å; H222-Q226 PolarHBondContact O-N 3.43Å
223L93Very high91.2Very high83 Ų83100.2 Ų100.244%0.43552%0.52SS..Hα-helixtrans-59.5-39.4173.3179.264.7000112.1K219 T220 K221 Q226 K227K219-L223 WeakPolarHBondContact O-CB 3.47Å; K219-L223 PolarHBondContact O-N 2.84Å; T220-L223 PolarHBondContact O-N 2.97Å; K221-L223 PolarHBondContact O-N 3.14Å; L223-Q226 PolarHBondContact O-N 3.3Å; L223-K227 WeakPolarHBondContact O-CG 3.3Å; L223-K227 PolarHBondContact O-N 2.98Å
224N89.8Confident90.7Very high79 Ų7999.3 Ų99.342%0.42252%0.516SS..Hα-helixtrans-69.9-37.1178.8-72.7-25.8000112.4T220 K221 H222 Q226 K227 L228T220-N224 PolarHBondContact O-N 3.29Å; T220-N224 VanDerWaalsContact O-N 3.15Å; T220-N224 PolarHBondContact O-ND2 3.48Å; K221-N224 PolarHBondContact O-N 3.29Å; K221-N224 VanDerWaalsContact O-N 3.13Å; H222-N224 VanDerWaalsContact C-N 3.29Å; H222-N224 PolarHBondContact O-N 2.93Å; N224-Q226 VanDerWaalsContact C-N 3.35Å; N224-K227 PolarHBondContact O-N 3.39Å; N224-L228 PolarHBondContact O-N 3.47Å
225E91.4Very high90Very high86 Ų86102.4 Ų102.440%0.40252%0.522SS..Hα-helixtrans-62.1-41.6172.6-68166.2177.900111.8K221 H222 L228 S229K221-E225 WeakPolarHBondContact CE-OE1 3.4Å; K221-E225 PolarHBondContact O-N 3.01Å; K221-E225 VanDerWaalsContact O-N 3.12Å; H222-E225 IonicContact ND1-OE2 3.15Å; H222-E225 PolarHBondContact ND1-OE2 2.91Å; H222-E225 VanDerWaalsContact ND1-OE2 3.15Å; H222-E225 PolarHBondContact O-N 3.48Å; E225-L228 PolarHBondContact O-N 3.27Å; E225-S229 PolarHBondContact O-N 2.9Å; E225-S229 PolarHBondContact O-OG 3.46Å
226Q92.1Very high89.2Confident107 Ų107103 Ų10350%0.553%0.528SS..Hα-helixtrans-66.1-41176-72.6-176-15.300112H222 L223 N224 S229 L230H222-Q226 WeakPolarHBondContact O-CG 3.48Å; H222-Q226 PolarHBondContact O-N 3.43Å; L223-Q226 PolarHBondContact O-N 3.3Å; N224-Q226 VanDerWaalsContact C-N 3.35Å; Q226-S229 PolarHBondContact O-N 3.45Å; Q226-L230 WeakPolarHBondContact O-CB 3.29Å; Q226-L230 PolarHBondContact O-N 2.86Å
227K90.1Very high88.5Confident118 Ų118102.1 Ų102.151%0.51352%0.522SS..Hα-helixtrans-60.3-44.7175.2-77.8176.4179.5175.30112L223 N224 L230 V231L223-K227 WeakPolarHBondContact O-CG 3.3Å; L223-K227 PolarHBondContact O-N 2.98Å; N224-K227 PolarHBondContact O-N 3.39Å; K227-L230 PolarHBondContact O-N 3.32Å; K227-V231 WeakPolarHBondContact O-CG2 3.35Å; K227-V231 PolarHBondContact O-N 3.32Å; K227-V231 VanDerWaalsContact O-N 3.07Å
228L87.9Confident87.8Confident126 Ų126102.5 Ų102.566%0.6652%0.518SS*.Hα-helixtrans-59.4-45.4174.8-87.1156.9000111.8N224 E225 L230 V231 S232N224-L228 PolarHBondContact O-N 3.47Å; E225-L228 PolarHBondContact O-N 3.27Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 2.89Å; L228-V231 PolarHBondContact O-N 2.91Å; L228-S232 PolarHBondContact O-N 2.94Å; L228-S232 VanDerWaalsContact O-N 3.13Å
229S87.3Confident86.9Confident65 Ų65100.9 Ų100.946%0.45551%0.513SS..Hα-helixtrans-62.8-34.9176.5-53.80000112.8E225 Q226 S232 L233E225-S229 PolarHBondContact O-N 2.9Å; E225-S229 PolarHBondContact O-OG 3.46Å; Q226-S229 PolarHBondContact O-N 3.45Å; S229-S232 PolarHBondContact O-OG 3Å; S229-L233 WeakPolarHBondContact O-CB 2.97Å; S229-L233 VanDerWaalsContact O-CG 3.32Å; S229-L233 WeakPolarHBondContact O-CG 3.42Å; S229-L233 PolarHBondContact O-N 3.08Å
230L89Confident85.8Confident113 Ų11398.6 Ų98.659%0.59251%0.508SS*.Hα-helixtrans-70.5-36.6178.4-165.8144.5000111.6Q226 K227 L228 K234Q226-L230 WeakPolarHBondContact O-CB 3.29Å; Q226-L230 PolarHBondContact O-N 2.86Å; K227-L230 PolarHBondContact O-N 3.32Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 2.89Å; L230-K234 WeakPolarHBondContact O-CB 3.44Å; L230-K234 PolarHBondContact O-N 3.22Å; L230-K234 VanDerWaalsContact O-N 3.08Å
231V86.1Confident84.4Confident88 Ų88101.2 Ų101.253%0.53351%0.513SS..Hα-helixtrans-65.5-45.7174.9172.90000110.8K227 L228 L233 K234 E235K227-V231 WeakPolarHBondContact O-CG2 3.35Å; K227-V231 PolarHBondContact O-N 3.32Å; K227-V231 VanDerWaalsContact O-N 3.07Å; L228-V231 PolarHBondContact O-N 2.91Å; V231-L233 PolarHBondContact O-N 3.47Å; V231-K234 WeakPolarHBondContact O-CB 3.43Å; V231-K234 PolarHBondContact O-N 3.29Å; V231-K234 VanDerWaalsContact O-N 3.13Å; V231-E235 PolarHBondContact O-N 3.48Å
232S83.5Confident83Confident59 Ų5998.9 Ų98.941%0.41352%0.515SS..Hα-helixtrans-65.2-40.6179.163.60000112.6L228 S229 K234 E235 V236L228-S232 PolarHBondContact O-N 2.94Å; L228-S232 VanDerWaalsContact O-N 3.13Å; S229-S232 PolarHBondContact O-OG 3Å; S232-K234 PolarHBondContact O-N 3.46Å; S232-E235 PolarHBondContact O-N 2.97Å; S232-V236 WeakPolarHBondContact O-CG2 3.41Å; S232-V236 PolarHBondContact O-N 3.43Å
233L84.3Confident80.7Confident122 Ų122101.7 Ų101.764%0.63953%0.525SS*.Hα-helixtrans-62-34.4173.2-76.5169.8000112.2S229 V231 V236 E237S229-L233 WeakPolarHBondContact O-CB 2.97Å; S229-L233 VanDerWaalsContact O-CG 3.32Å; S229-L233 WeakPolarHBondContact O-CG 3.42Å; S229-L233 PolarHBondContact O-N 3.08Å; V231-L233 PolarHBondContact O-N 3.47Å; L233-V236 PolarHBondContact O-N 2.89Å; L233-E237 PolarHBondContact O-N 3.31Å
234K83.9Confident78.2Confident112 Ų112104.5 Ų104.549%0.48754%0.539SS..Hα-helixtrans-72.3-36.6178.8-162.8148.1-174.8167.60112.7L230 V231 S232 V236 E237 D238L230-K234 WeakPolarHBondContact O-CB 3.44Å; L230-K234 PolarHBondContact O-N 3.22Å; L230-K234 VanDerWaalsContact O-N 3.08Å; V231-K234 WeakPolarHBondContact O-CB 3.43Å; V231-K234 PolarHBondContact O-N 3.29Å; V231-K234 VanDerWaalsContact O-N 3.13Å; S232-K234 PolarHBondContact O-N 3.46Å; K234-V236 VanDerWaalsContact C-N 3.27Å; K234-V236 PolarHBondContact O-N 2.95Å; K234-E237 WeakPolarHBondContact O-CB 3.2Å; K234-E237 PolarHBondContact O-N 2.9Å; K234-D238 PolarHBondContact O-N 2.6Å
235E80.7Confident75.3Confident139 Ų139106.3 Ų106.365%0.6555%0.553SS**Hα-helixtrans-60.3-38.3169.7-76.1-176.9152.400111.9V231 S232 N239V231-E235 PolarHBondContact O-N 3.48Å; S232-E235 PolarHBondContact O-N 2.97Å; E235-N239 WeakPolarHBondContact O-CB 3.49Å; E235-N239 PolarHBondContact O-N 3.45Å
236V78.4Confident72.5Confident82 Ų82109.6 Ų109.650%0.49757%0.573SS.*Hα-helixtrans-66.7-42.9174.1176.90000111.2S232 L233 K234 D238 N239 L240S232-V236 WeakPolarHBondContact O-CG2 3.41Å; S232-V236 PolarHBondContact O-N 3.43Å; L233-V236 PolarHBondContact O-N 2.89Å; K234-V236 VanDerWaalsContact C-N 3.27Å; K234-V236 PolarHBondContact O-N 2.95Å; V236-D238 PolarHBondContact O-N 2.98Å; V236-N239 PolarHBondContact O-N 2.92Å; V236-L240 HydrophobicContact CG1-CD1 3.89Å; V236-L240 HydrophobicContact CG1-CG 4.37Å; V236-L240 WeakPolarHBondContact O-CB 3.47Å; V236-L240 VanDerWaalsContact O-CG 3.27Å; V236-L240 WeakPolarHBondContact O-CG 3.49Å; V236-L240 PolarHBondContact O-N 3.45Å
237E79.2Confident69.5Low83 Ų83108.9 Ų108.939%0.38858%0.581SS.*Hα-helixtrans-58.1-47.6176.4-169.4-164.4168.600111.7L233 K234 L240 K241L233-E237 PolarHBondContact O-N 3.31Å; K234-E237 WeakPolarHBondContact O-CB 3.2Å; K234-E237 PolarHBondContact O-N 2.9Å; E237-L240 PolarHBondContact O-N 2.96Å; E237-K241 HydrophobicContact CG-CD 4.39Å; E237-K241 WeakPolarHBondContact O-CB 3.47Å; E237-K241 PolarHBondContact O-N 3.07Å; E237-K241 VanDerWaalsContact OE1-CE 3.27Å; E237-K241 WeakPolarHBondContact OE1-CE 3.34Å; E237-K241 IonicContact OE1-NZ 2.64Å; E237-K241 PolarHBondContact OE1-NZ 3.45Å
238D78.1Confident67.4Low89 Ų89109 Ų10948%0.47659%0.593SS.*Hα-helixtrans-69-35.9-177.9-73-24.3000111.6K234 V236 K241 S242K234-D238 PolarHBondContact O-N 2.6Å; V236-D238 PolarHBondContact O-N 2.98Å; D238-K241 PolarHBondContact O-N 3.36Å; D238-S242 PolarHBondContact O-N 2.81Å
239N75.7Confident65.7Low101 Ų101110.2 Ų110.254%0.5460%0.596SS.*Hα-helixtrans-64.4-41.4172.6-161.8-14.3000111.7E235 V236 S242E235-N239 WeakPolarHBondContact O-CB 3.49Å; E235-N239 PolarHBondContact O-N 3.45Å; V236-N239 PolarHBondContact O-N 2.92Å; N239-S242 PolarHBondContact O-N 3.15Å; N239-S242 PolarHBondContact O-OG 3.01Å
240L71.3Confident64Low108 Ų108115 Ų11557%0.56561%0.608SS**Hα-helixtrans-67.5-39.2175.6-71.7170.1000112.5V236 E237 S242 K243V236-L240 HydrophobicContact CG1-CD1 3.89Å; V236-L240 HydrophobicContact CG1-CG 4.37Å; V236-L240 WeakPolarHBondContact O-CB 3.47Å; V236-L240 VanDerWaalsContact O-CG 3.27Å; V236-L240 WeakPolarHBondContact O-CG 3.49Å; V236-L240 PolarHBondContact O-N 3.45Å; E237-L240 PolarHBondContact O-N 2.96Å; L240-S242 VanDerWaalsContact C-N 3.26Å; L240-S242 PolarHBondContact O-N 3.25Å; L240-K243 PolarHBondContact O-N 3.35Å; L240-K243 VanDerWaalsContact O-N 3.17Å
241K65Low62Low123 Ų123117.1 Ų117.154%0.53562%0.619SS.*Hα-helixtrans-62.7-30.6177-87172.8170.4164.20113.3E237 D238 K243E237-K241 HydrophobicContact CG-CD 4.39Å; E237-K241 WeakPolarHBondContact O-CB 3.47Å; E237-K241 PolarHBondContact O-N 3.07Å; E237-K241 VanDerWaalsContact OE1-CE 3.27Å; E237-K241 WeakPolarHBondContact OE1-CE 3.34Å; E237-K241 IonicContact OE1-NZ 2.64Å; E237-K241 PolarHBondContact OE1-NZ 3.45Å; D238-K241 PolarHBondContact O-N 3.36Å; K241-K243 PolarHBondContact O-N 3.43Å
242S62.3Low60.7Low90 Ų90120.3 Ų120.363%0.62963%0.626SS**THydrogen-bonded Turntrans-66.6-15.917777.30000114.2D238 N239 L240D238-S242 PolarHBondContact O-N 2.81Å; N239-S242 PolarHBondContact O-N 3.15Å; N239-S242 PolarHBondContact O-OG 3.01Å; L240-S242 VanDerWaalsContact C-N 3.26Å; L240-S242 PolarHBondContact O-N 3.25Å
243K45.1Very low59.8Low162 Ų162122 Ų12270%0.70463%0.63SS**THydrogen-bonded Turntrans-101.48.1-174-67.1-173.8179.3-178.40115.1L240 K241L240-K243 PolarHBondContact O-N 3.35Å; L240-K243 VanDerWaalsContact O-N 3.17Å; K241-K243 PolarHBondContact O-N 3.43Å
244I40.8Very low58.7Low142 Ų142123.2 Ų123.273%0.72863%0.627SS**  trans-113.8113.8-174.1-59.3178000110.4
245V28.5Very low57.8Low117 Ų117125.6 Ų125.671%0.70964%0.638SS**  trans-102.9145.7-178.9168.40000111
246D33.5Very low57.6Low155 Ų155123.5 Ų123.583%0.82963%0.631SS**  trans64.8140.1161.4-70.7-22.4000123.2
247S28.7Very low57.6Low93 Ų93126.2 Ų126.265%0.6564%0.636SS**  trans130.7137.4133.8-161.30000114.1E249S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.27Å
248P47.2Very low57.6Low120 Ų120126.1 Ų126.178%0.77964%0.637SS**SBendtrans-90.848.4-15537.8-33.1000113.8K250P248-K250 PolarHBondContact O-N 3.47Å
249E51.3Low57.8Low152 Ų152129.5 Ų129.571%0.7165%0.647SS**  trans-80.97.5160.4-98.6-169.815300112.7S247 L251 K252 N253S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.27Å; E249-L251 PolarHBondContact O-N 2.99Å; E249-L251 VanDerWaalsContact O-N 3.15Å; E249-K252 PolarHBondContact O-N 3.31Å; E249-N253 PolarHBondContact O-N 3.13Å
250K51.2Low58.2Low166 Ų166126 Ų12672%0.72264%0.635SS**Hα-helixtrans-59.3-24.3-178.2-71.6-176.9179.6174.20114P248 Y254P248-K250 PolarHBondContact O-N 3.47Å; K250-Y254 WeakPolarHBondContact O-CB 3.34Å; K250-Y254 PolarHBondContact O-N 2.93Å
251L47.3Very low58.8Low157 Ų157124.1 Ų124.182%0.82263%0.628SS**Hα-helixtrans-76.6-38.1-177.5-12599.8000113.5E249 Y254 K255E249-L251 PolarHBondContact O-N 2.99Å; E249-L251 VanDerWaalsContact O-N 3.15Å; L251-Y254 PolarHBondContact O-N 3.23Å; L251-K255 PolarHBondContact O-N 2.93Å
252K58.8Low59.7Low154 Ų154121.4 Ų121.467%0.6762%0.622SS**Hα-helixtrans-73.4-43174.9-170176.4179.2-176.20110.5E249 Y254 K255 D256E249-K252 PolarHBondContact O-N 3.31Å; K252-Y254 VanDerWaalsContact C-N 3.25Å; K252-Y254 PolarHBondContact O-N 3.34Å; K252-K255 PolarHBondContact O-N 3.45Å; K252-K255 VanDerWaalsContact O-N 3.12Å; K252-D256 PolarHBondContact O-N 3.31Å
253N65.2Low61Low94 Ų94122.4 Ų122.450%0.50362%0.616SS.*Hα-helixtrans-61.2-33.1173.2-123.5-22.1000112.3E249 K257E249-N253 PolarHBondContact O-N 3.13Å; N253-K257 WeakPolarHBondContact O-CB 3.46Å; N253-K257 VanDerWaalsContact O-CG 3.22Å; N253-K257 WeakPolarHBondContact O-CG 3.31Å; N253-K257 PolarHBondContact O-N 2.98Å
254Y60.7Low63Low148 Ų148122.1 Ų122.158%0.5862%0.615SS**Hα-helixtrans-68.3-39.3174.4-174.8-97.3000112.1K250 L251 K252 K257 M258K250-Y254 WeakPolarHBondContact O-CB 3.34Å; K250-Y254 PolarHBondContact O-N 2.93Å; L251-Y254 PolarHBondContact O-N 3.23Å; K252-Y254 VanDerWaalsContact C-N 3.25Å; K252-Y254 PolarHBondContact O-N 3.34Å; Y254-K257 PolarHBondContact O-N 3.46Å; Y254-M258 HydrophobicContact CE1-CE 3.64Å; Y254-M258 HydrophobicContact CE2-CE 4.24Å; Y254-M258 VanDerWaalsContact CZ-CE 3.42Å; Y254-M258 VanDerWaalsContact O-CB 3.28Å; Y254-M258 WeakPolarHBondContact O-CB 3.43Å; Y254-M258 PolarHBondContact O-N 3.09Å; Y254-M258 WeakPolarHBondContact OH-CE 3.35Å
255K65.4Low65.3Low163 Ų163120.8 Ų120.871%0.70961%0.609SS**Hα-helixtrans-67.5-41.7177-163.5177.7-178.2178.80111.8L251 K252 M258 K259L251-K255 PolarHBondContact O-N 2.93Å; K252-K255 PolarHBondContact O-N 3.45Å; K252-K255 VanDerWaalsContact O-N 3.12Å; K255-M258 PolarHBondContact O-N 2.91Å; K255-K259 WeakPolarHBondContact O-CB 3.25Å; K255-K259 PolarHBondContact O-N 3.32Å
256D76.9Confident68.2Low94 Ų94122.8 Ų122.850%0.50360%0.604SS.*Hα-helixtrans-69.9-38175-70.7-30.6000111.9K252 K259 G260K252-D256 PolarHBondContact O-N 3.31Å; D256-K259 PolarHBondContact O-N 3.5Å; D256-G260 PolarHBondContact O-N 2.98Å
257K77.7Confident70.9Confident140 Ų140117.4 Ų117.461%0.60958%0.579SS**Hα-helixtrans-60.4-44.8168.9-83.3179.7178.7-178.60111.4N253 Y254 G260 T261N253-K257 WeakPolarHBondContact O-CB 3.46Å; N253-K257 VanDerWaalsContact O-CG 3.22Å; N253-K257 WeakPolarHBondContact O-CG 3.31Å; N253-K257 PolarHBondContact O-N 2.98Å; Y254-K257 PolarHBondContact O-N 3.46Å; K257-G260 CarbonylContact O-C 3.38Å; K257-G260 PolarHBondContact O-N 2.92Å; K257-T261 WeakPolarHBondContact O-CB 3.44Å; K257-T261 PolarHBondContact O-N 3.39Å; K257-T261 PolarHBondContact O-OG1 3.26Å
258M79Confident73.9Confident80 Ų80115.2 Ų115.239%0.39457%0.566SS.*Hα-helixtrans-64.5-42.9179.8-168.463.871.200110.8Y254 K255 G260 T261 V262Y254-M258 HydrophobicContact CE1-CE 3.64Å; Y254-M258 HydrophobicContact CE2-CE 4.24Å; Y254-M258 VanDerWaalsContact CZ-CE 3.42Å; Y254-M258 VanDerWaalsContact O-CB 3.28Å; Y254-M258 WeakPolarHBondContact O-CB 3.43Å; Y254-M258 PolarHBondContact O-N 3.09Å; Y254-M258 WeakPolarHBondContact OH-CE 3.35Å; K255-M258 PolarHBondContact O-N 2.91Å; M258-G260 VanDerWaalsContact C-N 3.33Å; M258-G260 PolarHBondContact O-N 3.43Å; M258-T261 PolarHBondContact O-N 3.44Å; M258-V262 WeakPolarHBondContact O-CG2 3.27Å; M258-V262 PolarHBondContact O-N 3.49Å
259K81.4Confident76.1Confident160 Ų160117.7 Ų117.770%0.69656%0.56SS**Hα-helixtrans-61.3-42.8173.6-162.4179.2-177-1750111.2K255 D256 Q263K255-K259 WeakPolarHBondContact O-CB 3.25Å; K255-K259 PolarHBondContact O-N 3.32Å; D256-K259 PolarHBondContact O-N 3.5Å; K259-Q263 WeakPolarHBondContact O-CB 3.36Å; K259-Q263 PolarHBondContact O-N 3.23Å
260G84.9Confident78.1Confident29 Ų29115.7 Ų115.730%0.29955%0.55SS.*Hα-helixtrans-62.8-39.6172.900000113.3D256 K257 M258 Q263 K264D256-G260 PolarHBondContact O-N 2.98Å; K257-G260 CarbonylContact O-C 3.38Å; K257-G260 PolarHBondContact O-N 2.92Å; M258-G260 VanDerWaalsContact C-N 3.33Å; M258-G260 PolarHBondContact O-N 3.43Å; G260-Q263 PolarHBondContact O-N 3.23Å; G260-K264 WeakPolarHBondContact O-CB 3.47Å; G260-K264 WeakPolarHBondContact O-CG 3.47Å; G260-K264 PolarHBondContact O-N 3.21Å
261T84.2Confident80.1Confident67 Ų67114.2 Ų114.241%0.41154%0.544SS..Hα-helixtrans-68.5-44.9177.3-610000111K257 M258 Q263 K264 L265K257-T261 WeakPolarHBondContact O-CB 3.44Å; K257-T261 PolarHBondContact O-N 3.39Å; K257-T261 PolarHBondContact O-OG1 3.26Å; M258-T261 PolarHBondContact O-N 3.44Å; T261-Q263 VanDerWaalsContact C-N 3.33Å; T261-Q263 PolarHBondContact O-N 3.01Å; T261-K264 PolarHBondContact O-N 3.1Å; T261-L265 HydrophobicContact CG2-CD1 4.06Å; T261-L265 HydrophobicContact CG2-CG 4.37Å; T261-L265 WeakPolarHBondContact O-CB 3.13Å; T261-L265 VanDerWaalsContact O-CG 3.3Å; T261-L265 WeakPolarHBondContact O-CG 3.46Å; T261-L265 PolarHBondContact O-N 3.06Å
262V84.4Confident82.2Confident66 Ų66111.2 Ų111.240%0.453%0.532SS..Hα-helixtrans-61.2-43.7175.6171.50000110.5M258 L265 R266M258-V262 WeakPolarHBondContact O-CG2 3.27Å; M258-V262 PolarHBondContact O-N 3.49Å; V262-L265 PolarHBondContact O-N 3.24Å; V262-R266 WeakPolarHBondContact O-CG 3.38Å; V262-R266 PolarHBondContact O-N 3.35Å
263Q88.5Confident83.8Confident111 Ų111108.4 Ų108.452%0.51952%0.522SS..Hα-helixtrans-63.7-43.9175.9-169.664.422.200111.6K259 G260 T261 L265 R266 S267K259-Q263 WeakPolarHBondContact O-CB 3.36Å; K259-Q263 PolarHBondContact O-N 3.23Å; G260-Q263 PolarHBondContact O-N 3.23Å; T261-Q263 VanDerWaalsContact C-N 3.33Å; T261-Q263 PolarHBondContact O-N 3.01Å; Q263-L265 VanDerWaalsContact C-N 3.33Å; Q263-L265 PolarHBondContact O-N 3.25Å; Q263-R266 PolarHBondContact O-N 3.42Å; Q263-S267 PolarHBondContact O-N 2.9Å; Q263-S267 PolarHBondContact O-OG 2.9Å
264K87.9Confident85.2Confident157 Ų157109.9 Ų109.968%0.68353%0.526SS*.Hα-helixtrans-60-41.4174.6-77.6172.8-177.9-176.70112.2G260 T261 A268G260-K264 WeakPolarHBondContact O-CB 3.47Å; G260-K264 WeakPolarHBondContact O-CG 3.47Å; G260-K264 PolarHBondContact O-N 3.21Å; T261-K264 PolarHBondContact O-N 3.1Å; K264-A268 WeakPolarHBondContact O-CB 3.27Å; K264-A268 PolarHBondContact O-N 3.26Å
265L88.6Confident86.7Confident113 Ų113108.1 Ų108.159%0.59252%0.523SS*.Hα-helixtrans-67.4-38.8177.5-74.2172.2000111.7T261 V262 Q263 A268 R269T261-L265 HydrophobicContact CG2-CD1 4.06Å; T261-L265 HydrophobicContact CG2-CG 4.37Å; T261-L265 WeakPolarHBondContact O-CB 3.13Å; T261-L265 VanDerWaalsContact O-CG 3.3Å; T261-L265 WeakPolarHBondContact O-CG 3.46Å; T261-L265 PolarHBondContact O-N 3.06Å; V262-L265 PolarHBondContact O-N 3.24Å; Q263-L265 VanDerWaalsContact C-N 3.33Å; Q263-L265 PolarHBondContact O-N 3.25Å; L265-A268 PolarHBondContact O-N 3.15Å; L265-R269 WeakPolarHBondContact O-CB 3.41Å; L265-R269 PolarHBondContact O-N 3.33Å
266R89.7Confident88Confident159 Ų159106.9 Ų106.960%0.652%0.515SS*.Hα-helixtrans-62.7-50.5173.1-75.3-176.9-176.6-1720.1111.6V262 Q263 A268 R269 E270V262-R266 WeakPolarHBondContact O-CG 3.38Å; V262-R266 PolarHBondContact O-N 3.35Å; Q263-R266 PolarHBondContact O-N 3.42Å; R266-A268 VanDerWaalsContact C-N 3.27Å; R266-A268 PolarHBondContact O-N 3.41Å; R266-R269 WeakPolarHBondContact O-CB 3.49Å; R266-R269 PolarHBondContact O-N 3Å; R266-R269 VanDerWaalsContact O-N 3.12Å; R266-E270 PolarHBondContact O-N 3.48Å
267S90.7Very high88.8Confident43 Ų43104.6 Ų104.630%0.30150%0.503SS..Hα-helixtrans-63.5-32.8176.7-59.70000112.5Q263 K271Q263-S267 PolarHBondContact O-N 2.9Å; Q263-S267 PolarHBondContact O-OG 2.9Å; S267-K271 VanDerWaalsContact O-CG 3.26Å; S267-K271 WeakPolarHBondContact O-CG 3.34Å; S267-K271 PolarHBondContact O-N 3.25Å; S267-K271 VanDerWaalsContact O-N 3.1Å
268A91.6Very high89.5Confident46 Ų46103 Ų10338%0.3850%0.5SS..Hα-helixtrans-69-40.8172.800000111.7K264 L265 R266 K271 V272K264-A268 WeakPolarHBondContact O-CB 3.27Å; K264-A268 PolarHBondContact O-N 3.26Å; L265-A268 PolarHBondContact O-N 3.15Å; R266-A268 VanDerWaalsContact C-N 3.27Å; R266-A268 PolarHBondContact O-N 3.41Å; A268-K271 PolarHBondContact O-N 2.95Å; A268-V272 WeakPolarHBondContact O-CG2 3.39Å; A268-V272 PolarHBondContact O-N 3.15Å
269R92.1Very high90.1Very high173 Ų173106.4 Ų106.465%0.65351%0.509SS*.Hα-helixtrans-61.8-45.5175.2-165.4-152.196.9178.27.1111.5L265 R266 V272 M273L265-R269 WeakPolarHBondContact O-CB 3.41Å; L265-R269 PolarHBondContact O-N 3.33Å; R266-R269 WeakPolarHBondContact O-CB 3.49Å; R266-R269 PolarHBondContact O-N 3Å; R266-R269 VanDerWaalsContact O-N 3.12Å; R269-V272 PolarHBondContact O-N 2.91Å; R269-M273 WeakPolarHBondContact O-CB 3.3Å; R269-M273 PolarHBondContact O-N 3.11Å
270E93.1Very high90.7Very high109 Ų109103.3 Ų103.351%0.50949%0.493SS..Hα-helixtrans-59.3-46.9175.7-80.7167.2172.600111.1R266 V272 M273 E274R266-E270 PolarHBondContact O-N 3.48Å; E270-V272 VanDerWaalsContact C-N 3.34Å; E270-V272 PolarHBondContact O-N 3.45Å; E270-M273 WeakPolarHBondContact O-CB 3.33Å; E270-M273 PolarHBondContact O-N 2.85Å; E270-M273 VanDerWaalsContact O-N 3.11Å; E270-E274 PolarHBondContact O-N 3.44Å
271K93Very high91Very high136 Ų136106.3 Ų106.359%0.59150%0.502SS*.Hα-helixtrans-59.9-40175.4-73.9175.2-178.9-172.20113.5S267 A268 M273 Q275S267-K271 VanDerWaalsContact O-CG 3.26Å; S267-K271 WeakPolarHBondContact O-CG 3.34Å; S267-K271 PolarHBondContact O-N 3.25Å; S267-K271 VanDerWaalsContact O-N 3.1Å; A268-K271 PolarHBondContact O-N 2.95Å; K271-M273 VanDerWaalsContact C-N 3.35Å; K271-Q275 WeakPolarHBondContact O-CB 3.47Å; K271-Q275 WeakPolarHBondContact O-CG 3.41Å; K271-Q275 PolarHBondContact O-N 3.32Å
272V92.7Very high91.3Very high93 Ų93106.1 Ų106.156%0.56450%0.504SS*.Hα-helixtrans-67.6-37.8176171.20000110.8A268 R269 E270 Q275 Y276A268-V272 WeakPolarHBondContact O-CG2 3.39Å; A268-V272 PolarHBondContact O-N 3.15Å; R269-V272 PolarHBondContact O-N 2.91Å; E270-V272 VanDerWaalsContact C-N 3.34Å; E270-V272 PolarHBondContact O-N 3.45Å; V272-Q275 PolarHBondContact O-N 3.25Å; V272-Y276 WeakPolarHBondContact O-CB 3.38Å; V272-Y276 PolarHBondContact O-N 3.1Å
273M92.8Very high91.7Very high96 Ų96107 Ų10747%0.47351%0.509SS..Hα-helixtrans-65.6-46.5176-160.987-175.700111.3R269 E270 K271 Q275 Y276 D277R269-M273 WeakPolarHBondContact O-CB 3.3Å; R269-M273 PolarHBondContact O-N 3.11Å; E270-M273 WeakPolarHBondContact O-CB 3.33Å; E270-M273 PolarHBondContact O-N 2.85Å; E270-M273 VanDerWaalsContact O-N 3.11Å; K271-M273 VanDerWaalsContact C-N 3.35Å; M273-Q275 VanDerWaalsContact C-N 3.33Å; M273-Q275 PolarHBondContact O-N 2.89Å; M273-Y276 WeakPolarHBondContact O-CB 3.07Å; M273-Y276 PolarHBondContact O-N 3.34Å; M273-Y276 VanDerWaalsContact O-N 3.15Å; M273-D277 PolarHBondContact O-N 2.92Å
274E93.1Very high91.8Very high125 Ų125106.7 Ų106.758%0.58451%0.511SS*.Hα-helixtrans-58.8-43.7174.4-74.8174.1178.500111.4E270 D277 I278E270-E274 PolarHBondContact O-N 3.44Å; E274-D277 PolarHBondContact O-N 3.23Å; E274-I278 WeakPolarHBondContact O-CD1 3.33Å; E274-I278 VanDerWaalsContact O-CG1 3.26Å; E274-I278 WeakPolarHBondContact O-CG1 3.37Å; E274-I278 PolarHBondContact O-N 2.95Å
275Q93.3Very high92Very high111 Ų111102.2 Ų102.252%0.51950%0.499SS..Hα-helixtrans-63.7-40.9174.6-78-174.5-1400112.5K271 V272 M273 I278 Y279K271-Q275 WeakPolarHBondContact O-CB 3.47Å; K271-Q275 WeakPolarHBondContact O-CG 3.41Å; K271-Q275 PolarHBondContact O-N 3.32Å; V272-Q275 PolarHBondContact O-N 3.25Å; M273-Q275 VanDerWaalsContact C-N 3.33Å; M273-Q275 PolarHBondContact O-N 2.89Å; Q275-I278 PolarHBondContact O-N 2.98Å; Q275-Y279 HydrophobicContact CB-CE2 4.33Å; Q275-Y279 WeakPolarHBondContact O-CD2 3.37Å; Q275-Y279 PolarHBondContact O-N 3.38Å
276Y92.1Very high92.2Very high136 Ų136101.5 Ų101.553%0.53350%0.495SS..Hα-helixtrans-62.2-44.2176.1173.1-95.7000111.6V272 M273 Y279 R280V272-Y276 WeakPolarHBondContact O-CB 3.38Å; V272-Y276 PolarHBondContact O-N 3.1Å; M273-Y276 WeakPolarHBondContact O-CB 3.07Å; M273-Y276 PolarHBondContact O-N 3.34Å; M273-Y276 VanDerWaalsContact O-N 3.15Å; Y276-Y279 PolarHBondContact O-N 3.08Å; Y276-R280 WeakPolarHBondContact O-CB 3.07Å; Y276-R280 PolarHBondContact O-N 3Å
277D93Very high92.4Very high47 Ų4797.9 Ų97.925%0.25149%0.492SS..Hα-helixtrans-62.7-44177.1-71.9-36.1000111M273 E274 Y279 R280 D281M273-D277 PolarHBondContact O-N 2.92Å; E274-D277 PolarHBondContact O-N 3.23Å; D277-Y279 VanDerWaalsContact C-N 3.34Å; D277-Y279 PolarHBondContact O-N 2.96Å; D277-R280 PolarHBondContact O-N 3.39Å; D277-R280 IonicContact OD1-CZ 3.66Å; D277-R280 IonicContact OD1-NH1 2.72Å; D277-R280 PolarHBondContact OD1-NH1 3.24Å; D277-R280 IonicContact OD1-NH2 3.32Å; D277-R280 PolarHBondContact OD1-NH2 3.16Å; D277-D281 WeakPolarHBondContact O-CB 3.42Å; D277-D281 PolarHBondContact O-N 3.31Å
278I92.8Very high92.5Very high106 Ų10699.9 Ų99.954%0.54451%0.506SS..Hα-helixtrans-59.6-43174.5-67.7164.5000111.7E274 Q275 S282E274-I278 WeakPolarHBondContact O-CD1 3.33Å; E274-I278 VanDerWaalsContact O-CG1 3.26Å; E274-I278 WeakPolarHBondContact O-CG1 3.37Å; E274-I278 PolarHBondContact O-N 2.95Å; Q275-I278 PolarHBondContact O-N 2.98Å; I278-S282 WeakPolarHBondContact O-CB 3.29Å; I278-S282 PolarHBondContact O-N 3.45Å; I278-S282 PolarHBondContact O-OG 3.01Å
279Y92.2Very high92.5Very high151 Ų151100.6 Ų100.659%0.59251%0.508SS*.Hα-helixtrans-69.4-40177.9-71.7-45.8000112.5Q275 Y276 D277 S282 V283Q275-Y279 HydrophobicContact CB-CE2 4.33Å; Q275-Y279 WeakPolarHBondContact O-CD2 3.37Å; Q275-Y279 PolarHBondContact O-N 3.38Å; Y276-Y279 PolarHBondContact O-N 3.08Å; D277-Y279 VanDerWaalsContact C-N 3.34Å; D277-Y279 PolarHBondContact O-N 2.96Å; Y279-S282 PolarHBondContact O-N 3.23Å; Y279-V283 VanDerWaalsContact O-CG2 3.3Å; Y279-V283 WeakPolarHBondContact O-CG2 3.5Å; Y279-V283 PolarHBondContact O-N 3.5Å
280R93.2Very high92.6Very high96 Ų9698.2 Ų98.236%0.36250%0.504SS..Hα-helixtrans-59.8-50.7175.2-176.1-165.865.1-131.2-14110.1Y276 D277 S282 V283 D284Y276-R280 WeakPolarHBondContact O-CB 3.07Å; Y276-R280 PolarHBondContact O-N 3Å; D277-R280 PolarHBondContact O-N 3.39Å; D277-R280 IonicContact OD1-CZ 3.66Å; D277-R280 IonicContact OD1-NH1 2.72Å; D277-R280 PolarHBondContact OD1-NH1 3.24Å; D277-R280 IonicContact OD1-NH2 3.32Å; D277-R280 PolarHBondContact OD1-NH2 3.16Å; R280-S282 PolarHBondContact O-N 3.38Å; R280-V283 PolarHBondContact O-N 2.93Å; R280-D284 PolarHBondContact O-N 3.36Å
281D91.6Very high92.7Very high91 Ų9198.2 Ų98.249%0.48751%0.507SS..Hα-helixtrans-62.8-33.8-179.7-62.7-3.9000111.4D277 C285D277-D281 WeakPolarHBondContact O-CB 3.42Å; D277-D281 PolarHBondContact O-N 3.31Å; D281-C285 PolarHBondContact O-N 3.2Å
282S91.1Very high92.8Very high63 Ų6396.6 Ų96.644%0.44150%0.501SS..Hα-helixtrans-70.5-30.4173.2-58.40000113.5I278 Y279 R280 C285I278-S282 WeakPolarHBondContact O-CB 3.29Å; I278-S282 PolarHBondContact O-N 3.45Å; I278-S282 PolarHBondContact O-OG 3.01Å; Y279-S282 PolarHBondContact O-N 3.23Å; R280-S282 PolarHBondContact O-N 3.38Å; S282-C285 PolarHBondContact O-SG 3.38Å
283V92.1Very high92.9Very high86 Ų8696.1 Ų96.152%0.52150%0.498SS..Hα-helixtrans-79.1-37.7176.2168.60000110.5Y279 R280 C285 L286Y279-V283 VanDerWaalsContact O-CG2 3.3Å; Y279-V283 WeakPolarHBondContact O-CG2 3.5Å; Y279-V283 PolarHBondContact O-N 3.5Å; R280-V283 PolarHBondContact O-N 2.93Å; V283-C285 PolarHBondContact O-N 2.94Å; V283-L286 HydrophobicContact CB-CD1 4.47Å; V283-L286 HydrophobicContact CG1-CD1 4.39Å; V283-L286 HydrophobicContact CG2-CD1 4.43Å; V283-L286 VanDerWaalsContact O-CB 3.3Å; V283-L286 WeakPolarHBondContact O-CB 3.39Å; V283-L286 PolarHBondContact O-N 3.22Å
284D91.3Very high93Very high104 Ų10496.4 Ų96.456%0.55650%0.499SS*.Hα-helixtrans-64.4-22.8-179.8-73.3-16.3000112.8R280 P287R280-D284 PolarHBondContact O-N 3.36Å; D284-P287 WeakPolarHBondContact O-CD 3.25Å
285C91.4Very high93.2Very high62 Ų6295.8 Ų95.842%0.41950%0.499SS..THydrogen-bonded Turntrans-83.4-16174.477.40000114.2D281 S282 V283 S288 C289D281-C285 PolarHBondContact O-N 3.2Å; S282-C285 PolarHBondContact O-SG 3.38Å; V283-C285 PolarHBondContact O-N 2.94Å; C285-S288 PolarHBondContact O-N 3.48Å; C285-C289 PolarHBondContact O-N 2.9Å
286L92.7Very high93.3Very high99 Ų9997.2 Ų97.252%0.51850%0.5SS..Hα-helixtrans-58.8-40.2-177.4-69.3172.6000114.4V283 S288 C289 Q290V283-L286 HydrophobicContact CB-CD1 4.47Å; V283-L286 HydrophobicContact CG1-CD1 4.39Å; V283-L286 HydrophobicContact CG2-CD1 4.43Å; V283-L286 VanDerWaalsContact O-CB 3.3Å; V283-L286 WeakPolarHBondContact O-CB 3.39Å; V283-L286 PolarHBondContact O-N 3.22Å; L286-S288 VanDerWaalsContact C-N 3.28Å; L286-S288 PolarHBondContact O-N 3.43Å; L286-C289 WeakPolarHBondContact O-CB 3.5Å; L286-C289 PolarHBondContact O-N 2.87Å; L286-Q290 WeakPolarHBondContact O-CB 3.48Å; L286-Q290 PolarHBondContact O-N 3.34Å
287P94Very high93.4Very high82 Ų8296.8 Ų96.853%0.53250%0.503SS..Hα-helixtrans-60.2-36.6177.1-25.435.7000113.2D284 Q290 L291D284-P287 WeakPolarHBondContact O-CD 3.25Å; P287-Q290 PolarHBondContact O-N 2.96Å; P287-L291 PolarHBondContact O-N 3.27Å
288S93Very high93.5Very high86 Ų86101.2 Ų101.260%0.60152%0.52SS*.Hα-helixtrans-67.4-45176.5-64.70000110.9C285 L286 Q290 L291 E292C285-S288 PolarHBondContact O-N 3.48Å; L286-S288 VanDerWaalsContact C-N 3.28Å; L286-S288 PolarHBondContact O-N 3.43Å; S288-Q290 VanDerWaalsContact C-N 3.3Å; S288-Q290 PolarHBondContact O-N 2.93Å; S288-L291 PolarHBondContact O-N 3.3Å; S288-E292 PolarHBondContact O-N 2.65Å
289C92.8Very high93.7Very high61 Ų61102.5 Ų102.541%0.41252%0.522SS..Hα-helixtrans-59.2-41173.5-65.10000111.9C285 L286 E292 V293C285-C289 PolarHBondContact O-N 2.9Å; L286-C289 WeakPolarHBondContact O-CB 3.5Å; L286-C289 PolarHBondContact O-N 2.87Å; C289-E292 PolarHBondContact O-N 3.46Å; C289-V293 WeakPolarHBondContact O-CG2 3.45Å; C289-V293 PolarHBondContact O-N 2.96Å
290Q93.8Very high93.9Very high123 Ų12399.1 Ų99.158%0.57552%0.52SS*.Hα-helixtrans-64.1-41177.9-178.2176-14.300112L286 P287 S288 V293 Q294L286-Q290 WeakPolarHBondContact O-CB 3.48Å; L286-Q290 PolarHBondContact O-N 3.34Å; P287-Q290 PolarHBondContact O-N 2.96Å; S288-Q290 VanDerWaalsContact C-N 3.3Å; S288-Q290 PolarHBondContact O-N 2.93Å; Q290-V293 PolarHBondContact O-N 2.99Å; Q290-Q294 WeakPolarHBondContact O-CG 3.33Å; Q290-Q294 PolarHBondContact O-N 3.22Å
291L95.1Very high94Very high108 Ų10899.8 Ų99.857%0.56553%0.527SS*.Hα-helixtrans-67-39178-155.1128.1000111.3P287 S288 Q294 L295P287-L291 PolarHBondContact O-N 3.27Å; S288-L291 PolarHBondContact O-N 3.3Å; L291-Q294 PolarHBondContact O-N 2.99Å; L291-L295 HydrophobicContact CD2-CD1 4.24Å; L291-L295 WeakPolarHBondContact O-CG 3.44Å; L291-L295 PolarHBondContact O-N 2.81Å
292E94.7Very high94.2Very high103 Ų10399 Ų9948%0.48152%0.523SS..Hα-helixtrans-64.6-42.7174.1-173171-167.300112.1S288 C289 Q294 L295 Y296S288-E292 PolarHBondContact O-N 2.65Å; C289-E292 PolarHBondContact O-N 3.46Å; E292-Q294 VanDerWaalsContact C-N 3.32Å; E292-Q294 PolarHBondContact O-N 2.87Å; E292-L295 WeakPolarHBondContact O-CB 3.35Å; E292-L295 PolarHBondContact O-N 3.04Å; E292-Y296 HydrophobicContact CG-CD2 3.82Å; E292-Y296 HydrophobicContact CG-CE2 3.49Å; E292-Y296 VanDerWaalsContact CG-CE2 3.49Å; E292-Y296 WeakPolarHBondContact O-CD2 3.39Å; E292-Y296 PolarHBondContact O-N 2.98Å; E292-Y296 WeakPolarHBondContact OE1-CE2 3.34Å
293V94.7Very high94.4Very high82 Ų82101.2 Ų101.250%0.49753%0.53SS..Hα-helixtrans-60-41173.7169.40000111.6C289 Q290 Y296 Q297C289-V293 WeakPolarHBondContact O-CG2 3.45Å; C289-V293 PolarHBondContact O-N 2.96Å; Q290-V293 PolarHBondContact O-N 2.99Å; V293-Y296 PolarHBondContact O-N 3.42Å; V293-Q297 WeakPolarHBondContact O-CG 3.35Å; V293-Q297 PolarHBondContact O-N 3.33Å
294Q95.7Very high94.6Very high103 Ų10399.5 Ų99.548%0.48152%0.524SS..Hα-helixtrans-65-39.1176.1-74178.8-700112.4Q290 L291 E292 Q297 K298Q290-Q294 WeakPolarHBondContact O-CG 3.33Å; Q290-Q294 PolarHBondContact O-N 3.22Å; L291-Q294 PolarHBondContact O-N 2.99Å; E292-Q294 VanDerWaalsContact C-N 3.32Å; E292-Q294 PolarHBondContact O-N 2.87Å; Q294-Q297 PolarHBondContact O-N 2.87Å; Q294-K298 PolarHBondContact O-N 3.43Å
295L96.1Very high94.8Very high111 Ų11197.6 Ų97.658%0.58151%0.514SS*.Hα-helixtrans-62.8-43.8174-72.5171000111.5L291 E292 K298 K299L291-L295 HydrophobicContact CD2-CD1 4.24Å; L291-L295 WeakPolarHBondContact O-CG 3.44Å; L291-L295 PolarHBondContact O-N 2.81Å; E292-L295 WeakPolarHBondContact O-CB 3.35Å; E292-L295 PolarHBondContact O-N 3.04Å; L295-K298 PolarHBondContact O-N 3.12Å; L295-K299 WeakPolarHBondContact O-CB 3.26Å; L295-K299 PolarHBondContact O-N 3.44Å
296Y95.3Very high95Very high142 Ų14298.4 Ų98.456%0.55751%0.514SS*.Hα-helixtrans-65.7-37.7175.2-78.7-63.9000112.7E292 V293 K299 S300E292-Y296 HydrophobicContact CG-CD2 3.82Å; E292-Y296 HydrophobicContact CG-CE2 3.49Å; E292-Y296 VanDerWaalsContact CG-CE2 3.49Å; E292-Y296 WeakPolarHBondContact O-CD2 3.39Å; E292-Y296 PolarHBondContact O-N 2.98Å; E292-Y296 WeakPolarHBondContact OE1-CE2 3.34Å; V293-Y296 PolarHBondContact O-N 3.42Å; Y296-K299 PolarHBondContact O-N 3.29Å; Y296-S300 WeakPolarHBondContact O-CB 3.46Å; Y296-S300 PolarHBondContact O-N 3.22Å
297Q94.9Very high95.2Very high127 Ų127103.2 Ų103.259%0.59353%0.526SS*.Hα-helixtrans-61-46.4173.3-80.8179.8-24.800111.6V293 Q294 S300 Q301V293-Q297 WeakPolarHBondContact O-CG 3.35Å; V293-Q297 PolarHBondContact O-N 3.33Å; Q294-Q297 PolarHBondContact O-N 2.87Å; Q297-S300 WeakPolarHBondContact O-CB 3.22Å; Q297-S300 PolarHBondContact O-N 3.01Å; Q297-Q301 PolarHBondContact O-N 3.43Å
298K95.8Very high95.3Very high139 Ų139106.3 Ų106.360%0.60453%0.533SS*.Hα-helixtrans-60.6-46.4176.3-174.5178.1178-179.30111.6Q294 L295 S300 Q301 D302Q294-K298 PolarHBondContact O-N 3.43Å; L295-K298 PolarHBondContact O-N 3.12Å; K298-S300 VanDerWaalsContact C-N 3.3Å; K298-S300 PolarHBondContact O-N 3.43Å; K298-Q301 WeakPolarHBondContact O-CB 3.45Å; K298-Q301 PolarHBondContact O-N 3.36Å; K298-Q301 VanDerWaalsContact O-N 3.15Å; K298-D302 PolarHBondContact O-N 3.28Å
299K96.4Very high95.5Very high134 Ų134108 Ų10858%0.58353%0.529SS*.Hα-helixtrans-61.6-37.7177.4-170171.8-176.3179.40112.4L295 Y296 L303L295-K299 WeakPolarHBondContact O-CB 3.26Å; L295-K299 PolarHBondContact O-N 3.44Å; Y296-K299 PolarHBondContact O-N 3.29Å; K299-L303 WeakPolarHBondContact O-CB 3.46Å; K299-L303 VanDerWaalsContact O-CG 3.28Å; K299-L303 WeakPolarHBondContact O-CG 3.07Å; K299-L303 PolarHBondContact O-N 3.38Å
300S95.6Very high95.6Very high79 Ų79110.8 Ų110.855%0.55254%0.539SS*.Hα-helixtrans-64.8-41.3174.7-168.70000111.8Y296 Q297 K298 L303 A304Y296-S300 WeakPolarHBondContact O-CB 3.46Å; Y296-S300 PolarHBondContact O-N 3.22Å; Q297-S300 WeakPolarHBondContact O-CB 3.22Å; Q297-S300 PolarHBondContact O-N 3.01Å; K298-S300 VanDerWaalsContact C-N 3.3Å; K298-S300 PolarHBondContact O-N 3.43Å; S300-L303 PolarHBondContact O-N 3.07Å; S300-A304 PolarHBondContact O-N 2.99Å
301Q96Very high95.8Very high110 Ų110108.5 Ų108.551%0.51454%0.537SS..Hα-helixtrans-64.5-47175.2-173.16247.700111.7Q297 K298 L303 A304 D305Q297-Q301 PolarHBondContact O-N 3.43Å; K298-Q301 WeakPolarHBondContact O-CB 3.45Å; K298-Q301 PolarHBondContact O-N 3.36Å; K298-Q301 VanDerWaalsContact O-N 3.15Å; Q301-L303 PolarHBondContact O-N 2.97Å; Q301-A304 WeakPolarHBondContact O-CB 3.39Å; Q301-A304 PolarHBondContact O-N 3.36Å; Q301-D305 PolarHBondContact NE2-OD1 3.41Å; Q301-D305 PolarHBondContact O-N 3.21Å
302D96.1Very high95.8Very high75 Ų75106.7 Ų106.740%0.40153%0.533SS..Hα-helixtrans-59.2-38.2177.8-66.3-25.4000111.4K298 N306K298-D302 PolarHBondContact O-N 3.28Å; D302-N306 WeakPolarHBondContact O-CB 3.32Å; D302-N306 PolarHBondContact O-N 2.83Å; D302-N306 PolarHBondContact O-ND2 2.95Å
303L95.5Very high95.9Very high110 Ų110106.5 Ų106.558%0.57654%0.535SS*.Hα-helixtrans-66.7-38.6174.4-75.3171.6000112.5K299 S300 Q301 R307K299-L303 WeakPolarHBondContact O-CB 3.46Å; K299-L303 VanDerWaalsContact O-CG 3.28Å; K299-L303 WeakPolarHBondContact O-CG 3.07Å; K299-L303 PolarHBondContact O-N 3.38Å; S300-L303 PolarHBondContact O-N 3.07Å; Q301-L303 PolarHBondContact O-N 2.97Å; L303-R307 WeakPolarHBondContact O-CB 3.27Å; L303-R307 PolarHBondContact O-N 3.49Å
304A95.5Very high96Very high49 Ų49107.9 Ų107.941%0.40554%0.539SS..Hα-helixtrans-64.6-46.7176.200000111.4S300 Q301 N306 R307 E308S300-A304 PolarHBondContact O-N 2.99Å; Q301-A304 WeakPolarHBondContact O-CB 3.39Å; Q301-A304 PolarHBondContact O-N 3.36Å; A304-N306 VanDerWaalsContact C-N 3.34Å; A304-N306 PolarHBondContact O-N 3.01Å; A304-R307 WeakPolarHBondContact O-CB 3.23Å; A304-R307 PolarHBondContact O-N 3.36Å; A304-R307 VanDerWaalsContact O-N 3.16Å; A304-E308 PolarHBondContact O-N 3.38Å
305D96Very high96Very high64 Ų64109.8 Ų109.834%0.34255%0.546SS..Hα-helixtrans-62.8-41.2178.3-65.4-3.4000111.3Q301 R307 E308 K309Q301-D305 PolarHBondContact NE2-OD1 3.41Å; Q301-D305 PolarHBondContact O-N 3.21Å; D305-R307 VanDerWaalsContact C-N 3.34Å; D305-E308 PolarHBondContact O-N 2.89Å; D305-K309 WeakPolarHBondContact O-CG 3.35Å; D305-K309 PolarHBondContact O-N 3.43Å
306N96.1Very high96Very high80 Ų80110 Ų11043%0.42854%0.544SS..Hα-helixtrans-66-35.9175.5-74.6-24.8000112.3D302 A304 E308 K309 L310D302-N306 WeakPolarHBondContact O-CB 3.32Å; D302-N306 PolarHBondContact O-N 2.83Å; D302-N306 PolarHBondContact O-ND2 2.95Å; A304-N306 VanDerWaalsContact C-N 3.34Å; A304-N306 PolarHBondContact O-N 3.01Å; N306-E308 VanDerWaalsContact C-N 3.34Å; N306-K309 PolarHBondContact O-N 3.29Å; N306-L310 WeakPolarHBondContact O-CB 3.32Å; N306-L310 WeakPolarHBondContact O-CG 3.49Å; N306-L310 PolarHBondContact O-N 3.45Å
307R96.6Very high96Very high200 Ų200105.8 Ų105.876%0.75554%0.535SS*.Hα-helixtrans-63.8-40.3174.8-165.6-177.8100.6-177.76.8111.6L303 A304 D305 L310 S311L303-R307 WeakPolarHBondContact O-CB 3.27Å; L303-R307 PolarHBondContact O-N 3.49Å; A304-R307 WeakPolarHBondContact O-CB 3.23Å; A304-R307 PolarHBondContact O-N 3.36Å; A304-R307 VanDerWaalsContact O-N 3.16Å; D305-R307 VanDerWaalsContact C-N 3.34Å; R307-L310 PolarHBondContact O-N 2.96Å; R307-S311 WeakPolarHBondContact O-CB 3.35Å; R307-S311 PolarHBondContact O-N 3.13Å
308E95.6Very high96.2Very high146 Ų146103.9 Ų103.968%0.68253%0.529SS*.Hα-helixtrans-65-45.3176.4-171.9171.9-168.300111.5A304 D305 N306 L310 S311 S312A304-E308 PolarHBondContact O-N 3.38Å; D305-E308 PolarHBondContact O-N 2.89Å; N306-E308 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 3.46Å; E308-S311 WeakPolarHBondContact O-CB 3.15Å; E308-S311 PolarHBondContact O-N 3.47Å; E308-S311 VanDerWaalsContact O-N 3.15Å; E308-S312 PolarHBondContact O-N 2.91Å
309K96.7Very high96.2Very high122 Ų122101.9 Ų101.953%0.5353%0.525SS..Hα-helixtrans-58.7-47.2174.2-70172.3-173.8168.40112.1D305 N306 S311 S312 L313D305-K309 WeakPolarHBondContact O-CG 3.35Å; D305-K309 PolarHBondContact O-N 3.43Å; N306-K309 PolarHBondContact O-N 3.29Å; K309-S311 VanDerWaalsContact C-N 3.29Å; K309-S311 PolarHBondContact O-N 3.17Å; K309-S312 PolarHBondContact O-N 3.49Å; K309-S312 VanDerWaalsContact O-N 3.13Å; K309-S312 PolarHBondContact O-OG 3.33Å; K309-L313 WeakPolarHBondContact O-CG 3.46Å; K309-L313 PolarHBondContact O-N 3.31Å
310L96.4Very high96.2Very high119 Ų119100.3 Ų100.362%0.62352%0.522SS*.Hα-helixtrans-60.2-39.4175.8-77.2169.3000111.8N306 R307 E308 S312 L313 L314N306-L310 WeakPolarHBondContact O-CB 3.32Å; N306-L310 WeakPolarHBondContact O-CG 3.49Å; N306-L310 PolarHBondContact O-N 3.45Å; R307-L310 PolarHBondContact O-N 2.96Å; E308-L310 PolarHBondContact O-N 3.46Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 2.94Å; L310-L313 PolarHBondContact O-N 3.4Å; L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 PolarHBondContact O-N 3.25Å
311S96.5Very high96.2Very high76 Ų76101.8 Ų101.853%0.53152%0.52SS..Hα-helixtrans-63.8-38.2175.4-170.90000112.3R307 E308 K309 K315R307-S311 WeakPolarHBondContact O-CB 3.35Å; R307-S311 PolarHBondContact O-N 3.13Å; E308-S311 WeakPolarHBondContact O-CB 3.15Å; E308-S311 PolarHBondContact O-N 3.47Å; E308-S311 VanDerWaalsContact O-N 3.15Å; K309-S311 VanDerWaalsContact C-N 3.29Å; K309-S311 PolarHBondContact O-N 3.17Å; S311-K315 PolarHBondContact O-N 2.92Å
312S95.8Very high96.2Very high69 Ų69101.5 Ų101.548%0.48352%0.522SS..Hα-helixtrans-68-42.9175.159.90000112.5E308 K309 L310 K315 E316E308-S312 PolarHBondContact O-N 2.91Å; K309-S312 PolarHBondContact O-N 3.49Å; K309-S312 VanDerWaalsContact O-N 3.13Å; K309-S312 PolarHBondContact O-OG 3.33Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 2.94Å; S312-K315 PolarHBondContact O-N 3.44Å; S312-E316 PolarHBondContact O-N 2.88Å
313L96Very high96.2Very high100 Ų100102.9 Ų102.952%0.52453%0.526SS..Hα-helixtrans-65.4-39.3178.1-72.4171000111.7K309 L310 K315 E316 S317K309-L313 WeakPolarHBondContact O-CG 3.46Å; K309-L313 PolarHBondContact O-N 3.31Å; L310-L313 PolarHBondContact O-N 3.4Å; L313-K315 VanDerWaalsContact C-N 3.33Å; L313-K315 PolarHBondContact O-N 3.19Å; L313-E316 PolarHBondContact O-N 3.44Å; L313-S317 WeakPolarHBondContact O-CB 3.49Å; L313-S317 PolarHBondContact O-N 3.47Å
314L96.8Very high96.2Very high111 Ų111103.2 Ų103.258%0.58153%0.527SS*.Hα-helixtrans-62.4-41.9175.5-176.964.3000111.4L310 E316 S317 L318L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 PolarHBondContact O-N 3.25Å; L314-E316 VanDerWaalsContact C-N 3.34Å; L314-S317 PolarHBondContact O-N 3.5Å; L314-L318 HydrophobicContact CG-CD1 4.48Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 3.32Å
315K96.5Very high96.2Very high143 Ų143107.3 Ų107.362%0.62254%0.538SS*.Hα-helixtrans-64.9-39176.7-171.1178.2-179-178.30111.9S311 S312 L313 N319S311-K315 PolarHBondContact O-N 2.92Å; S312-K315 PolarHBondContact O-N 3.44Å; L313-K315 VanDerWaalsContact C-N 3.33Å; L313-K315 PolarHBondContact O-N 3.19Å; K315-N319 VanDerWaalsContact O-CG 3.29Å; K315-N319 PolarHBondContact O-N 3.23Å; K315-N319 VanDerWaalsContact O-N 3.12Å; K315-N319 PolarHBondContact O-ND2 2.91Å
316E96.9Very high96.2Very high114 Ų114107.1 Ų107.153%0.53354%0.542SS..Hα-helixtrans-65.5-43.6174.6-172.4176.3-178.400111.7S312 L313 L314 L318 N319 L320S312-E316 PolarHBondContact O-N 2.88Å; L313-E316 PolarHBondContact O-N 3.44Å; L314-E316 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 2.88Å; E316-N319 PolarHBondContact O-N 3.36Å; E316-L320 HydrophobicContact CG-CD1 4.27Å; E316-L320 WeakPolarHBondContact O-CG 3.35Å; E316-L320 PolarHBondContact O-N 3.44Å
317S95.3Very high96.2Very high54 Ų54107 Ų10738%0.37854%0.541SS..Hα-helixtrans-58-46.3175.7-165.40000111.9L313 L314 N319 L320 E321L313-S317 WeakPolarHBondContact O-CB 3.49Å; L313-S317 PolarHBondContact O-N 3.47Å; L314-S317 PolarHBondContact O-N 3.5Å; S317-N319 PolarHBondContact O-N 2.86Å; S317-L320 PolarHBondContact O-N 3.2Å; S317-E321 WeakPolarHBondContact O-CG 3.02Å; S317-E321 PolarHBondContact O-N 2.99Å
318L97.2Very high96.2Very high88 Ų8899.7 Ų99.746%0.46152%0.521SS..Hα-helixtrans-62.8-42.7177.6-71.1171000112.1L314 E316 L320 E321 D322L314-L318 HydrophobicContact CG-CD1 4.48Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 3.32Å; E316-L318 PolarHBondContact O-N 2.88Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 3.44Å; L318-E321 PolarHBondContact O-N 3.01Å; L318-D322 PolarHBondContact O-N 2.9Å
319N96.5Very high96.2Very high96 Ų9695.1 Ų95.151%0.51351%0.505SS..Hα-helixtrans-63.1-37.6176-72.2-17.7000112.2K315 E316 S317 Q323K315-N319 VanDerWaalsContact O-CG 3.29Å; K315-N319 PolarHBondContact O-N 3.23Å; K315-N319 VanDerWaalsContact O-N 3.12Å; K315-N319 PolarHBondContact O-ND2 2.91Å; E316-N319 PolarHBondContact O-N 3.36Å; S317-N319 PolarHBondContact O-N 2.86Å; N319-Q323 PolarHBondContact O-N 3.5Å; N319-Q323 VanDerWaalsContact O-N 3.08Å
320L96.5Very high96.1Very high102 Ų10294.4 Ų94.453%0.53450%0.504SS..Hα-helixtrans-69.2-39.4176.5-71.8171.7000111.4E316 S317 L318 Q323 I324E316-L320 HydrophobicContact CG-CD1 4.27Å; E316-L320 WeakPolarHBondContact O-CG 3.35Å; E316-L320 PolarHBondContact O-N 3.44Å; S317-L320 PolarHBondContact O-N 3.2Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 3.44Å; L320-Q323 PolarHBondContact O-N 2.82Å; L320-I324 WeakPolarHBondContact O-CB 3.43Å; L320-I324 WeakPolarHBondContact O-CG1 3.34Å; L320-I324 PolarHBondContact O-N 3.43Å
321E95.4Very high96.1Very high110 Ų11094.7 Ų94.751%0.51451%0.505SS..Hα-helixtrans-60.4-47173.5-77171.3-164.500111.6S317 L318 Q323 I324 E325S317-E321 WeakPolarHBondContact O-CG 3.02Å; S317-E321 PolarHBondContact O-N 2.99Å; L318-E321 PolarHBondContact O-N 3.01Å; E321-Q323 VanDerWaalsContact C-N 3.31Å; E321-Q323 PolarHBondContact O-N 3.25Å; E321-I324 PolarHBondContact O-N 2.89Å; E321-E325 PolarHBondContact O-N 3.34Å
322D95.6Very high96.1Very high103 Ų10398 Ų9855%0.55151%0.51SS*.Hα-helixtrans-60-40.8176.3-73.9-17.7000111.7L318 E325 S326L318-D322 PolarHBondContact O-N 2.9Å; D322-E325 PolarHBondContact O-N 2.76Å; D322-S326 WeakPolarHBondContact O-CB 3.46Å; D322-S326 PolarHBondContact O-N 3Å
323Q96.2Very high96Very high104 Ų104101.5 Ų101.549%0.48652%0.516SS..Hα-helixtrans-66-43.5176.8-171.964.751.400111.6N319 L320 E321 E325 S326 D327N319-Q323 PolarHBondContact O-N 3.5Å; N319-Q323 VanDerWaalsContact O-N 3.08Å; L320-Q323 PolarHBondContact O-N 2.82Å; E321-Q323 VanDerWaalsContact C-N 3.31Å; E321-Q323 PolarHBondContact O-N 3.25Å; Q323-E325 VanDerWaalsContact C-N 3.31Å; Q323-E325 PolarHBondContact O-N 3.24Å; Q323-S326 PolarHBondContact O-N 3.29Å; Q323-D327 PolarHBondContact NE2-OD1 3.04Å; Q323-D327 WeakPolarHBondContact O-CB 3.37Å; Q323-D327 PolarHBondContact O-N 3.03Å
324I95.9Very high96Very high117 Ų117101.2 Ų101.260%0.652%0.515SS*.Hα-helixtrans-61.4-41.7176.3-71.1165.9000110.4L320 E321 S328L320-I324 WeakPolarHBondContact O-CB 3.43Å; L320-I324 WeakPolarHBondContact O-CG1 3.34Å; L320-I324 PolarHBondContact O-N 3.43Å; E321-I324 PolarHBondContact O-N 2.89Å; I324-S328 VanDerWaalsContact O-CB 3.28Å; I324-S328 WeakPolarHBondContact O-CB 3.48Å; I324-S328 PolarHBondContact O-N 3.43Å
325E95.8Very high96Very high136 Ų136100.7 Ų100.764%0.63651%0.508SS*.Hα-helixtrans-63.1-47.6176.6-174.6172.2-174.100111.3E321 D322 Q323 D327 S328 S329E321-E325 PolarHBondContact O-N 3.34Å; D322-E325 PolarHBondContact O-N 2.76Å; Q323-E325 VanDerWaalsContact C-N 3.31Å; Q323-E325 PolarHBondContact O-N 3.24Å; E325-D327 PolarHBondContact O-N 3.23Å; E325-S328 PolarHBondContact O-N 2.95Å; E325-S328 PolarHBondContact O-OG 2.87Å; E325-S329 PolarHBondContact O-N 2.78Å
326S96.2Very high95.9Very high59 Ų5998.5 Ų98.541%0.41351%0.506SS..Hα-helixtrans-56.1-51.9175.9177.80000111.7D322 Q323 S328 S329 E330D322-S326 WeakPolarHBondContact O-CB 3.46Å; D322-S326 PolarHBondContact O-N 3Å; Q323-S326 PolarHBondContact O-N 3.29Å; S326-S328 VanDerWaalsContact C-N 3.31Å; S326-S328 PolarHBondContact O-N 3.32Å; S326-S329 WeakPolarHBondContact O-CB 3.3Å; S326-S329 PolarHBondContact O-N 2.97Å; S326-S329 VanDerWaalsContact O-N 3.08Å; S326-S329 PolarHBondContact O-OG 2.98Å; S326-E330 PolarHBondContact O-N 3.19Å
327D96.5Very high95.8Very high78 Ų7898.2 Ų98.242%0.41751%0.505SS..Hα-helixtrans-62.9-37.8-179.7-68.5-3.9000111.4Q323 E325 S329 E330 L331Q323-D327 PolarHBondContact NE2-OD1 3.04Å; Q323-D327 WeakPolarHBondContact O-CB 3.37Å; Q323-D327 PolarHBondContact O-N 3.03Å; E325-D327 PolarHBondContact O-N 3.23Å; D327-S329 VanDerWaalsContact C-N 3.29Å; D327-S329 PolarHBondContact O-N 2.98Å; D327-E330 PolarHBondContact O-N 3.27Å; D327-L331 WeakPolarHBondContact O-CB 3.2Å; D327-L331 PolarHBondContact O-N 3.27Å
328S96.3Very high95.8Very high47 Ų47100 Ų10033%0.32951%0.508SS..Hα-helixtrans-63.9-35.5175.884.80000112.3I324 E325 S326 K332I324-S328 VanDerWaalsContact O-CB 3.28Å; I324-S328 WeakPolarHBondContact O-CB 3.48Å; I324-S328 PolarHBondContact O-N 3.43Å; E325-S328 PolarHBondContact O-N 2.95Å; E325-S328 PolarHBondContact O-OG 2.87Å; S326-S328 VanDerWaalsContact C-N 3.31Å; S326-S328 PolarHBondContact O-N 3.32Å; S328-K332 WeakPolarHBondContact O-CG 3.42Å; S328-K332 PolarHBondContact O-N 2.93Å; S328-K332 VanDerWaalsContact O-N 3.13Å
329S94.9Very high95.8Very high50 Ų5099.1 Ų99.135%0.3550%0.503SS..Hα-helixtrans-71.2-38.1178.185.90000111.5E325 S326 D327 K333E325-S329 PolarHBondContact O-N 2.78Å; S326-S329 WeakPolarHBondContact O-CB 3.3Å; S326-S329 PolarHBondContact O-N 2.97Å; S326-S329 VanDerWaalsContact O-N 3.08Å; S326-S329 PolarHBondContact O-OG 2.98Å; D327-S329 VanDerWaalsContact C-N 3.29Å; D327-S329 PolarHBondContact O-N 2.98Å; S329-K333 WeakPolarHBondContact O-CG 3.19Å; S329-K333 PolarHBondContact O-N 2.99Å
330E95.2Very high95.8Very high107 Ų10797.3 Ų97.350%0.550%0.498SS..Hα-helixtrans-68.2-43.7175.4-171.9173-17600111.2S326 D327 K332 K333 L334S326-E330 PolarHBondContact O-N 3.19Å; D327-E330 PolarHBondContact O-N 3.27Å; E330-K332 VanDerWaalsContact C-N 3.29Å; E330-K332 PolarHBondContact O-N 3.32Å; E330-K333 WeakPolarHBondContact O-CB 3.25Å; E330-K333 PolarHBondContact O-N 3.35Å; E330-L334 HydrophobicContact CG-CD1 4.23Å; E330-L334 HydrophobicContact CG-CG 4.48Å; E330-L334 WeakPolarHBondContact O-CG 3.34Å; E330-L334 PolarHBondContact O-N 2.96Å
331L95.8Very high95.7Very high125 Ų12596.8 Ų96.865%0.65450%0.495SS*.Hα-helixtrans-61-38.1177-168.6138000112.1D327 K335D327-L331 WeakPolarHBondContact O-CB 3.2Å; D327-L331 PolarHBondContact O-N 3.27Å; L331-K335 WeakPolarHBondContact O-CB 3.28Å; L331-K335 PolarHBondContact O-N 3.32Å
332K95.8Very high95.8Very high144 Ų14495.6 Ų95.663%0.62649%0.492SS*.Hα-helixtrans-62.7-44.7172.1-75.4170.8-176168.20111.9S328 E330 K335 T336S328-K332 WeakPolarHBondContact O-CG 3.42Å; S328-K332 PolarHBondContact O-N 2.93Å; S328-K332 VanDerWaalsContact O-N 3.13Å; E330-K332 VanDerWaalsContact C-N 3.29Å; E330-K332 PolarHBondContact O-N 3.32Å; K332-K335 PolarHBondContact O-N 3.27Å; K332-T336 WeakPolarHBondContact O-CG2 3.47Å; K332-T336 PolarHBondContact O-N 3.47Å; K332-T336 VanDerWaalsContact O-N 3.11Å
333K94.7Very high95.8Very high144 Ų14499.6 Ų99.663%0.62650%0.499SS*.Hα-helixtrans-61.2-50.2176.9-71.1171.2-176.5168.80111.1S329 E330 K335 T336 E337S329-K333 WeakPolarHBondContact O-CG 3.19Å; S329-K333 PolarHBondContact O-N 2.99Å; E330-K333 WeakPolarHBondContact O-CB 3.25Å; E330-K333 PolarHBondContact O-N 3.35Å; K333-K335 VanDerWaalsContact C-N 3.27Å; K333-K335 PolarHBondContact O-N 3.07Å; K333-T336 PolarHBondContact O-N 2.92Å; K333-T336 VanDerWaalsContact O-N 3.07Å; K333-T336 PolarHBondContact O-OG1 3.4Å; K333-E337 PolarHBondContact O-N 3.35Å; K333-E337 VanDerWaalsContact O-N 3.07Å
334L95.9Very high95.7Very high94 Ų9499.9 Ų99.949%0.49250%0.502SS..Hα-helixtrans-59.3-37.9177.5-70.6174.4000111.9E330 T336 E337 E338E330-L334 HydrophobicContact CG-CD1 4.23Å; E330-L334 HydrophobicContact CG-CG 4.48Å; E330-L334 WeakPolarHBondContact O-CG 3.34Å; E330-L334 PolarHBondContact O-N 2.96Å; L334-T336 VanDerWaalsContact C-N 3.34Å; L334-T336 PolarHBondContact O-N 3Å; L334-E337 PolarHBondContact O-N 2.97Å; L334-E338 WeakPolarHBondContact O-CB 3.4Å; L334-E338 PolarHBondContact O-N 3.25Å
335K96.4Very high95.7Very high100 Ų10097.8 Ų97.844%0.43549%0.494SS..Hα-helixtrans-64.3-38176.2-170.958.2177.5179.70112.8L331 K332 K333 E338 N339L331-K335 WeakPolarHBondContact O-CB 3.28Å; L331-K335 PolarHBondContact O-N 3.32Å; K332-K335 PolarHBondContact O-N 3.27Å; K333-K335 VanDerWaalsContact C-N 3.27Å; K333-K335 PolarHBondContact O-N 3.07Å; K335-E338 WeakPolarHBondContact CD-OE2 3.33Å; K335-E338 WeakPolarHBondContact CE-OE2 3.13Å; K335-E338 IonicContact NZ-OE1 2.72Å; K335-E338 IonicContact NZ-OE2 3.3Å; K335-E338 PolarHBondContact NZ-OE2 3.09Å; K335-N339 VanDerWaalsContact O-CG 3.29Å; K335-N339 PolarHBondContact O-N 3.05Å; K335-N339 VanDerWaalsContact O-N 3.11Å; K335-N339 PolarHBondContact O-ND2 3.22Å
336T95.1Very high95.7Very high96 Ų9694.5 Ų94.559%0.58948%0.484SS*.Hα-helixtrans-67.4-38.3175.161.40000112.2K332 K333 L334 N339 S340K332-T336 WeakPolarHBondContact O-CG2 3.47Å; K332-T336 PolarHBondContact O-N 3.47Å; K332-T336 VanDerWaalsContact O-N 3.11Å; K333-T336 PolarHBondContact O-N 2.92Å; K333-T336 VanDerWaalsContact O-N 3.07Å; K333-T336 PolarHBondContact O-OG1 3.4Å; L334-T336 VanDerWaalsContact C-N 3.34Å; L334-T336 PolarHBondContact O-N 3Å; T336-N339 PolarHBondContact O-N 3.47Å; T336-S340 PolarHBondContact O-N 3.31Å
337E95.2Very high95.7Very high109 Ų10994.8 Ų94.851%0.50948%0.483SS..Hα-helixtrans-66.2-45.7175.9-171.8174.1-175.900111.6K333 L334 N339 S340 L341K333-E337 PolarHBondContact O-N 3.35Å; K333-E337 VanDerWaalsContact O-N 3.07Å; L334-E337 PolarHBondContact O-N 2.97Å; E337-N339 VanDerWaalsContact C-N 3.33Å; E337-N339 PolarHBondContact O-N 3.11Å; E337-S340 WeakPolarHBondContact O-CA 3.49Å; E337-S340 WeakPolarHBondContact O-CB 3.49Å; E337-S340 PolarHBondContact O-N 3.47Å; E337-S340 PolarHBondContact O-OG 3.14Å; E337-L341 HydrophobicContact CG-CD1 4.36Å; E337-L341 WeakPolarHBondContact O-CG 3.47Å; E337-L341 PolarHBondContact O-N 3.39Å
338E95.5Very high95.7Very high91 Ų9197.5 Ų97.543%0.42549%0.491SS..Hα-helixtrans-54.2-49.3174.4-174-166.1-170.900110.9L334 K335 S340 L341 I342L334-E338 WeakPolarHBondContact O-CB 3.4Å; L334-E338 PolarHBondContact O-N 3.25Å; K335-E338 WeakPolarHBondContact CD-OE2 3.33Å; K335-E338 WeakPolarHBondContact CE-OE2 3.13Å; K335-E338 IonicContact NZ-OE1 2.72Å; K335-E338 IonicContact NZ-OE2 3.3Å; K335-E338 PolarHBondContact NZ-OE2 3.09Å; E338-S340 VanDerWaalsContact C-N 3.28Å; E338-S340 PolarHBondContact O-N 3.03Å; E338-L341 PolarHBondContact O-N 3.42Å; E338-L341 VanDerWaalsContact O-N 3.16Å; E338-I342 HydrophobicContact CG-CD1 3.94Å; E338-I342 VanDerWaalsContact O-CG1 3.3Å; E338-I342 WeakPolarHBondContact O-CG1 3.13Å; E338-I342 PolarHBondContact O-N 3.42Å
339N96.5Very high95.7Very high69 Ų69102.2 Ų102.237%0.36951%0.505SS..Hα-helixtrans-60.8-37177.7-74.7-30.9000112.4K335 T336 E337 R343K335-N339 VanDerWaalsContact O-CG 3.29Å; K335-N339 PolarHBondContact O-N 3.05Å; K335-N339 VanDerWaalsContact O-N 3.11Å; K335-N339 PolarHBondContact O-ND2 3.22Å; T336-N339 PolarHBondContact O-N 3.47Å; E337-N339 VanDerWaalsContact C-N 3.33Å; E337-N339 PolarHBondContact O-N 3.11Å; N339-R343 WeakPolarHBondContact O-CG 3.34Å; N339-R343 PolarHBondContact O-N 2.91Å; N339-R343 VanDerWaalsContact O-N 3.13Å
340S95.5Very high95.8Very high58 Ų58105.4 Ų105.441%0.40652%0.515SS..Hα-helixtrans-66.5-40.317683.50000112.1T336 E337 E338 R343 M344T336-S340 PolarHBondContact O-N 3.31Å; E337-S340 WeakPolarHBondContact O-CA 3.49Å; E337-S340 WeakPolarHBondContact O-CB 3.49Å; E337-S340 PolarHBondContact O-N 3.47Å; E337-S340 PolarHBondContact O-OG 3.14Å; E338-S340 VanDerWaalsContact C-N 3.28Å; E338-S340 PolarHBondContact O-N 3.03Å; S340-R343 PolarHBondContact O-N 2.94Å; S340-M344 PolarHBondContact O-N 2.89Å
341L96.1Very high95.8Very high91 Ų91106.8 Ų106.848%0.47652%0.519SS..Hα-helixtrans-69.6-38.4177.5-69.9173000112E337 E338 M344 T345E337-L341 HydrophobicContact CG-CD1 4.36Å; E337-L341 WeakPolarHBondContact O-CG 3.47Å; E337-L341 PolarHBondContact O-N 3.39Å; E338-L341 PolarHBondContact O-N 3.42Å; E338-L341 VanDerWaalsContact O-N 3.16Å; L341-M344 PolarHBondContact O-N 3.33Å; L341-T345 WeakPolarHBondContact O-CB 3.32Å; L341-T345 PolarHBondContact O-N 3.18Å; L341-T345 PolarHBondContact O-OG1 3.35Å
342I96.4Very high95.9Very high86 Ų86105 Ų10544%0.44151%0.51SS..Hα-helixtrans-60-46.5173.7-70.8168.2000110.4E338 T345 T346E338-I342 HydrophobicContact CG-CD1 3.94Å; E338-I342 VanDerWaalsContact O-CG1 3.3Å; E338-I342 WeakPolarHBondContact O-CG1 3.13Å; E338-I342 PolarHBondContact O-N 3.42Å; I342-T345 PolarHBondContact O-N 3.15Å; I342-T346 PolarHBondContact O-N 3.35Å; I342-T346 PolarHBondContact O-OG1 2.99Å
343R95Very high95.9Very high187 Ų187101 Ų10171%0.70650%0.503SS*.Hα-helixtrans-60.9-46.1175.9-71.9175.4-172.5-179.73.2111.5N339 S340 T345 T346 V347N339-R343 WeakPolarHBondContact O-CG 3.34Å; N339-R343 PolarHBondContact O-N 2.91Å; N339-R343 VanDerWaalsContact O-N 3.13Å; S340-R343 PolarHBondContact O-N 2.94Å; R343-T345 PolarHBondContact O-N 2.95Å; R343-T346 PolarHBondContact O-N 3.49Å; R343-V347 WeakPolarHBondContact O-CG2 3.34Å; R343-V347 PolarHBondContact O-N 3.18Å; R343-V347 VanDerWaalsContact O-N 3.08Å
344M95.8Very high95.9Very high110 Ų11097.7 Ų97.754%0.54250%0.496SS..Hα-helixtrans-62.4-42.4179.3-165.4-177.2-5700112.1S340 L341 T346 V347 K348S340-M344 PolarHBondContact O-N 2.89Å; L341-M344 PolarHBondContact O-N 3.33Å; M344-T346 VanDerWaalsContact C-N 3.33Å; M344-T346 PolarHBondContact O-N 2.88Å; M344-V347 PolarHBondContact O-N 2.92Å; M344-K348 VanDerWaalsContact O-CG 3.24Å; M344-K348 WeakPolarHBondContact O-CG 3.47Å; M344-K348 PolarHBondContact O-N 3.44Å
345T94.6Very high95.9Very high72 Ų7295.4 Ų95.444%0.44249%0.49SS..Hα-helixtrans-61.4-42.5177-60.90000111.3L341 I342 R343 K348 K349L341-T345 WeakPolarHBondContact O-CB 3.32Å; L341-T345 PolarHBondContact O-N 3.18Å; L341-T345 PolarHBondContact O-OG1 3.35Å; I342-T345 PolarHBondContact O-N 3.15Å; R343-T345 PolarHBondContact O-N 2.95Å; T345-K348 PolarHBondContact O-N 3.4Å; T345-K349 HydrophobicContact CG2-CD 4.28Å; T345-K349 WeakPolarHBondContact O-CG 3.22Å; T345-K349 PolarHBondContact O-N 3.36Å
346T96.2Very high95.9Very high67 Ų6798.1 Ų98.141%0.41150%0.498SS..Hα-helixtrans-61.4-50177.9-54.80000111I342 R343 M344 K348 K349 E350I342-T346 PolarHBondContact O-N 3.35Å; I342-T346 PolarHBondContact O-OG1 2.99Å; R343-T346 PolarHBondContact O-N 3.49Å; M344-T346 VanDerWaalsContact C-N 3.33Å; M344-T346 PolarHBondContact O-N 2.88Å; T346-K348 VanDerWaalsContact C-N 3.29Å; T346-K348 PolarHBondContact O-N 2.88Å; T346-K349 PolarHBondContact O-N 3.43Å; T346-K349 VanDerWaalsContact O-N 3.14Å; T346-E350 WeakPolarHBondContact O-CG 3.33Å; T346-E350 PolarHBondContact O-N 3.21Å
347V96.8Very high96Very high65 Ų65100.2 Ų100.239%0.39450%0.499SS..Hα-helixtrans-59.2-39.2176.7172.80000111.9R343 M344 K351R343-V347 WeakPolarHBondContact O-CG2 3.34Å; R343-V347 PolarHBondContact O-N 3.18Å; R343-V347 VanDerWaalsContact O-N 3.08Å; M344-V347 PolarHBondContact O-N 2.92Å; V347-K351 HydrophobicContact CG1-CD 4.36Å; V347-K351 WeakPolarHBondContact O-CG 3.46Å; V347-K351 PolarHBondContact O-N 3.28Å; V347-K351 VanDerWaalsContact O-N 3.07Å
348K96.9Very high96.1Very high135 Ų135101.4 Ų101.459%0.58750%0.502SS*.Hα-helixtrans-69.1-39.7177.6-68.3-76.3177.8168.20111.9M344 T345 T346 K351 L352M344-K348 VanDerWaalsContact O-CG 3.24Å; M344-K348 WeakPolarHBondContact O-CG 3.47Å; M344-K348 PolarHBondContact O-N 3.44Å; T345-K348 PolarHBondContact O-N 3.4Å; T346-K348 VanDerWaalsContact C-N 3.29Å; T346-K348 PolarHBondContact O-N 2.88Å; K348-K351 PolarHBondContact O-N 3.49Å; K348-L352 WeakPolarHBondContact O-CB 3.29Å; K348-L352 PolarHBondContact O-N 3.13Å
349K95.8Very high96.1Very high146 Ų146101.5 Ų101.564%0.63551%0.505SS*.Hα-helixtrans-62.4-43.5174.6-77.1179.5177.4179.20111.8T345 T346 L352 A353T345-K349 HydrophobicContact CG2-CD 4.28Å; T345-K349 WeakPolarHBondContact O-CG 3.22Å; T345-K349 PolarHBondContact O-N 3.36Å; T346-K349 PolarHBondContact O-N 3.43Å; T346-K349 VanDerWaalsContact O-N 3.14Å; K349-L352 PolarHBondContact O-N 2.87Å; K349-A353 WeakPolarHBondContact O-CB 3.41Å; K349-A353 PolarHBondContact O-N 2.79Å
350E96.1Very high96.1Very high117 Ų117102.5 Ų102.555%0.54751%0.51SS..Hα-helixtrans-63.3-44176.5-71.7172.7179.200112.5T346 L352 A353 T354T346-E350 WeakPolarHBondContact O-CG 3.33Å; T346-E350 PolarHBondContact O-N 3.21Å; E350-L352 VanDerWaalsContact C-N 3.33Å; E350-L352 PolarHBondContact O-N 3Å; E350-A353 PolarHBondContact O-N 2.83Å; E350-T354 PolarHBondContact O-N 2.87Å; E350-T354 PolarHBondContact O-OG1 3.03Å
351K96.6Very high96.2Very high136 Ų136105.2 Ų105.259%0.59152%0.515SS*.Hα-helixtrans-60.8-42.3174.1-75.5-179.4179-176.70111.7V347 K348 T354 A355V347-K351 HydrophobicContact CG1-CD 4.36Å; V347-K351 WeakPolarHBondContact O-CG 3.46Å; V347-K351 PolarHBondContact O-N 3.28Å; V347-K351 VanDerWaalsContact O-N 3.07Å; K348-K351 PolarHBondContact O-N 3.49Å; K351-T354 PolarHBondContact O-N 3.37Å; K351-A355 WeakPolarHBondContact O-CB 3.37Å; K351-A355 PolarHBondContact O-N 2.92Å
352L96.1Very high96.2Very high89 Ų89108.2 Ų108.247%0.46652%0.524SS..Hα-helixtrans-64-43.6176.6-177.566.4000111.7K348 K349 E350 A355 R356K348-L352 WeakPolarHBondContact O-CB 3.29Å; K348-L352 PolarHBondContact O-N 3.13Å; K349-L352 PolarHBondContact O-N 2.87Å; E350-L352 VanDerWaalsContact C-N 3.33Å; E350-L352 PolarHBondContact O-N 3Å; L352-A355 PolarHBondContact O-N 3.1Å; L352-R356 WeakPolarHBondContact O-CB 3.42Å; L352-R356 WeakPolarHBondContact O-CG 3.42Å; L352-R356 PolarHBondContact O-N 3.35Å
353A96.1Very high96.1Very high58 Ų58109.1 Ų109.148%0.47953%0.526SS..Hα-helixtrans-61.1-44.5176.700000111.5K349 E350 A355 R356 F357K349-A353 WeakPolarHBondContact O-CB 3.41Å; K349-A353 PolarHBondContact O-N 2.79Å; E350-A353 PolarHBondContact O-N 2.83Å; A353-A355 PolarHBondContact O-N 3.05Å; A353-R356 PolarHBondContact O-N 3.49Å; A353-F357 WeakPolarHBondContact O-CB 3.38Å; A353-F357 PolarHBondContact O-N 3.43Å
354T96.1Very high96.1Very high76 Ų76105.8 Ų105.847%0.46652%0.518SS..Hα-helixtrans-62.1-41.9176.4-55.40000111.8E350 K351 F357 K358E350-T354 PolarHBondContact O-N 2.87Å; E350-T354 PolarHBondContact O-OG1 3.03Å; K351-T354 PolarHBondContact O-N 3.37Å; T354-F357 PolarHBondContact O-N 3.03Å; T354-K358 WeakPolarHBondContact O-CG 3.48Å; T354-K358 PolarHBondContact O-N 2.82Å; T354-K358 VanDerWaalsContact O-N 3.09Å
355A95.9Very high96.2Very high45 Ų45104.7 Ų104.737%0.37252%0.515SS..Hα-helixtrans-65.4-44.3176.800000111.9K351 L352 A353 F357 K358 I359K351-A355 WeakPolarHBondContact O-CB 3.37Å; K351-A355 PolarHBondContact O-N 2.92Å; L352-A355 PolarHBondContact O-N 3.1Å; A353-A355 PolarHBondContact O-N 3.05Å; A355-F357 PolarHBondContact O-N 3.13Å; A355-K358 PolarHBondContact O-N 2.77Å; A355-I359 WeakPolarHBondContact O-CG1 3.27Å; A355-I359 PolarHBondContact O-N 3.15Å
356R96.7Very high96.3Very high158 Ų158106 Ų10660%0.59652%0.522SS*.Hα-helixtrans-60.1-44.5175.5-76.1178176-179.4-1.6111.8L352 A353 K358 I359 N360L352-R356 WeakPolarHBondContact O-CB 3.42Å; L352-R356 WeakPolarHBondContact O-CG 3.42Å; L352-R356 PolarHBondContact O-N 3.35Å; A353-R356 PolarHBondContact O-N 3.49Å; R356-K358 PolarHBondContact O-N 3.35Å; R356-I359 PolarHBondContact O-N 2.9Å; R356-N360 PolarHBondContact O-N 3.27Å
357F96.6Very high96.3Very high140 Ų140109.7 Ų109.761%0.61453%0.533SS*.Hα-helixtrans-58.4-45.9175.6-179.8-98.4000112A353 T354 A355 I359 N360 K361A353-F357 WeakPolarHBondContact O-CB 3.38Å; A353-F357 PolarHBondContact O-N 3.43Å; T354-F357 PolarHBondContact O-N 3.03Å; A355-F357 PolarHBondContact O-N 3.13Å; F357-I359 PolarHBondContact O-N 2.75Å; F357-N360 PolarHBondContact O-N 2.84Å; F357-K361 WeakPolarHBondContact O-CB 3.41Å; F357-K361 PolarHBondContact O-N 2.93Å
358K97Very high96.2Very high133 Ų133113 Ų11358%0.57854%0.544SS*.Hα-helixtrans-62.9-38.2176.6-72.5178.7-179.3-177.80113T354 A355 R356 K362T354-K358 WeakPolarHBondContact O-CG 3.48Å; T354-K358 PolarHBondContact O-N 2.82Å; T354-K358 VanDerWaalsContact O-N 3.09Å; A355-K358 PolarHBondContact O-N 2.77Å; R356-K358 PolarHBondContact O-N 3.35Å; K358-K362 WeakPolarHBondContact O-CG 3.49Å; K358-K362 PolarHBondContact O-N 3.14Å; K358-K362 VanDerWaalsContact O-N 3.16Å
359I96.2Very high96.1Very high94 Ų94114 Ų11448%0.48255%0.545SS..Hα-helixtrans-66.1-48.4176.9-70.3166.7000110.4A355 R356 F357 K361 K362 Q363A355-I359 WeakPolarHBondContact O-CG1 3.27Å; A355-I359 PolarHBondContact O-N 3.15Å; R356-I359 PolarHBondContact O-N 2.9Å; F357-I359 PolarHBondContact O-N 2.75Å; I359-K361 PolarHBondContact O-N 3.3Å; I359-K362 PolarHBondContact O-N 3.45Å; I359-Q363 HydrophobicContact CG2-CG 4.5Å; I359-Q363 WeakPolarHBondContact O-CG 3.3Å; I359-Q363 PolarHBondContact O-N 3.17Å
360N96.1Very high96.1Very high89 Ų89113.6 Ų113.648%0.47654%0.543SS..Hα-helixtrans-60.6-45.4179.7-72.7-1.7000111.4R356 F357 K362 Q363 E364R356-N360 PolarHBondContact O-N 3.27Å; F357-N360 PolarHBondContact O-N 2.84Å; N360-K362 VanDerWaalsContact C-N 3.35Å; N360-K362 PolarHBondContact O-N 2.6Å; N360-Q363 WeakPolarHBondContact O-CB 3.48Å; N360-Q363 PolarHBondContact O-N 3.4Å; N360-Q363 VanDerWaalsContact O-N 3.08Å; N360-E364 PolarHBondContact O-N 3Å
361K96.6Very high96Very high116 Ų116112.9 Ų112.950%0.50454%0.54SS..Hα-helixtrans-56.9-46.7175.8-174174.4-179176.10112.1F357 I359 Q363 E364 D365F357-K361 WeakPolarHBondContact O-CB 3.41Å; F357-K361 PolarHBondContact O-N 2.93Å; I359-K361 PolarHBondContact O-N 3.3Å; K361-Q363 VanDerWaalsContact C-N 3.31Å; K361-Q363 PolarHBondContact O-N 2.93Å; K361-E364 PolarHBondContact O-N 3.14Å; K361-D365 PolarHBondContact O-N 2.79Å
362K95.8Very high96Very high153 Ų153108.3 Ų108.367%0.66553%0.527SS*.Hα-helixtrans-62.1-36.9175.6-77-172.3174.9-1700112.9K358 I359 N360 V366K358-K362 WeakPolarHBondContact O-CG 3.49Å; K358-K362 PolarHBondContact O-N 3.14Å; K358-K362 VanDerWaalsContact O-N 3.16Å; I359-K362 PolarHBondContact O-N 3.45Å; N360-K362 VanDerWaalsContact C-N 3.35Å; N360-K362 PolarHBondContact O-N 2.6Å; K362-V366 WeakPolarHBondContact O-CB 3.49Å; K362-V366 VanDerWaalsContact O-CG2 3.25Å; K362-V366 WeakPolarHBondContact O-CG2 3.31Å; K362-V366 PolarHBondContact O-N 3.42Å
363Q95.3Very high95.9Very high106 Ų106107.7 Ų107.750%0.49552%0.523SS..Hα-helixtrans-66.7-39.2176.7-73.5179.4-1100111.8I359 N360 K361 K367I359-Q363 HydrophobicContact CG2-CG 4.5Å; I359-Q363 WeakPolarHBondContact O-CG 3.3Å; I359-Q363 PolarHBondContact O-N 3.17Å; N360-Q363 WeakPolarHBondContact O-CB 3.48Å; N360-Q363 PolarHBondContact O-N 3.4Å; N360-Q363 VanDerWaalsContact O-N 3.08Å; K361-Q363 VanDerWaalsContact C-N 3.31Å; K361-Q363 PolarHBondContact O-N 2.93Å; Q363-K367 VanDerWaalsContact O-CG 3.31Å; Q363-K367 WeakPolarHBondContact O-CG 3.24Å; Q363-K367 PolarHBondContact O-N 3.1Å
364E95.9Very high95.9Very high116 Ų116108.3 Ų108.354%0.54252%0.517SS..Hα-helixtrans-65.1-46.4173.8-70.9-179.4157.800111.5N360 K361 V366 K367 H368N360-E364 PolarHBondContact O-N 3Å; K361-E364 PolarHBondContact O-N 3.14Å; E364-V366 VanDerWaalsContact C-N 3.3Å; E364-V366 PolarHBondContact O-N 3.13Å; E364-K367 WeakPolarHBondContact O-CB 3.39Å; E364-K367 PolarHBondContact O-N 2.82Å; E364-K367 VanDerWaalsContact O-N 3.1Å; E364-H368 PolarHBondContact O-CD2 3.14Å; E364-H368 VanDerWaalsContact O-CD2 3.25Å; E364-H368 PolarHBondContact O-N 3.22Å
365D96.7Very high95.9Very high88 Ų88109 Ų10947%0.47152%0.515SS..Hα-helixtrans-56.8-44.4176.1-65.9-24.7000111.3K361 H368 Y369K361-D365 PolarHBondContact O-N 2.79Å; D365-H368 PolarHBondContact O-N 3.11Å; D365-Y369 WeakPolarHBondContact O-CB 3.5Å; D365-Y369 PolarHBondContact O-N 3.16Å
366V96.3Very high95.9Very high98 Ų98110.3 Ų110.359%0.59452%0.516SS*.Hα-helixtrans-66.2-38.6176.8169.80000112K362 E364 Y369 K370K362-V366 WeakPolarHBondContact O-CB 3.49Å; K362-V366 VanDerWaalsContact O-CG2 3.25Å; K362-V366 WeakPolarHBondContact O-CG2 3.31Å; K362-V366 PolarHBondContact O-N 3.42Å; E364-V366 VanDerWaalsContact C-N 3.3Å; E364-V366 PolarHBondContact O-N 3.13Å; V366-Y369 PolarHBondContact O-N 2.9Å; V366-K370 WeakPolarHBondContact O-CB 3.3Å; V366-K370 PolarHBondContact O-N 3.29Å
367K95.8Very high95.8Very high146 Ų146106.8 Ų106.864%0.63552%0.515SS*.Hα-helixtrans-63.4-46.3175.4-78.4174.7-178.41790111.1Q363 E364 K370 Q371Q363-K367 VanDerWaalsContact O-CG 3.31Å; Q363-K367 WeakPolarHBondContact O-CG 3.24Å; Q363-K367 PolarHBondContact O-N 3.1Å; E364-K367 WeakPolarHBondContact O-CB 3.39Å; E364-K367 PolarHBondContact O-N 2.82Å; E364-K367 VanDerWaalsContact O-N 3.1Å; K367-K370 PolarHBondContact O-N 3.14Å; K367-Q371 WeakPolarHBondContact O-CB 3.35Å; K367-Q371 PolarHBondContact O-N 2.75Å
368H95.2Very high95.7Very high134 Ų134104.4 Ų104.462%0.6251%0.508SS*.Hα-helixtrans-61.7-44.6176.2-78.1-61.2000111.7E364 D365 K370 Q371 A372E364-H368 PolarHBondContact O-CD2 3.14Å; E364-H368 VanDerWaalsContact O-CD2 3.25Å; E364-H368 PolarHBondContact O-N 3.22Å; D365-H368 PolarHBondContact O-N 3.11Å; H368-K370 PolarHBondContact O-N 3.46Å; H368-Q371 PolarHBondContact O-N 2.89Å; H368-A372 PolarHBondContact O-N 2.71Å
369Y95.5Very high95.7Very high156 Ų156103 Ų10361%0.61250%0.503SS*.Hα-helixtrans-61.6-44.5176.4-176-101.3000112.3D365 V366 Q371 A372 M373D365-Y369 WeakPolarHBondContact O-CB 3.5Å; D365-Y369 PolarHBondContact O-N 3.16Å; V366-Y369 PolarHBondContact O-N 2.9Å; Y369-Q371 VanDerWaalsContact C-N 3.34Å; Y369-Q371 PolarHBondContact O-N 3.36Å; Y369-A372 PolarHBondContact O-N 3.18Å; Y369-M373 HydrophobicContact CD1-CG 4.15Å; Y369-M373 HydrophobicContact CE1-CG 3.76Å; Y369-M373 HydrophobicContact CE1-SD 4.39Å; Y369-M373 HydrophobicContact CE2-CE 4.37Å; Y369-M373 HydrophobicContact CE2-CG 4.39Å; Y369-M373 VanDerWaalsContact O-CG 3.3Å; Y369-M373 WeakPolarHBondContact O-CG 3.37Å; Y369-M373 PolarHBondContact O-N 3.44Å
370K95.7Very high95.7Very high138 Ų138103.3 Ų103.360%0.651%0.508SS*.Hα-helixtrans-60.2-44176-179-177.4174.1-1750111.6V366 K367 H368 M373 I374V366-K370 WeakPolarHBondContact O-CB 3.3Å; V366-K370 PolarHBondContact O-N 3.29Å; K367-K370 PolarHBondContact O-N 3.14Å; H368-K370 PolarHBondContact O-N 3.46Å; K370-M373 PolarHBondContact O-N 3.48Å; K370-I374 HydrophobicContact CG-CD1 4.03Å; K370-I374 WeakPolarHBondContact O-CG1 3.27Å; K370-I374 PolarHBondContact O-N 2.67Å
371Q94.8Very high95.7Very high101 Ų101102.9 Ų102.947%0.47250%0.503SS..Hα-helixtrans-62.9-46.1179.2-17660.728.400111.3K367 H368 Y369 M373 I374 E375K367-Q371 WeakPolarHBondContact O-CB 3.35Å; K367-Q371 PolarHBondContact O-N 2.75Å; H368-Q371 PolarHBondContact O-N 2.89Å; Y369-Q371 VanDerWaalsContact C-N 3.34Å; Y369-Q371 PolarHBondContact O-N 3.36Å; Q371-M373 VanDerWaalsContact C-N 3.33Å; Q371-M373 PolarHBondContact O-N 3.21Å; Q371-I374 PolarHBondContact O-N 2.97Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.44Å; Q371-E375 PolarHBondContact NE2-OE1 3.08Å; Q371-E375 VanDerWaalsContact NE2-OE1 3.07Å; Q371-E375 WeakPolarHBondContact O-CG 3.16Å; Q371-E375 PolarHBondContact O-N 3.12Å
372A96.1Very high95.6Very high40 Ų40103.8 Ų103.833%0.33151%0.509SS..Hα-helixtrans-59.7-42175.500000112.2H368 Y369 E375 D376H368-A372 PolarHBondContact O-N 2.71Å; Y369-A372 PolarHBondContact O-N 3.18Å; A372-E375 PolarHBondContact O-N 3.3Å; A372-D376 PolarHBondContact O-N 3Å
373M94.4Very high95.6Very high76 Ų76103.9 Ų103.937%0.37451%0.51SS..Hα-helixtrans-63.8-40175.8-71.8-69.39900112.9Y369 K370 Q371 D376 C377Y369-M373 HydrophobicContact CD1-CG 4.15Å; Y369-M373 HydrophobicContact CE1-CG 3.76Å; Y369-M373 HydrophobicContact CE1-SD 4.39Å; Y369-M373 HydrophobicContact CE2-CE 4.37Å; Y369-M373 HydrophobicContact CE2-CG 4.39Å; Y369-M373 VanDerWaalsContact O-CG 3.3Å; Y369-M373 WeakPolarHBondContact O-CG 3.37Å; Y369-M373 PolarHBondContact O-N 3.44Å; K370-M373 PolarHBondContact O-N 3.48Å; Q371-M373 VanDerWaalsContact C-N 3.33Å; Q371-M373 PolarHBondContact O-N 3.21Å; M373-D376 PolarHBondContact O-N 2.76Å; M373-C377 WeakPolarHBondContact O-CB 3.48Å; M373-C377 PolarHBondContact O-N 2.72Å; M373-C377 PolarHBondContact O-SG 2.95Å; M373-C377 VanDerWaalsContact O-SG 3.35Å
374I95.6Very high95.6Very high71 Ų71106.8 Ų106.836%0.36452%0.516SS..Hα-helixtrans-63.3-44.1175.7-70.6166.8000110.5K370 Q371 D376 C377 N378K370-I374 HydrophobicContact CG-CD1 4.03Å; K370-I374 WeakPolarHBondContact O-CG1 3.27Å; K370-I374 PolarHBondContact O-N 2.67Å; Q371-I374 PolarHBondContact O-N 2.97Å; I374-D376 VanDerWaalsContact C-N 3.34Å; I374-D376 PolarHBondContact O-N 2.92Å; I374-C377 PolarHBondContact O-N 3.3Å; I374-N378 VanDerWaalsContact O-CG 3.26Å; I374-N378 PolarHBondContact O-N 3.09Å
375E95.7Very high95.6Very high90 Ų90105.1 Ų105.142%0.42151%0.511SS..Hα-helixtrans-61.4-41.9177.1-73.7169-160.300112.1Q371 A372 N378 K379Q371-E375 WeakPolarHBondContact CG-OE1 3.44Å; Q371-E375 PolarHBondContact NE2-OE1 3.08Å; Q371-E375 VanDerWaalsContact NE2-OE1 3.07Å; Q371-E375 WeakPolarHBondContact O-CG 3.16Å; Q371-E375 PolarHBondContact O-N 3.12Å; A372-E375 PolarHBondContact O-N 3.3Å; E375-N378 PolarHBondContact O-N 3.19Å; E375-K379 WeakPolarHBondContact O-CG 3.47Å; E375-K379 PolarHBondContact O-N 2.89Å
376D95.5Very high95.6Very high73 Ų73103 Ų10339%0.3951%0.506SS..Hα-helixtrans-69.1-38.1176.9-73.5-15.9000112.4A372 M373 I374 N378 K379 V380A372-D376 PolarHBondContact O-N 3Å; M373-D376 PolarHBondContact O-N 2.76Å; I374-D376 VanDerWaalsContact C-N 3.34Å; I374-D376 PolarHBondContact O-N 2.92Å; D376-N378 VanDerWaalsContact C-N 3.34Å; D376-N378 PolarHBondContact O-N 3.45Å; D376-K379 PolarHBondContact O-N 3.49Å; D376-K379 IonicContact OD1-NZ 3.29Å; D376-K379 PolarHBondContact OD1-NZ 3.38Å; D376-V380 VanDerWaalsContact O-CG2 3.27Å; D376-V380 WeakPolarHBondContact O-CG2 3.47Å; D376-V380 PolarHBondContact O-N 3.06Å
377C94.5Very high95.6Very high84 Ų84102.2 Ų102.257%0.56850%0.501SS*.Hα-helixtrans-60.3-42.9171.3-75.90000111.9M373 I374 V380 Q381M373-C377 WeakPolarHBondContact O-CB 3.48Å; M373-C377 PolarHBondContact O-N 2.72Å; M373-C377 PolarHBondContact O-SG 2.95Å; M373-C377 VanDerWaalsContact O-SG 3.35Å; I374-C377 PolarHBondContact O-N 3.3Å; C377-V380 PolarHBondContact O-N 2.95Å; C377-Q381 WeakPolarHBondContact O-CB 3.47Å; C377-Q381 PolarHBondContact O-N 2.89Å
378N96.1Very high95.5Very high90 Ų9098.6 Ų98.648%0.48149%0.493SS..Hα-helixtrans-62.6-44.8177.5-70.9-14.3000111.3I374 E375 D376 V380 Q381 E382I374-N378 VanDerWaalsContact O-CG 3.26Å; I374-N378 PolarHBondContact O-N 3.09Å; E375-N378 PolarHBondContact O-N 3.19Å; D376-N378 VanDerWaalsContact C-N 3.34Å; D376-N378 PolarHBondContact O-N 3.45Å; N378-V380 VanDerWaalsContact C-N 3.3Å; N378-V380 PolarHBondContact O-N 2.92Å; N378-Q381 PolarHBondContact O-N 3.35Å; N378-Q381 VanDerWaalsContact O-N 3.15Å; N378-E382 WeakPolarHBondContact O-CG 3.44Å; N378-E382 PolarHBondContact O-N 2.92Å
379K96.3Very high95.5Very high105 Ų10598.7 Ų98.746%0.45749%0.494SS..Hα-helixtrans-59.8-39.1175.2-69.6169.7-164155.40112.6E375 D376 K383E375-K379 WeakPolarHBondContact O-CG 3.47Å; E375-K379 PolarHBondContact O-N 2.89Å; D376-K379 PolarHBondContact O-N 3.49Å; D376-K379 IonicContact OD1-NZ 3.29Å; D376-K379 PolarHBondContact OD1-NZ 3.38Å; K379-K383 WeakPolarHBondContact O-CG 3.32Å; K379-K383 PolarHBondContact O-N 3.11Å; K379-K383 VanDerWaalsContact O-N 3.13Å
380V95.8Very high95.5Very high100 Ų10097.4 Ų97.461%0.60649%0.494SS*.Hα-helixtrans-67.6-41.1176.9171.50000110.5D376 C377 N378 K383 R384D376-V380 VanDerWaalsContact O-CG2 3.27Å; D376-V380 WeakPolarHBondContact O-CG2 3.47Å; D376-V380 PolarHBondContact O-N 3.06Å; C377-V380 PolarHBondContact O-N 2.95Å; N378-V380 VanDerWaalsContact C-N 3.3Å; N378-V380 PolarHBondContact O-N 2.92Å; V380-K383 PolarHBondContact O-N 3.24Å; V380-R384 WeakPolarHBondContact O-CB 3.25Å; V380-R384 PolarHBondContact O-N 3.17Å
381Q95.3Very high95.5Very high79 Ų7994.5 Ų94.537%0.36949%0.487SS..Hα-helixtrans-64.7-46177.5-17557.240.200111.6C377 N378 K383 R384 D385C377-Q381 WeakPolarHBondContact O-CB 3.47Å; C377-Q381 PolarHBondContact O-N 2.89Å; N378-Q381 PolarHBondContact O-N 3.35Å; N378-Q381 VanDerWaalsContact O-N 3.15Å; Q381-K383 VanDerWaalsContact C-N 3.33Å; Q381-K383 PolarHBondContact O-N 3.02Å; Q381-R384 WeakPolarHBondContact O-CB 3.42Å; Q381-R384 PolarHBondContact O-N 3.41Å; Q381-R384 VanDerWaalsContact O-N 3.11Å; Q381-D385 VanDerWaalsContact NE2-CG 3.25Å; Q381-D385 PolarHBondContact NE2-OD1 2.68Å; Q381-D385 PolarHBondContact NE2-OD2 2.91Å; Q381-D385 VanDerWaalsContact O-CG 3.29Å; Q381-D385 PolarHBondContact O-N 2.95Å
382E95.5Very high95.5Very high135 Ų13592.8 Ų92.863%0.63148%0.484SS*.Hα-helixtrans-56.8-45.2174.1-73.8174177.600112N378 R384 D385 A386N378-E382 WeakPolarHBondContact O-CG 3.44Å; N378-E382 PolarHBondContact O-N 2.92Å; E382-R384 PolarHBondContact O-N 3.28Å; E382-D385 PolarHBondContact O-N 3.46Å; E382-A386 WeakPolarHBondContact O-CB 3.38Å; E382-A386 PolarHBondContact O-N 3.09Å
383K95.9Very high95.5Very high156 Ų15693.8 Ų93.868%0.67849%0.486SS*.Hα-helixtrans-62.9-41.3175.6-76.4-179.4179.8-178.70112.2K379 V380 Q381 D385 V387K379-K383 WeakPolarHBondContact O-CG 3.32Å; K379-K383 PolarHBondContact O-N 3.11Å; K379-K383 VanDerWaalsContact O-N 3.13Å; V380-K383 PolarHBondContact O-N 3.24Å; Q381-K383 VanDerWaalsContact C-N 3.33Å; Q381-K383 PolarHBondContact O-N 3.02Å; K383-D385 VanDerWaalsContact C-N 3.35Å; K383-V387 VanDerWaalsContact O-CG2 3.32Å; K383-V387 WeakPolarHBondContact O-CG2 3.35Å; K383-V387 PolarHBondContact O-N 2.73Å
384R95.2Very high95.5Very high167 Ų16793.7 Ų93.763%0.6349%0.49SS*.Hα-helixtrans-61.1-46.4176.7177.1-165.7170.9162.31.8110.6V380 Q381 E382 V387 C388V380-R384 WeakPolarHBondContact O-CB 3.25Å; V380-R384 PolarHBondContact O-N 3.17Å; Q381-R384 WeakPolarHBondContact O-CB 3.42Å; Q381-R384 PolarHBondContact O-N 3.41Å; Q381-R384 VanDerWaalsContact O-N 3.11Å; E382-R384 PolarHBondContact O-N 3.28Å; R384-V387 PolarHBondContact O-N 3.1Å; R384-C388 WeakPolarHBondContact O-CB 3.4Å; R384-C388 PolarHBondContact O-N 2.59Å
385D95.6Very high95.5Very high81 Ų8194.1 Ų94.143%0.43349%0.493SS..Hα-helixtrans-65.6-42-177.5-66.8-25.4000110.7Q381 E382 K383 V387 C388 E389Q381-D385 VanDerWaalsContact NE2-CG 3.25Å; Q381-D385 PolarHBondContact NE2-OD1 2.68Å; Q381-D385 PolarHBondContact NE2-OD2 2.91Å; Q381-D385 VanDerWaalsContact O-CG 3.29Å; Q381-D385 PolarHBondContact O-N 2.95Å; E382-D385 PolarHBondContact O-N 3.46Å; K383-D385 VanDerWaalsContact C-N 3.35Å; D385-V387 PolarHBondContact O-N 2.94Å; D385-C388 WeakPolarHBondContact O-CB 3.47Å; D385-C388 PolarHBondContact O-N 3.11Å; D385-E389 PolarHBondContact O-N 3.37Å
386A96.3Very high95.5Very high44 Ų4495.5 Ų95.536%0.36450%0.499SS..Hα-helixtrans-59.8-43.5172.800000112.9E382 E389 Q390E382-A386 WeakPolarHBondContact O-CB 3.38Å; E382-A386 PolarHBondContact O-N 3.09Å; A386-E389 PolarHBondContact O-N 2.96Å; A386-Q390 WeakPolarHBondContact O-CG 3.24Å; A386-Q390 PolarHBondContact O-N 2.94Å
387V96.1Very high95.5Very high81 Ų8197 Ų9749%0.49150%0.504SS..Hα-helixtrans-66.1-39.2175.7170.80000111.1K383 R384 D385 Q390 V391K383-V387 VanDerWaalsContact O-CG2 3.32Å; K383-V387 WeakPolarHBondContact O-CG2 3.35Å; K383-V387 PolarHBondContact O-N 2.73Å; R384-V387 PolarHBondContact O-N 3.1Å; D385-V387 PolarHBondContact O-N 2.94Å; V387-Q390 PolarHBondContact O-N 3.46Å; V387-V391 HydrophobicContact CG1-CG2 4.35Å; V387-V391 WeakPolarHBondContact O-CG2 3.49Å; V387-V391 PolarHBondContact O-N 2.86Å
388C94.5Very high95.6Very high69 Ų6996.3 Ų96.347%0.46649%0.493SS..Hα-helixtrans-62.5-45.2178-164.50000110.9R384 D385 Q390 V391 T392R384-C388 WeakPolarHBondContact O-CB 3.4Å; R384-C388 PolarHBondContact O-N 2.59Å; D385-C388 WeakPolarHBondContact O-CB 3.47Å; D385-C388 PolarHBondContact O-N 3.11Å; C388-Q390 PolarHBondContact O-N 3.47Å; C388-V391 PolarHBondContact O-N 3.25Å; C388-T392 WeakPolarHBondContact O-CG2 3.4Å; C388-T392 PolarHBondContact O-N 3.44Å; C388-T392 PolarHBondContact O-OG1 3.49Å
389E95.1Very high95.5Very high136 Ų13698.4 Ų98.464%0.63650%0.5SS*.Hα-helixtrans-58.9-45.7175-169.6178.3-173.900111.7D385 A386 V391 T392 T393D385-E389 PolarHBondContact O-N 3.37Å; A386-E389 PolarHBondContact O-N 2.96Å; E389-V391 PolarHBondContact O-N 3.48Å; E389-T392 WeakPolarHBondContact CA-OG1 3.33Å; E389-T392 PolarHBondContact O-N 2.89Å; E389-T392 PolarHBondContact O-OG1 3.24Å; E389-T393 PolarHBondContact O-N 3.22Å; E389-T393 PolarHBondContact O-OG1 3.37Å
390Q95.7Very high95.5Very high129 Ų129100.4 Ų100.460%0.60351%0.509SS*.Hα-helixtrans-59.3-45.6174.5-72.6177.47.700112.3A386 V387 C388 T392 T393 V394A386-Q390 WeakPolarHBondContact O-CG 3.24Å; A386-Q390 PolarHBondContact O-N 2.94Å; V387-Q390 PolarHBondContact O-N 3.46Å; C388-Q390 PolarHBondContact O-N 3.47Å; Q390-T392 VanDerWaalsContact C-N 3.35Å; Q390-T392 PolarHBondContact O-N 3.28Å; Q390-T393 PolarHBondContact O-N 2.99Å; Q390-V394 WeakPolarHBondContact O-CG2 3.34Å; Q390-V394 PolarHBondContact O-N 2.93Å
391V95.5Very high95.5Very high77 Ų77100.6 Ų100.647%0.46751%0.506SS..Hα-helixtrans-62.4-41.3177.4169.20000111.3V387 C388 E389 T393 V394 N395V387-V391 HydrophobicContact CG1-CG2 4.35Å; V387-V391 WeakPolarHBondContact O-CG2 3.49Å; V387-V391 PolarHBondContact O-N 2.86Å; C388-V391 PolarHBondContact O-N 3.25Å; E389-V391 PolarHBondContact O-N 3.48Å; V391-T393 VanDerWaalsContact C-N 3.33Å; V391-T393 PolarHBondContact O-N 3.37Å; V391-V394 PolarHBondContact O-N 3.49Å; V391-N395 WeakPolarHBondContact O-CB 3.46Å; V391-N395 PolarHBondContact O-N 2.94Å; V391-N395 PolarHBondContact O-ND2 3.31Å
392T94.8Very high95.5Very high65 Ų65103.2 Ų103.240%0.39952%0.516SS..Hα-helixtrans-63.4-40.417660.40000112.1C388 E389 Q390 N395 Q396C388-T392 WeakPolarHBondContact O-CG2 3.4Å; C388-T392 PolarHBondContact O-N 3.44Å; C388-T392 PolarHBondContact O-OG1 3.49Å; E389-T392 WeakPolarHBondContact CA-OG1 3.33Å; E389-T392 PolarHBondContact O-N 2.89Å; E389-T392 PolarHBondContact O-OG1 3.24Å; Q390-T392 VanDerWaalsContact C-N 3.35Å; Q390-T392 PolarHBondContact O-N 3.28Å; T392-N395 PolarHBondContact O-N 2.91Å; T392-Q396 WeakPolarHBondContact O-CG 3.43Å; T392-Q396 PolarHBondContact O-N 3.33Å
393T95.7Very high95.5Very high62 Ų6299.9 Ų99.938%0.3851%0.507SS..Hα-helixtrans-63.1-49.7177.2-56.30000111E389 Q390 V391 N395 Q396 E397E389-T393 PolarHBondContact O-N 3.22Å; E389-T393 PolarHBondContact O-OG1 3.37Å; Q390-T393 PolarHBondContact O-N 2.99Å; V391-T393 VanDerWaalsContact C-N 3.33Å; V391-T393 PolarHBondContact O-N 3.37Å; T393-N395 VanDerWaalsContact C-N 3.32Å; T393-N395 PolarHBondContact O-N 3Å; T393-Q396 WeakPolarHBondContact O-CB 3.38Å; T393-Q396 PolarHBondContact O-N 3.23Å; T393-Q396 VanDerWaalsContact O-N 3.15Å; T393-E397 PolarHBondContact O-N 3.46Å
394V95.4Very high95.5Very high74 Ų7494.6 Ų94.645%0.44849%0.492SS..Hα-helixtrans-60.4-41.1176.9171.80000111.3Q390 V391 Q396 E397 I398Q390-V394 WeakPolarHBondContact O-CG2 3.34Å; Q390-V394 PolarHBondContact O-N 2.93Å; V391-V394 PolarHBondContact O-N 3.49Å; V394-Q396 VanDerWaalsContact C-N 3.35Å; V394-Q396 PolarHBondContact O-N 3.46Å; V394-E397 PolarHBondContact O-N 2.99Å; V394-I398 HydrophobicContact CG1-CD1 3.91Å; V394-I398 HydrophobicContact CG1-CG1 4.39Å; V394-I398 VanDerWaalsContact O-CG1 3.31Å; V394-I398 WeakPolarHBondContact O-CG1 3.34Å; V394-I398 PolarHBondContact O-N 2.87Å
395N95.4Very high95.5Very high80 Ų8090.4 Ų90.443%0.42848%0.482SS..Hα-helixtrans-63.1-40.3176.4-82.5-32.6000112.3V391 T392 T393 E397 I398 H399V391-N395 WeakPolarHBondContact O-CB 3.46Å; V391-N395 PolarHBondContact O-N 2.94Å; V391-N395 PolarHBondContact O-ND2 3.31Å; T392-N395 PolarHBondContact O-N 2.91Å; T393-N395 VanDerWaalsContact C-N 3.32Å; T393-N395 PolarHBondContact O-N 3Å; N395-E397 VanDerWaalsContact C-N 3.35Å; N395-I398 PolarHBondContact O-N 2.98Å; N395-H399 PolarHBondContact O-CD2 3.25Å; N395-H399 VanDerWaalsContact O-CD2 3.23Å; N395-H399 PolarHBondContact O-N 3.15Å
396Q95.9Very high95.5Very high118 Ų11890.7 Ų90.755%0.55148%0.481SS*.Hα-helixtrans-63.2-41.1174.5-71.5175.71000111.7T392 T393 V394 H399 K400T392-Q396 WeakPolarHBondContact O-CG 3.43Å; T392-Q396 PolarHBondContact O-N 3.33Å; T393-Q396 WeakPolarHBondContact O-CB 3.38Å; T393-Q396 PolarHBondContact O-N 3.23Å; T393-Q396 VanDerWaalsContact O-N 3.15Å; V394-Q396 VanDerWaalsContact C-N 3.35Å; V394-Q396 PolarHBondContact O-N 3.46Å; Q396-H399 PolarHBondContact O-N 3.15Å; Q396-K400 WeakPolarHBondContact O-CG 3.31Å; Q396-K400 PolarHBondContact O-N 2.97Å
397E96.2Very high95.5Very high105 Ų10594.6 Ų94.649%0.49149%0.491SS..Hα-helixtrans-63.5-44.9175-70.7-179.3175.200112.1T393 V394 N395 H399 K400 I401T393-E397 PolarHBondContact O-N 3.46Å; V394-E397 PolarHBondContact O-N 2.99Å; N395-E397 VanDerWaalsContact C-N 3.35Å; E397-H399 VanDerWaalsContact C-N 3.27Å; E397-H399 PolarHBondContact O-N 3.4Å; E397-K400 PolarHBondContact O-N 3.42Å; E397-K400 VanDerWaalsContact O-N 3.15Å; E397-I401 WeakPolarHBondContact O-CG1 3.36Å; E397-I401 PolarHBondContact O-N 3.29Å
398I95.1Very high95.4Very high69 Ų6996.6 Ų96.635%0.35450%0.499SS..Hα-helixtrans-56.9-43.8174.4-71.7169.2000110.4V394 N395 I401 K402V394-I398 HydrophobicContact CG1-CD1 3.91Å; V394-I398 HydrophobicContact CG1-CG1 4.39Å; V394-I398 VanDerWaalsContact O-CG1 3.31Å; V394-I398 WeakPolarHBondContact O-CG1 3.34Å; V394-I398 PolarHBondContact O-N 2.87Å; N395-I398 PolarHBondContact O-N 2.98Å; I398-I401 PolarHBondContact O-N 3.25Å; I398-K402 HydrophobicContact CG2-CD 4.07Å; I398-K402 HydrophobicContact CG2-CG 4.42Å; I398-K402 WeakPolarHBondContact O-CB 3.49Å; I398-K402 WeakPolarHBondContact O-CG 3.39Å; I398-K402 PolarHBondContact O-N 3.42Å
399H95.4Very high95.5Very high134 Ų134101 Ų10162%0.6251%0.505SS*.Hα-helixtrans-62.6-44.2176.7-88-69.1000112.4N395 Q396 E397 K402 S403N395-H399 PolarHBondContact O-CD2 3.25Å; N395-H399 VanDerWaalsContact O-CD2 3.23Å; N395-H399 PolarHBondContact O-N 3.15Å; Q396-H399 PolarHBondContact O-N 3.15Å; E397-H399 VanDerWaalsContact C-N 3.27Å; E397-H399 PolarHBondContact O-N 3.4Å; H399-K402 PolarHBondContact O-N 3.35Å; H399-S403 WeakPolarHBondContact O-CB 3.35Å; H399-S403 PolarHBondContact O-N 2.88Å
400K95.9Very high95.4Very high148 Ų14898.1 Ų98.164%0.64349%0.494SS*.Hα-helixtrans-60.1-47.2175.4-73175.5-177.6174.30111.5Q396 E397 S403 A404Q396-K400 WeakPolarHBondContact O-CG 3.31Å; Q396-K400 PolarHBondContact O-N 2.97Å; E397-K400 PolarHBondContact O-N 3.42Å; E397-K400 VanDerWaalsContact O-N 3.15Å; K400-S403 PolarHBondContact O-N 3.3Å; K400-A404 WeakPolarHBondContact O-CB 3.36Å; K400-A404 PolarHBondContact O-N 2.9Å
401I95.7Very high95.4Very high104 Ų10494.8 Ų94.853%0.53348%0.483SS..Hα-helixtrans-62.9-45.6178.9-67.8168.4000110.8E397 I398 S403 A404 I405E397-I401 WeakPolarHBondContact O-CG1 3.36Å; E397-I401 PolarHBondContact O-N 3.29Å; I398-I401 PolarHBondContact O-N 3.25Å; I401-S403 VanDerWaalsContact C-N 3.33Å; I401-S403 PolarHBondContact O-N 2.89Å; I401-A404 PolarHBondContact O-N 3.43Å; I401-I405 HydrophobicContact CG2-CD1 3.85Å; I401-I405 HydrophobicContact CG2-CG1 4.4Å; I401-I405 WeakPolarHBondContact O-CG1 3.45Å; I401-I405 PolarHBondContact O-N 2.94Å
402K95.8Very high95.3Very high134 Ų13498 Ų9858%0.58349%0.49SS*.Hα-helixtrans-59.2-43.3176.4-79.3179.9178.9176.90111.9I398 H399 I405 Q406I398-K402 HydrophobicContact CG2-CD 4.07Å; I398-K402 HydrophobicContact CG2-CG 4.42Å; I398-K402 WeakPolarHBondContact O-CB 3.49Å; I398-K402 WeakPolarHBondContact O-CG 3.39Å; I398-K402 PolarHBondContact O-N 3.42Å; H399-K402 PolarHBondContact O-N 3.35Å; K402-I405 PolarHBondContact O-N 2.75Å; K402-Q406 PolarHBondContact O-N 3.4Å
403S95.1Very high95.3Very high65 Ų65101.5 Ų101.546%0.45550%0.5SS..Hα-helixtrans-62.5-45.1176.4-173.60000111.7H399 K400 I401 I405 Q406 Q407H399-S403 WeakPolarHBondContact O-CB 3.35Å; H399-S403 PolarHBondContact O-N 2.88Å; K400-S403 PolarHBondContact O-N 3.3Å; I401-S403 VanDerWaalsContact C-N 3.33Å; I401-S403 PolarHBondContact O-N 2.89Å; S403-I405 PolarHBondContact O-N 2.93Å; S403-Q406 PolarHBondContact O-N 2.96Å; S403-Q407 WeakPolarHBondContact O-CG 3.49Å; S403-Q407 PolarHBondContact O-N 3.37Å
404A96.1Very high95.2Very high44 Ų44106.3 Ų106.336%0.36451%0.511SS..Hα-helixtrans-62.5-42.7177.300000112.5K400 I401 Q406 Q407 L408K400-A404 WeakPolarHBondContact O-CB 3.36Å; K400-A404 PolarHBondContact O-N 2.9Å; I401-A404 PolarHBondContact O-N 3.43Å; A404-Q406 VanDerWaalsContact C-N 3.3Å; A404-Q406 PolarHBondContact O-N 3.38Å; A404-Q407 PolarHBondContact O-N 2.95Å; A404-L408 WeakPolarHBondContact O-CB 3.46Å; A404-L408 WeakPolarHBondContact O-CG 3.37Å; A404-L408 PolarHBondContact O-N 3.05Å
405I94.9Very high95.2Very high79 Ų79108.3 Ų108.341%0.40552%0.516SS..Hα-helixtrans-59.9-42.4174.4-70.7169.8000110.7I401 K402 S403 L408 R409I401-I405 HydrophobicContact CG2-CD1 3.85Å; I401-I405 HydrophobicContact CG2-CG1 4.4Å; I401-I405 WeakPolarHBondContact O-CG1 3.45Å; I401-I405 PolarHBondContact O-N 2.94Å; K402-I405 PolarHBondContact O-N 2.75Å; S403-I405 PolarHBondContact O-N 2.93Å; I405-L408 PolarHBondContact O-N 2.98Å; I405-R409 WeakPolarHBondContact O-CG 3.39Å; I405-R409 PolarHBondContact O-N 3.42Å
406Q95.4Very high95.1Very high88 Ų88108.4 Ų108.441%0.41152%0.515SS..Hα-helixtrans-65.1-45.8179.2-17355.94400111.6K402 S403 A404 L408 R409 D410K402-Q406 PolarHBondContact O-N 3.4Å; S403-Q406 PolarHBondContact O-N 2.96Å; A404-Q406 VanDerWaalsContact C-N 3.3Å; A404-Q406 PolarHBondContact O-N 3.38Å; Q406-L408 VanDerWaalsContact C-N 3.32Å; Q406-L408 PolarHBondContact O-N 3.49Å; Q406-R409 WeakPolarHBondContact O-CB 3.49Å; Q406-R409 PolarHBondContact O-N 3.46Å; Q406-R409 VanDerWaalsContact O-N 3.15Å; Q406-D410 PolarHBondContact NE2-OD1 3.39Å; Q406-D410 PolarHBondContact NE2-OD2 3.17Å; Q406-D410 PolarHBondContact O-N 3.24Å
407Q94.9Very high94.9Very high126 Ų126107.3 Ų107.359%0.58951%0.513SS*.Hα-helixtrans-59.3-40.7175.1-72.4-178.5-12.500112.6S403 A404 D410 T411S403-Q407 WeakPolarHBondContact O-CG 3.49Å; S403-Q407 PolarHBondContact O-N 3.37Å; A404-Q407 PolarHBondContact O-N 2.95Å; Q407-D410 PolarHBondContact O-N 3.43Å; Q407-T411 WeakPolarHBondContact O-CB 3.46Å; Q407-T411 PolarHBondContact O-N 3.19Å; Q407-T411 PolarHBondContact O-OG1 3.47Å
408L95.4Very high94.8Very high123 Ų123108 Ų10864%0.64451%0.514SS*.Hα-helixtrans-63.9-41.9175-80.1168.4000111.9A404 I405 Q406 T411 K412A404-L408 WeakPolarHBondContact O-CB 3.46Å; A404-L408 WeakPolarHBondContact O-CG 3.37Å; A404-L408 PolarHBondContact O-N 3.05Å; I405-L408 PolarHBondContact O-N 2.98Å; Q406-L408 VanDerWaalsContact C-N 3.32Å; Q406-L408 PolarHBondContact O-N 3.49Å; L408-T411 PolarHBondContact O-N 3.34Å; L408-K412 WeakPolarHBondContact O-CB 3.5Å; L408-K412 PolarHBondContact O-N 2.95Å
409R95.6Very high94.6Very high162 Ų162108.4 Ų108.461%0.61152%0.523SS*.Hα-helixtrans-61.7-44.6175.3-75.7176.4-178.8176.9-0.4111.8I405 Q406 T411 K412 K413I405-R409 WeakPolarHBondContact O-CG 3.39Å; I405-R409 PolarHBondContact O-N 3.42Å; Q406-R409 WeakPolarHBondContact O-CB 3.49Å; Q406-R409 PolarHBondContact O-N 3.46Å; Q406-R409 VanDerWaalsContact O-N 3.15Å; R409-T411 VanDerWaalsContact C-N 3.34Å; R409-K412 PolarHBondContact O-N 2.91Å; R409-K413 WeakPolarHBondContact O-CB 3.38Å; R409-K413 PolarHBondContact O-N 3.44Å
410D94.2Very high94.4Very high75 Ų75107.2 Ų107.240%0.40152%0.518SS..Hα-helixtrans-68.1-35.9-179.9-65.7-27.4000111.9Q406 Q407 K413 R414Q406-D410 PolarHBondContact NE2-OD1 3.39Å; Q406-D410 PolarHBondContact NE2-OD2 3.17Å; Q406-D410 PolarHBondContact O-N 3.24Å; Q407-D410 PolarHBondContact O-N 3.43Å; D410-K413 PolarHBondContact O-N 3.06Å; D410-R414 PolarHBondContact O-N 2.88Å
411T94.8Very high94.3Very high59 Ų59105.9 Ų105.936%0.36251%0.514SS..Hα-helixtrans-66.8-47.8173.7-55.60000111Q407 L408 R409 K413 R414 E415Q407-T411 WeakPolarHBondContact O-CB 3.46Å; Q407-T411 PolarHBondContact O-N 3.19Å; Q407-T411 PolarHBondContact O-OG1 3.47Å; L408-T411 PolarHBondContact O-N 3.34Å; R409-T411 VanDerWaalsContact C-N 3.34Å; T411-K413 VanDerWaalsContact C-N 3.29Å; T411-K413 PolarHBondContact O-N 2.95Å; T411-R414 WeakPolarHBondContact O-CB 3.44Å; T411-R414 PolarHBondContact O-N 3.42Å; T411-R414 PolarHBondContact OG1-NH2 3.06Å; T411-E415 WeakPolarHBondContact O-CG 3.39Å; T411-E415 PolarHBondContact O-N 3.03Å
412K94.7Very high94Very high144 Ų144105.2 Ų105.263%0.62651%0.51SS*.Hα-helixtrans-56.4-43.3174-179.9179.1178.5177.70111.7L408 R409 E415 I416L408-K412 WeakPolarHBondContact O-CB 3.5Å; L408-K412 PolarHBondContact O-N 2.95Å; R409-K412 PolarHBondContact O-N 2.91Å; K412-E415 PolarHBondContact O-N 3.44Å; K412-I416 HydrophobicContact CG-CD1 3.99Å; K412-I416 WeakPolarHBondContact O-CG1 3.35Å; K412-I416 PolarHBondContact O-N 2.95Å
413K94.7Very high93.8Very high139 Ų139105.6 Ų105.660%0.60451%0.512SS*.Hα-helixtrans-63.1-42.7178.4-169.8178.2-179.1-177.40111.8R409 D410 T411 I416 L417R409-K413 WeakPolarHBondContact O-CB 3.38Å; R409-K413 PolarHBondContact O-N 3.44Å; D410-K413 PolarHBondContact O-N 3.06Å; T411-K413 VanDerWaalsContact C-N 3.29Å; T411-K413 PolarHBondContact O-N 2.95Å; K413-I416 PolarHBondContact O-N 3.15Å; K413-L417 HydrophobicContact CG-CD1 4.43Å; K413-L417 WeakPolarHBondContact O-CG 3.46Å; K413-L417 PolarHBondContact O-N 3.34Å
414R93.7Very high93.6Very high163 Ų163106.9 Ų106.962%0.61552%0.518SS*.Hα-helixtrans-60.4-46173.4-91.5-176.9-67.91701.2112.4D410 T411 I416 L417 K418D410-R414 PolarHBondContact O-N 2.88Å; T411-R414 WeakPolarHBondContact O-CB 3.44Å; T411-R414 PolarHBondContact O-N 3.42Å; T411-R414 PolarHBondContact OG1-NH2 3.06Å; R414-I416 PolarHBondContact O-N 2.91Å; R414-L417 PolarHBondContact O-N 3.32Å; R414-K418 WeakPolarHBondContact O-CB 3.32Å; R414-K418 PolarHBondContact O-N 3.5Å
415E93.5Very high93.4Very high115 Ų115109.1 Ų109.154%0.53752%0.523SS..Hα-helixtrans-62.7-41.2178.3-71.9-62.5154.200112.1T411 K412 K418 S419T411-E415 WeakPolarHBondContact O-CG 3.39Å; T411-E415 PolarHBondContact O-N 3.03Å; K412-E415 PolarHBondContact O-N 3.44Å; E415-K418 PolarHBondContact O-N 3.49Å; E415-S419 WeakPolarHBondContact O-CB 3.36Å; E415-S419 PolarHBondContact O-N 2.9Å
416I93.2Very high93.1Very high82 Ų82110.2 Ų110.242%0.42153%0.53SS..Hα-helixtrans-60.4-48.9174.6-70.7168000110.9K412 K413 R414 K418 S419 Q420K412-I416 HydrophobicContact CG-CD1 3.99Å; K412-I416 WeakPolarHBondContact O-CG1 3.35Å; K412-I416 PolarHBondContact O-N 2.95Å; K413-I416 PolarHBondContact O-N 3.15Å; R414-I416 PolarHBondContact O-N 2.91Å; I416-K418 VanDerWaalsContact C-N 3.35Å; I416-K418 PolarHBondContact O-N 3.41Å; I416-S419 PolarHBondContact O-N 3.32Å; I416-Q420 HydrophobicContact CG2-CG 4.45Å; I416-Q420 WeakPolarHBondContact O-CB 3.44Å; I416-Q420 WeakPolarHBondContact O-CG 3.44Å; I416-Q420 PolarHBondContact O-N 3.47Å
417L93.2Very high92.9Very high95 Ų95111.5 Ų111.550%0.49753%0.534SS..Hα-helixtrans-61.3-43.9179.3-73.6169000111.6K413 R414 Q420 E421K413-L417 HydrophobicContact CG-CD1 4.43Å; K413-L417 WeakPolarHBondContact O-CG 3.46Å; K413-L417 PolarHBondContact O-N 3.34Å; R414-L417 PolarHBondContact O-N 3.32Å; L417-Q420 PolarHBondContact O-N 2.97Å; L417-E421 WeakPolarHBondContact O-CB 3.33Å; L417-E421 PolarHBondContact O-N 3.41Å
418K93.2Very high92.6Very high120 Ų120107.7 Ų107.752%0.52252%0.521SS..Hα-helixtrans-63.7-41.9177.5-168.2179.2-178.1-1750111.8R414 E415 I416 E421 I422R414-K418 WeakPolarHBondContact O-CB 3.32Å; R414-K418 PolarHBondContact O-N 3.5Å; E415-K418 PolarHBondContact O-N 3.49Å; I416-K418 VanDerWaalsContact C-N 3.35Å; I416-K418 PolarHBondContact O-N 3.41Å; K418-E421 PolarHBondContact O-N 3.27Å; K418-I422 HydrophobicContact CG-CD1 4.34Å; K418-I422 VanDerWaalsContact O-CG1 3.26Å; K418-I422 WeakPolarHBondContact O-CG1 3.47Å; K418-I422 PolarHBondContact O-N 3.33Å
419S90.3Very high92.1Very high78 Ų78104.5 Ų104.555%0.54551%0.512SS..Hα-helixtrans-65-39.4175.1-176.40000112.2E415 I416 I422 F423E415-S419 WeakPolarHBondContact O-CB 3.36Å; E415-S419 PolarHBondContact O-N 2.9Å; I416-S419 PolarHBondContact O-N 3.32Å; S419-I422 PolarHBondContact O-N 2.82Å; S419-F423 WeakPolarHBondContact O-CB 3.26Å; S419-F423 PolarHBondContact O-N 2.86Å
420Q92.8Very high91.7Very high109 Ų109101.1 Ų101.151%0.50951%0.506SS..Hα-helixtrans-64.9-42.9175.5-76.4176.1-22.300111.3I416 L417 F423 V424I416-Q420 HydrophobicContact CG2-CG 4.45Å; I416-Q420 WeakPolarHBondContact O-CB 3.44Å; I416-Q420 WeakPolarHBondContact O-CG 3.44Å; I416-Q420 PolarHBondContact O-N 3.47Å; L417-Q420 PolarHBondContact O-N 2.97Å; Q420-F423 PolarHBondContact O-N 2.94Å; Q420-V424 WeakPolarHBondContact O-CG2 3.41Å; Q420-V424 PolarHBondContact O-N 2.92Å
421E92.2Very high91.4Very high120 Ų120102.4 Ų102.456%0.56151%0.509SS*.Hα-helixtrans-59.7-47.5175-175.2-177.2-176.900111.5L417 K418 F423 V424 N425L417-E421 WeakPolarHBondContact O-CB 3.33Å; L417-E421 PolarHBondContact O-N 3.41Å; K418-E421 PolarHBondContact O-N 3.27Å; E421-F423 VanDerWaalsContact C-N 3.31Å; E421-F423 PolarHBondContact O-N 2.99Å; E421-V424 PolarHBondContact O-N 2.9Å; E421-N425 WeakPolarHBondContact O-CB 3.42Å; E421-N425 VanDerWaalsContact O-CG 3.23Å; E421-N425 PolarHBondContact O-N 3.5Å; E421-N425 PolarHBondContact O-ND2 2.91Å
422I90.8Very high91Very high89 Ų89106.6 Ų106.646%0.45652%0.523SS..Hα-helixtrans-58-44.9175.1-69.5165.1000110.9K418 S419 N425 L426K418-I422 HydrophobicContact CG-CD1 4.34Å; K418-I422 VanDerWaalsContact O-CG1 3.26Å; K418-I422 WeakPolarHBondContact O-CG1 3.47Å; K418-I422 PolarHBondContact O-N 3.33Å; S419-I422 PolarHBondContact O-N 2.82Å; I422-N425 PolarHBondContact O-N 3.37Å; I422-L426 HydrophobicContact CG2-CD1 3.88Å; I422-L426 WeakPolarHBondContact O-CB 3.38Å; I422-L426 PolarHBondContact O-N 2.88Å
423F90.9Very high90.5Very high142 Ų142107.1 Ų107.162%0.62352%0.522SS*.Hα-helixtrans-63.3-45.3179.3-175.7-92.6000112.3S419 Q420 E421 N425 L426 K427S419-F423 WeakPolarHBondContact O-CB 3.26Å; S419-F423 PolarHBondContact O-N 2.86Å; Q420-F423 PolarHBondContact O-N 2.94Å; E421-F423 VanDerWaalsContact C-N 3.31Å; E421-F423 PolarHBondContact O-N 2.99Å; F423-N425 VanDerWaalsContact C-N 3.34Å; F423-N425 PolarHBondContact O-N 3.33Å; F423-L426 PolarHBondContact O-N 3.26Å; F423-K427 WeakPolarHBondContact O-CB 3.45Å; F423-K427 PolarHBondContact O-N 3.32Å
424V92.1Very high90.1Very high93 Ų93106.1 Ų106.156%0.56452%0.519SS*.Hα-helixtrans-61.6-43.6176.1170.60000110.8Q420 E421 K427 S428Q420-V424 WeakPolarHBondContact O-CG2 3.41Å; Q420-V424 PolarHBondContact O-N 2.92Å; E421-V424 PolarHBondContact O-N 2.9Å; V424-K427 PolarHBondContact O-N 3.26Å; V424-S428 WeakPolarHBondContact O-CB 3.4Å; V424-S428 PolarHBondContact O-N 2.95Å
425N90.7Very high89.7Confident90 Ų90104 Ų10448%0.48152%0.516SS..Hα-helixtrans-61.6-46.8177.3-72.6-21.5000111.6E421 I422 F423 S428 A429E421-N425 WeakPolarHBondContact O-CB 3.42Å; E421-N425 VanDerWaalsContact O-CG 3.23Å; E421-N425 PolarHBondContact O-N 3.5Å; E421-N425 PolarHBondContact O-ND2 2.91Å; I422-N425 PolarHBondContact O-N 3.37Å; F423-N425 VanDerWaalsContact C-N 3.34Å; F423-N425 PolarHBondContact O-N 3.33Å; N425-S428 PolarHBondContact O-N 3.4Å; N425-S428 PolarHBondContact O-OG 2.92Å; N425-A429 WeakPolarHBondContact O-CB 3.36Å; N425-A429 PolarHBondContact O-N 3.37Å
426L89.2Confident89.2Confident103 Ų103100.3 Ų100.354%0.53951%0.508SS..Hα-helixtrans-60.2-45.5175.7-103.9146.3000112.1I422 F423 S428 A429 L430I422-L426 HydrophobicContact CG2-CD1 3.88Å; I422-L426 WeakPolarHBondContact O-CB 3.38Å; I422-L426 PolarHBondContact O-N 2.88Å; F423-L426 PolarHBondContact O-N 3.26Å; L426-S428 PolarHBondContact O-N 3.4Å; L426-A429 PolarHBondContact O-N 2.99Å; L426-L430 WeakPolarHBondContact O-CB 3.46Å; L426-L430 PolarHBondContact O-N 2.86Å
427K91Very high88.7Confident114 Ų114100.5 Ų100.550%0.49651%0.509SS..Hα-helixtrans-59.9-46.2176.4-169.4-172.7-179-147.30111.1F423 V424 A429 L430 E431F423-K427 WeakPolarHBondContact O-CB 3.45Å; F423-K427 PolarHBondContact O-N 3.32Å; V424-K427 PolarHBondContact O-N 3.26Å; K427-A429 VanDerWaalsContact C-N 3.31Å; K427-A429 PolarHBondContact O-N 3.5Å; K427-L430 WeakPolarHBondContact O-CB 3.36Å; K427-L430 PolarHBondContact O-N 3.35Å; K427-E431 WeakPolarHBondContact CE-OE1 3.48Å; K427-E431 IonicContact NZ-OE1 3.31Å; K427-E431 PolarHBondContact NZ-OE1 3.21Å; K427-E431 WeakPolarHBondContact O-CG 3.46Å; K427-E431 PolarHBondContact O-N 2.92Å
428S87.8Confident88.1Confident46 Ų46101.7 Ų101.732%0.32251%0.512SS..Hα-helixtrans-63.3-36.2177.785.30000112.6V424 N425 L426 K432V424-S428 WeakPolarHBondContact O-CB 3.4Å; V424-S428 PolarHBondContact O-N 2.95Å; N425-S428 PolarHBondContact O-N 3.4Å; N425-S428 PolarHBondContact O-OG 2.92Å; L426-S428 PolarHBondContact O-N 3.4Å; S428-K432 WeakPolarHBondContact O-CB 3.39Å; S428-K432 WeakPolarHBondContact O-CG 3.46Å; S428-K432 PolarHBondContact O-N 3.26Å
429A86.1Confident87.5Confident56 Ų56102.1 Ų102.146%0.46351%0.514SS..Hα-helixtrans-69.5-39.9177.200000111.4N425 L426 K427 Y433N425-A429 WeakPolarHBondContact O-CB 3.36Å; N425-A429 PolarHBondContact O-N 3.37Å; L426-A429 PolarHBondContact O-N 2.99Å; K427-A429 VanDerWaalsContact C-N 3.31Å; K427-A429 PolarHBondContact O-N 3.5Å; A429-Y433 WeakPolarHBondContact O-CB 3.37Å; A429-Y433 PolarHBondContact O-N 2.9Å
430L86.7Confident87Confident91 Ų91102 Ų10248%0.47651%0.51SS..Hα-helixtrans-63.6-46.1172.7-97.3152.8000112L426 K427 Y433 H434L426-L430 WeakPolarHBondContact O-CB 3.46Å; L426-L430 PolarHBondContact O-N 2.86Å; K427-L430 WeakPolarHBondContact O-CB 3.36Å; K427-L430 PolarHBondContact O-N 3.35Å; L430-Y433 WeakPolarHBondContact O-CB 3.1Å; L430-Y433 PolarHBondContact O-N 3.37Å; L430-H434 PolarHBondContact O-CD2 3.01Å; L430-H434 VanDerWaalsContact O-CD2 3.23Å; L430-H434 PolarHBondContact O-N 3.23Å
431E88.4Confident86.2Confident102 Ų10299.4 Ų99.448%0.47751%0.507SS..Hα-helixtrans-59.3-47.8176.3-75.8169.8176.900110.8K427 Y433 H434 E435K427-E431 WeakPolarHBondContact CE-OE1 3.48Å; K427-E431 IonicContact NZ-OE1 3.31Å; K427-E431 PolarHBondContact NZ-OE1 3.21Å; K427-E431 WeakPolarHBondContact O-CG 3.46Å; K427-E431 PolarHBondContact O-N 2.92Å; E431-Y433 VanDerWaalsContact C-N 3.31Å; E431-Y433 PolarHBondContact O-N 3.18Å; E431-H434 PolarHBondContact O-N 3.31Å; E431-E435 WeakPolarHBondContact O-CB 3.47Å; E431-E435 PolarHBondContact O-N 3.31Å
432K85.6Confident85.6Confident148 Ų14899.4 Ų99.464%0.64351%0.507SS*.Hα-helixtrans-60.2-38173.9-77.8-179.6179.1178.30113.3S428 G436S428-K432 WeakPolarHBondContact O-CB 3.39Å; S428-K432 WeakPolarHBondContact O-CG 3.46Å; S428-K432 PolarHBondContact O-N 3.26Å; K432-G436 PolarHBondContact O-N 2.86Å
433Y84.9Confident84.9Confident155 Ų155100.7 Ų100.761%0.60851%0.511SS*.Hα-helixtrans-66.2-43176.5179-104.9000111.4A429 L430 E431 G436 I437A429-Y433 WeakPolarHBondContact O-CB 3.37Å; A429-Y433 PolarHBondContact O-N 2.9Å; L430-Y433 WeakPolarHBondContact O-CB 3.1Å; L430-Y433 PolarHBondContact O-N 3.37Å; E431-Y433 VanDerWaalsContact C-N 3.31Å; E431-Y433 PolarHBondContact O-N 3.18Å; Y433-G436 PolarHBondContact O-N 2.97Å; Y433-I437 HydrophobicContact CD1-CD1 3.94Å; Y433-I437 HydrophobicContact CE1-CD1 3.39Å; Y433-I437 HydrophobicContact CE1-CG1 4.37Å; Y433-I437 PolarHBondContact O-N 2.87Å
434H86.8Confident84.2Confident117 Ų117102.4 Ų102.454%0.54251%0.514SS..Hα-helixtrans-64.2-45.4175.8-79.9-143.2000111.8L430 E431 G436 I437 E438L430-H434 PolarHBondContact O-CD2 3.01Å; L430-H434 VanDerWaalsContact O-CD2 3.23Å; L430-H434 PolarHBondContact O-N 3.23Å; E431-H434 PolarHBondContact O-N 3.31Å; H434-G436 PolarHBondContact O-N 3.36Å; H434-I437 WeakPolarHBondContact O-CB 3.3Å; H434-I437 PolarHBondContact O-N 3.2Å; H434-E438 PolarHBondContact O-N 3.05Å
435E84.7Confident83.3Confident120 Ų120101 Ų10156%0.56151%0.508SS*.Hα-helixtrans-61-35.5175.8-163.2176.8-155.300111.3E431 E438 K439E431-E435 WeakPolarHBondContact O-CB 3.47Å; E431-E435 PolarHBondContact O-N 3.31Å; E435-E438 PolarHBondContact O-N 3.17Å; E435-K439 PolarHBondContact O-N 3.35Å
436G83.2Confident82.5Confident36 Ų3699.3 Ų99.337%0.37151%0.506SS..Hα-helixtrans-63.9-42.1170.600000113.5K432 Y433 H434 V440K432-G436 PolarHBondContact O-N 2.86Å; Y433-G436 PolarHBondContact O-N 2.97Å; H434-G436 PolarHBondContact O-N 3.36Å; G436-V440 VanDerWaalsContact O-CG2 3.3Å; G436-V440 WeakPolarHBondContact O-CG2 3.46Å; G436-V440 PolarHBondContact O-N 2.88Å; G436-V440 VanDerWaalsContact O-N 3.17Å
437I82.3Confident81.7Confident86 Ų86100.6 Ų100.644%0.44151%0.508SS..Hα-helixtrans-65.2-44.3174.7-70.8170.7000110.9Y433 H434 V440 A441Y433-I437 HydrophobicContact CD1-CD1 3.94Å; Y433-I437 HydrophobicContact CE1-CD1 3.39Å; Y433-I437 HydrophobicContact CE1-CG1 4.37Å; Y433-I437 PolarHBondContact O-N 2.87Å; H434-I437 WeakPolarHBondContact O-CB 3.3Å; H434-I437 PolarHBondContact O-N 3.2Å; I437-V440 PolarHBondContact O-N 2.88Å; I437-A441 WeakPolarHBondContact O-CB 3.47Å; I437-A441 PolarHBondContact O-N 3Å
438E81.3Confident80.9Confident120 Ų120100.5 Ų100.556%0.56151%0.512SS*.Hα-helixtrans-61.1-47.1-179.5-168.5166.6-153.300110.9H434 E435 V440 A441 E442H434-E438 PolarHBondContact O-N 3.05Å; E435-E438 PolarHBondContact O-N 3.17Å; E438-V440 VanDerWaalsContact C-N 3.34Å; E438-V440 PolarHBondContact O-N 3.38Å; E438-A441 CarbonylContact O-C 3.58Å; E438-A441 WeakPolarHBondContact O-CB 3.41Å; E438-A441 PolarHBondContact O-N 3.44Å; E438-A441 VanDerWaalsContact O-N 3.08Å; E438-E442 WeakPolarHBondContact O-CG 3.36Å; E438-E442 PolarHBondContact O-N 3.07Å
439K79.9Confident80.2Confident130 Ų130104.9 Ų104.957%0.56553%0.528SS*.Hα-helixtrans-55.7-44.9171.6-91.5-176.6174.61740113.4E435 A441 E442 E443E435-K439 PolarHBondContact O-N 3.35Å; K439-A441 VanDerWaalsContact C-N 3.29Å; K439-A441 PolarHBondContact O-N 3.49Å; K439-E442 PolarHBondContact O-N 2.86Å; K439-E443 WeakPolarHBondContact O-CB 3.42Å; K439-E443 WeakPolarHBondContact O-CG 3.48Å; K439-E443 PolarHBondContact O-N 3.34Å
440V78.8Confident79.5Confident75 Ų75108.4 Ų108.446%0.45553%0.534SS..Hα-helixtrans-65.2-35.6178.1170.90000111.3G436 I437 E438 R444G436-V440 VanDerWaalsContact O-CG2 3.3Å; G436-V440 WeakPolarHBondContact O-CG2 3.46Å; G436-V440 PolarHBondContact O-N 2.88Å; G436-V440 VanDerWaalsContact O-N 3.17Å; I437-V440 PolarHBondContact O-N 2.88Å; E438-V440 VanDerWaalsContact C-N 3.34Å; E438-V440 PolarHBondContact O-N 3.38Å; V440-R444 WeakPolarHBondContact O-CB 3.42Å; V440-R444 WeakPolarHBondContact O-CG 3.4Å; V440-R444 PolarHBondContact O-N 3.08Å; V440-R444 VanDerWaalsContact O-N 3.07Å
441A76.5Confident78.7Confident54 Ų54110.9 Ų110.945%0.44654%0.541SS..Hα-helixtrans-68.9-44.3175.800000111.7I437 E438 K439 R444 S445I437-A441 WeakPolarHBondContact O-CB 3.47Å; I437-A441 PolarHBondContact O-N 3Å; E438-A441 CarbonylContact O-C 3.58Å; E438-A441 WeakPolarHBondContact O-CB 3.41Å; E438-A441 PolarHBondContact O-N 3.44Å; E438-A441 VanDerWaalsContact O-N 3.08Å; K439-A441 VanDerWaalsContact C-N 3.29Å; K439-A441 PolarHBondContact O-N 3.49Å; A441-R444 PolarHBondContact O-N 2.83Å; A441-S445 WeakPolarHBondContact O-CB 3.43Å; A441-S445 PolarHBondContact O-N 3.28Å
442E79.4Confident77.8Confident121 Ų121109.1 Ų109.157%0.56554%0.538SS*.Hα-helixtrans-61.5-46.9174.4-74.2-175.9160.900111.8E438 K439 R444 S445 A446E438-E442 WeakPolarHBondContact O-CG 3.36Å; E438-E442 PolarHBondContact O-N 3.07Å; K439-E442 PolarHBondContact O-N 2.86Å; E442-R444 VanDerWaalsContact C-N 3.28Å; E442-R444 PolarHBondContact O-N 3.02Å; E442-S445 WeakPolarHBondContact O-CB 3.42Å; E442-S445 PolarHBondContact O-N 2.91Å; E442-S445 VanDerWaalsContact O-N 3.15Å; E442-A446 WeakPolarHBondContact O-CB 3.48Å; E442-A446 PolarHBondContact O-N 3.03Å
443E77Confident77.1Confident116 Ų116104.7 Ų104.754%0.54253%0.529SS..Hα-helixtrans-59.6-38.5175.3-79.2-176.5-177.900112.2K439 K447K439-E443 WeakPolarHBondContact O-CB 3.42Å; K439-E443 WeakPolarHBondContact O-CG 3.48Å; K439-E443 PolarHBondContact O-N 3.34Å; E443-K447 WeakPolarHBondContact O-CB 3.44Å; E443-K447 WeakPolarHBondContact O-CG 3.34Å; E443-K447 PolarHBondContact O-N 2.83Å
444R74.8Confident76.2Confident178 Ų178102.9 Ų102.967%0.67253%0.526SS*.Hα-helixtrans-69.3-40.3174.9-81.4-177.2176.7-169.41.1112.1V440 A441 E442 K447 L448V440-R444 WeakPolarHBondContact O-CB 3.42Å; V440-R444 WeakPolarHBondContact O-CG 3.4Å; V440-R444 PolarHBondContact O-N 3.08Å; V440-R444 VanDerWaalsContact O-N 3.07Å; A441-R444 PolarHBondContact O-N 2.83Å; E442-R444 VanDerWaalsContact C-N 3.28Å; E442-R444 PolarHBondContact O-N 3.02Å; R444-K447 PolarHBondContact O-N 3.06Å; R444-L448 WeakPolarHBondContact O-CB 3.32Å; R444-L448 PolarHBondContact O-N 2.81Å
445S73.4Confident75.2Confident62 Ų62102.3 Ų102.343%0.43453%0.526SS..Hα-helixtrans-61.6-48.6175.3-174.10000110.7A441 E442 K447 L448 E449A441-S445 WeakPolarHBondContact O-CB 3.43Å; A441-S445 PolarHBondContact O-N 3.28Å; E442-S445 WeakPolarHBondContact O-CB 3.42Å; E442-S445 PolarHBondContact O-N 2.91Å; E442-S445 VanDerWaalsContact O-N 3.15Å; S445-K447 PolarHBondContact O-N 3.42Å; S445-L448 CarbonylContact O-C 3.45Å; S445-L448 WeakPolarHBondContact O-CA 3.45Å; S445-L448 WeakPolarHBondContact O-CB 3.44Å; S445-L448 PolarHBondContact O-N 2.8Å; S445-E449 PolarHBondContact O-N 3.43Å
446A74.3Confident74.4Confident55 Ų55103.4 Ų103.446%0.45553%0.529SS..Hα-helixtrans-58.9-43.9176.100000111.9E442 L448 E449 E450E442-A446 WeakPolarHBondContact O-CB 3.48Å; E442-A446 PolarHBondContact O-N 3.03Å; A446-L448 VanDerWaalsContact C-N 3.32Å; A446-L448 PolarHBondContact O-N 3.15Å; A446-E449 PolarHBondContact O-N 2.98Å; A446-E450 WeakPolarHBondContact O-CB 3.36Å; A446-E450 PolarHBondContact O-N 3.15Å
447K74Confident73.5Confident130 Ų130109.4 Ų109.457%0.56555%0.545SS*.Hα-helixtrans-63.6-34.4173.4-78.6173.8179.71670113.2E443 R444 S445 K451E443-K447 WeakPolarHBondContact O-CB 3.44Å; E443-K447 WeakPolarHBondContact O-CG 3.34Å; E443-K447 PolarHBondContact O-N 2.83Å; R444-K447 PolarHBondContact O-N 3.06Å; S445-K447 PolarHBondContact O-N 3.42Å; K447-K451 WeakPolarHBondContact O-CB 3.4Å; K447-K451 PolarHBondContact O-N 3.4Å
448L72.5Confident72.4Confident113 Ų113114 Ų11459%0.59256%0.557SS**Hα-helixtrans-70-44.2175.1-100.4155.3000111.2R444 S445 A446 K451 T452R444-L448 WeakPolarHBondContact O-CB 3.32Å; R444-L448 PolarHBondContact O-N 2.81Å; S445-L448 CarbonylContact O-C 3.45Å; S445-L448 WeakPolarHBondContact O-CA 3.45Å; S445-L448 WeakPolarHBondContact O-CB 3.44Å; S445-L448 PolarHBondContact O-N 2.8Å; A446-L448 VanDerWaalsContact C-N 3.32Å; A446-L448 PolarHBondContact O-N 3.15Å; L448-K451 PolarHBondContact O-N 3.29Å; L448-T452 WeakPolarHBondContact O-CB 3.35Å; L448-T452 PolarHBondContact O-N 2.76Å; L448-T452 PolarHBondContact O-OG1 3.43Å
449E72.6Confident71Confident138 Ų138114.8 Ų114.865%0.64556%0.562SS**Hα-helixtrans-62.7-42.2174.6-76-167.5158.400111.7S445 A446 T452 A453S445-E449 PolarHBondContact O-N 3.43Å; A446-E449 PolarHBondContact O-N 2.98Å; E449-T452 CarbonylContact O-C 3Å; E449-T452 PolarHBondContact O-N 3.35Å; E449-T452 VanDerWaalsContact O-N 3.15Å; E449-A453 WeakPolarHBondContact O-CB 3.33Å; E449-A453 PolarHBondContact O-N 3.41Å
450E72.1Confident69.8Low130 Ų130114 Ų11461%0.60757%0.567SS**Hα-helixtrans-59-48174.3-171.7178.8-164.100111.2A446 T452 A453 E454A446-E450 WeakPolarHBondContact O-CB 3.36Å; A446-E450 PolarHBondContact O-N 3.15Å; E450-T452 VanDerWaalsContact C-N 3.32Å; E450-T452 PolarHBondContact O-N 2.65Å; E450-A453 PolarHBondContact O-N 2.82Å; E450-E454 PolarHBondContact O-N 3.36Å
451K70.3Confident68.5Low142 Ų142121.1 Ų121.162%0.61759%0.586SS**Hα-helixtrans-61.6-38173.1-88.1-171.1172.5-176.30113.1K447 L448 E454 L455K447-K451 WeakPolarHBondContact O-CB 3.4Å; K447-K451 PolarHBondContact O-N 3.4Å; L448-K451 PolarHBondContact O-N 3.29Å; K451-E454 PolarHBondContact O-N 2.9Å; K451-L455 PolarHBondContact O-N 2.87Å
452T69.8Low66.9Low66 Ų66126.6 Ų126.641%0.40561%0.605SS.*Hα-helixtrans-70.6-36.4179.4-51.80000110.6L448 E449 E450 L455 K456L448-T452 WeakPolarHBondContact O-CB 3.35Å; L448-T452 PolarHBondContact O-N 2.76Å; L448-T452 PolarHBondContact O-OG1 3.43Å; E449-T452 CarbonylContact O-C 3Å; E449-T452 PolarHBondContact O-N 3.35Å; E449-T452 VanDerWaalsContact O-N 3.15Å; E450-T452 VanDerWaalsContact C-N 3.32Å; E450-T452 PolarHBondContact O-N 2.65Å; T452-L455 PolarHBondContact O-N 2.9Å; T452-K456 PolarHBondContact O-N 3.36Å
453A69.7Low65.3Low55 Ų55129.8 Ų129.846%0.45563%0.632SS.*Hα-helixtrans-67.8-39.4173.200000111.8E449 E450 K456 K457E449-A453 WeakPolarHBondContact O-CB 3.33Å; E449-A453 PolarHBondContact O-N 3.41Å; E450-A453 PolarHBondContact O-N 2.82Å; A453-K456 PolarHBondContact O-N 3.34Å; A453-K457 PolarHBondContact O-N 3Å
454E67.4Low64.7Low116 Ų116130.5 Ų130.554%0.54264%0.636SS.*Hα-helixtrans-59.8-43.5169.9-81.9-166.7135.900112.1E450 K451 K457 R458E450-E454 PolarHBondContact O-N 3.36Å; K451-E454 PolarHBondContact O-N 2.9Å; E454-K457 PolarHBondContact O-N 2.9Å; E454-R458 PolarHBondContact O-N 3.37Å
455L66Low64.2Low105 Ų105127.9 Ų127.955%0.5564%0.635SS.*Hα-helixtrans-63-44.2175.5-82.7161.8000112K451 T452 K457 R458 M459K451-L455 PolarHBondContact O-N 2.87Å; T452-L455 PolarHBondContact O-N 2.9Å; L455-K457 PolarHBondContact O-N 3.48Å; L455-R458 WeakPolarHBondContact O-CB 3.47Å; L455-R458 PolarHBondContact O-N 2.97Å; L455-R458 VanDerWaalsContact O-N 3.14Å; L455-M459 PolarHBondContact O-N 3.14Å
456K67Low63.7Low143 Ų143131.6 Ų131.662%0.62265%0.646SS**Hα-helixtrans-61.9-41174.3-78.8-178.3177176.60112.1T452 A453 R458 M459 V460T452-K456 PolarHBondContact O-N 3.36Å; A453-K456 PolarHBondContact O-N 3.34Å; K456-R458 VanDerWaalsContact C-N 3.29Å; K456-R458 PolarHBondContact O-N 3.36Å; K456-M459 PolarHBondContact O-N 3.16Å; K456-M459 VanDerWaalsContact O-N 3.16Å; K456-V460 WeakPolarHBondContact O-CG2 3.43Å; K456-V460 PolarHBondContact O-N 3.4Å
457K63.8Low63Low163 Ų163136.1 Ų136.171%0.70966%0.657SS**Hα-helixtrans-61.6-34.9173.1-94.5-178.1176.7173.60112.6A453 E454 L455A453-K457 PolarHBondContact O-N 3Å; E454-K457 PolarHBondContact O-N 2.9Å; L455-K457 PolarHBondContact O-N 3.48Å
458R60.4Low62.4Low182 Ų182136.5 Ų136.569%0.68766%0.663SS**Hα-helixtrans-69.4-37.1173.2-74.8-177.6179.4-171.81112.3E454 L455 K456 R461E454-R458 PolarHBondContact O-N 3.37Å; L455-R458 WeakPolarHBondContact O-CB 3.47Å; L455-R458 PolarHBondContact O-N 2.97Å; L455-R458 VanDerWaalsContact O-N 3.14Å; K456-R458 VanDerWaalsContact C-N 3.29Å; K456-R458 PolarHBondContact O-N 3.36Å; R458-R461 PolarHBondContact O-N 3.01Å
459M51.9Low61.7Low137 Ų137138.1 Ų138.168%0.67567%0.668SS**Hα-helixtrans-69.6-35.1176.9-71.6-175.970.400113.4L455 K456 R461 M462L455-M459 PolarHBondContact O-N 3.14Å; K456-M459 PolarHBondContact O-N 3.16Å; K456-M459 VanDerWaalsContact O-N 3.16Å; M459-R461 PolarHBondContact O-N 3.08Å; M459-M462 PolarHBondContact O-N 3.31Å; M459-M462 VanDerWaalsContact O-N 3.08Å
460V53.9Low60.9Low112 Ų112138.1 Ų138.168%0.67967%0.669SS**Hα-helixtrans-69.3-17.9176.6175.40000112.5K456 M462K456-V460 WeakPolarHBondContact O-CG2 3.43Å; K456-V460 PolarHBondContact O-N 3.4Å; V460-M462 VanDerWaalsContact C-N 3.3Å
461R51.4Low60Low225 Ų225138.7 Ų138.785%0.84967%0.674SS**THydrogen-bonded Turntrans-83.90.4171.3-73.2-175.5179.4-179.4-0.3114.1R458 M459R458-R461 PolarHBondContact O-N 3.01Å; M459-R461 PolarHBondContact O-N 3.08Å
462M43.9Very low59.2Low169 Ų169138.4 Ų138.483%0.83368%0.679SS**THydrogen-bonded Turntrans-107.98.9178.2-76-17169.900113.8M459 V460M459-M462 PolarHBondContact O-N 3.31Å; M459-M462 VanDerWaalsContact O-N 3.08Å; V460-M462 VanDerWaalsContact C-N 3.3Å
463V44.9Very low58.2Low188 Ų188145 Ų145100%1.13970%0.703SS**  trans-104.40161.5-175.20000107.1

Retrieved 463 of 463 residues in 1061.4 ms (Link to these results)

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