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14-3-3 protein beta/alpha

Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif. Binding generally results in the modulation of the activity of the binding partner (By similarity).

AlphaFold DB , UniProt , Accession Q5ZLQ6, Species CHICK (Gallus gallus, Chicken), Gene YWHAB, Length 244 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
1M70.8Confident94.6Very high143 Ų14367 Ų6770%0.70433%0.334SS*.  0130.70-167.6171.3-73.100105.7E5 L6M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CG-CB 3.47Å; M1-E5 VanDerWaalsContact CG-CB 3.47Å; M1-E5 HydrophobicContact CG-CG 4.41Å; M1-E5 WeakPolarHBondContact CG-OE2 3.42Å; M1-E5 HydrophobicContact SD-CB 4.11Å; M1-L6 HydrophobicContact CB-CD1 4.48Å; M1-L6 HydrophobicContact CB-CD2 4.19Å; M1-L6 HydrophobicContact CB-CG 4.03Å; M1-L6 HydrophobicContact CG-CD2 4.04Å; M1-L6 HydrophobicContact CG-CG 3.8Å; M1-L6 HydrophobicContact SD-CD2 3.41Å; M1-L6 WeakPolarHBondContact SD-CD2 3.39Å; M1-L6 HydrophobicContact SD-CG 3.75Å
2D92.2Very high94.9Very high94 Ų9469.7 Ų69.750%0.50335%0.35SS..  trans-68.6157.1177.8178.838.3000110.5S4 E5 L6D2-S4 PolarHBondContact O-N 3.19Å; D2-S4 WeakPolarHBondContact OD2-CB 3.49Å; D2-S4 PolarHBondContact OD2-N 3.01Å; D2-S4 PolarHBondContact OD2-OG 3.28Å; D2-E5 HydrophobicContact CB-CG 4.36Å; D2-E5 PolarHBondContact N-OE2 3.27Å; D2-E5 PolarHBondContact O-N 3.07Å; D2-L6 PolarHBondContact O-N 2.92Å; D2-L6 VanDerWaalsContact O-N 3.1Å
3K95.2Very high95.2Very high43 Ų4364.9 Ų64.919%0.18733%0.328CS..Hα-helixtrans-52.5-43.8176.7-166-174.4-176.8-161.40111.3E5 L6 V7 V29 E40K3-E5 PolarHBondContact O-N 3.1Å; K3-L6 PolarHBondContact O-N 3.22Å; K3-V7 WeakPolarHBondContact O-CG2 3.46Å; K3-V7 PolarHBondContact O-N 3.41Å; K3-V29 HydrophobicContact CD-CG1 4.45Å; K3-V29 HydrophobicContact CG-CG1 3.96Å; K3-V29 HydrophobicContact CG-CG2 4.48Å; K3-E40 VanDerWaalsContact CE-CD 3.4Å; K3-E40 WeakPolarHBondContact CE-OE1 3.38Å; K3-E40 WeakPolarHBondContact CE-OE2 3.43Å; K3-E40 IonicContact NZ-OE1 3.8Å; K3-E40 PolarHBondContact NZ-OE1 3.45Å; K3-E40 IonicContact NZ-OE2 2.72Å; K3-E40 PolarHBondContact NZ-OE2 3.25Å
4S95.9Very high95.4Very high74 Ų7465.3 Ų65.352%0.51733%0.328SS..Hα-helixtrans-61.9-42.8-179.266.20000112.7D2 V7 Q8D2-S4 PolarHBondContact O-N 3.19Å; D2-S4 WeakPolarHBondContact OD2-CB 3.49Å; D2-S4 PolarHBondContact OD2-N 3.01Å; D2-S4 PolarHBondContact OD2-OG 3.28Å; S4-V7 PolarHBondContact O-N 3.39Å; S4-Q8 WeakPolarHBondContact O-CB 3.39Å; S4-Q8 PolarHBondContact O-N 3.29Å
5E97.2Very high95.6Very high110 Ų11071.3 Ų71.351%0.51435%0.354SS..Hα-helixtrans-64.9-41.3176.6-66.9177.3152.200111.7M1 D2 K3 Q8 K9M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CG-CB 3.47Å; M1-E5 VanDerWaalsContact CG-CB 3.47Å; M1-E5 HydrophobicContact CG-CG 4.41Å; M1-E5 WeakPolarHBondContact CG-OE2 3.42Å; M1-E5 HydrophobicContact SD-CB 4.11Å; D2-E5 HydrophobicContact CB-CG 4.36Å; D2-E5 PolarHBondContact N-OE2 3.27Å; D2-E5 PolarHBondContact O-N 3.07Å; K3-E5 PolarHBondContact O-N 3.1Å; E5-Q8 PolarHBondContact O-N 3.15Å; E5-K9 WeakPolarHBondContact O-CB 3.42Å; E5-K9 PolarHBondContact O-N 2.65Å
6L98Very high95.8Very high14 Ų1470.7 Ų70.77%0.07336%0.364CS..Hα-helixtrans-66.2-43.5177.2-72.7166.2000111.9M1 D2 K3 Q8 K9 A10 A28 V29M1-L6 HydrophobicContact CB-CD1 4.48Å; M1-L6 HydrophobicContact CB-CD2 4.19Å; M1-L6 HydrophobicContact CB-CG 4.03Å; M1-L6 HydrophobicContact CG-CD2 4.04Å; M1-L6 HydrophobicContact CG-CG 3.8Å; M1-L6 HydrophobicContact SD-CD2 3.41Å; M1-L6 WeakPolarHBondContact SD-CD2 3.39Å; M1-L6 HydrophobicContact SD-CG 3.75Å; D2-L6 PolarHBondContact O-N 2.92Å; D2-L6 VanDerWaalsContact O-N 3.1Å; K3-L6 PolarHBondContact O-N 3.22Å; L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 PolarHBondContact O-N 2.98Å; L6-K9 WeakPolarHBondContact O-CB 3.36Å; L6-K9 PolarHBondContact O-N 3.33Å; L6-A10 PolarHBondContact O-N 3.48Å; L6-A28 HydrophobicContact CD1-CB 3.86Å; L6-A28 HydrophobicContact CD2-CB 4.01Å; L6-V29 HydrophobicContact CB-CG2 3.41Å; L6-V29 VanDerWaalsContact CB-CG2 3.41Å; L6-V29 HydrophobicContact CD1-CG2 4.03Å; L6-V29 HydrophobicContact CG-CG2 4.35Å
7V98.3Very high95.9Very high13 Ų1375.1 Ų75.18%0.07938%0.383CS..Hα-helixtrans-62.5-42.4175.7170.40000110.5K3 S4 K9 A10 K11 V29 E40 L43K3-V7 WeakPolarHBondContact O-CG2 3.46Å; K3-V7 PolarHBondContact O-N 3.41Å; S4-V7 PolarHBondContact O-N 3.39Å; V7-K9 VanDerWaalsContact C-N 3.33Å; V7-K9 PolarHBondContact O-N 3.24Å; V7-A10 WeakPolarHBondContact O-CB 3.33Å; V7-A10 PolarHBondContact O-N 3.45Å; V7-K11 HydrophobicContact CG1-CD 4.5Å; V7-K11 WeakPolarHBondContact O-CG 3.25Å; V7-K11 PolarHBondContact O-N 3.16Å; V7-V29 HydrophobicContact CG2-CG1 4.36Å; V7-V29 HydrophobicContact CG2-CG2 3.94Å; V7-E40 HydrophobicContact CG2-CG 3.99Å; V7-L43 HydrophobicContact CG1-CD1 4.01Å
8Q98.1Very high96Very high99 Ų9978.8 Ų78.846%0.46339%0.391SS..Hα-helixtrans-63.2-39.8175.4-174.559.126.900112S4 E5 L6 A10 K11 L12S4-Q8 WeakPolarHBondContact O-CB 3.39Å; S4-Q8 PolarHBondContact O-N 3.29Å; E5-Q8 PolarHBondContact O-N 3.15Å; L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 PolarHBondContact O-N 2.98Å; Q8-A10 VanDerWaalsContact C-N 3.34Å; Q8-K11 PolarHBondContact O-N 3.15Å; Q8-L12 WeakPolarHBondContact O-CG 3.4Å; Q8-L12 PolarHBondContact O-N 2.98Å
9K98.1Very high96.1Very high101 Ų10177.4 Ų77.444%0.43938%0.382SS..Hα-helixtrans-61.8-41.7173.9-174.5-178.6177-172.80111.6E5 L6 V7 L12 A13 A25E5-K9 WeakPolarHBondContact O-CB 3.42Å; E5-K9 PolarHBondContact O-N 2.65Å; L6-K9 WeakPolarHBondContact O-CB 3.36Å; L6-K9 PolarHBondContact O-N 3.33Å; V7-K9 VanDerWaalsContact C-N 3.33Å; V7-K9 PolarHBondContact O-N 3.24Å; K9-L12 PolarHBondContact O-N 3.17Å; K9-A13 WeakPolarHBondContact O-CB 3.44Å; K9-A13 PolarHBondContact O-N 3.28Å; K9-A25 HydrophobicContact CB-CB 4.49Å; K9-A25 HydrophobicContact CD-CB 4.41Å; K9-A25 HydrophobicContact CG-CB 4.47Å
10A98.5Very high96.2Very high0 Ų077.7 Ų77.70%039%0.385CS..Hα-helixtrans-62-43.6175.900000111.8L6 V7 Q8 L12 A13 E14 M22 A25 M26L6-A10 PolarHBondContact O-N 3.48Å; V7-A10 WeakPolarHBondContact O-CB 3.33Å; V7-A10 PolarHBondContact O-N 3.45Å; Q8-A10 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 2.6Å; A10-A13 WeakPolarHBondContact O-CB 3.35Å; A10-A13 PolarHBondContact O-N 3.41Å; A10-E14 PolarHBondContact O-N 2.62Å; A10-M22 HydrophobicContact CB-CG 4.05Å; A10-A25 HydrophobicContact CB-CB 4.07Å; A10-M26 HydrophobicContact CB-CG 3.74Å; A10-M26 HydrophobicContact CB-SD 3.58Å; A10-M26 VanDerWaalsContact CB-SD 3.58Å
11K98.5Very high96.3Very high46 Ų4676.5 Ų76.520%0.238%0.38CS..Hα-helixtrans-62.5-39.9175.7-67.8179.5-173.9-172.90112.6V7 Q8 E14 Q15 E39 L43V7-K11 HydrophobicContact CG1-CD 4.5Å; V7-K11 WeakPolarHBondContact O-CG 3.25Å; V7-K11 PolarHBondContact O-N 3.16Å; Q8-K11 PolarHBondContact O-N 3.15Å; K11-E14 PolarHBondContact O-N 2.7Å; K11-Q15 WeakPolarHBondContact O-CG 3.38Å; K11-Q15 PolarHBondContact O-N 2.93Å; K11-Q15 VanDerWaalsContact O-N 3.16Å; K11-E39 WeakPolarHBondContact CE-OE1 3.18Å; K11-E39 IonicContact NZ-OE1 2.71Å; K11-E39 PolarHBondContact NZ-OE1 3.49Å; K11-E39 IonicContact NZ-OE2 2.62Å; K11-E39 PolarHBondContact NZ-OE2 3Å; K11-L43 HydrophobicContact CG-CD1 4.03Å; K11-L43 HydrophobicContact CG-CD2 4.21Å
12L98.6Very high97.6Very high99 Ų9969.7 Ų69.752%0.51835%0.346SS..Hα-helixtrans-66.1-39.9174.2-70.3172000111.8Q8 K9 A10 Q15 A16Q8-L12 WeakPolarHBondContact O-CG 3.4Å; Q8-L12 PolarHBondContact O-N 2.98Å; K9-L12 PolarHBondContact O-N 3.17Å; A10-L12 PolarHBondContact O-N 2.6Å; L12-Q15 PolarHBondContact O-N 3.24Å; L12-A16 PolarHBondContact O-N 3.16Å
13A98.6Very high97.9Very high8 Ų865.5 Ų65.57%0.06633%0.325CS..Hα-helixtrans-65.6-39176.400000111.9K9 A10 A16 E17 R18 D21 M22K9-A13 WeakPolarHBondContact O-CB 3.44Å; K9-A13 PolarHBondContact O-N 3.28Å; A10-A13 WeakPolarHBondContact O-CB 3.35Å; A10-A13 PolarHBondContact O-N 3.41Å; A13-A16 CarbonylContact O-C 3.53Å; A13-A16 PolarHBondContact O-N 3.45Å; A13-E17 PolarHBondContact O-N 3.01Å; A13-R18 HydrophobicContact CB-CB 4.4Å; A13-R18 PolarHBondContact O-N 3.28Å; A13-D21 HydrophobicContact CB-CB 3.97Å; A13-M22 HydrophobicContact CB-CB 3.89Å
14E98.3Very high98.1Very high70 Ų7066.4 Ų66.433%0.32734%0.34SS..Hα-helixtrans-58.8-49.1173.5-177179.6-148.800111.8A10 K11 A16 E17 M22 L43A10-E14 PolarHBondContact O-N 2.62Å; K11-E14 PolarHBondContact O-N 2.7Å; E14-A16 PolarHBondContact O-N 3.47Å; E14-E17 PolarHBondContact O-N 3.47Å; E14-M22 HydrophobicContact CB-CE 3.98Å; E14-M22 HydrophobicContact CB-SD 3.88Å; E14-M22 HydrophobicContact CG-CE 4.19Å; E14-M22 HydrophobicContact CG-SD 4.33Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.42Å
15Q97.9Very high98.2Very high155 Ų15563 Ų6372%0.72432%0.316SS*.Hα-helixtrans-62.7-25.6178-70175.730.500113.3K11 L12K11-Q15 WeakPolarHBondContact O-CG 3.38Å; K11-Q15 PolarHBondContact O-N 2.93Å; K11-Q15 VanDerWaalsContact O-N 3.16Å; L12-Q15 PolarHBondContact O-N 3.24Å
16A98Very high98.3Very high62 Ų6257.7 Ų57.751%0.51229%0.292SS..THydrogen-bonded Turntrans-955.2176.200000113.1L12 A13 E14 R18L12-A16 PolarHBondContact O-N 3.16Å; A13-A16 CarbonylContact O-C 3.53Å; A13-A16 PolarHBondContact O-N 3.45Å; E14-A16 PolarHBondContact O-N 3.47Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 PolarHBondContact O-N 3.35Å; A16-R18 VanDerWaalsContact O-N 3.1Å
17E97.8Very high98.3Very high145 Ų14559.7 Ų59.768%0.67830%0.3SS*.THydrogen-bonded Turntrans53.327.7-175.1-57.3-175.6161.700113.6A13 E14 Y19A13-E17 PolarHBondContact O-N 3.01Å; E14-E17 PolarHBondContact O-N 3.47Å; E17-Y19 HydrophobicContact CB-CE2 3.98Å; E17-Y19 WeakPolarHBondContact O-CD2 3.33Å; E17-Y19 PolarHBondContact O-N 3.49Å
18R98.3Very high98.3Very high142 Ų14260.7 Ų60.754%0.53631%0.309SS..  trans-9268.6178-68-160.562.9177.6-11.8110.7A13 A16 D20 D21 M22A13-R18 HydrophobicContact CB-CB 4.4Å; A13-R18 PolarHBondContact O-N 3.28Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 PolarHBondContact O-N 3.35Å; A16-R18 VanDerWaalsContact O-N 3.1Å; R18-D20 VanDerWaalsContact C-N 3.31Å; R18-D20 PolarHBondContact O-N 3.42Å; R18-D21 HydrophobicContact CB-CB 4.18Å; R18-D21 IonicContact CZ-OD1 3.35Å; R18-D21 IonicContact CZ-OD2 2.93Å; R18-D21 IonicContact NE-OD1 2.85Å; R18-D21 IonicContact NE-OD2 2.69Å; R18-D21 PolarHBondContact NE-OD2 3.49Å; R18-D21 IonicContact NH1-OD2 2.63Å; R18-D21 VanDerWaalsContact NH2-CG 3.31Å; R18-D21 IonicContact NH2-OD1 2.93Å; R18-D21 PolarHBondContact NH2-OD1 3.21Å; R18-D21 IonicContact NH2-OD2 2.8Å; R18-D21 PolarHBondContact NH2-OD2 2.6Å; R18-D21 WeakPolarHBondContact O-CB 3.43Å; R18-D21 PolarHBondContact O-N 2.96Å; R18-D21 VanDerWaalsContact O-N 3.08Å; R18-M22 PolarHBondContact O-N 3.43Å
19Y98.4Very high98.3Very high53 Ų5356 Ų5621%0.20829%0.288CS..Hα-helixtrans-65.8-27.8-171.5-57-68.8000114.6E17 M22 A23 V46 N50 V51E17-Y19 HydrophobicContact CB-CE2 3.98Å; E17-Y19 WeakPolarHBondContact O-CD2 3.33Å; E17-Y19 PolarHBondContact O-N 3.49Å; Y19-M22 HydrophobicContact CD1-SD 4Å; Y19-M22 WeakPolarHBondContact O-CB 3.41Å; Y19-M22 PolarHBondContact O-N 3.1Å; Y19-A23 WeakPolarHBondContact O-CB 3.49Å; Y19-A23 PolarHBondContact O-N 3.44Å; Y19-V46 HydrophobicContact CE1-CG1 4.36Å; Y19-N50 HydrophobicContact CD1-CB 3.61Å; Y19-N50 HydrophobicContact CD2-CB 3.38Å; Y19-N50 HydrophobicContact CE1-CB 3.95Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.37Å; Y19-N50 HydrophobicContact CE2-CB 3.7Å; Y19-N50 HydrophobicContact CG-CB 3.3Å; Y19-V51 VanDerWaalsContact C-CG2 3.41Å; Y19-V51 WeakPolarHBondContact O-CG2 3.21Å
20D98.1Very high98.3Very high83 Ų8351.3 Ų51.344%0.44427%0.267SS..Hα-helixtrans-65-39.9172.4-58.2-89.8000111.2R18 M22 A23 A24 R55R18-D20 VanDerWaalsContact C-N 3.31Å; R18-D20 PolarHBondContact O-N 3.42Å; D20-M22 VanDerWaalsContact C-N 3.35Å; D20-A23 PolarHBondContact O-N 3.34Å; D20-A24 PolarHBondContact O-N 2.87Å; D20-R55 IonicContact OD1-CZ 3Å; D20-R55 IonicContact OD1-NH1 2.62Å; D20-R55 PolarHBondContact OD1-NH1 3.11Å; D20-R55 VanDerWaalsContact OD1-NH1 3.14Å; D20-R55 IonicContact OD1-NH2 2.63Å; D20-R55 PolarHBondContact OD1-NH2 3.34Å; D20-R55 IonicContact OD2-NH1 3.84Å
21D98.3Very high98.3Very high52 Ų5255.3 Ų55.328%0.27829%0.286SS..Hα-helixtrans-67.7-38.2175.1-65.47.6000111A13 R18 A24 A25A13-D21 HydrophobicContact CB-CB 3.97Å; R18-D21 HydrophobicContact CB-CB 4.18Å; R18-D21 IonicContact CZ-OD1 3.35Å; R18-D21 IonicContact CZ-OD2 2.93Å; R18-D21 IonicContact NE-OD1 2.85Å; R18-D21 IonicContact NE-OD2 2.69Å; R18-D21 PolarHBondContact NE-OD2 3.49Å; R18-D21 IonicContact NH1-OD2 2.63Å; R18-D21 VanDerWaalsContact NH2-CG 3.31Å; R18-D21 IonicContact NH2-OD1 2.93Å; R18-D21 PolarHBondContact NH2-OD1 3.21Å; R18-D21 IonicContact NH2-OD2 2.8Å; R18-D21 PolarHBondContact NH2-OD2 2.6Å; R18-D21 WeakPolarHBondContact O-CB 3.43Å; R18-D21 PolarHBondContact O-N 2.96Å; R18-D21 VanDerWaalsContact O-N 3.08Å; D21-A24 PolarHBondContact O-N 2.94Å; D21-A25 WeakPolarHBondContact O-CB 3.44Å; D21-A25 PolarHBondContact O-N 2.75Å
22M98.3Very high98.2Very high0 Ų056.5 Ų56.50%029%0.292CS..Hα-helixtrans-62.9-45175.8-166.4-171.5176.800110.9A10 A13 E14 R18 Y19 D20 A25 M26 L43 V46 A47A10-M22 HydrophobicContact CB-CG 4.05Å; A13-M22 HydrophobicContact CB-CB 3.89Å; E14-M22 HydrophobicContact CB-CE 3.98Å; E14-M22 HydrophobicContact CB-SD 3.88Å; E14-M22 HydrophobicContact CG-CE 4.19Å; E14-M22 HydrophobicContact CG-SD 4.33Å; R18-M22 PolarHBondContact O-N 3.43Å; Y19-M22 HydrophobicContact CD1-SD 4Å; Y19-M22 WeakPolarHBondContact O-CB 3.41Å; Y19-M22 PolarHBondContact O-N 3.1Å; D20-M22 VanDerWaalsContact C-N 3.35Å; M22-A25 PolarHBondContact O-N 3.01Å; M22-M26 WeakPolarHBondContact O-CB 3.44Å; M22-M26 WeakPolarHBondContact O-CG 3.4Å; M22-M26 PolarHBondContact O-N 3.19Å; M22-L43 HydrophobicContact CE-CB 3.94Å; M22-L43 HydrophobicContact CE-CD2 3.49Å; M22-L43 VanDerWaalsContact CE-CD2 3.49Å; M22-L43 HydrophobicContact CE-CG 4.33Å; M22-L43 WeakPolarHBondContact CE-O 3.44Å; M22-V46 HydrophobicContact CE-CB 4.04Å; M22-V46 HydrophobicContact CE-CG1 3.97Å; M22-V46 HydrophobicContact SD-CG1 4.3Å; M22-A47 HydrophobicContact CB-CB 3.88Å; M22-A47 HydrophobicContact CE-CB 4.21Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 HydrophobicContact SD-CB 3.63Å
23A98.5Very high98Very high7 Ų753.1 Ų53.16%0.05828%0.281CS..Hα-helixtrans-63.7-45.3177.800000111Y19 D20 A25 M26 K27 A47 Y48 V51Y19-A23 WeakPolarHBondContact O-CB 3.49Å; Y19-A23 PolarHBondContact O-N 3.44Å; D20-A23 PolarHBondContact O-N 3.34Å; A23-A25 VanDerWaalsContact C-N 3.34Å; A23-A25 PolarHBondContact O-N 3.11Å; A23-M26 PolarHBondContact O-N 3.16Å; A23-K27 WeakPolarHBondContact O-CB 3.4Å; A23-K27 PolarHBondContact O-N 3.46Å; A23-A47 HydrophobicContact CB-CB 4.15Å; A23-Y48 HydrophobicContact CB-CD1 4.16Å; A23-Y48 HydrophobicContact CB-CD2 4.29Å; A23-Y48 HydrophobicContact CB-CE1 4.02Å; A23-Y48 HydrophobicContact CB-CE2 4.1Å; A23-Y48 HydrophobicContact CB-CG 4.33Å; A23-V51 HydrophobicContact CB-CG2 4.3Å
24A98.4Very high97.8Very high61 Ų6158.5 Ų58.550%0.50431%0.305SS..Hα-helixtrans-60.8-41176.500000112.7D20 D21 A28D20-A24 PolarHBondContact O-N 2.87Å; D21-A24 PolarHBondContact O-N 2.94Å; A24-A28 PolarHBondContact O-N 2.93Å
25A98.5Very high97.7Very high2 Ų258.3 Ų58.32%0.01730%0.304CS..Hα-helixtrans-66.9-46.6176.300000111.9K9 A10 D21 M22 A23 A28 V29K9-A25 HydrophobicContact CB-CB 4.49Å; K9-A25 HydrophobicContact CD-CB 4.41Å; K9-A25 HydrophobicContact CG-CB 4.47Å; A10-A25 HydrophobicContact CB-CB 4.07Å; D21-A25 WeakPolarHBondContact O-CB 3.44Å; D21-A25 PolarHBondContact O-N 2.75Å; M22-A25 PolarHBondContact O-N 3.01Å; A23-A25 VanDerWaalsContact C-N 3.34Å; A23-A25 PolarHBondContact O-N 3.11Å; A25-A28 PolarHBondContact O-N 2.85Å; A25-V29 WeakPolarHBondContact O-CG2 3.4Å; A25-V29 PolarHBondContact O-N 3.4Å
26M98.6Very high97.7Very high0 Ų051.3 Ų51.30%027%0.271CS..Hα-helixtrans-72-29.2-178.9-69.4-52.2-51.900113.4A10 M22 A23 V29 T30 E40 L43 L44A10-M26 HydrophobicContact CB-CG 3.74Å; A10-M26 HydrophobicContact CB-SD 3.58Å; A10-M26 VanDerWaalsContact CB-SD 3.58Å; M22-M26 WeakPolarHBondContact O-CB 3.44Å; M22-M26 WeakPolarHBondContact O-CG 3.4Å; M22-M26 PolarHBondContact O-N 3.19Å; A23-M26 PolarHBondContact O-N 3.16Å; M26-V29 HydrophobicContact CE-CB 4.21Å; M26-V29 HydrophobicContact CE-CG1 4.17Å; M26-V29 PolarHBondContact O-N 3.43Å; M26-V29 HydrophobicContact SD-CG2 4.41Å; M26-T30 WeakPolarHBondContact O-CB 3.5Å; M26-T30 PolarHBondContact O-N 3.47Å; M26-T30 PolarHBondContact O-OG1 2.99Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.43Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.17Å; M26-L43 HydrophobicContact SD-CB 3.87Å; M26-L43 HydrophobicContact SD-CD1 4.32Å; M26-L44 HydrophobicContact CB-CB 4.26Å; M26-L44 HydrophobicContact CB-CD1 3.67Å; M26-L44 HydrophobicContact CE-CB 4.27Å
27K98.5Very high97.7Very high56 Ų5650.9 Ų50.924%0.24327%0.265CS..Hα-helixtrans-58.4-52.3167173.4164.4-179.7177.30110.6A23 V29 T30 E31 D96 L100A23-K27 WeakPolarHBondContact O-CB 3.4Å; A23-K27 PolarHBondContact O-N 3.46Å; K27-V29 PolarHBondContact O-N 2.87Å; K27-T30 WeakPolarHBondContact O-CB 3.24Å; K27-T30 PolarHBondContact O-N 3.1Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 HydrophobicContact CG-CG 4.32Å; K27-E31 IonicContact NZ-OE1 2.7Å; K27-E31 WeakPolarHBondContact O-CG 3.47Å; K27-E31 PolarHBondContact O-N 3.41Å; K27-D96 WeakPolarHBondContact CD-OD1 3.33Å; K27-D96 VanDerWaalsContact CE-OD1 3.28Å; K27-D96 WeakPolarHBondContact CE-OD1 3.46Å; K27-D96 IonicContact NZ-OD1 2.68Å; K27-D96 PolarHBondContact NZ-OD1 3.16Å; K27-D96 IonicContact NZ-OD2 3.69Å; K27-L100 HydrophobicContact CB-CD1 4.05Å; K27-L100 HydrophobicContact CD-CD1 4.43Å; K27-L100 HydrophobicContact CG-CD1 4Å; K27-L100 HydrophobicContact CG-CD2 4.12Å
28A98.3Very high97.5Very high34 Ų3448 Ų4828%0.28125%0.254SS..Hα-helixtrans-62.7-28.4178.200000113.4L6 A24 A25 Q32L6-A28 HydrophobicContact CD1-CB 3.86Å; L6-A28 HydrophobicContact CD2-CB 4.01Å; A24-A28 PolarHBondContact O-N 2.93Å; A25-A28 PolarHBondContact O-N 2.85Å; A28-Q32 WeakPolarHBondContact O-CG 3.47Å
29V98.4Very high97.5Very high1 Ų146.3 Ų46.31%0.00625%0.252CS..Hα-helixtrans-68.5-46.4170.2170.50000110.9K3 L6 V7 A25 M26 K27 Q32 L36K3-V29 HydrophobicContact CD-CG1 4.45Å; K3-V29 HydrophobicContact CG-CG1 3.96Å; K3-V29 HydrophobicContact CG-CG2 4.48Å; L6-V29 HydrophobicContact CB-CG2 3.41Å; L6-V29 VanDerWaalsContact CB-CG2 3.41Å; L6-V29 HydrophobicContact CD1-CG2 4.03Å; L6-V29 HydrophobicContact CG-CG2 4.35Å; V7-V29 HydrophobicContact CG2-CG1 4.36Å; V7-V29 HydrophobicContact CG2-CG2 3.94Å; A25-V29 WeakPolarHBondContact O-CG2 3.4Å; A25-V29 PolarHBondContact O-N 3.4Å; M26-V29 HydrophobicContact CE-CB 4.21Å; M26-V29 HydrophobicContact CE-CG1 4.17Å; M26-V29 PolarHBondContact O-N 3.43Å; M26-V29 HydrophobicContact SD-CG2 4.41Å; K27-V29 PolarHBondContact O-N 2.87Å; V29-Q32 WeakPolarHBondContact O-CB 3.29Å; V29-Q32 PolarHBondContact O-N 3.2Å; V29-L36 HydrophobicContact CG1-CD2 3.79Å
30T98.3Very high97.4Very high1 Ų144.9 Ų44.91%0.00625%0.247CC..Hα-helixtrans-65.4-40.6-176.9-57.70000111.9M26 K27 Q32 G33 L100 Y104 L105M26-T30 WeakPolarHBondContact O-CB 3.5Å; M26-T30 PolarHBondContact O-N 3.47Å; M26-T30 PolarHBondContact O-OG1 2.99Å; K27-T30 WeakPolarHBondContact O-CB 3.24Å; K27-T30 PolarHBondContact O-N 3.1Å; T30-Q32 PolarHBondContact O-N 3.18Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; T30-G33 PolarHBondContact O-N 3.01Å; T30-L100 HydrophobicContact CG2-CB 4.17Å; T30-L100 HydrophobicContact CG2-CD2 4.01Å; T30-Y104 HydrophobicContact CG2-CG 4.34Å; T30-L105 HydrophobicContact CG2-CD1 4.09Å; T30-L105 HydrophobicContact CG2-CD2 3.6Å; T30-L105 HydrophobicContact CG2-CG 3.72Å
31E97.9Very high97.4Very high85 Ų8541.3 Ų41.340%0.39723%0.228SC..THydrogen-bonded Turntrans-68-9.2-179.9-70.4176.5151.400113.8K27 G33 L100 Y104K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 HydrophobicContact CG-CG 4.32Å; K27-E31 IonicContact NZ-OE1 2.7Å; K27-E31 WeakPolarHBondContact O-CG 3.47Å; K27-E31 PolarHBondContact O-N 3.41Å; E31-G33 PolarHBondContact O-N 3.19Å; E31-L100 HydrophobicContact CG-CD2 3.75Å; E31-Y104 HydrophobicContact CG-CE2 4.02Å
32Q96.5Very high97.4Very high70 Ų7042.4 Ų42.433%0.32723%0.233SC..THydrogen-bonded Turntrans-70.1-13.2169.6-60.7-179.619.900112.5A28 V29 T30 H34A28-Q32 WeakPolarHBondContact O-CG 3.47Å; V29-Q32 WeakPolarHBondContact O-CB 3.29Å; V29-Q32 PolarHBondContact O-N 3.2Å; T30-Q32 PolarHBondContact O-N 3.18Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; Q32-H34 VanDerWaalsContact C-N 3.33Å; Q32-H34 PolarHBondContact O-N 2.93Å
33G94.7Very high97.4Very high28 Ų2842.9 Ų42.929%0.28924%0.236SC..  trans78.111.5171.400000115.6T30 E31 N108T30-G33 PolarHBondContact O-N 3.01Å; E31-G33 PolarHBondContact O-N 3.19Å; G33-N108 PolarHBondContact O-ND2 2.8Å
34H94.2Very high97.4Very high122 Ų12242.7 Ų42.757%0.56523%0.234SC*.PPolyproline II helixtrans-90.1146.9171.4-60.3-50.6000110.9Q32 L36Q32-H34 VanDerWaalsContact C-N 3.33Å; Q32-H34 PolarHBondContact O-N 2.93Å; H34-L36 PolarHBondContact O-N 3.15Å
35E96.5Very high97.4Very high66 Ų6641.2 Ų41.231%0.30822%0.22SC..PPolyproline II helixtrans-58.7131.9170.8-172.4169.1-16000109.8N108 A109 T110E35-N108 VanDerWaalsContact CD-O 3.31Å; E35-A109 WeakPolarHBondContact OE1-CA 3.27Å; E35-T110 VanDerWaalsContact CD-OG1 3.31Å; E35-T110 PolarHBondContact OE1-N 3.48Å; E35-T110 PolarHBondContact OE1-OG1 3.46Å; E35-T110 VanDerWaalsContact OE2-CG2 3.31Å; E35-T110 WeakPolarHBondContact OE2-CG2 3.38Å; E35-T110 PolarHBondContact OE2-OG1 3.26Å
36L97.9Very high97.4Very high7 Ų743.4 Ų43.44%0.03723%0.233CC..PPolyproline II helixtrans-76.8142.3179.3-60.3-171.4000110.7V29 H34 E40 R41 L44 L105V29-L36 HydrophobicContact CG1-CD2 3.79Å; H34-L36 PolarHBondContact O-N 3.15Å; L36-E40 WeakPolarHBondContact CA-OE2 3.35Å; L36-E40 HydrophobicContact CB-CB 3.94Å; L36-E40 HydrophobicContact CD1-CB 4.47Å; L36-E40 HydrophobicContact CD2-CB 4.24Å; L36-E40 HydrophobicContact CG-CB 4.44Å; L36-R41 HydrophobicContact CB-CB 4.39Å; L36-L44 HydrophobicContact CD1-CD2 4.13Å; L36-L105 HydrophobicContact CD1-CD2 3.57Å; L36-L105 HydrophobicContact CG-CD2 3.81Å
37S96.8Very high97.4Very high54 Ų5443.4 Ų43.438%0.37823%0.233SC..PPolyproline II helixtrans-67.1165.6166.276.10000111E39 E40 R41S37-E39 PolarHBondContact O-N 3.23Å; S37-E40 PolarHBondContact N-OE2 2.69Å; S37-E40 PolarHBondContact O-N 3.44Å; S37-E40 WeakPolarHBondContact OG-CG 3.44Å; S37-E40 PolarHBondContact OG-N 3.3Å; S37-R41 VanDerWaalsContact O-CB 3.28Å; S37-R41 WeakPolarHBondContact O-CB 3.2Å; S37-R41 PolarHBondContact O-N 3.03Å
38N94.9Very high97.4Very high84 Ų8441 Ų4145%0.44922%0.222SC..Hα-helixtrans-57.5-38175.8-73.1-3.9000112.3N42N38-N42 WeakPolarHBondContact O-CB 3.26Å; N38-N42 PolarHBondContact O-N 3.18Å; N38-N42 PolarHBondContact O-ND2 2.85Å; N38-N42 PolarHBondContact O-OD1 2.97Å
39E96.7Very high97.4Very high106 Ų10645.9 Ų45.950%0.49524%0.237SC..Hα-helixtrans-65-48.1176.3-173.5-179.2-147.200111.1K11 S37 N42 L43K11-E39 WeakPolarHBondContact CE-OE1 3.18Å; K11-E39 IonicContact NZ-OE1 2.71Å; K11-E39 PolarHBondContact NZ-OE1 3.49Å; K11-E39 IonicContact NZ-OE2 2.62Å; K11-E39 PolarHBondContact NZ-OE2 3Å; S37-E39 PolarHBondContact O-N 3.23Å; E39-N42 PolarHBondContact O-N 2.89Å; E39-L43 HydrophobicContact CG-CD1 4.37Å; E39-L43 WeakPolarHBondContact O-CG 3.3Å; E39-L43 PolarHBondContact O-N 3.07Å
40E98.1Very high97.4Very high23 Ų2348.6 Ų48.611%0.10725%0.252CS..Hα-helixtrans-64.7-42.6-179.7-68.8165.2169.100111.9K3 V7 M26 L36 S37 N42 L43 L44K3-E40 VanDerWaalsContact CE-CD 3.4Å; K3-E40 WeakPolarHBondContact CE-OE1 3.38Å; K3-E40 WeakPolarHBondContact CE-OE2 3.43Å; K3-E40 IonicContact NZ-OE1 3.8Å; K3-E40 PolarHBondContact NZ-OE1 3.45Å; K3-E40 IonicContact NZ-OE2 2.72Å; K3-E40 PolarHBondContact NZ-OE2 3.25Å; V7-E40 HydrophobicContact CG2-CG 3.99Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.43Å; L36-E40 WeakPolarHBondContact CA-OE2 3.35Å; L36-E40 HydrophobicContact CB-CB 3.94Å; L36-E40 HydrophobicContact CD1-CB 4.47Å; L36-E40 HydrophobicContact CD2-CB 4.24Å; L36-E40 HydrophobicContact CG-CB 4.44Å; S37-E40 PolarHBondContact N-OE2 2.69Å; S37-E40 PolarHBondContact O-N 3.44Å; S37-E40 WeakPolarHBondContact OG-CG 3.44Å; S37-E40 PolarHBondContact OG-N 3.3Å; E40-N42 VanDerWaalsContact C-N 3.32Å; E40-N42 PolarHBondContact O-N 3.3Å; E40-L43 PolarHBondContact O-N 3.1Å; E40-L44 PolarHBondContact O-N 2.87Å
41R97.8Very high97.4Very high9 Ų948.8 Ų48.83%0.03425%0.253CS..Hα-helixtrans-57.6-45173.6178.4-172.976.8-173.81.3111.4L36 S37 L44 S45 E113 F117 Y118L36-R41 HydrophobicContact CB-CB 4.39Å; S37-R41 VanDerWaalsContact O-CB 3.28Å; S37-R41 WeakPolarHBondContact O-CB 3.2Å; S37-R41 PolarHBondContact O-N 3.03Å; R41-L44 PolarHBondContact O-N 2.85Å; R41-S45 WeakPolarHBondContact O-CB 3.26Å; R41-S45 PolarHBondContact O-N 3.23Å; R41-E113 IonicContact CZ-OE1 3.41Å; R41-E113 IonicContact NH1-OE1 3.18Å; R41-E113 PolarHBondContact NH1-OE1 3.43Å; R41-E113 IonicContact NH2-OE1 3.13Å; R41-E113 PolarHBondContact NH2-OE1 2.8Å; R41-F117 VanDerWaalsContact CD-CD1 3.47Å; R41-F117 HydrophobicContact CG-CD1 3.57Å; R41-F117 HydrophobicContact CG-CE1 3.42Å; R41-F117 VanDerWaalsContact CG-CE1 3.42Å; R41-F117 HydrophobicContact CG-CE2 4.42Å; R41-F117 HydrophobicContact CG-CG 4.16Å; R41-F117 HydrophobicContact CG-CZ 3.88Å; R41-Y118 HydrophobicContact CG-CE1 3.68Å
42N96.9Very high97.4Very high75 Ų7544.8 Ų44.840%0.40123%0.234SC..Hα-helixtrans-66.4-41.8178.7-71.5-11.2000111.4N38 E39 E40 L44 S45 V46N38-N42 WeakPolarHBondContact O-CB 3.26Å; N38-N42 PolarHBondContact O-N 3.18Å; N38-N42 PolarHBondContact O-ND2 2.85Å; N38-N42 PolarHBondContact O-OD1 2.97Å; E39-N42 PolarHBondContact O-N 2.89Å; E40-N42 VanDerWaalsContact C-N 3.32Å; E40-N42 PolarHBondContact O-N 3.3Å; N42-L44 PolarHBondContact O-N 2.93Å; N42-S45 PolarHBondContact O-N 2.95Å; N42-V46 WeakPolarHBondContact O-CG2 3.36Å; N42-V46 PolarHBondContact O-N 2.69Å
43L98.5Very high97.5Very high10 Ų1042.5 Ų42.55%0.05223%0.23CC..Hα-helixtrans-59.6-45.8174.5-72.3170.2000111.9V7 K11 E14 M22 M26 E39 E40 S45 V46 A47V7-L43 HydrophobicContact CG1-CD1 4.01Å; K11-L43 HydrophobicContact CG-CD1 4.03Å; K11-L43 HydrophobicContact CG-CD2 4.21Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.42Å; M22-L43 HydrophobicContact CE-CB 3.94Å; M22-L43 HydrophobicContact CE-CD2 3.49Å; M22-L43 VanDerWaalsContact CE-CD2 3.49Å; M22-L43 HydrophobicContact CE-CG 4.33Å; M22-L43 WeakPolarHBondContact CE-O 3.44Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.17Å; M26-L43 HydrophobicContact SD-CB 3.87Å; M26-L43 HydrophobicContact SD-CD1 4.32Å; E39-L43 HydrophobicContact CG-CD1 4.37Å; E39-L43 WeakPolarHBondContact O-CG 3.3Å; E39-L43 PolarHBondContact O-N 3.07Å; E40-L43 PolarHBondContact O-N 3.1Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 3.19Å; L43-V46 PolarHBondContact O-N 3.21Å; L43-A47 WeakPolarHBondContact O-CB 3.34Å; L43-A47 PolarHBondContact O-N 3.34Å
44L98.6Very high97.6Very high2 Ų243.5 Ų43.51%0.0124%0.235CC..Hα-helixtrans-58.3-45.8175.5-179.274.2000111.2M26 L36 E40 R41 N42 A47 Y48 L100 L105M26-L44 HydrophobicContact CB-CB 4.26Å; M26-L44 HydrophobicContact CB-CD1 3.67Å; M26-L44 HydrophobicContact CE-CB 4.27Å; L36-L44 HydrophobicContact CD1-CD2 4.13Å; E40-L44 PolarHBondContact O-N 2.87Å; R41-L44 PolarHBondContact O-N 2.85Å; N42-L44 PolarHBondContact O-N 2.93Å; L44-A47 PolarHBondContact O-N 3.21Å; L44-Y48 HydrophobicContact CD1-CD2 3.69Å; L44-Y48 HydrophobicContact CD1-CE2 3.52Å; L44-Y48 HydrophobicContact CG-CD2 4.23Å; L44-Y48 HydrophobicContact CG-CE2 4.49Å; L44-Y48 PolarHBondContact O-N 3.22Å; L44-L100 HydrophobicContact CD1-CD1 4.48Å; L44-L105 HydrophobicContact CD2-CD1 3.45Å; L44-L105 VanDerWaalsContact CD2-CD1 3.45Å; L44-L105 HydrophobicContact CD2-CD2 4.41Å
45S98.3Very high97.8Very high31 Ų3140.4 Ų40.422%0.21722%0.218CC..Hα-helixtrans-63.1-47.5179.7-171.20000112.2R41 N42 L43 A47 K49R41-S45 WeakPolarHBondContact O-CB 3.26Å; R41-S45 PolarHBondContact O-N 3.23Å; N42-S45 PolarHBondContact O-N 2.95Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 3.19Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.84Å; S45-K49 WeakPolarHBondContact O-CB 3.09Å; S45-K49 PolarHBondContact O-N 2.86Å
46V98.4Very high97.9Very high48 Ų4838.5 Ų38.529%0.29121%0.208SC..Hα-helixtrans-61.1-43.7177.8168.70000111Y19 M22 N42 L43 N50Y19-V46 HydrophobicContact CE1-CG1 4.36Å; M22-V46 HydrophobicContact CE-CB 4.04Å; M22-V46 HydrophobicContact CE-CG1 3.97Å; M22-V46 HydrophobicContact SD-CG1 4.3Å; N42-V46 WeakPolarHBondContact O-CG2 3.36Å; N42-V46 PolarHBondContact O-N 2.69Å; L43-V46 PolarHBondContact O-N 3.21Å; V46-N50 PolarHBondContact O-N 3Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.28Å
47A98.6Very high97.9Very high0 Ų041.3 Ų41.30%023%0.229CC..Hα-helixtrans-56.4-61.2179.300000111.3M22 A23 L43 L44 S45 K49 N50 V51M22-A47 HydrophobicContact CB-CB 3.88Å; M22-A47 HydrophobicContact CE-CB 4.21Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 HydrophobicContact SD-CB 3.63Å; A23-A47 HydrophobicContact CB-CB 4.15Å; L43-A47 WeakPolarHBondContact O-CB 3.34Å; L43-A47 PolarHBondContact O-N 3.34Å; L44-A47 PolarHBondContact O-N 3.21Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.84Å; A47-K49 PolarHBondContact O-N 3.46Å; A47-N50 PolarHBondContact O-N 2.9Å; A47-V51 WeakPolarHBondContact O-CG2 3.28Å; A47-V51 PolarHBondContact O-N 3.45Å; A47-V51 VanDerWaalsContact O-N 3.1Å
48Y98.7Very high98Very high5 Ų541.6 Ų41.62%0.0223%0.231CC..Hα-helixtrans-72.6-27.8-175.1-78.1-79.1000113.1A23 L44 N50 V52 I93 D96 V97 L100 Y125A23-Y48 HydrophobicContact CB-CD1 4.16Å; A23-Y48 HydrophobicContact CB-CD2 4.29Å; A23-Y48 HydrophobicContact CB-CE1 4.02Å; A23-Y48 HydrophobicContact CB-CE2 4.1Å; A23-Y48 HydrophobicContact CB-CG 4.33Å; L44-Y48 HydrophobicContact CD1-CD2 3.69Å; L44-Y48 HydrophobicContact CD1-CE2 3.52Å; L44-Y48 HydrophobicContact CG-CD2 4.23Å; L44-Y48 HydrophobicContact CG-CE2 4.49Å; L44-Y48 PolarHBondContact O-N 3.22Å; Y48-N50 VanDerWaalsContact C-N 3.33Å; Y48-V52 VanDerWaalsContact O-CB 3.29Å; Y48-V52 WeakPolarHBondContact O-CB 3.4Å; Y48-V52 WeakPolarHBondContact O-CG1 3.32Å; Y48-V52 PolarHBondContact O-N 2.92Å; Y48-I93 HydrophobicContact CD1-CG2 4.12Å; Y48-D96 PolarHBondContact OH-OD2 2.95Å; Y48-V97 HydrophobicContact CD1-CG2 3.03Å; Y48-V97 HydrophobicContact CD2-CG2 3.76Å; Y48-V97 HydrophobicContact CE1-CG2 3.3Å; Y48-V97 HydrophobicContact CE2-CG2 4.02Å; Y48-V97 HydrophobicContact CG-CG2 3.25Å; Y48-L100 HydrophobicContact CE2-CD1 4.03Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.42Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.25Å; Y48-Y125 PolarHBondContact O-OH 3.33Å; Y48-Y125 VanDerWaalsContact O-OH 3.14Å
49K98.1Very high98.1Very high137 Ų13739.5 Ų39.560%0.59622%0.216SC*.Hα-helixtrans-61.2-43173.2179.1-175.3175.1-173.80111S45 A47 G53 Y125S45-K49 WeakPolarHBondContact O-CB 3.09Å; S45-K49 PolarHBondContact O-N 2.86Å; A47-K49 PolarHBondContact O-N 3.46Å; K49-G53 WeakPolarHBondContact O-CA 2.99Å; K49-G53 PolarHBondContact O-N 3.29Å; K49-Y125 PolarHBondContact N-OH 3.39Å
50N98.4Very high98.1Very high57 Ų5739.2 Ų39.231%0.30521%0.211SC..Hα-helixtrans-73-43.2179.7-78.4-71.1000112.1Y19 V46 A47 Y48 V52 G53 A54Y19-N50 HydrophobicContact CD1-CB 3.61Å; Y19-N50 HydrophobicContact CD2-CB 3.38Å; Y19-N50 HydrophobicContact CE1-CB 3.95Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.37Å; Y19-N50 HydrophobicContact CE2-CB 3.7Å; Y19-N50 HydrophobicContact CG-CB 3.3Å; V46-N50 PolarHBondContact O-N 3Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.28Å; A47-N50 PolarHBondContact O-N 2.9Å; Y48-N50 VanDerWaalsContact C-N 3.33Å; N50-V52 PolarHBondContact O-N 3.22Å; N50-G53 PolarHBondContact O-N 3.03Å; N50-A54 PolarHBondContact O-N 2.86Å
51V98.4Very high98.1Very high6 Ų642.1 Ų42.14%0.03623%0.23CC..Hα-helixtrans-58.2-50.2176.6174.80000110.9Y19 A23 A47 R55 I93Y19-V51 VanDerWaalsContact C-CG2 3.41Å; Y19-V51 WeakPolarHBondContact O-CG2 3.21Å; A23-V51 HydrophobicContact CB-CG2 4.3Å; A47-V51 WeakPolarHBondContact O-CG2 3.28Å; A47-V51 PolarHBondContact O-N 3.45Å; A47-V51 VanDerWaalsContact O-N 3.1Å; V51-R55 VanDerWaalsContact O-CD 3.31Å; V51-R55 WeakPolarHBondContact O-CD 3.2Å; V51-R55 PolarHBondContact O-N 3.47Å; V51-I93 HydrophobicContact CG1-CD1 3.61Å; V51-I93 HydrophobicContact CG1-CG1 3.91Å; V51-I93 HydrophobicContact CG1-CG2 3.92Å
52V98.4Very high98Very high1 Ų143 Ų431%0.00624%0.235CC..Hα-helixtrans-68.9-38.1179.888.70000111.6Y48 N50 A54 R55 R56 L90 I93 Y125 Y128Y48-V52 VanDerWaalsContact O-CB 3.29Å; Y48-V52 WeakPolarHBondContact O-CB 3.4Å; Y48-V52 WeakPolarHBondContact O-CG1 3.32Å; Y48-V52 PolarHBondContact O-N 2.92Å; N50-V52 PolarHBondContact O-N 3.22Å; V52-A54 VanDerWaalsContact C-N 3.34Å; V52-A54 PolarHBondContact O-N 2.91Å; V52-R55 PolarHBondContact O-N 3.1Å; V52-R56 WeakPolarHBondContact O-CG 3.36Å; V52-R56 PolarHBondContact O-N 3.46Å; V52-L90 HydrophobicContact CG2-CD1 3.38Å; V52-I93 HydrophobicContact CB-CG2 4.23Å; V52-I93 HydrophobicContact CG2-CG2 4.27Å; V52-Y125 HydrophobicContact CB-CE1 4.04Å; V52-Y125 HydrophobicContact CG1-CE1 4.04Å; V52-Y125 HydrophobicContact CG2-CD1 4.4Å; V52-Y125 HydrophobicContact CG2-CE1 4.01Å; V52-Y128 HydrophobicContact CG1-CD2 3.9Å; V52-Y128 HydrophobicContact CG1-CE2 3.74Å; V52-Y128 HydrophobicContact CG2-CD2 3.97Å
53G98Very high97.9Very high22 Ų2240.1 Ų40.123%0.22722%0.221CC..Hα-helixtrans-62.2-39.5178.800000112.9K49 N50 S57K49-G53 WeakPolarHBondContact O-CA 2.99Å; K49-G53 PolarHBondContact O-N 3.29Å; N50-G53 PolarHBondContact O-N 3.03Å; G53-S57 WeakPolarHBondContact O-CB 3.49Å; G53-S57 PolarHBondContact O-N 2.69Å; G53-S57 PolarHBondContact O-OG 2.96Å
54A98.1Very high97.6Very high48 Ų4841.6 Ų41.640%0.39723%0.232SC..Hα-helixtrans-62.7-46.8174.600000111.6N50 V52 S57 S58N50-A54 PolarHBondContact O-N 2.86Å; V52-A54 VanDerWaalsContact C-N 3.34Å; V52-A54 PolarHBondContact O-N 2.91Å; A54-S57 PolarHBondContact O-N 2.93Å; A54-S58 PolarHBondContact O-N 2.97Å; A54-S58 PolarHBondContact O-OG 3.25Å
55R98.3Very high97.3Very high57 Ų5745.7 Ų45.722%0.21525%0.253CS..Hα-helixtrans-65.8-41.6179-85.766.5179.8-165.5-6.5111.7D20 V51 V52 S57 S58 W59 I86 E89 L90 I93D20-R55 IonicContact OD1-CZ 3Å; D20-R55 IonicContact OD1-NH1 2.62Å; D20-R55 PolarHBondContact OD1-NH1 3.11Å; D20-R55 VanDerWaalsContact OD1-NH1 3.14Å; D20-R55 IonicContact OD1-NH2 2.63Å; D20-R55 PolarHBondContact OD1-NH2 3.34Å; D20-R55 IonicContact OD2-NH1 3.84Å; V51-R55 VanDerWaalsContact O-CD 3.31Å; V51-R55 WeakPolarHBondContact O-CD 3.2Å; V51-R55 PolarHBondContact O-N 3.47Å; V52-R55 PolarHBondContact O-N 3.1Å; R55-S57 VanDerWaalsContact C-N 3.33Å; R55-S57 PolarHBondContact O-N 3.42Å; R55-S58 PolarHBondContact O-N 3.35Å; R55-W59 WeakPolarHBondContact O-CB 3.4Å; R55-W59 PolarHBondContact O-N 3.4Å; R55-I86 HydrophobicContact CB-CG2 4.33Å; R55-I86 WeakPolarHBondContact O-CG2 3.48Å; R55-E89 HydrophobicContact CG-CB 4.26Å; R55-E89 IonicContact NE-OE2 3.63Å; R55-L90 HydrophobicContact CB-CB 4.46Å; R55-L90 HydrophobicContact CB-CD1 4.02Å; R55-I93 HydrophobicContact CG-CD1 3.9Å
56R97.9Very high96.9Very high27 Ų2745.4 Ų45.410%0.10225%0.248CC..Hα-helixtrans-60.9-41.2174.6-7117870.4-140.113.9112.5V52 W59 R60 L90 Y128 E131V52-R56 WeakPolarHBondContact O-CG 3.36Å; V52-R56 PolarHBondContact O-N 3.46Å; R56-W59 PolarHBondContact O-N 3.03Å; R56-R60 WeakPolarHBondContact O-CG 3.43Å; R56-R60 PolarHBondContact O-N 3.48Å; R56-L90 HydrophobicContact CG-CD1 3.73Å; R56-L90 HydrophobicContact CG-CD2 4.19Å; R56-Y128 VanDerWaalsContact CZ-CE1 3.46Å; R56-E131 IonicContact CZ-OE2 3.61Å; R56-E131 IonicContact NE-OE2 3.7Å; R56-E131 PolarHBondContact NE-OE2 3.29Å; R56-E131 IonicContact NH2-OE1 3.36Å; R56-E131 IonicContact NH2-OE2 2.82Å; R56-E131 PolarHBondContact NH2-OE2 2.76Å
57S98.1Very high96.4Very high66 Ų6649.9 Ų49.946%0.46227%0.266SS..Hα-helixtrans-64.4-46.9177.6-58.10000111.2G53 A54 R55 W59 R60 V61G53-S57 WeakPolarHBondContact O-CB 3.49Å; G53-S57 PolarHBondContact O-N 2.69Å; G53-S57 PolarHBondContact O-OG 2.96Å; A54-S57 PolarHBondContact O-N 2.93Å; R55-S57 VanDerWaalsContact C-N 3.33Å; R55-S57 PolarHBondContact O-N 3.42Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 2.88Å; S57-R60 PolarHBondContact O-N 2.68Å; S57-V61 WeakPolarHBondContact O-CG2 3.43Å; S57-V61 PolarHBondContact O-N 3.35Å
58S98.1Very high96Very high60 Ų6057.6 Ų57.642%0.4230%0.299SS..Hα-helixtrans-58.2-46.1173.6-62.50000111.7A54 R55 R60 V61 I62A54-S58 PolarHBondContact O-N 2.97Å; A54-S58 PolarHBondContact O-OG 3.25Å; R55-S58 PolarHBondContact O-N 3.35Å; S58-R60 PolarHBondContact O-N 2.93Å; S58-V61 PolarHBondContact O-N 2.94Å; S58-I62 WeakPolarHBondContact O-CG1 3.5Å; S58-I62 PolarHBondContact O-N 3.01Å
59W97.9Very high95.2Very high39 Ų3958.8 Ų58.815%0.14831%0.307CS..Hα-helixtrans-57.5-48.8178.9178.980.3000111.8R55 R56 S57 V61 I62 S63 I86 E87 E131 V132R55-W59 WeakPolarHBondContact O-CB 3.4Å; R55-W59 PolarHBondContact O-N 3.4Å; R56-W59 PolarHBondContact O-N 3.03Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 2.88Å; W59-V61 VanDerWaalsContact C-N 3.34Å; W59-V61 PolarHBondContact O-N 3.38Å; W59-I62 PolarHBondContact O-N 2.99Å; W59-S63 WeakPolarHBondContact O-CB 3.44Å; W59-S63 PolarHBondContact O-N 3.46Å; W59-S63 PolarHBondContact O-OG 2.99Å; W59-I86 HydrophobicContact CB-CG2 3.75Å; W59-E87 VanDerWaalsContact CD1-CG 3.5Å; W59-E87 PolarHBondContact NE1-OE1 2.96Å; W59-E131 HydrophobicContact CH2-CG 4.07Å; W59-E131 HydrophobicContact CZ3-CG 3.73Å; W59-V132 HydrophobicContact CD2-CG1 3.82Å; W59-V132 HydrophobicContact CE3-CG1 4.27Å; W59-V132 HydrophobicContact CG-CG1 4.22Å; W59-V132 HydrophobicContact CH2-CG1 4.3Å; W59-V132 HydrophobicContact CZ2-CB 4.42Å; W59-V132 HydrophobicContact CZ2-CG1 3.86Å; W59-V132 HydrophobicContact CZ3-CG1 4.49Å
60R96.9Very high94.1Very high100 Ų10059.8 Ų59.838%0.37731%0.314SS..Hα-helixtrans-59.2-42.9178.5-72-176.6-171.7119.3-0.1113.1R56 S57 S58 S64 E131R56-R60 WeakPolarHBondContact O-CG 3.43Å; R56-R60 PolarHBondContact O-N 3.48Å; S57-R60 PolarHBondContact O-N 2.68Å; S58-R60 PolarHBondContact O-N 2.93Å; R60-S64 WeakPolarHBondContact O-CB 3.38Å; R60-S64 PolarHBondContact O-N 2.94Å; R60-E131 IonicContact CZ-OE1 2.96Å; R60-E131 VanDerWaalsContact CZ-OE1 3.31Å; R60-E131 IonicContact NE-OE1 3.72Å; R60-E131 PolarHBondContact NE-OE1 3.37Å; R60-E131 VanDerWaalsContact NE-OE1 3.13Å; R60-E131 IonicContact NH2-OE1 2.88Å; R60-E131 PolarHBondContact NH2-OE1 3.07Å; R60-E131 IonicContact NH2-OE2 2.99Å; R60-E131 PolarHBondContact NH2-OE2 3.46Å
61V97.1Very high93.2Very high85 Ų8569.1 Ų69.152%0.51535%0.345SS..Hα-helixtrans-62.3-48.2178.5171.60000110.2S57 S58 W59 S64 I65S57-V61 WeakPolarHBondContact O-CG2 3.43Å; S57-V61 PolarHBondContact O-N 3.35Å; S58-V61 PolarHBondContact O-N 2.94Å; W59-V61 VanDerWaalsContact C-N 3.34Å; W59-V61 PolarHBondContact O-N 3.38Å; V61-S64 PolarHBondContact O-N 2.91Å; V61-I65 HydrophobicContact CG1-CD1 3.87Å; V61-I65 WeakPolarHBondContact O-CG1 3.17Å; V61-I65 PolarHBondContact O-N 3.19Å
62I96.1Very high92.6Very high28 Ų2872.1 Ų72.114%0.14436%0.361CS..Hα-helixtrans-68.2-42.1-178.4-61.8-56.5000111.5S58 W59 S64 I65 E66 G79 Y82 R83 I86S58-I62 WeakPolarHBondContact O-CG1 3.5Å; S58-I62 PolarHBondContact O-N 3.01Å; W59-I62 PolarHBondContact O-N 2.99Å; I62-S64 VanDerWaalsContact C-N 3.29Å; I62-S64 PolarHBondContact O-N 3.19Å; I62-I65 HydrophobicContact CD1-CD1 4.31Å; I62-I65 PolarHBondContact O-N 3.4Å; I62-I65 VanDerWaalsContact O-N 3.13Å; I62-E66 WeakPolarHBondContact O-CB 3.27Å; I62-E66 PolarHBondContact O-N 3.43Å; I62-G79 WeakPolarHBondContact CG2-O 3.32Å; I62-Y82 HydrophobicContact CD1-CD1 3.61Å; I62-Y82 HydrophobicContact CD1-CE1 3.81Å; I62-Y82 HydrophobicContact CG1-CD1 3.64Å; I62-Y82 HydrophobicContact CG1-CE1 3.89Å; I62-Y82 HydrophobicContact CG2-CD1 4.1Å; I62-R83 HydrophobicContact CG2-CB 3.93Å; I62-I86 HydrophobicContact CB-CD1 4.26Å; I62-I86 HydrophobicContact CG1-CD1 3.74Å
63S94Very high92.2Very high14 Ų1480.1 Ų80.110%0.09840%0.398CS..Hα-helixtrans-57.1-41.7173.3-64.60000111.8W59 Q67 R83W59-S63 WeakPolarHBondContact O-CB 3.44Å; W59-S63 PolarHBondContact O-N 3.46Å; W59-S63 PolarHBondContact O-OG 2.99Å; S63-Q67 VanDerWaalsContact O-CG 3.3Å; S63-Q67 WeakPolarHBondContact O-CG 3.38Å; S63-Q67 PolarHBondContact O-N 3.3Å; S63-Q67 VanDerWaalsContact O-N 3.12Å; S63-R83 WeakPolarHBondContact OG-CD 2.98Å
64S93.6Very high91.8Very high41 Ų4186.5 Ų86.529%0.28742%0.42SS..Hα-helixtrans-66.6-39.1175.7-167.60000112.7R60 V61 I62 K68R60-S64 WeakPolarHBondContact O-CB 3.38Å; R60-S64 PolarHBondContact O-N 2.94Å; V61-S64 PolarHBondContact O-N 2.91Å; I62-S64 VanDerWaalsContact C-N 3.29Å; I62-S64 PolarHBondContact O-N 3.19Å; S64-K68 WeakPolarHBondContact O-CG 3.48Å; S64-K68 PolarHBondContact O-N 2.89Å; S64-K68 PolarHBondContact OG-NZ 2.88Å; S64-K68 VanDerWaalsContact OG-NZ 3.13Å
65I92Very high91.4Very high87 Ų8790.3 Ų90.345%0.44643%0.427SS..Hα-helixtrans-67-44.9176.9-69.2167.3000110.7V61 I62 Q67 K68 T69V61-I65 HydrophobicContact CG1-CD1 3.87Å; V61-I65 WeakPolarHBondContact O-CG1 3.17Å; V61-I65 PolarHBondContact O-N 3.19Å; I62-I65 HydrophobicContact CD1-CD1 4.31Å; I62-I65 PolarHBondContact O-N 3.4Å; I62-I65 VanDerWaalsContact O-N 3.13Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 2.89Å; I65-K68 PolarHBondContact O-N 3.29Å; I65-T69 WeakPolarHBondContact O-CB 3.48Å; I65-T69 PolarHBondContact O-N 3.42Å; I65-T69 PolarHBondContact O-OG1 2.81Å
66E89.9Confident91.1Very high25 Ų2590.2 Ų90.212%0.11743%0.429CS..Hα-helixtrans-55.5-50.4177.2-176.9-173.8160.700110.4I62 K68 T69 R80 R83I62-E66 WeakPolarHBondContact O-CB 3.27Å; I62-E66 PolarHBondContact O-N 3.43Å; E66-K68 PolarHBondContact O-N 3.46Å; E66-T69 PolarHBondContact O-N 3.21Å; E66-R80 IonicContact OE1-CZ 3.66Å; E66-R80 VanDerWaalsContact OE1-CZ 3.29Å; E66-R80 IonicContact OE1-NH1 3.7Å; E66-R80 PolarHBondContact OE1-NH1 3.22Å; E66-R80 IonicContact OE1-NH2 3.29Å; E66-R80 PolarHBondContact OE1-NH2 3.02Å; E66-R83 IonicContact OE1-NE 3.08Å; E66-R83 IonicContact OE1-NH2 3.03Å; E66-R83 WeakPolarHBondContact OE2-CD 3.39Å; E66-R83 IonicContact OE2-CZ 3.61Å; E66-R83 IonicContact OE2-NE 3.87Å; E66-R83 PolarHBondContact OE2-NE 3.42Å; E66-R83 IonicContact OE2-NH2 3.44Å
67Q88Confident90.9Very high143 Ų14393.2 Ų93.267%0.66844%0.444SS*.Hα-helixtrans-61.4-39.2-179.9-72.9173.3-500113.2S63 I65 T69S63-Q67 VanDerWaalsContact O-CG 3.3Å; S63-Q67 WeakPolarHBondContact O-CG 3.38Å; S63-Q67 PolarHBondContact O-N 3.3Å; S63-Q67 VanDerWaalsContact O-N 3.12Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 2.89Å; Q67-T69 VanDerWaalsContact C-N 3.31Å; Q67-T69 PolarHBondContact O-N 3.27Å
68K89.8Confident90.7Very high162 Ų16295.4 Ų95.470%0.70445%0.448SS*.Hα-helixtrans-79.1-11.3-178.2-71.2169.8179.91620113.8S64 I65 E66 E70S64-K68 WeakPolarHBondContact O-CG 3.48Å; S64-K68 PolarHBondContact O-N 2.89Å; S64-K68 PolarHBondContact OG-NZ 2.88Å; S64-K68 VanDerWaalsContact OG-NZ 3.13Å; I65-K68 PolarHBondContact O-N 3.29Å; E66-K68 PolarHBondContact O-N 3.46Å; K68-E70 VanDerWaalsContact C-N 3.27Å; K68-E70 PolarHBondContact O-N 3.38Å; K68-E70 VanDerWaalsContact O-N 3.16Å
69T82Confident90.5Very high30 Ų3093 Ų9318%0.18443%0.434CS..  trans-90.245.1-173.1-55.80000111.8I65 E66 Q67 R71 K75 Q76I65-T69 WeakPolarHBondContact O-CB 3.48Å; I65-T69 PolarHBondContact O-N 3.42Å; I65-T69 PolarHBondContact O-OG1 2.81Å; E66-T69 PolarHBondContact O-N 3.21Å; Q67-T69 VanDerWaalsContact C-N 3.31Å; Q67-T69 PolarHBondContact O-N 3.27Å; T69-R71 VanDerWaalsContact C-N 3.28Å; T69-R71 PolarHBondContact O-N 3.16Å; T69-R71 VanDerWaalsContact O-N 3.13Å; T69-K75 HydrophobicContact CG2-CB 3.32Å; T69-K75 HydrophobicContact CG2-CD 4.09Å; T69-K75 HydrophobicContact CG2-CG 4.37Å; T69-Q76 HydrophobicContact CG2-CG 4.36Å; T69-Q76 WeakPolarHBondContact O-CG 3.34Å; T69-Q76 PolarHBondContact O-NE2 3.3Å
70E75.2Confident90.3Very high157 Ų15795.5 Ų95.573%0.73444%0.443SS*.THydrogen-bonded Turntrans-63.6-23.8-170.6-66.5-177.5174.400115.4K68 Q76K68-E70 VanDerWaalsContact C-N 3.27Å; K68-E70 PolarHBondContact O-N 3.38Å; K68-E70 VanDerWaalsContact O-N 3.16Å; E70-Q76 PolarHBondContact O-NE2 3.04Å
71R80Confident90.3Very high254 Ų25495.7 Ų95.796%0.95845%0.448SS*.THydrogen-bonded Turntrans-95.1-0.1-169.2-61.7-174.7-178-176.80.3115.7T69T69-R71 VanDerWaalsContact C-N 3.28Å; T69-R71 PolarHBondContact O-N 3.16Å; T69-R71 VanDerWaalsContact O-N 3.13Å
72N85.8Confident90.3Very high69 Ų6997.5 Ų97.537%0.36945%0.447SS..  trans-141.3100.3-176.5-174-43000111.1K74 K75 Q76N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 2.97Å; N72-K74 WeakPolarHBondContact OD1-CB 3.33Å; N72-K74 PolarHBondContact OD1-N 3.42Å; N72-K74 VanDerWaalsContact OD1-N 3.13Å; N72-K75 HydrophobicContact CB-CB 4.06Å; N72-K75 HydrophobicContact CB-CD 4.18Å; N72-K75 HydrophobicContact CB-CG 4.17Å; N72-K75 PolarHBondContact O-N 3.17Å; N72-K75 PolarHBondContact OD1-N 2.9Å; N72-Q76 PolarHBondContact O-N 2.87Å
73E88.9Confident90.3Very high169 Ų16998 Ų9879%0.7945%0.447SS*.Hα-helixtrans-52.8-41.8-179.5-65.5178.8171.900112.6K75 Q76 Q77E73-K75 PolarHBondContact O-N 3.03Å; E73-Q76 PolarHBondContact O-N 3.36Å; E73-Q77 WeakPolarHBondContact O-CB 3.29Å; E73-Q77 PolarHBondContact O-N 3.1Å
74K91Very high90.5Very high156 Ų156101.8 Ų101.868%0.67846%0.463SS*.Hα-helixtrans-63.4-42.7178.5-175.8176.1-179.6176.60111.7N72 Q77 M78N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 2.97Å; N72-K74 WeakPolarHBondContact OD1-CB 3.33Å; N72-K74 PolarHBondContact OD1-N 3.42Å; N72-K74 VanDerWaalsContact OD1-N 3.13Å; K74-Q77 PolarHBondContact O-N 3.44Å; K74-M78 HydrophobicContact CG-SD 4.39Å; K74-M78 VanDerWaalsContact O-CG 3.27Å; K74-M78 WeakPolarHBondContact O-CG 3.49Å; K74-M78 PolarHBondContact O-N 3.47Å
75K90Very high90.7Very high128 Ų128105.3 Ų105.356%0.55747%0.473SS*.Hα-helixtrans-69.3-36177.1-71.7-174.2176.7-173.50111.9T69 N72 E73 M78 G79T69-K75 HydrophobicContact CG2-CB 3.32Å; T69-K75 HydrophobicContact CG2-CD 4.09Å; T69-K75 HydrophobicContact CG2-CG 4.37Å; N72-K75 HydrophobicContact CB-CB 4.06Å; N72-K75 HydrophobicContact CB-CD 4.18Å; N72-K75 HydrophobicContact CB-CG 4.17Å; N72-K75 PolarHBondContact O-N 3.17Å; N72-K75 PolarHBondContact OD1-N 2.9Å; E73-K75 PolarHBondContact O-N 3.03Å; K75-M78 PolarHBondContact O-N 3.42Å; K75-G79 PolarHBondContact O-N 3.44Å
76Q91.3Very high91Very high55 Ų55101.5 Ų101.526%0.25745%0.453SS..Hα-helixtrans-62.1-46.3173.3-70.117614.100111.3T69 E70 N72 E73 M78 G79 R80T69-Q76 HydrophobicContact CG2-CG 4.36Å; T69-Q76 WeakPolarHBondContact O-CG 3.34Å; T69-Q76 PolarHBondContact O-NE2 3.3Å; E70-Q76 PolarHBondContact O-NE2 3.04Å; N72-Q76 PolarHBondContact O-N 2.87Å; E73-Q76 PolarHBondContact O-N 3.36Å; Q76-M78 VanDerWaalsContact C-N 3.35Å; Q76-M78 PolarHBondContact O-N 3.01Å; Q76-G79 PolarHBondContact O-N 2.83Å; Q76-G79 VanDerWaalsContact O-N 3.15Å; Q76-R80 WeakPolarHBondContact O-CB 3.27Å; Q76-R80 PolarHBondContact O-N 2.8Å
77Q93.1Very high91.3Very high89 Ų89101.4 Ų101.442%0.41645%0.453SS..Hα-helixtrans-60.8-44.7178.3-176.65826.100111.5E73 K74 G79 R80 E81E73-Q77 WeakPolarHBondContact O-CB 3.29Å; E73-Q77 PolarHBondContact O-N 3.1Å; K74-Q77 PolarHBondContact O-N 3.44Å; Q77-G79 VanDerWaalsContact C-N 3.31Å; Q77-G79 PolarHBondContact O-N 2.96Å; Q77-R80 PolarHBondContact O-N 3.41Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.1Å; Q77-E81 PolarHBondContact NE2-OE1 3.05Å; Q77-E81 WeakPolarHBondContact O-CG 3.45Å; Q77-E81 PolarHBondContact O-N 3.33Å
78M93.9Very high91.8Very high112 Ų11296.8 Ų96.855%0.55244%0.439SS*.Hα-helixtrans-61.1-39.4174.4-69.517567.700112.4K74 K75 Q76 Y82K74-M78 HydrophobicContact CG-SD 4.39Å; K74-M78 VanDerWaalsContact O-CG 3.27Å; K74-M78 WeakPolarHBondContact O-CG 3.49Å; K74-M78 PolarHBondContact O-N 3.47Å; K75-M78 PolarHBondContact O-N 3.42Å; Q76-M78 VanDerWaalsContact C-N 3.35Å; Q76-M78 PolarHBondContact O-N 3.01Å; M78-Y82 WeakPolarHBondContact O-CB 3.35Å; M78-Y82 PolarHBondContact O-N 2.84Å; M78-Y82 VanDerWaalsContact O-N 3.13Å
79G94Very high92.2Very high11 Ų1192.1 Ų92.111%0.11342%0.42CS..Hα-helixtrans-62.9-46.417500000112.1I62 K75 Q76 Q77 Y82 R83I62-G79 WeakPolarHBondContact CG2-O 3.32Å; K75-G79 PolarHBondContact O-N 3.44Å; Q76-G79 PolarHBondContact O-N 2.83Å; Q76-G79 VanDerWaalsContact O-N 3.15Å; Q77-G79 VanDerWaalsContact C-N 3.31Å; Q77-G79 PolarHBondContact O-N 2.96Å; G79-Y82 PolarHBondContact O-N 3.15Å; G79-R83 WeakPolarHBondContact O-CB 3.43Å; G79-R83 PolarHBondContact O-N 3.17Å
80R94.7Very high93Very high90 Ų9090.7 Ų90.734%0.3441%0.411SS..Hα-helixtrans-59.5-51.9177-178.1-176.9-50.3-60.7-9.8112.1E66 Q76 Q77 Y82 R83 E84E66-R80 IonicContact OE1-CZ 3.66Å; E66-R80 VanDerWaalsContact OE1-CZ 3.29Å; E66-R80 IonicContact OE1-NH1 3.7Å; E66-R80 PolarHBondContact OE1-NH1 3.22Å; E66-R80 IonicContact OE1-NH2 3.29Å; E66-R80 PolarHBondContact OE1-NH2 3.02Å; Q76-R80 WeakPolarHBondContact O-CB 3.27Å; Q76-R80 PolarHBondContact O-N 2.8Å; Q77-R80 PolarHBondContact O-N 3.41Å; R80-Y82 VanDerWaalsContact C-N 3.27Å; R80-Y82 PolarHBondContact O-N 3.36Å; R80-R83 WeakPolarHBondContact O-CB 3.32Å; R80-R83 PolarHBondContact O-N 3.29Å; R80-E84 VanDerWaalsContact CG-OE1 3.27Å; R80-E84 WeakPolarHBondContact CG-OE1 3.31Å; R80-E84 WeakPolarHBondContact O-CG 3.48Å; R80-E84 PolarHBondContact O-N 3.34Å
81E96.5Very high94Very high104 Ų10486.8 Ų86.849%0.48639%0.393SS..Hα-helixtrans-59.1-40.1179.3-73.9169.7-172.900111.6Q77 K85Q77-E81 WeakPolarHBondContact CG-OE1 3.1Å; Q77-E81 PolarHBondContact NE2-OE1 3.05Å; Q77-E81 WeakPolarHBondContact O-CG 3.45Å; Q77-E81 PolarHBondContact O-N 3.33Å; E81-K85 PolarHBondContact O-N 3.05Å
82Y97.1Very high94.9Very high124 Ų12480 Ų8049%0.48638%0.376SS..Hα-helixtrans-73.8-35.5178.6-162.6-118.9000112.5I62 M78 G79 R80 K85 I86I62-Y82 HydrophobicContact CD1-CD1 3.61Å; I62-Y82 HydrophobicContact CD1-CE1 3.81Å; I62-Y82 HydrophobicContact CG1-CD1 3.64Å; I62-Y82 HydrophobicContact CG1-CE1 3.89Å; I62-Y82 HydrophobicContact CG2-CD1 4.1Å; M78-Y82 WeakPolarHBondContact O-CB 3.35Å; M78-Y82 PolarHBondContact O-N 2.84Å; M78-Y82 VanDerWaalsContact O-N 3.13Å; G79-Y82 PolarHBondContact O-N 3.15Å; R80-Y82 VanDerWaalsContact C-N 3.27Å; R80-Y82 PolarHBondContact O-N 3.36Å; Y82-K85 HydrophobicContact CD2-CD 4.45Å; Y82-K85 HydrophobicContact CE2-CD 4.46Å; Y82-K85 PolarHBondContact O-N 3.25Å; Y82-I86 HydrophobicContact CD1-CD1 4.07Å; Y82-I86 HydrophobicContact CE1-CD1 3.94Å; Y82-I86 WeakPolarHBondContact O-CG1 3.07Å; Y82-I86 PolarHBondContact O-N 2.94Å; Y82-I86 VanDerWaalsContact O-N 3.17Å
83R96.5Very high95.5Very high38 Ų3877.8 Ų77.814%0.14336%0.364CS..Hα-helixtrans-59.8-51171-177.6-179.351.469.911.6110.6I62 S63 E66 G79 R80 K85 I86 E87I62-R83 HydrophobicContact CG2-CB 3.93Å; S63-R83 WeakPolarHBondContact OG-CD 2.98Å; E66-R83 IonicContact OE1-NE 3.08Å; E66-R83 IonicContact OE1-NH2 3.03Å; E66-R83 WeakPolarHBondContact OE2-CD 3.39Å; E66-R83 IonicContact OE2-CZ 3.61Å; E66-R83 IonicContact OE2-NE 3.87Å; E66-R83 PolarHBondContact OE2-NE 3.42Å; E66-R83 IonicContact OE2-NH2 3.44Å; G79-R83 WeakPolarHBondContact O-CB 3.43Å; G79-R83 PolarHBondContact O-N 3.17Å; R80-R83 WeakPolarHBondContact O-CB 3.32Å; R80-R83 PolarHBondContact O-N 3.29Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.08Å; R83-I86 PolarHBondContact O-N 2.92Å; R83-E87 HydrophobicContact CG-CG 4.41Å; R83-E87 WeakPolarHBondContact CG-OE1 3.39Å; R83-E87 IonicContact CZ-OE1 2.94Å; R83-E87 IonicContact NE-OE1 3.91Å; R83-E87 IonicContact NH1-OE1 3.61Å; R83-E87 PolarHBondContact NH1-OE1 2.88Å; R83-E87 IonicContact NH1-OE2 3.31Å; R83-E87 PolarHBondContact NH1-OE2 3.36Å; R83-E87 WeakPolarHBondContact O-CG 3.45Å; R83-E87 PolarHBondContact O-N 3.32Å
84E96.7Very high96Very high93 Ų9369.8 Ų69.844%0.43533%0.326SS..Hα-helixtrans-60.6-36.6-179.7-73.7169.5-173.400112.1R80 E87 A88R80-E84 VanDerWaalsContact CG-OE1 3.27Å; R80-E84 WeakPolarHBondContact CG-OE1 3.31Å; R80-E84 WeakPolarHBondContact O-CG 3.48Å; R80-E84 PolarHBondContact O-N 3.34Å; E84-E87 PolarHBondContact O-N 3.02Å; E84-A88 PolarHBondContact O-N 2.99Å
85K98.1Very high96.3Very high116 Ų11666.2 Ų66.250%0.50432%0.315SS..Hα-helixtrans-60-46.8171.4179.7179.4174.1-179.70112.1E81 Y82 R83 E87 A88 E89E81-K85 PolarHBondContact O-N 3.05Å; Y82-K85 HydrophobicContact CD2-CD 4.45Å; Y82-K85 HydrophobicContact CE2-CD 4.46Å; Y82-K85 PolarHBondContact O-N 3.25Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.08Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 3.31Å; K85-A88 PolarHBondContact O-N 3.03Å; K85-E89 WeakPolarHBondContact CE-OE1 3.34Å; K85-E89 WeakPolarHBondContact O-CG 3.36Å; K85-E89 PolarHBondContact O-N 2.66Å; K85-E89 VanDerWaalsContact O-N 3.07Å
86I98.1Very high96.7Very high6 Ų661.9 Ų61.93%0.03130%0.297CS..Hα-helixtrans-66.4-36.8179.2-62.9163.4000110.6R55 W59 I62 Y82 R83 E89 L90R55-I86 HydrophobicContact CB-CG2 4.33Å; R55-I86 WeakPolarHBondContact O-CG2 3.48Å; W59-I86 HydrophobicContact CB-CG2 3.75Å; I62-I86 HydrophobicContact CB-CD1 4.26Å; I62-I86 HydrophobicContact CG1-CD1 3.74Å; Y82-I86 HydrophobicContact CD1-CD1 4.07Å; Y82-I86 HydrophobicContact CE1-CD1 3.94Å; Y82-I86 WeakPolarHBondContact O-CG1 3.07Å; Y82-I86 PolarHBondContact O-N 2.94Å; Y82-I86 VanDerWaalsContact O-N 3.17Å; R83-I86 PolarHBondContact O-N 2.92Å; I86-E89 PolarHBondContact O-N 3.26Å; I86-L90 VanDerWaalsContact O-CB 3.31Å; I86-L90 WeakPolarHBondContact O-CB 3.45Å; I86-L90 PolarHBondContact O-N 3.24Å
87E97.7Very high97.1Very high24 Ų2459.4 Ų59.411%0.11229%0.286CS..Hα-helixtrans-61.5-43.6175.1-69.8172.4174.800111.7W59 R83 E84 K85 L90 Q91 V132W59-E87 VanDerWaalsContact CD1-CG 3.5Å; W59-E87 PolarHBondContact NE1-OE1 2.96Å; R83-E87 HydrophobicContact CG-CG 4.41Å; R83-E87 WeakPolarHBondContact CG-OE1 3.39Å; R83-E87 IonicContact CZ-OE1 2.94Å; R83-E87 IonicContact NE-OE1 3.91Å; R83-E87 IonicContact NH1-OE1 3.61Å; R83-E87 PolarHBondContact NH1-OE1 2.88Å; R83-E87 IonicContact NH1-OE2 3.31Å; R83-E87 PolarHBondContact NH1-OE2 3.36Å; R83-E87 WeakPolarHBondContact O-CG 3.45Å; R83-E87 PolarHBondContact O-N 3.32Å; E84-E87 PolarHBondContact O-N 3.02Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 3.31Å; E87-L90 PolarHBondContact O-N 2.99Å; E87-Q91 WeakPolarHBondContact O-CB 3.5Å; E87-Q91 VanDerWaalsContact O-CG 3.23Å; E87-Q91 WeakPolarHBondContact O-CG 3.43Å; E87-Q91 PolarHBondContact O-N 2.85Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.33Å
88A97.7Very high97.3Very high45 Ų4555.4 Ų55.437%0.37227%0.268SS..Hα-helixtrans-61.6-47174.800000111.7E84 K85 L90 Q91 D92E84-A88 PolarHBondContact O-N 2.99Å; K85-A88 PolarHBondContact O-N 3.03Å; A88-L90 VanDerWaalsContact C-N 3.32Å; A88-L90 PolarHBondContact O-N 3.4Å; A88-Q91 PolarHBondContact O-N 3.49Å; A88-D92 PolarHBondContact O-N 3.38Å
89E98.2Very high97.5Very high65 Ų6554.3 Ų54.330%0.30426%0.261SS..Hα-helixtrans-59.1-43.6175.6-69.7176.2-164.200111.8R55 K85 I86 D92 I93R55-E89 HydrophobicContact CG-CB 4.26Å; R55-E89 IonicContact NE-OE2 3.63Å; K85-E89 WeakPolarHBondContact CE-OE1 3.34Å; K85-E89 WeakPolarHBondContact O-CG 3.36Å; K85-E89 PolarHBondContact O-N 2.66Å; K85-E89 VanDerWaalsContact O-N 3.07Å; I86-E89 PolarHBondContact O-N 3.26Å; E89-D92 PolarHBondContact O-N 2.98Å; E89-I93 VanDerWaalsContact O-CD1 3.27Å; E89-I93 WeakPolarHBondContact O-CD1 3.44Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 3.37Å; E89-I93 PolarHBondContact O-N 2.69Å
90L98Very high97.8Very high0 Ų053.9 Ų53.90%026%0.256CS..Hα-helixtrans-62.7-43177.5-175.570.6000111.5V52 R55 R56 I86 E87 A88 I93 C94 V132V52-L90 HydrophobicContact CG2-CD1 3.38Å; R55-L90 HydrophobicContact CB-CB 4.46Å; R55-L90 HydrophobicContact CB-CD1 4.02Å; R56-L90 HydrophobicContact CG-CD1 3.73Å; R56-L90 HydrophobicContact CG-CD2 4.19Å; I86-L90 VanDerWaalsContact O-CB 3.31Å; I86-L90 WeakPolarHBondContact O-CB 3.45Å; I86-L90 PolarHBondContact O-N 3.24Å; E87-L90 PolarHBondContact O-N 2.99Å; A88-L90 VanDerWaalsContact C-N 3.32Å; A88-L90 PolarHBondContact O-N 3.4Å; L90-I93 PolarHBondContact O-N 3.41Å; L90-C94 WeakPolarHBondContact O-CB 3.38Å; L90-C94 PolarHBondContact O-N 2.7Å; L90-C94 PolarHBondContact O-SG 3.36Å; L90-V132 HydrophobicContact CD2-CB 4.38Å; L90-V132 HydrophobicContact CD2-CG1 3.51Å; L90-V132 HydrophobicContact CD2-CG2 3.94Å
91Q97.8Very high98Very high74 Ų7449.6 Ų49.635%0.34624%0.24SC..Hα-helixtrans-62.1-45.6176.8-75.2172.215.400111.4E87 A88 C94 N95 L129E87-Q91 WeakPolarHBondContact O-CB 3.5Å; E87-Q91 VanDerWaalsContact O-CG 3.23Å; E87-Q91 WeakPolarHBondContact O-CG 3.43Å; E87-Q91 PolarHBondContact O-N 2.85Å; A88-Q91 PolarHBondContact O-N 3.49Å; Q91-C94 PolarHBondContact O-N 2.93Å; Q91-N95 VanDerWaalsContact O-CB 3.31Å; Q91-N95 WeakPolarHBondContact O-CB 3.44Å; Q91-N95 VanDerWaalsContact O-CG 3.22Å; Q91-N95 PolarHBondContact O-N 3.29Å; Q91-N95 PolarHBondContact O-ND2 3.42Å; Q91-N95 VanDerWaalsContact O-ND2 3.13Å; Q91-L129 HydrophobicContact CB-CD2 4.21Å; Q91-L129 HydrophobicContact CG-CD2 3.81Å
92D98.2Very high98.1Very high112 Ų11247.6 Ų47.660%0.59923%0.233SC*.Hα-helixtrans-60-47.9177.9-71.3-18.7000111.3A88 E89 C94 N95 D96A88-D92 PolarHBondContact O-N 3.38Å; E89-D92 PolarHBondContact O-N 2.98Å; D92-C94 PolarHBondContact O-N 3.25Å; D92-N95 PolarHBondContact O-N 2.97Å; D92-D96 WeakPolarHBondContact O-CB 3.4Å; D92-D96 PolarHBondContact O-N 2.71Å
93I98.4Very high98.1Very high23 Ų2347.5 Ų47.512%0.11824%0.235CC..Hα-helixtrans-61.1-45.8177.7-66.1156000111.1Y48 V51 V52 R55 E89 L90 D96 V97Y48-I93 HydrophobicContact CD1-CG2 4.12Å; V51-I93 HydrophobicContact CG1-CD1 3.61Å; V51-I93 HydrophobicContact CG1-CG1 3.91Å; V51-I93 HydrophobicContact CG1-CG2 3.92Å; V52-I93 HydrophobicContact CB-CG2 4.23Å; V52-I93 HydrophobicContact CG2-CG2 4.27Å; R55-I93 HydrophobicContact CG-CD1 3.9Å; E89-I93 VanDerWaalsContact O-CD1 3.27Å; E89-I93 WeakPolarHBondContact O-CD1 3.44Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 3.37Å; E89-I93 PolarHBondContact O-N 2.69Å; L90-I93 PolarHBondContact O-N 3.41Å; I93-D96 PolarHBondContact O-N 3.31Å; I93-V97 WeakPolarHBondContact O-CG2 3.42Å; I93-V97 PolarHBondContact O-N 3.44Å
94C98.5Very high98.2Very high0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-65.1-44.8-179.9-72.70000111.6L90 Q91 D92 D96 V97 L98 Y125 L129L90-C94 WeakPolarHBondContact O-CB 3.38Å; L90-C94 PolarHBondContact O-N 2.7Å; L90-C94 PolarHBondContact O-SG 3.36Å; Q91-C94 PolarHBondContact O-N 2.93Å; D92-C94 PolarHBondContact O-N 3.25Å; C94-D96 VanDerWaalsContact C-N 3.32Å; C94-D96 PolarHBondContact O-N 2.99Å; C94-V97 PolarHBondContact O-N 2.87Å; C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 WeakPolarHBondContact O-CG 3.41Å; C94-L98 PolarHBondContact O-N 3.34Å; C94-Y125 HydrophobicContact CB-CD1 4.16Å; C94-L129 HydrophobicContact CB-CD1 3.98Å; C94-L129 HydrophobicContact CB-CD2 3.62Å; C94-L129 HydrophobicContact CB-CG 3.66Å
95N98.4Very high98.3Very high82 Ų8244.6 Ų44.644%0.43922%0.221SC..Hα-helixtrans-65.3-36.9179.8-72.9-31000111.9Q91 D92 V97 L98 E99Q91-N95 VanDerWaalsContact O-CB 3.31Å; Q91-N95 WeakPolarHBondContact O-CB 3.44Å; Q91-N95 VanDerWaalsContact O-CG 3.22Å; Q91-N95 PolarHBondContact O-N 3.29Å; Q91-N95 PolarHBondContact O-ND2 3.42Å; Q91-N95 VanDerWaalsContact O-ND2 3.13Å; D92-N95 PolarHBondContact O-N 2.97Å; N95-V97 PolarHBondContact O-N 3.08Å; N95-L98 PolarHBondContact O-N 3.4Å; N95-E99 WeakPolarHBondContact O-CB 3.21Å; N95-E99 PolarHBondContact O-N 2.85Å
96D98.2Very high98.3Very high36 Ų3640.4 Ų40.419%0.19320%0.203CC..Hα-helixtrans-57.7-48.7173.8-171.436.7000111.5K27 Y48 D92 I93 C94 E99 L100K27-D96 WeakPolarHBondContact CD-OD1 3.33Å; K27-D96 VanDerWaalsContact CE-OD1 3.28Å; K27-D96 WeakPolarHBondContact CE-OD1 3.46Å; K27-D96 IonicContact NZ-OD1 2.68Å; K27-D96 PolarHBondContact NZ-OD1 3.16Å; K27-D96 IonicContact NZ-OD2 3.69Å; Y48-D96 PolarHBondContact OH-OD2 2.95Å; D92-D96 WeakPolarHBondContact O-CB 3.4Å; D92-D96 PolarHBondContact O-N 2.71Å; I93-D96 PolarHBondContact O-N 3.31Å; C94-D96 VanDerWaalsContact C-N 3.32Å; C94-D96 PolarHBondContact O-N 2.99Å; D96-E99 PolarHBondContact O-N 3.35Å; D96-L100 WeakPolarHBondContact O-CG 3.31Å; D96-L100 PolarHBondContact O-N 2.96Å; D96-L100 VanDerWaalsContact O-N 3.12Å
97V98.4Very high98.2Very high3 Ų345.3 Ų45.32%0.01823%0.234CC..Hα-helixtrans-64.9-43.8176.7176.40000112.2Y48 I93 C94 N95 E99 L100 L101 M121 Y125Y48-V97 HydrophobicContact CD1-CG2 3.03Å; Y48-V97 HydrophobicContact CD2-CG2 3.76Å; Y48-V97 HydrophobicContact CE1-CG2 3.3Å; Y48-V97 HydrophobicContact CE2-CG2 4.02Å; Y48-V97 HydrophobicContact CG-CG2 3.25Å; I93-V97 WeakPolarHBondContact O-CG2 3.42Å; I93-V97 PolarHBondContact O-N 3.44Å; C94-V97 PolarHBondContact O-N 2.87Å; N95-V97 PolarHBondContact O-N 3.08Å; V97-E99 VanDerWaalsContact C-N 3.27Å; V97-E99 PolarHBondContact O-N 3.31Å; V97-L100 PolarHBondContact O-N 3.14Å; V97-L101 HydrophobicContact CG1-CD1 3.71Å; V97-L101 HydrophobicContact CG1-CG 4.13Å; V97-L101 WeakPolarHBondContact O-CB 3.14Å; V97-L101 VanDerWaalsContact O-CG 3.27Å; V97-L101 WeakPolarHBondContact O-CG 3.3Å; V97-L101 PolarHBondContact O-N 3.47Å; V97-M121 HydrophobicContact CG1-CE 3.64Å; V97-Y125 HydrophobicContact CB-CD1 4.12Å; V97-Y125 HydrophobicContact CB-CD2 4.29Å; V97-Y125 HydrophobicContact CB-CE1 4.16Å; V97-Y125 HydrophobicContact CB-CE2 4.39Å; V97-Y125 HydrophobicContact CB-CG 4.21Å; V97-Y125 HydrophobicContact CG1-CD1 4.27Å; V97-Y125 HydrophobicContact CG1-CD2 3.56Å; V97-Y125 HydrophobicContact CG1-CE1 4.27Å; V97-Y125 HydrophobicContact CG1-CE2 3.62Å; V97-Y125 HydrophobicContact CG1-CG 3.96Å; V97-Y125 HydrophobicContact CG2-CD1 4.28Å; V97-Y125 HydrophobicContact CG2-CE1 3.84Å; V97-Y125 HydrophobicContact CG2-CE2 4.47Å
98L98.8Very high98.1Very high6 Ų647 Ų473%0.03124%0.243CC..Hα-helixtrans-61.7-38.7179.9-71.4169.3000111.3C94 N95 L101 D102 K122 Y126 L129C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 WeakPolarHBondContact O-CG 3.41Å; C94-L98 PolarHBondContact O-N 3.34Å; N95-L98 PolarHBondContact O-N 3.4Å; L98-L101 HydrophobicContact CD2-CD1 4.43Å; L98-L101 PolarHBondContact O-N 3.12Å; L98-D102 WeakPolarHBondContact O-CB 3.47Å; L98-D102 PolarHBondContact O-N 2.89Å; L98-K122 HydrophobicContact CD2-CB 4.49Å; L98-K122 HydrophobicContact CD2-CG 3.8Å; L98-Y126 HydrophobicContact CD1-CD1 3.96Å; L98-Y126 HydrophobicContact CD1-CD2 4.49Å; L98-Y126 HydrophobicContact CD1-CE1 3.63Å; L98-Y126 HydrophobicContact CD1-CE2 4.21Å; L98-Y126 HydrophobicContact CD1-CG 4.37Å; L98-Y126 HydrophobicContact CD2-CD2 3.77Å; L98-Y126 HydrophobicContact CD2-CE1 4.47Å; L98-Y126 HydrophobicContact CD2-CE2 3.54Å; L98-Y126 HydrophobicContact CD2-CG 4.32Å; L98-Y126 HydrophobicContact CG-CE2 4.49Å; L98-L129 HydrophobicContact CD1-CD1 3.65Å
99E98.6Very high98.1Very high88 Ų8845.7 Ų45.741%0.41123%0.232SC..Hα-helixtrans-63-44.2173.6-176.9173.1-170.600111.7N95 D96 V97 L101 D102 K103N95-E99 WeakPolarHBondContact O-CB 3.21Å; N95-E99 PolarHBondContact O-N 2.85Å; D96-E99 PolarHBondContact O-N 3.35Å; V97-E99 VanDerWaalsContact C-N 3.27Å; V97-E99 PolarHBondContact O-N 3.31Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 2.86Å; E99-D102 PolarHBondContact O-N 3.37Å; E99-K103 HydrophobicContact CG-CD 3.72Å; E99-K103 HydrophobicContact CG-CG 4.29Å; E99-K103 VanDerWaalsContact O-CB 3.29Å; E99-K103 WeakPolarHBondContact O-CB 3.48Å; E99-K103 WeakPolarHBondContact O-CG 3.42Å; E99-K103 PolarHBondContact O-N 2.89Å; E99-K103 WeakPolarHBondContact OE1-CE 3.35Å; E99-K103 IonicContact OE1-NZ 3.44Å; E99-K103 PolarHBondContact OE1-NZ 3.5Å
100L98.7Very high98Very high3 Ų347.4 Ų47.42%0.01625%0.248CC..Hα-helixtrans-61.8-43.1175.5-66.9177.4000112.3K27 T30 E31 L44 Y48 D96 V97 Y104 L105K27-L100 HydrophobicContact CB-CD1 4.05Å; K27-L100 HydrophobicContact CD-CD1 4.43Å; K27-L100 HydrophobicContact CG-CD1 4Å; K27-L100 HydrophobicContact CG-CD2 4.12Å; T30-L100 HydrophobicContact CG2-CB 4.17Å; T30-L100 HydrophobicContact CG2-CD2 4.01Å; E31-L100 HydrophobicContact CG-CD2 3.75Å; L44-L100 HydrophobicContact CD1-CD1 4.48Å; Y48-L100 HydrophobicContact CE2-CD1 4.03Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.42Å; D96-L100 WeakPolarHBondContact O-CG 3.31Å; D96-L100 PolarHBondContact O-N 2.96Å; D96-L100 VanDerWaalsContact O-N 3.12Å; V97-L100 PolarHBondContact O-N 3.14Å; L100-Y104 HydrophobicContact CD2-CD2 4.03Å; L100-Y104 HydrophobicContact CD2-CE2 4.25Å; L100-Y104 WeakPolarHBondContact O-CB 3.5Å; L100-Y104 PolarHBondContact O-N 3.28Å; L100-L105 HydrophobicContact CB-CD1 4.42Å; L100-L105 PolarHBondContact O-N 2.8Å; L100-L105 VanDerWaalsContact O-N 3.11Å
101L98.7Very high97.9Very high0 Ų053.2 Ų53.20%028%0.275CS..Iπ-helixtrans-60.2-48.8178.1-72.9167000111.3V97 L98 E99 L105 I106 Y118 M121 K122V97-L101 HydrophobicContact CG1-CD1 3.71Å; V97-L101 HydrophobicContact CG1-CG 4.13Å; V97-L101 WeakPolarHBondContact O-CB 3.14Å; V97-L101 VanDerWaalsContact O-CG 3.27Å; V97-L101 WeakPolarHBondContact O-CG 3.3Å; V97-L101 PolarHBondContact O-N 3.47Å; L98-L101 HydrophobicContact CD2-CD1 4.43Å; L98-L101 PolarHBondContact O-N 3.12Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 2.86Å; L101-L105 HydrophobicContact CD2-CB 4.39Å; L101-L105 HydrophobicContact CD2-CD1 3.81Å; L101-L105 HydrophobicContact CG-CD1 4.32Å; L101-L105 PolarHBondContact O-N 2.79Å; L101-I106 HydrophobicContact CB-CD1 4.12Å; L101-I106 WeakPolarHBondContact O-CB 3.44Å; L101-I106 WeakPolarHBondContact O-CG1 3.37Å; L101-I106 PolarHBondContact O-N 2.88Å; L101-Y118 HydrophobicContact CD2-CD1 3.89Å; L101-Y118 HydrophobicContact CD2-CG 4.17Å; L101-M121 HydrophobicContact CD1-CB 4.36Å; L101-M121 HydrophobicContact CD1-CG 4.21Å; L101-M121 HydrophobicContact CD2-CB 4.28Å; L101-M121 HydrophobicContact CD2-CG 4.4Å; L101-M121 HydrophobicContact CD2-SD 4.28Å; L101-K122 HydrophobicContact CD1-CB 3.96Å
102D98.4Very high97.8Very high62 Ų6251.7 Ų51.733%0.33227%0.271SS..Iπ-helixtrans-77.6-36.6-174-75.4-12.6000113.3L98 E99 V107 K122L98-D102 WeakPolarHBondContact O-CB 3.47Å; L98-D102 PolarHBondContact O-N 2.89Å; E99-D102 PolarHBondContact O-N 3.37Å; D102-V107 VanDerWaalsContact O-CG2 3.23Å; D102-V107 WeakPolarHBondContact O-CG2 3.42Å; D102-K122 WeakPolarHBondContact OD1-CE 3.43Å; D102-K122 IonicContact OD1-NZ 3.14Å; D102-K122 PolarHBondContact OD1-NZ 2.61Å; D102-K122 IonicContact OD2-NZ 3.24Å; D102-K122 PolarHBondContact OD2-NZ 3.5Å
103K98.2Very high97.8Very high122 Ų12249 Ų4953%0.5326%0.255SS..Iπ-helixtrans-86.8-30.9-176.2-67.4-173.6179.3178.10114E99E99-K103 HydrophobicContact CG-CD 3.72Å; E99-K103 HydrophobicContact CG-CG 4.29Å; E99-K103 VanDerWaalsContact O-CB 3.29Å; E99-K103 WeakPolarHBondContact O-CB 3.48Å; E99-K103 WeakPolarHBondContact O-CG 3.42Å; E99-K103 PolarHBondContact O-N 2.89Å; E99-K103 WeakPolarHBondContact OE1-CE 3.35Å; E99-K103 IonicContact OE1-NZ 3.44Å; E99-K103 PolarHBondContact OE1-NZ 3.5Å
104Y98.4Very high97.8Very high64 Ų6448.2 Ų48.225%0.25125%0.251SS..Iπ-helixtrans-126.4-38.5-168.4-57.3-84.4000113.9T30 E31 L100 N108T30-Y104 HydrophobicContact CG2-CG 4.34Å; E31-Y104 HydrophobicContact CG-CE2 4.02Å; L100-Y104 HydrophobicContact CD2-CD2 4.03Å; L100-Y104 HydrophobicContact CD2-CE2 4.25Å; L100-Y104 WeakPolarHBondContact O-CB 3.5Å; L100-Y104 PolarHBondContact O-N 3.28Å; Y104-N108 VanDerWaalsContact O-CB 3.25Å; Y104-N108 WeakPolarHBondContact O-CB 3.49Å; Y104-N108 PolarHBondContact O-ND2 3.24Å
105L98.6Very high97.7Very high5 Ų551.4 Ų51.43%0.02627%0.265CS..Iπ-helixtrans-92.3-54-167.6-59.7167.1000112.9T30 L36 L44 L100 L101 V107 N108 A109 Y118T30-L105 HydrophobicContact CG2-CD1 4.09Å; T30-L105 HydrophobicContact CG2-CD2 3.6Å; T30-L105 HydrophobicContact CG2-CG 3.72Å; L36-L105 HydrophobicContact CD1-CD2 3.57Å; L36-L105 HydrophobicContact CG-CD2 3.81Å; L44-L105 HydrophobicContact CD2-CD1 3.45Å; L44-L105 VanDerWaalsContact CD2-CD1 3.45Å; L44-L105 HydrophobicContact CD2-CD2 4.41Å; L100-L105 HydrophobicContact CB-CD1 4.42Å; L100-L105 PolarHBondContact O-N 2.8Å; L100-L105 VanDerWaalsContact O-N 3.11Å; L101-L105 HydrophobicContact CD2-CB 4.39Å; L101-L105 HydrophobicContact CD2-CD1 3.81Å; L101-L105 HydrophobicContact CG-CD1 4.32Å; L101-L105 PolarHBondContact O-N 2.79Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 2.85Å; L105-N108 PolarHBondContact O-N 2.82Å; L105-A109 WeakPolarHBondContact O-CB 3.24Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-Y118 HydrophobicContact CB-CD1 3.86Å; L105-Y118 HydrophobicContact CB-CD2 3.83Å; L105-Y118 HydrophobicContact CB-CE1 3.92Å; L105-Y118 HydrophobicContact CB-CE2 3.9Å; L105-Y118 HydrophobicContact CB-CG 3.84Å; L105-Y118 HydrophobicContact CD1-CD1 4.07Å; L105-Y118 HydrophobicContact CD1-CE1 3.98Å; L105-Y118 HydrophobicContact CD2-CE1 3.95Å; L105-Y118 HydrophobicContact CD2-CE2 4.47Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.17Å
106I98.3Very high97.8Very high28 Ų2847.5 Ų47.514%0.14424%0.244CC..Hα-helixtrans-66.1-39.5-177.7-65.7170.1000110.5L101 L119 K122L101-I106 HydrophobicContact CB-CD1 4.12Å; L101-I106 WeakPolarHBondContact O-CB 3.44Å; L101-I106 WeakPolarHBondContact O-CG1 3.37Å; L101-I106 PolarHBondContact O-N 2.88Å; I106-L119 HydrophobicContact CD1-CD2 4.05Å; I106-K122 HydrophobicContact CD1-CB 4.47Å; I106-K122 HydrophobicContact CD1-CD 3.84Å
107V96.6Very high97.8Very high110 Ų11047 Ų4767%0.66724%0.241SC*.Hα-helixtrans-69.7-32.6-178.7179.20000112.1D102 L105D102-V107 VanDerWaalsContact O-CG2 3.23Å; D102-V107 WeakPolarHBondContact O-CG2 3.42Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 2.85Å
108N95.5Very high97.8Very high58 Ų5847 Ų4731%0.3124%0.24SC..Hα-helixtrans-96.6-1.8-179.9-64.9-43.7000113.7G33 E35 Y104 L105 T110G33-N108 PolarHBondContact O-ND2 2.8Å; E35-N108 VanDerWaalsContact CD-O 3.31Å; Y104-N108 VanDerWaalsContact O-CB 3.25Å; Y104-N108 WeakPolarHBondContact O-CB 3.49Å; Y104-N108 PolarHBondContact O-ND2 3.24Å; L105-N108 PolarHBondContact O-N 2.82Å; N108-T110 PolarHBondContact O-N 3.36Å; N108-T110 VanDerWaalsContact O-N 3.17Å
109A97Very high97.8Very high18 Ų1846.8 Ų46.815%0.14924%0.24CC..  trans-69.7110.917900000110.6E35 L105 K115 Y118E35-A109 WeakPolarHBondContact OE1-CA 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.24Å; L105-A109 PolarHBondContact O-N 3.49Å; A109-K115 HydrophobicContact CB-CB 4.12Å; A109-Y118 HydrophobicContact CB-CD2 3.97Å; A109-Y118 HydrophobicContact CB-CE2 4.09Å
110T96Very high97.8Very high102 Ų10244.3 Ų44.363%0.62623%0.227SC*.  trans-88.7-29.7179.859.80000112.1E35 N108E35-T110 VanDerWaalsContact CD-OG1 3.31Å; E35-T110 PolarHBondContact OE1-N 3.48Å; E35-T110 PolarHBondContact OE1-OG1 3.46Å; E35-T110 VanDerWaalsContact OE2-CG2 3.31Å; E35-T110 WeakPolarHBondContact OE2-CG2 3.38Å; E35-T110 PolarHBondContact OE2-OG1 3.26Å; N108-T110 PolarHBondContact O-N 3.36Å; N108-T110 VanDerWaalsContact O-N 3.17Å
111Q96.2Very high97.8Very high121 Ų12144.5 Ų44.557%0.56523%0.228SC*.SBendtrans-94.5140.4-178.9-59.1-6618.500112.6E113 S114 K115Q111-E113 PolarHBondContact O-N 3.47Å; Q111-S114 PolarHBondContact O-N 2.99Å; Q111-S114 VanDerWaalsContact O-N 3.16Å; Q111-K115 PolarHBondContact O-N 2.94Å
112P96.9Very high97.8Very high42 Ų4246.5 Ų46.527%0.27324%0.237SC..Hα-helixtrans-53.4-39.7175.1-2734.5000112.9K115 V116 I155 E159P112-K115 PolarHBondContact O-N 3.2Å; P112-V116 VanDerWaalsContact O-CG2 3.32Å; P112-V116 WeakPolarHBondContact O-CG2 3.35Å; P112-V116 PolarHBondContact O-N 3.33Å; P112-I155 HydrophobicContact CB-CG2 4.22Å; P112-E159 HydrophobicContact CB-CB 3.67Å; P112-E159 HydrophobicContact CB-CG 3.94Å; P112-E159 HydrophobicContact CG-CB 4.12Å; P112-E159 HydrophobicContact CG-CG 4.11Å
113E96.8Very high97.8Very high57 Ų5743.5 Ų43.527%0.26622%0.221SC..Hα-helixtrans-58.9-50.2178.2-169.3-160.3130.600112.1R41 Q111 K115 V116 F117 M160 I166R41-E113 IonicContact CZ-OE1 3.41Å; R41-E113 IonicContact NH1-OE1 3.18Å; R41-E113 PolarHBondContact NH1-OE1 3.43Å; R41-E113 IonicContact NH2-OE1 3.13Å; R41-E113 PolarHBondContact NH2-OE1 2.8Å; Q111-E113 PolarHBondContact O-N 3.47Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 2.95Å; E113-V116 PolarHBondContact O-N 2.82Å; E113-F117 WeakPolarHBondContact O-CB 3.47Å; E113-F117 PolarHBondContact O-N 3.42Å; E113-M160 HydrophobicContact CG-CE 4.32Å; E113-I166 HydrophobicContact CG-CD1 3.4Å; E113-I166 VanDerWaalsContact CG-CD1 3.4Å; E113-I166 VanDerWaalsContact OE1-CD1 3.26Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.27Å
114S97.9Very high97.9Very high5 Ų538.1 Ų38.14%0.03520%0.198CC..Hα-helixtrans-61.7-42.1177.2-670000111.2Q111 F117 Y118Q111-S114 PolarHBondContact O-N 2.99Å; Q111-S114 VanDerWaalsContact O-N 3.16Å; S114-F117 WeakPolarHBondContact O-CB 3.45Å; S114-F117 PolarHBondContact O-N 2.85Å; S114-Y118 WeakPolarHBondContact O-CD2 3.41Å; S114-Y118 VanDerWaalsContact O-CG 3.31Å; S114-Y118 PolarHBondContact O-N 2.99Å
115K98.3Very high97.9Very high67 Ų6735.4 Ų35.429%0.29119%0.187SC..Hα-helixtrans-63-45.6178.4-171.7167.7178.1-176.20112A109 Q111 P112 E113 F117 Y118 L119 E151 I155A109-K115 HydrophobicContact CB-CB 4.12Å; Q111-K115 PolarHBondContact O-N 2.94Å; P112-K115 PolarHBondContact O-N 3.2Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 2.95Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-Y118 PolarHBondContact O-N 3.4Å; K115-L119 HydrophobicContact CG-CD1 3.86Å; K115-L119 HydrophobicContact CG-CG 4.47Å; K115-L119 WeakPolarHBondContact O-CB 3.39Å; K115-L119 WeakPolarHBondContact O-CG 3.32Å; K115-L119 PolarHBondContact O-N 3.37Å; K115-E151 WeakPolarHBondContact CE-OE1 3.24Å; K115-E151 IonicContact NZ-OE1 3.86Å; K115-E151 PolarHBondContact NZ-OE1 2.92Å; K115-I155 HydrophobicContact CD-CD1 3.79Å; K115-I155 HydrophobicContact CG-CD1 3.99Å
116V98.7Very high97.9Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-63.3-41.9175.4174.50000110.9P112 E113 Y118 L119 K120 A152 I155 M160 I166 L170P112-V116 VanDerWaalsContact O-CG2 3.32Å; P112-V116 WeakPolarHBondContact O-CG2 3.35Å; P112-V116 PolarHBondContact O-N 3.33Å; E113-V116 PolarHBondContact O-N 2.82Å; V116-Y118 PolarHBondContact O-N 3.3Å; V116-L119 PolarHBondContact O-N 3.14Å; V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 PolarHBondContact O-N 3.11Å; V116-A152 HydrophobicContact CG1-CB 4.36Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; V116-M160 HydrophobicContact CB-SD 3.98Å; V116-M160 HydrophobicContact CG1-SD 3.96Å; V116-M160 HydrophobicContact CG2-SD 3.82Å; V116-I166 HydrophobicContact CB-CG2 4.3Å; V116-I166 HydrophobicContact CG1-CG2 3.73Å; V116-L170 HydrophobicContact CG1-CD2 4.05Å
117F98.5Very high97.9Very high27 Ų2736.1 Ų36.112%0.11819%0.188CC..Hα-helixtrans-57.5-49.8177-172.3-79.2000111.7R41 E113 S114 K115 M121 I166R41-F117 VanDerWaalsContact CD-CD1 3.47Å; R41-F117 HydrophobicContact CG-CD1 3.57Å; R41-F117 HydrophobicContact CG-CE1 3.42Å; R41-F117 VanDerWaalsContact CG-CE1 3.42Å; R41-F117 HydrophobicContact CG-CE2 4.42Å; R41-F117 HydrophobicContact CG-CG 4.16Å; R41-F117 HydrophobicContact CG-CZ 3.88Å; E113-F117 WeakPolarHBondContact O-CB 3.47Å; E113-F117 PolarHBondContact O-N 3.42Å; S114-F117 WeakPolarHBondContact O-CB 3.45Å; S114-F117 PolarHBondContact O-N 2.85Å; K115-F117 VanDerWaalsContact C-N 3.35Å; F117-M121 HydrophobicContact CE1-SD 4.3Å; F117-M121 WeakPolarHBondContact O-CB 3.44Å; F117-M121 PolarHBondContact O-N 3.41Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CD2-CD1 3.8Å; F117-I166 HydrophobicContact CD2-CG1 4.09Å
118Y98.8Very high98Very high1 Ų132 Ų320%0.00416%0.161CC..Hα-helixtrans-70.9-39.2-178.8-61.6-45.7000113R41 L101 L105 A109 S114 K115 V116 M121 K122R41-Y118 HydrophobicContact CG-CE1 3.68Å; L101-Y118 HydrophobicContact CD2-CD1 3.89Å; L101-Y118 HydrophobicContact CD2-CG 4.17Å; L105-Y118 HydrophobicContact CB-CD1 3.86Å; L105-Y118 HydrophobicContact CB-CD2 3.83Å; L105-Y118 HydrophobicContact CB-CE1 3.92Å; L105-Y118 HydrophobicContact CB-CE2 3.9Å; L105-Y118 HydrophobicContact CB-CG 3.84Å; L105-Y118 HydrophobicContact CD1-CD1 4.07Å; L105-Y118 HydrophobicContact CD1-CE1 3.98Å; L105-Y118 HydrophobicContact CD2-CE1 3.95Å; L105-Y118 HydrophobicContact CD2-CE2 4.47Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.17Å; A109-Y118 HydrophobicContact CB-CD2 3.97Å; A109-Y118 HydrophobicContact CB-CE2 4.09Å; S114-Y118 WeakPolarHBondContact O-CD2 3.41Å; S114-Y118 VanDerWaalsContact O-CG 3.31Å; S114-Y118 PolarHBondContact O-N 2.99Å; K115-Y118 PolarHBondContact O-N 3.4Å; V116-Y118 PolarHBondContact O-N 3.3Å; Y118-M121 WeakPolarHBondContact O-CB 3.4Å; Y118-M121 PolarHBondContact O-N 3.04Å; Y118-K122 WeakPolarHBondContact O-CB 3.18Å; Y118-K122 PolarHBondContact O-N 3.46Å
119L98.9Very high98.1Very high3 Ų329.7 Ų29.72%0.01615%0.148CC..Hα-helixtrans-66.5-40.5175.7-73.8167.8000112I106 K115 V116 M121 K122 G123 E151 A152 I155I106-L119 HydrophobicContact CD1-CD2 4.05Å; K115-L119 HydrophobicContact CG-CD1 3.86Å; K115-L119 HydrophobicContact CG-CG 4.47Å; K115-L119 WeakPolarHBondContact O-CB 3.39Å; K115-L119 WeakPolarHBondContact O-CG 3.32Å; K115-L119 PolarHBondContact O-N 3.37Å; V116-L119 PolarHBondContact O-N 3.14Å; L119-M121 VanDerWaalsContact C-N 3.31Å; L119-M121 PolarHBondContact O-N 3.24Å; L119-K122 WeakPolarHBondContact O-CB 3.38Å; L119-K122 PolarHBondContact O-N 3.14Å; L119-G123 PolarHBondContact O-N 3.4Å; L119-E151 HydrophobicContact CD1-CB 4.09Å; L119-E151 HydrophobicContact CD1-CG 3.7Å; L119-E151 HydrophobicContact CD2-CB 4.43Å; L119-E151 HydrophobicContact CD2-CG 4.43Å; L119-A152 HydrophobicContact CB-CB 3.66Å; L119-I155 HydrophobicContact CD1-CD1 3.75Å
120K98.7Very high98.1Very high36 Ų3628.9 Ų28.916%0.15714%0.141CC..Hα-helixtrans-57-48.3170.7178.1-166.7168.4-66.10110.5V116 K122 G123 D124 Y149 G169 L170 N173V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 PolarHBondContact O-N 3.11Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 2.75Å; K120-G123 PolarHBondContact O-N 2.99Å; K120-D124 IonicContact NZ-OD2 2.69Å; K120-D124 PolarHBondContact NZ-OD2 2.96Å; K120-D124 PolarHBondContact O-N 3.48Å; K120-Y149 HydrophobicContact CG-CE1 4.49Å; K120-G169 WeakPolarHBondContact CE-O 3.45Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.12Å; K120-L170 HydrophobicContact CG-CB 4.3Å; K120-L170 HydrophobicContact CG-CD1 3.99Å; K120-N173 PolarHBondContact NZ-ND2 3.18Å
121M98.7Very high98.1Very high7 Ų726.1 Ų26.13%0.03412%0.121CC..Hα-helixtrans-59.2-45.2177.4-167.6169.5169.500110.9V97 L101 F117 Y118 L119 G123 D124 Y125V97-M121 HydrophobicContact CG1-CE 3.64Å; L101-M121 HydrophobicContact CD1-CB 4.36Å; L101-M121 HydrophobicContact CD1-CG 4.21Å; L101-M121 HydrophobicContact CD2-CB 4.28Å; L101-M121 HydrophobicContact CD2-CG 4.4Å; L101-M121 HydrophobicContact CD2-SD 4.28Å; F117-M121 HydrophobicContact CE1-SD 4.3Å; F117-M121 WeakPolarHBondContact O-CB 3.44Å; F117-M121 PolarHBondContact O-N 3.41Å; Y118-M121 WeakPolarHBondContact O-CB 3.4Å; Y118-M121 PolarHBondContact O-N 3.04Å; L119-M121 VanDerWaalsContact C-N 3.31Å; L119-M121 PolarHBondContact O-N 3.24Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 2.79Å; M121-D124 WeakPolarHBondContact O-CA 3.48Å; M121-D124 WeakPolarHBondContact O-CB 3.07Å; M121-D124 PolarHBondContact O-N 2.91Å; M121-D124 VanDerWaalsContact O-N 3.08Å; M121-Y125 HydrophobicContact CE-CD2 4.49Å; M121-Y125 HydrophobicContact CE-CE2 3.64Å; M121-Y125 HydrophobicContact CG-CD2 3.79Å; M121-Y125 HydrophobicContact CG-CE2 3.54Å; M121-Y125 WeakPolarHBondContact O-CD2 3.49Å; M121-Y125 PolarHBondContact O-N 3.32Å; M121-Y125 HydrophobicContact SD-CE2 4.43Å
122K98.9Very high98.1Very high41 Ų4121 Ų2118%0.17810%0.099CC..Hα-helixtrans-55.8-45.9174.1-173.2172.7-177.41690111.9L98 L101 D102 I106 Y118 L119 K120 D124 Y125 Y126 A148L98-K122 HydrophobicContact CD2-CB 4.49Å; L98-K122 HydrophobicContact CD2-CG 3.8Å; L101-K122 HydrophobicContact CD1-CB 3.96Å; D102-K122 WeakPolarHBondContact OD1-CE 3.43Å; D102-K122 IonicContact OD1-NZ 3.14Å; D102-K122 PolarHBondContact OD1-NZ 2.61Å; D102-K122 IonicContact OD2-NZ 3.24Å; D102-K122 PolarHBondContact OD2-NZ 3.5Å; I106-K122 HydrophobicContact CD1-CB 4.47Å; I106-K122 HydrophobicContact CD1-CD 3.84Å; Y118-K122 WeakPolarHBondContact O-CB 3.18Å; Y118-K122 PolarHBondContact O-N 3.46Å; L119-K122 WeakPolarHBondContact O-CB 3.38Å; L119-K122 PolarHBondContact O-N 3.14Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 2.75Å; K122-D124 VanDerWaalsContact C-N 3.34Å; K122-D124 PolarHBondContact O-N 3.13Å; K122-Y125 PolarHBondContact O-N 3.42Å; K122-Y126 HydrophobicContact CD-CE2 4.34Å; K122-Y126 HydrophobicContact CG-CD2 3.92Å; K122-Y126 HydrophobicContact CG-CE2 3.79Å; K122-Y126 WeakPolarHBondContact O-CD2 3.36Å; K122-Y126 PolarHBondContact O-N 3.02Å; K122-A148 HydrophobicContact CB-CB 4.02Å; K122-A148 HydrophobicContact CD-CB 4.21Å; K122-A148 HydrophobicContact CG-CB 3.93Å
123G98.8Very high97.9Very high0 Ų019.9 Ų19.90%09%0.092CC..Hα-helixtrans-58.3-43.2174.200000112.8L119 K120 M121 R127 S145 Y149L119-G123 PolarHBondContact O-N 3.4Å; K120-G123 PolarHBondContact O-N 2.99Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 2.79Å; G123-R127 VanDerWaalsContact O-CB 3.3Å; G123-R127 WeakPolarHBondContact O-CB 3.47Å; G123-R127 PolarHBondContact O-N 3.22Å; G123-S145 PolarHBondContact O-OG 3.13Å; G123-Y149 WeakPolarHBondContact O-CE2 3.49Å; G123-Y149 PolarHBondContact O-OH 2.92Å
124D98.8Very high97.5Very high8 Ų821.5 Ų21.54%0.04311%0.11CC..Hα-helixtrans-61.9-47.7176.7-79.7-51.2000112.4K120 M121 K122 R127 Y128 Y149 N173K120-D124 IonicContact NZ-OD2 2.69Å; K120-D124 PolarHBondContact NZ-OD2 2.96Å; K120-D124 PolarHBondContact O-N 3.48Å; M121-D124 WeakPolarHBondContact O-CA 3.48Å; M121-D124 WeakPolarHBondContact O-CB 3.07Å; M121-D124 PolarHBondContact O-N 2.91Å; M121-D124 VanDerWaalsContact O-N 3.08Å; K122-D124 VanDerWaalsContact C-N 3.34Å; K122-D124 PolarHBondContact O-N 3.13Å; D124-R127 WeakPolarHBondContact O-CB 3.4Å; D124-R127 PolarHBondContact O-N 3.34Å; D124-R127 IonicContact OD1-CZ 2.76Å; D124-R127 IonicContact OD1-NE 3.6Å; D124-R127 IonicContact OD1-NH2 2.93Å; D124-R127 PolarHBondContact OD1-NH2 3.14Å; D124-R127 VanDerWaalsContact OD1-NH2 3.08Å; D124-Y128 HydrophobicContact CB-CE2 4.15Å; D124-Y128 WeakPolarHBondContact O-CD1 3.44Å; D124-Y128 VanDerWaalsContact O-CD2 3.23Å; D124-Y128 WeakPolarHBondContact O-CD2 3.33Å; D124-Y128 PolarHBondContact O-N 3.04Å; D124-Y149 VanDerWaalsContact CA-OH 3.3Å; D124-Y149 WeakPolarHBondContact CA-OH 3.43Å; D124-Y149 PolarHBondContact N-OH 3.07Å; D124-Y149 PolarHBondContact OD1-OH 3.25Å; D124-N173 WeakPolarHBondContact OD1-CB 2.9Å; D124-N173 PolarHBondContact OD1-ND2 3.02Å; D124-N173 PolarHBondContact OD2-ND2 3.46Å
125Y98.7Very high97Very high7 Ų723.9 Ų23.93%0.02714%0.136CC..Hα-helixtrans-69.3-38-178.8-77.9-83.1000112.7Y48 K49 V52 C94 V97 M121 K122 R127 Y128 L129Y48-Y125 WeakPolarHBondContact CB-OH 3.25Å; Y48-Y125 PolarHBondContact O-OH 3.33Å; Y48-Y125 VanDerWaalsContact O-OH 3.14Å; K49-Y125 PolarHBondContact N-OH 3.39Å; V52-Y125 HydrophobicContact CB-CE1 4.04Å; V52-Y125 HydrophobicContact CG1-CE1 4.04Å; V52-Y125 HydrophobicContact CG2-CD1 4.4Å; V52-Y125 HydrophobicContact CG2-CE1 4.01Å; C94-Y125 HydrophobicContact CB-CD1 4.16Å; V97-Y125 HydrophobicContact CB-CD1 4.12Å; V97-Y125 HydrophobicContact CB-CD2 4.29Å; V97-Y125 HydrophobicContact CB-CE1 4.16Å; V97-Y125 HydrophobicContact CB-CE2 4.39Å; V97-Y125 HydrophobicContact CB-CG 4.21Å; V97-Y125 HydrophobicContact CG1-CD1 4.27Å; V97-Y125 HydrophobicContact CG1-CD2 3.56Å; V97-Y125 HydrophobicContact CG1-CE1 4.27Å; V97-Y125 HydrophobicContact CG1-CE2 3.62Å; V97-Y125 HydrophobicContact CG1-CG 3.96Å; V97-Y125 HydrophobicContact CG2-CD1 4.28Å; V97-Y125 HydrophobicContact CG2-CE1 3.84Å; V97-Y125 HydrophobicContact CG2-CE2 4.47Å; M121-Y125 HydrophobicContact CE-CD2 4.49Å; M121-Y125 HydrophobicContact CE-CE2 3.64Å; M121-Y125 HydrophobicContact CG-CD2 3.79Å; M121-Y125 HydrophobicContact CG-CE2 3.54Å; M121-Y125 WeakPolarHBondContact O-CD2 3.49Å; M121-Y125 PolarHBondContact O-N 3.32Å; M121-Y125 HydrophobicContact SD-CE2 4.43Å; K122-Y125 PolarHBondContact O-N 3.42Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-Y128 HydrophobicContact CD1-CD2 4.09Å; Y125-Y128 HydrophobicContact CE1-CD2 4.38Å; Y125-Y128 HydrophobicContact CG-CD2 4.44Å; Y125-Y128 PolarHBondContact O-N 3.16Å; Y125-L129 WeakPolarHBondContact O-CG 3.21Å; Y125-L129 PolarHBondContact O-N 3.38Å
126Y98.8Very high96.4Very high34 Ų3426.5 Ų26.513%0.13315%0.153CC..Hα-helixtrans-65.5-36.2169.8-80.2-60.8000112.7L98 K122 Y128 L129 S130 T141 N144L98-Y126 HydrophobicContact CD1-CD1 3.96Å; L98-Y126 HydrophobicContact CD1-CD2 4.49Å; L98-Y126 HydrophobicContact CD1-CE1 3.63Å; L98-Y126 HydrophobicContact CD1-CE2 4.21Å; L98-Y126 HydrophobicContact CD1-CG 4.37Å; L98-Y126 HydrophobicContact CD2-CD2 3.77Å; L98-Y126 HydrophobicContact CD2-CE1 4.47Å; L98-Y126 HydrophobicContact CD2-CE2 3.54Å; L98-Y126 HydrophobicContact CD2-CG 4.32Å; L98-Y126 HydrophobicContact CG-CE2 4.49Å; K122-Y126 HydrophobicContact CD-CE2 4.34Å; K122-Y126 HydrophobicContact CG-CD2 3.92Å; K122-Y126 HydrophobicContact CG-CE2 3.79Å; K122-Y126 WeakPolarHBondContact O-CD2 3.36Å; K122-Y126 PolarHBondContact O-N 3.02Å; Y126-Y128 VanDerWaalsContact C-N 3.33Å; Y126-Y128 PolarHBondContact O-N 3.03Å; Y126-L129 HydrophobicContact CD1-CD1 3.97Å; Y126-L129 HydrophobicContact CE1-CD1 4.34Å; Y126-L129 WeakPolarHBondContact O-CB 3.31Å; Y126-L129 PolarHBondContact O-N 3.14Å; Y126-S130 PolarHBondContact O-N 3.4Å; Y126-S130 PolarHBondContact O-OG 3.24Å; Y126-S130 VanDerWaalsContact O-OG 3.09Å; Y126-T141 HydrophobicContact CD1-CG2 4.43Å; Y126-N144 HydrophobicContact CD1-CB 3.79Å; Y126-N144 HydrophobicContact CD2-CB 3.63Å; Y126-N144 HydrophobicContact CE1-CB 3.81Å; Y126-N144 HydrophobicContact CE2-CB 3.63Å; Y126-N144 HydrophobicContact CG-CB 3.72Å
127R98.4Very high96.1Very high15 Ų1531.8 Ų31.86%0.05718%0.181CC..Hα-helixtrans-60.2-43173.9172.5172.272.196.2-3.4111.5G123 D124 Y125 L129 S130 E131 S145 Y149 F177 E180 I181G123-R127 VanDerWaalsContact O-CB 3.3Å; G123-R127 WeakPolarHBondContact O-CB 3.47Å; G123-R127 PolarHBondContact O-N 3.22Å; D124-R127 WeakPolarHBondContact O-CB 3.4Å; D124-R127 PolarHBondContact O-N 3.34Å; D124-R127 IonicContact OD1-CZ 2.76Å; D124-R127 IonicContact OD1-NE 3.6Å; D124-R127 IonicContact OD1-NH2 2.93Å; D124-R127 PolarHBondContact OD1-NH2 3.14Å; D124-R127 VanDerWaalsContact OD1-NH2 3.08Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; R127-L129 VanDerWaalsContact C-N 3.33Å; R127-S130 WeakPolarHBondContact O-CB 3.48Å; R127-S130 PolarHBondContact O-N 3.06Å; R127-E131 PolarHBondContact O-N 2.9Å; R127-E131 VanDerWaalsContact O-N 3.08Å; R127-S145 PolarHBondContact N-OG 2.72Å; R127-Y149 PolarHBondContact NE-OH 3.2Å; R127-F177 HydrophobicContact CB-CD2 4.28Å; R127-F177 HydrophobicContact CG-CD2 4.24Å; R127-E180 IonicContact NH1-OE2 3.99Å; R127-E180 PolarHBondContact NH1-OE2 3.33Å; R127-I181 HydrophobicContact CG-CD1 4.28Å; R127-I181 HydrophobicContact CG-CG1 3.81Å
128Y98.3Very high95.9Very high23 Ų2335 Ų359%0.0920%0.195CC..Hα-helixtrans-64.7-37.2175.5-55.2-32.1000112.4V52 R56 D124 Y125 Y126 E131V52-Y128 HydrophobicContact CG1-CD2 3.9Å; V52-Y128 HydrophobicContact CG1-CE2 3.74Å; V52-Y128 HydrophobicContact CG2-CD2 3.97Å; R56-Y128 VanDerWaalsContact CZ-CE1 3.46Å; D124-Y128 HydrophobicContact CB-CE2 4.15Å; D124-Y128 WeakPolarHBondContact O-CD1 3.44Å; D124-Y128 VanDerWaalsContact O-CD2 3.23Å; D124-Y128 WeakPolarHBondContact O-CD2 3.33Å; D124-Y128 PolarHBondContact O-N 3.04Å; Y125-Y128 HydrophobicContact CD1-CD2 4.09Å; Y125-Y128 HydrophobicContact CE1-CD2 4.38Å; Y125-Y128 HydrophobicContact CG-CD2 4.44Å; Y125-Y128 PolarHBondContact O-N 3.16Å; Y126-Y128 VanDerWaalsContact C-N 3.33Å; Y126-Y128 PolarHBondContact O-N 3.03Å; Y128-E131 WeakPolarHBondContact O-CB 3.41Å; Y128-E131 PolarHBondContact O-N 3.03Å
129L98.2Very high95.8Very high10 Ų1041.6 Ų41.65%0.05223%0.226CC..Hα-helixtrans-64.1-41.8171.4-70.2172.5000111.7Q91 C94 L98 Y125 Y126 R127 E131 V132 A133 T141Q91-L129 HydrophobicContact CB-CD2 4.21Å; Q91-L129 HydrophobicContact CG-CD2 3.81Å; C94-L129 HydrophobicContact CB-CD1 3.98Å; C94-L129 HydrophobicContact CB-CD2 3.62Å; C94-L129 HydrophobicContact CB-CG 3.66Å; L98-L129 HydrophobicContact CD1-CD1 3.65Å; Y125-L129 WeakPolarHBondContact O-CG 3.21Å; Y125-L129 PolarHBondContact O-N 3.38Å; Y126-L129 HydrophobicContact CD1-CD1 3.97Å; Y126-L129 HydrophobicContact CE1-CD1 4.34Å; Y126-L129 WeakPolarHBondContact O-CB 3.31Å; Y126-L129 PolarHBondContact O-N 3.14Å; R127-L129 VanDerWaalsContact C-N 3.33Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 3.26Å; L129-V132 WeakPolarHBondContact O-CG2 3.5Å; L129-V132 PolarHBondContact O-N 2.52Å; L129-A133 WeakPolarHBondContact O-CB 3.34Å; L129-A133 PolarHBondContact O-N 3.23Å; L129-T141 HydrophobicContact CB-CG2 3.7Å; L129-T141 HydrophobicContact CD1-CG2 4.39Å
130S97.7Very high95.7Very high0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-63.8-28.2177.7-62.60000113.9Y126 R127 V132 T141 V142Y126-S130 PolarHBondContact O-N 3.4Å; Y126-S130 PolarHBondContact O-OG 3.24Å; Y126-S130 VanDerWaalsContact O-OG 3.09Å; R127-S130 WeakPolarHBondContact O-CB 3.48Å; R127-S130 PolarHBondContact O-N 3.06Å; S130-V132 VanDerWaalsContact C-N 3.28Å; S130-V132 PolarHBondContact O-N 2.86Å; S130-T141 WeakPolarHBondContact CA-OG1 3.24Å; S130-T141 WeakPolarHBondContact OG-CB 3.44Å; S130-T141 PolarHBondContact OG-OG1 2.95Å; S130-V142 PolarHBondContact OG-N 3.3Å; S130-V142 VanDerWaalsContact OG-N 3.14Å
131E95.7Very high95.7Very high44 Ų4444.2 Ų44.221%0.20625%0.245CC..Hα-helixtrans-62.9-35.3176-174175.1-170.700111.7R56 W59 R60 R127 Y128 L129R56-E131 IonicContact CZ-OE2 3.61Å; R56-E131 IonicContact NE-OE2 3.7Å; R56-E131 PolarHBondContact NE-OE2 3.29Å; R56-E131 IonicContact NH2-OE1 3.36Å; R56-E131 IonicContact NH2-OE2 2.82Å; R56-E131 PolarHBondContact NH2-OE2 2.76Å; W59-E131 HydrophobicContact CH2-CG 4.07Å; W59-E131 HydrophobicContact CZ3-CG 3.73Å; R60-E131 IonicContact CZ-OE1 2.96Å; R60-E131 VanDerWaalsContact CZ-OE1 3.31Å; R60-E131 IonicContact NE-OE1 3.72Å; R60-E131 PolarHBondContact NE-OE1 3.37Å; R60-E131 VanDerWaalsContact NE-OE1 3.13Å; R60-E131 IonicContact NH2-OE1 2.88Å; R60-E131 PolarHBondContact NH2-OE1 3.07Å; R60-E131 IonicContact NH2-OE2 2.99Å; R60-E131 PolarHBondContact NH2-OE2 3.46Å; R127-E131 PolarHBondContact O-N 2.9Å; R127-E131 VanDerWaalsContact O-N 3.08Å; Y128-E131 WeakPolarHBondContact O-CB 3.41Å; Y128-E131 PolarHBondContact O-N 3.03Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 3.26Å
132V94.9Very high95.6Very high15 Ų1545 Ų459%0.09125%0.25CS..Hα-helixtrans-106.6-12.1-176.7-560000114.2W59 E87 L90 L129 S130W59-V132 HydrophobicContact CD2-CG1 3.82Å; W59-V132 HydrophobicContact CE3-CG1 4.27Å; W59-V132 HydrophobicContact CG-CG1 4.22Å; W59-V132 HydrophobicContact CH2-CG1 4.3Å; W59-V132 HydrophobicContact CZ2-CB 4.42Å; W59-V132 HydrophobicContact CZ2-CG1 3.86Å; W59-V132 HydrophobicContact CZ3-CG1 4.49Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.33Å; L90-V132 HydrophobicContact CD2-CB 4.38Å; L90-V132 HydrophobicContact CD2-CG1 3.51Å; L90-V132 HydrophobicContact CD2-CG2 3.94Å; L129-V132 WeakPolarHBondContact O-CG2 3.5Å; L129-V132 PolarHBondContact O-N 2.52Å; S130-V132 VanDerWaalsContact C-N 3.28Å; S130-V132 PolarHBondContact O-N 2.86Å
133A93.7Very high95.6Very high17 Ų1745.6 Ų45.614%0.1426%0.263CS..  trans-77.3150.2-177.600000112.8L129 N137 K138L129-A133 WeakPolarHBondContact O-CB 3.34Å; L129-A133 PolarHBondContact O-N 3.23Å; A133-N137 HydrophobicContact CB-CB 4.22Å; A133-K138 HydrophobicContact CB-CB 4.1Å
134S88.1Confident95.6Very high92 Ų9248 Ų4864%0.64328%0.275SS*.  trans-126.6156.8174.358.70000111.7
135G86.8Confident95.6Very high55 Ų5547.6 Ų47.657%0.56727%0.273SS*.THydrogen-bonded Turntrans59.6-138.6175.800000113.5N137 K138 Q139G135-N137 VanDerWaalsContact C-N 3.26Å; G135-N137 PolarHBondContact O-N 3.05Å; G135-K138 WeakPolarHBondContact O-CB 3.42Å; G135-K138 PolarHBondContact O-N 2.76Å; G135-Q139 PolarHBondContact O-N 3.02Å
136D86.8Confident95.6Very high121 Ų12150.7 Ų50.765%0.64729%0.288SS*.Hα-helixtrans-63.4-30.6-176.4-61.3-20.2000113.2K138 Q139 T140D136-K138 PolarHBondContact O-N 2.83Å; D136-Q139 PolarHBondContact O-N 3.42Å; D136-T140 PolarHBondContact O-N 3.26Å; D136-T140 VanDerWaalsContact O-N 3.07Å; D136-T140 PolarHBondContact O-OG1 3.4Å; D136-T140 VanDerWaalsContact O-OG1 3.04Å
137N91.4Very high95.6Very high112 Ų11255 Ų5560%0.59931%0.309SS*.Hα-helixtrans-62.8-34.9174.2-69.8-13.4000111.1A133 G135 T141A133-N137 HydrophobicContact CB-CB 4.22Å; G135-N137 VanDerWaalsContact C-N 3.26Å; G135-N137 PolarHBondContact O-N 3.05Å; N137-T141 WeakPolarHBondContact O-CB 3.22Å; N137-T141 VanDerWaalsContact O-CG2 3.24Å; N137-T141 WeakPolarHBondContact O-CG2 3.47Å; N137-T141 PolarHBondContact O-N 2.99Å; N137-T141 PolarHBondContact O-OG1 3.46Å
138K95.2Very high95.6Very high93 Ų9354.5 Ų54.540%0.40431%0.309SS..Hα-helixtrans-66.7-47.1176.5-168.9172-173.81680110.9A133 G135 D136 T140 T141 V142A133-K138 HydrophobicContact CB-CB 4.1Å; G135-K138 WeakPolarHBondContact O-CB 3.42Å; G135-K138 PolarHBondContact O-N 2.76Å; D136-K138 PolarHBondContact O-N 2.83Å; K138-T140 VanDerWaalsContact C-N 3.32Å; K138-T140 PolarHBondContact O-N 3.31Å; K138-T141 PolarHBondContact O-N 3.17Å; K138-T141 PolarHBondContact O-OG1 2.91Å; K138-V142 HydrophobicContact CG-CG2 4.18Å; K138-V142 WeakPolarHBondContact O-CB 3.49Å; K138-V142 WeakPolarHBondContact O-CG2 3.26Å; K138-V142 PolarHBondContact O-N 3.37Å
139Q95.7Very high95.6Very high140 Ų14053.4 Ų53.465%0.65430%0.304SS*.Hα-helixtrans-59-45178.8-63-179.617.100111.8G135 D136 V142 A143G135-Q139 PolarHBondContact O-N 3.02Å; D136-Q139 PolarHBondContact O-N 3.42Å; Q139-V142 PolarHBondContact O-N 3.44Å; Q139-A143 WeakPolarHBondContact O-CB 3.42Å; Q139-A143 PolarHBondContact O-N 3.22Å
140T97.4Very high95.7Very high79 Ų7956.1 Ų56.149%0.48532%0.317SS..Hα-helixtrans-62.9-47.7179-56.30000112.2D136 K138 V142 A143 N144D136-T140 PolarHBondContact O-N 3.26Å; D136-T140 VanDerWaalsContact O-N 3.07Å; D136-T140 PolarHBondContact O-OG1 3.4Å; D136-T140 VanDerWaalsContact O-OG1 3.04Å; K138-T140 VanDerWaalsContact C-N 3.32Å; K138-T140 PolarHBondContact O-N 3.31Å; T140-V142 PolarHBondContact O-N 3.36Å; T140-A143 PolarHBondContact O-N 3.49Å; T140-N144 WeakPolarHBondContact O-CB 3.42Å; T140-N144 PolarHBondContact O-N 3.08Å; T140-N144 PolarHBondContact O-ND2 3.01Å
141T97.9Very high95.7Very high16 Ų1659.7 Ų59.710%0.09833%0.333CS..Hα-helixtrans-65.5-39.4179.852.90000111.8Y126 L129 S130 N137 K138 N144 S145Y126-T141 HydrophobicContact CD1-CG2 4.43Å; L129-T141 HydrophobicContact CB-CG2 3.7Å; L129-T141 HydrophobicContact CD1-CG2 4.39Å; S130-T141 WeakPolarHBondContact CA-OG1 3.24Å; S130-T141 WeakPolarHBondContact OG-CB 3.44Å; S130-T141 PolarHBondContact OG-OG1 2.95Å; N137-T141 WeakPolarHBondContact O-CB 3.22Å; N137-T141 VanDerWaalsContact O-CG2 3.24Å; N137-T141 WeakPolarHBondContact O-CG2 3.47Å; N137-T141 PolarHBondContact O-N 2.99Å; N137-T141 PolarHBondContact O-OG1 3.46Å; K138-T141 PolarHBondContact O-N 3.17Å; K138-T141 PolarHBondContact O-OG1 2.91Å; T141-N144 PolarHBondContact O-N 3.02Å; T141-S145 WeakPolarHBondContact O-CB 3.37Å; T141-S145 PolarHBondContact O-N 3.5Å
142V98.3Very high95.8Very high23 Ų2357.6 Ų57.614%0.13932%0.324CS..Hα-helixtrans-62.3-47.9176.6170.80000110.9S130 K138 Q139 T140 N144 S145 Q146 F177 I181 L182S130-V142 PolarHBondContact OG-N 3.3Å; S130-V142 VanDerWaalsContact OG-N 3.14Å; K138-V142 HydrophobicContact CG-CG2 4.18Å; K138-V142 WeakPolarHBondContact O-CB 3.49Å; K138-V142 WeakPolarHBondContact O-CG2 3.26Å; K138-V142 PolarHBondContact O-N 3.37Å; Q139-V142 PolarHBondContact O-N 3.44Å; T140-V142 PolarHBondContact O-N 3.36Å; V142-N144 PolarHBondContact O-N 2.91Å; V142-S145 PolarHBondContact O-N 3.04Å; V142-Q146 WeakPolarHBondContact O-CB 3.37Å; V142-Q146 PolarHBondContact O-N 2.8Å; V142-F177 HydrophobicContact CG1-CE2 4.49Å; V142-F177 HydrophobicContact CG1-CZ 4.09Å; V142-I181 HydrophobicContact CG1-CG2 4.48Å; V142-I181 HydrophobicContact CG2-CG2 3.6Å; V142-L182 HydrophobicContact CG1-CD2 3.52Å
143A98.2Very high96Very high53 Ų5358 Ų5844%0.43832%0.324SS..Hα-helixtrans-60.9-45.3178.900000111.8Q139 T140 Q146 Q147Q139-A143 WeakPolarHBondContact O-CB 3.42Å; Q139-A143 PolarHBondContact O-N 3.22Å; T140-A143 PolarHBondContact O-N 3.49Å; A143-Q146 PolarHBondContact O-N 2.96Å; A143-Q147 WeakPolarHBondContact O-CB 3.26Å; A143-Q147 PolarHBondContact O-N 3.39Å
144N98.5Very high96.2Very high50 Ų5062.2 Ų62.227%0.26734%0.341SS..Hα-helixtrans-65.8-39.8178.2-72-25.8000112.5Y126 T140 T141 V142 Q147 A148Y126-N144 HydrophobicContact CD1-CB 3.79Å; Y126-N144 HydrophobicContact CD2-CB 3.63Å; Y126-N144 HydrophobicContact CE1-CB 3.81Å; Y126-N144 HydrophobicContact CE2-CB 3.63Å; Y126-N144 HydrophobicContact CG-CB 3.72Å; T140-N144 WeakPolarHBondContact O-CB 3.42Å; T140-N144 PolarHBondContact O-N 3.08Å; T140-N144 PolarHBondContact O-ND2 3.01Å; T141-N144 PolarHBondContact O-N 3.02Å; V142-N144 PolarHBondContact O-N 2.91Å; N144-Q147 PolarHBondContact O-N 2.97Å; N144-A148 WeakPolarHBondContact O-CB 3.3Å; N144-A148 PolarHBondContact O-N 3.46Å
145S98.7Very high96.7Very high0 Ų059.5 Ų59.50%032%0.319CS..Hα-helixtrans-60.6-49.7175-172.90000110.7G123 R127 T141 V142 Q147 A148 Y149 F177G123-S145 PolarHBondContact O-OG 3.13Å; R127-S145 PolarHBondContact N-OG 2.72Å; T141-S145 WeakPolarHBondContact O-CB 3.37Å; T141-S145 PolarHBondContact O-N 3.5Å; V142-S145 PolarHBondContact O-N 3.04Å; S145-Q147 PolarHBondContact O-N 2.71Å; S145-A148 PolarHBondContact O-N 3.41Å; S145-Y149 WeakPolarHBondContact O-CD2 3.28Å; S145-Y149 PolarHBondContact O-N 3.08Å; S145-Y149 VanDerWaalsContact OG-CE2 3.28Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.14Å; S145-F177 WeakPolarHBondContact OG-CD2 3.44Å; S145-F177 WeakPolarHBondContact OG-CE2 3.44Å
146Q98.7Very high97.3Very high72 Ų7256.9 Ų56.934%0.33629%0.292SS..Hα-helixtrans-61.3-44.1178.9-173.61732.300112.1V142 A143 Y149 Q150 F177V142-Q146 WeakPolarHBondContact O-CB 3.37Å; V142-Q146 PolarHBondContact O-N 2.8Å; A143-Q146 PolarHBondContact O-N 2.96Å; Q146-Y149 PolarHBondContact O-N 3.19Å; Q146-Q150 WeakPolarHBondContact O-CB 3.5Å; Q146-Q150 PolarHBondContact O-N 3.38Å; Q146-F177 HydrophobicContact CB-CE1 3.8Å; Q146-F177 HydrophobicContact CB-CZ 3.85Å; Q146-F177 HydrophobicContact CG-CE1 4.18Å
147Q98.7Very high97.8Very high125 Ų12556 Ų5658%0.58428%0.282SS*.Hα-helixtrans-60.1-47.8178.2-178.7-178.4-6.700111.4A143 N144 S145 Y149 Q150 E151A143-Q147 WeakPolarHBondContact O-CB 3.26Å; A143-Q147 PolarHBondContact O-N 3.39Å; N144-Q147 PolarHBondContact O-N 2.97Å; S145-Q147 PolarHBondContact O-N 2.71Å; Q147-Y149 PolarHBondContact O-N 2.93Å; Q147-Q150 PolarHBondContact O-N 3.46Å; Q147-E151 PolarHBondContact O-N 3.02Å
148A98.8Very high98.1Very high5 Ų558.5 Ų58.54%0.04129%0.288CS..Hα-helixtrans-63.4-43.1-179.100000112K122 N144 S145 A152K122-A148 HydrophobicContact CB-CB 4.02Å; K122-A148 HydrophobicContact CD-CB 4.21Å; K122-A148 HydrophobicContact CG-CB 3.93Å; N144-A148 WeakPolarHBondContact O-CB 3.3Å; N144-A148 PolarHBondContact O-N 3.46Å; S145-A148 PolarHBondContact O-N 3.41Å; A148-A152 WeakPolarHBondContact O-CB 3.35Å; A148-A152 PolarHBondContact O-N 3.38Å
149Y98.9Very high98.2Very high0 Ų058.6 Ų58.60%029%0.29CS..Hα-helixtrans-64.5-42174.7-75.4-54.3000112.8K120 G123 D124 R127 S145 Q146 Q147 A152 F153 L170 N173 F174 F177K120-Y149 HydrophobicContact CG-CE1 4.49Å; G123-Y149 WeakPolarHBondContact O-CE2 3.49Å; G123-Y149 PolarHBondContact O-OH 2.92Å; D124-Y149 VanDerWaalsContact CA-OH 3.3Å; D124-Y149 WeakPolarHBondContact CA-OH 3.43Å; D124-Y149 PolarHBondContact N-OH 3.07Å; D124-Y149 PolarHBondContact OD1-OH 3.25Å; R127-Y149 PolarHBondContact NE-OH 3.2Å; S145-Y149 WeakPolarHBondContact O-CD2 3.28Å; S145-Y149 PolarHBondContact O-N 3.08Å; S145-Y149 VanDerWaalsContact OG-CE2 3.28Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.14Å; Q146-Y149 PolarHBondContact O-N 3.19Å; Q147-Y149 PolarHBondContact O-N 2.93Å; Y149-A152 PolarHBondContact O-N 3.37Å; Y149-F153 VanDerWaalsContact O-CB 3.24Å; Y149-F153 WeakPolarHBondContact O-CB 3.3Å; Y149-F153 PolarHBondContact O-N 3.44Å; Y149-L170 HydrophobicContact CD1-CD1 3.64Å; Y149-L170 HydrophobicContact CE1-CD1 4.32Å; Y149-N173 HydrophobicContact CE1-CB 4.18Å; Y149-F174 VanDerWaalsContact CB-CD2 3.43Å; Y149-F174 VanDerWaalsContact CB-CE2 3.47Å; Y149-F174 HydrophobicContact CD1-CB 3.96Å; Y149-F174 HydrophobicContact CD1-CD2 4.35Å; Y149-F174 HydrophobicContact CD1-CG 4.2Å; Y149-F174 AromaticContact CD2-CD2 3.58Å; Y149-F174 HydrophobicContact CD2-CD2 3.58Å; Y149-F174 AromaticContact CD2-CE2 3.99Å; Y149-F174 HydrophobicContact CD2-CE2 3.99Å; Y149-F174 HydrophobicContact CD2-CG 4.24Å; Y149-F174 HydrophobicContact CE1-CB 4.39Å; Y149-F174 HydrophobicContact CE2-CD2 4.39Å; Y149-F174 HydrophobicContact CG-CB 4.03Å; Y149-F174 HydrophobicContact CG-CD1 4.43Å; Y149-F174 AromaticContact CG-CD2 3.56Å; Y149-F174 HydrophobicContact CG-CD2 3.56Å; Y149-F174 HydrophobicContact CG-CE2 4.02Å; Y149-F174 AromaticContact CG-CG 3.79Å; Y149-F174 HydrophobicContact CG-CG 3.79Å; Y149-F177 HydrophobicContact CD2-CB 4.23Å; Y149-F177 HydrophobicContact CD2-CD1 4.25Å; Y149-F177 HydrophobicContact CD2-CG 4.12Å; Y149-F177 HydrophobicContact CE2-CB 3.75Å; Y149-F177 HydrophobicContact CE2-CD2 4.24Å; Y149-F177 AromaticContact CE2-CG 3.92Å; Y149-F177 HydrophobicContact CE2-CG 3.92Å
150Q98.7Very high98.2Very high67 Ų6752.7 Ų52.731%0.31326%0.262SS..Hα-helixtrans-63.9-45.1179-168.367.247.900111Q146 Q147 A152 F153 E154Q146-Q150 WeakPolarHBondContact O-CB 3.5Å; Q146-Q150 PolarHBondContact O-N 3.38Å; Q147-Q150 PolarHBondContact O-N 3.46Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.44Å; Q150-F153 PolarHBondContact O-N 3.38Å; Q150-F153 VanDerWaalsContact O-N 3.12Å; Q150-E154 PolarHBondContact NE2-OE1 3.31Å; Q150-E154 WeakPolarHBondContact O-CG 3.23Å; Q150-E154 PolarHBondContact O-N 3.33Å
151E98.6Very high98.1Very high74 Ų7454.6 Ų54.635%0.34627%0.266SS..Hα-helixtrans-60.8-44.6176.7-168.8-175.3163.900111.3K115 L119 Q147 F153 I155K115-E151 WeakPolarHBondContact CE-OE1 3.24Å; K115-E151 IonicContact NZ-OE1 3.86Å; K115-E151 PolarHBondContact NZ-OE1 2.92Å; L119-E151 HydrophobicContact CD1-CB 4.09Å; L119-E151 HydrophobicContact CD1-CG 3.7Å; L119-E151 HydrophobicContact CD2-CB 4.43Å; L119-E151 HydrophobicContact CD2-CG 4.43Å; Q147-E151 PolarHBondContact O-N 3.02Å; E151-F153 VanDerWaalsContact C-N 3.26Å; E151-F153 PolarHBondContact O-N 2.87Å; E151-I155 HydrophobicContact CG-CD1 4.2Å; E151-I155 WeakPolarHBondContact O-CG1 3.36Å; E151-I155 PolarHBondContact O-N 2.92Å
152A98.8Very high98.1Very high0 Ų054.5 Ų54.50%027%0.265CS..Hα-helixtrans-58.6-41.4174.300000111.5V116 L119 A148 Y149 Q150 I155 S156 L170V116-A152 HydrophobicContact CG1-CB 4.36Å; L119-A152 HydrophobicContact CB-CB 3.66Å; A148-A152 WeakPolarHBondContact O-CB 3.35Å; A148-A152 PolarHBondContact O-N 3.38Å; Y149-A152 PolarHBondContact O-N 3.37Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.44Å; A152-I155 PolarHBondContact O-N 2.93Å; A152-S156 VanDerWaalsContact O-CB 3.27Å; A152-S156 WeakPolarHBondContact O-CB 3.5Å; A152-S156 PolarHBondContact O-N 3.27Å; A152-S156 PolarHBondContact O-OG 3.43Å; A152-L170 VanDerWaalsContact C-CD2 3.49Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.65Å; A152-L170 HydrophobicContact CB-CG 4.4Å
153F98.4Very high98Very high25 Ų2553.6 Ų53.611%0.1126%0.26CS..Hα-helixtrans-69.4-44.1-174.9-165.3-114.1000111.8Y149 Q150 E151 I155 S156 K157 L170 L191Y149-F153 VanDerWaalsContact O-CB 3.24Å; Y149-F153 WeakPolarHBondContact O-CB 3.3Å; Y149-F153 PolarHBondContact O-N 3.44Å; Q150-F153 PolarHBondContact O-N 3.38Å; Q150-F153 VanDerWaalsContact O-N 3.12Å; E151-F153 VanDerWaalsContact C-N 3.26Å; E151-F153 PolarHBondContact O-N 2.87Å; F153-I155 PolarHBondContact O-N 3.49Å; F153-S156 WeakPolarHBondContact CA-OG 3.21Å; F153-S156 PolarHBondContact O-N 2.97Å; F153-S156 PolarHBondContact O-OG 3.18Å; F153-K157 HydrophobicContact CD1-CD 4.02Å; F153-K157 HydrophobicContact CE1-CD 3.77Å; F153-K157 HydrophobicContact CE1-CG 4.43Å; F153-K157 VanDerWaalsContact CE1-NZ 3.25Å; F153-K157 HydrophobicContact CZ-CD 4.23Å; F153-K157 WeakPolarHBondContact O-CB 3.43Å; F153-K157 WeakPolarHBondContact O-CG 3.42Å; F153-K157 PolarHBondContact O-N 3.34Å; F153-L170 HydrophobicContact CB-CD2 4.16Å; F153-L170 HydrophobicContact CD2-CD2 4.13Å; F153-L170 HydrophobicContact CD2-CG 4.46Å; F153-L191 HydrophobicContact CE1-CD1 4.22Å; F153-L191 HydrophobicContact CE2-CD1 3.61Å; F153-L191 HydrophobicContact CZ-CD1 3.38Å
154E98.3Very high97.9Very high105 Ų10553.4 Ų53.449%0.49125%0.25SC..Hα-helixtrans-59.4-45.4175.3-66.4-49.7137.500112.1Q150 K158Q150-E154 PolarHBondContact NE2-OE1 3.31Å; Q150-E154 WeakPolarHBondContact O-CG 3.23Å; Q150-E154 PolarHBondContact O-N 3.33Å; E154-K158 PolarHBondContact O-N 2.83Å
155I98.5Very high97.8Very high34 Ų3452.1 Ų52.117%0.17424%0.244CC..Hα-helixtrans-65.1-45.9177.3-61.4165.5000110P112 K115 V116 L119 E151 A152 F153 K157 K158 E159P112-I155 HydrophobicContact CB-CG2 4.22Å; K115-I155 HydrophobicContact CD-CD1 3.79Å; K115-I155 HydrophobicContact CG-CD1 3.99Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; L119-I155 HydrophobicContact CD1-CD1 3.75Å; E151-I155 HydrophobicContact CG-CD1 4.2Å; E151-I155 WeakPolarHBondContact O-CG1 3.36Å; E151-I155 PolarHBondContact O-N 2.92Å; A152-I155 PolarHBondContact O-N 2.93Å; F153-I155 PolarHBondContact O-N 3.49Å; I155-K157 VanDerWaalsContact C-N 3.33Å; I155-K157 PolarHBondContact O-N 3.01Å; I155-K158 PolarHBondContact O-N 2.95Å; I155-E159 HydrophobicContact CG2-CG 4.21Å; I155-E159 WeakPolarHBondContact O-CB 3.34Å; I155-E159 PolarHBondContact O-N 3.47Å
156S98.3Very high97.7Very high0 Ų053 Ų530%025%0.249CC..Hα-helixtrans-63.4-36.6-177.575.90000113.1A152 F153 K158 M160A152-S156 VanDerWaalsContact O-CB 3.27Å; A152-S156 WeakPolarHBondContact O-CB 3.5Å; A152-S156 PolarHBondContact O-N 3.27Å; A152-S156 PolarHBondContact O-OG 3.43Å; F153-S156 WeakPolarHBondContact CA-OG 3.21Å; F153-S156 PolarHBondContact O-N 2.97Å; F153-S156 PolarHBondContact O-OG 3.18Å; S156-K158 VanDerWaalsContact C-N 3.31Å; S156-K158 PolarHBondContact O-N 3.17Å; S156-M160 VanDerWaalsContact O-CB 3.29Å; S156-M160 WeakPolarHBondContact O-CB 3.34Å; S156-M160 PolarHBondContact O-N 3.41Å; S156-M160 VanDerWaalsContact O-N 3.07Å
157K97.3Very high97.7Very high103 Ų10350.8 Ų50.845%0.44824%0.237SC..Hα-helixtrans-65.6-35.2177.2-84.7-176160.11800112.6F153 I155F153-K157 HydrophobicContact CD1-CD 4.02Å; F153-K157 HydrophobicContact CE1-CD 3.77Å; F153-K157 HydrophobicContact CE1-CG 4.43Å; F153-K157 VanDerWaalsContact CE1-NZ 3.25Å; F153-K157 HydrophobicContact CZ-CD 4.23Å; F153-K157 WeakPolarHBondContact O-CB 3.43Å; F153-K157 WeakPolarHBondContact O-CG 3.42Å; F153-K157 PolarHBondContact O-N 3.34Å; I155-K157 VanDerWaalsContact C-N 3.33Å; I155-K157 PolarHBondContact O-N 3.01Å
158K97.5Very high97.7Very high165 Ų16545 Ų4572%0.71721%0.21SC*.Hα-helixtrans-83.5-38.2-177.4-174.6-176.3172-118.50112.8E154 I155 S156E154-K158 PolarHBondContact O-N 2.83Å; I155-K158 PolarHBondContact O-N 2.95Å; S156-K158 VanDerWaalsContact C-N 3.31Å; S156-K158 PolarHBondContact O-N 3.17Å
159E97.6Very high97.7Very high95 Ų9545.1 Ų45.144%0.44421%0.212SC..Hα-helixtrans-111.8-5.7-165.2-55.9-65.8158.200113.9P112 I155P112-E159 HydrophobicContact CB-CB 3.67Å; P112-E159 HydrophobicContact CB-CG 3.94Å; P112-E159 HydrophobicContact CG-CB 4.12Å; P112-E159 HydrophobicContact CG-CG 4.11Å; I155-E159 HydrophobicContact CG2-CG 4.21Å; I155-E159 WeakPolarHBondContact O-CB 3.34Å; I155-E159 PolarHBondContact O-N 3.47Å
160M96.5Very high97.7Very high15 Ų1545.1 Ų45.17%0.07421%0.212CC..SBendtrans-133.8140.4-171.9-48.8174.870.300111.7E113 V116 S156 H164 I166 R167E113-M160 HydrophobicContact CG-CE 4.32Å; V116-M160 HydrophobicContact CB-SD 3.98Å; V116-M160 HydrophobicContact CG1-SD 3.96Å; V116-M160 HydrophobicContact CG2-SD 3.82Å; S156-M160 VanDerWaalsContact O-CB 3.29Å; S156-M160 WeakPolarHBondContact O-CB 3.34Å; S156-M160 PolarHBondContact O-N 3.41Å; S156-M160 VanDerWaalsContact O-N 3.07Å; M160-H164 HydrophobicContact CB-CB 4.28Å; M160-H164 HydrophobicContact CE-CB 4.16Å; M160-H164 WeakPolarHBondContact CE-CE1 3.27Å; M160-H164 WeakPolarHBondContact CE-ND1 3.29Å; M160-I166 HydrophobicContact CE-CB 3.8Å; M160-I166 HydrophobicContact CE-CG2 3.91Å; M160-R167 HydrophobicContact CB-CB 4.39Å; M160-R167 HydrophobicContact CE-CB 4.41Å; M160-R167 PolarHBondContact O-NH1 3.33Å
161Q95.9Very high97.7Very high120 Ų12042 Ų4256%0.56120%0.198SC*.  trans-64.7147.5175.1-62-60-13.800111.3T163 H164 R167Q161-T163 PolarHBondContact O-N 3.5Å; Q161-T163 VanDerWaalsContact O-N 3.11Å; Q161-H164 WeakPolarHBondContact O-CB 3.48Å; Q161-H164 PolarHBondContact O-N 3.3Å; Q161-R167 WeakPolarHBondContact O-CD 3.44Å
162P97.1Very high97.7Very high13 Ų1339.4 Ų39.48%0.08419%0.187CC..THydrogen-bonded Turntrans-51.4-32.7175.3-28.135.4000114.5H164 L168 E198 E202P162-H164 VanDerWaalsContact C-N 3.3Å; P162-H164 PolarHBondContact O-N 3.23Å; P162-L168 WeakPolarHBondContact O-CG 3.23Å; P162-E198 HydrophobicContact CB-CB 3.85Å; P162-E198 HydrophobicContact CG-CB 4.3Å; P162-E202 WeakPolarHBondContact CD-OE2 3.37Å
163T96.4Very high97.7Very high4 Ų440.8 Ų40.83%0.02519%0.194CC..THydrogen-bonded Turntrans-81.5-3.2179.853.50000114.1Q161 A199 E202 L206 S214Q161-T163 PolarHBondContact O-N 3.5Å; Q161-T163 VanDerWaalsContact O-N 3.11Å; T163-A199 HydrophobicContact CG2-CB 4.34Å; T163-A199 WeakPolarHBondContact CG2-O 3.34Å; T163-E202 HydrophobicContact CG2-CB 3.84Å; T163-L206 HydrophobicContact CG2-CD1 4.36Å; T163-L206 HydrophobicContact CG2-CD2 4.47Å; T163-L206 HydrophobicContact CG2-CG 4.16Å; T163-L206 WeakPolarHBondContact OG1-CD2 3.33Å; T163-S214 WeakPolarHBondContact O-CB 3.42Å; T163-S214 PolarHBondContact O-OG 2.82Å
164H96Very high97.7Very high50 Ų5039.7 Ų39.723%0.23119%0.189CC..  trans-68.1128.1-176.9-169.9-57.9000111.3M160 Q161 P162 I166 R167 L168M160-H164 HydrophobicContact CB-CB 4.28Å; M160-H164 HydrophobicContact CE-CB 4.16Å; M160-H164 WeakPolarHBondContact CE-CE1 3.27Å; M160-H164 WeakPolarHBondContact CE-ND1 3.29Å; Q161-H164 WeakPolarHBondContact O-CB 3.48Å; Q161-H164 PolarHBondContact O-N 3.3Å; P162-H164 VanDerWaalsContact C-N 3.3Å; P162-H164 PolarHBondContact O-N 3.23Å; H164-I166 PolarHBondContact ND1-N 3.41Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 3.46Å; H164-R167 HydrophobicContact CB-CB 4.23Å; H164-R167 PolarHBondContact O-N 3.5Å; H164-L168 PolarHBondContact O-N 3.12Å
165P96.4Very high97.7Very high22 Ų2234.7 Ų34.714%0.14317%0.166CC..Hα-helixtrans-53.4-44.1-175.4-27.431.2000114.6L168 G169 D213 S214 I217P165-L168 PolarHBondContact O-N 2.63Å; P165-G169 PolarHBondContact O-N 3.22Å; P165-D213 HydrophobicContact CB-CB 4.15Å; P165-D213 HydrophobicContact CG-CB 4.05Å; P165-S214 WeakPolarHBondContact CD-OG 3.42Å; P165-S214 WeakPolarHBondContact CG-OG 3.18Å; P165-I217 HydrophobicContact CB-CD1 4.1Å; P165-I217 VanDerWaalsContact O-CD1 3.26Å; P165-I217 WeakPolarHBondContact O-CD1 3.16Å
166I97.4Very high97.7Very high20 Ų2033.9 Ų33.910%0.10316%0.162CC..Hα-helixtrans-64-39.5176.8-68.8168000113E113 V116 F117 M160 H164 G169 L170E113-I166 HydrophobicContact CG-CD1 3.4Å; E113-I166 VanDerWaalsContact CG-CD1 3.4Å; E113-I166 VanDerWaalsContact OE1-CD1 3.26Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.27Å; V116-I166 HydrophobicContact CB-CG2 4.3Å; V116-I166 HydrophobicContact CG1-CG2 3.73Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CD2-CD1 3.8Å; F117-I166 HydrophobicContact CD2-CG1 4.09Å; M160-I166 HydrophobicContact CE-CB 3.8Å; M160-I166 HydrophobicContact CE-CG2 3.91Å; H164-I166 PolarHBondContact ND1-N 3.41Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 3.46Å; I166-G169 PolarHBondContact O-N 3.29Å; I166-L170 WeakPolarHBondContact O-CB 3.45Å; I166-L170 PolarHBondContact O-N 3.09Å
167R98Very high97.7Very high25 Ų2533.9 Ų33.99%0.09416%0.162CC..Hα-helixtrans-66.3-44.3176.5177.5175.9167.3172.3-6.3110.8M160 Q161 H164 L170 A171 E198M160-R167 HydrophobicContact CB-CB 4.39Å; M160-R167 HydrophobicContact CE-CB 4.41Å; M160-R167 PolarHBondContact O-NH1 3.33Å; Q161-R167 WeakPolarHBondContact O-CD 3.44Å; H164-R167 HydrophobicContact CB-CB 4.23Å; H164-R167 PolarHBondContact O-N 3.5Å; R167-L170 WeakPolarHBondContact O-CB 3.24Å; R167-L170 PolarHBondContact O-N 2.9Å; R167-A171 PolarHBondContact O-N 2.92Å; R167-E198 IonicContact CZ-OE2 3.6Å; R167-E198 IonicContact NH2-OE2 3.93Å; R167-E198 PolarHBondContact NH2-OE2 3.42Å
168L98.5Very high97.8Very high2 Ų230.2 Ų30.21%0.0115%0.146CC..Hα-helixtrans-61-45.3174-75.5169.1000111.8P162 H164 P165 L170 A171 L172 A199 I217 M218 L221P162-L168 WeakPolarHBondContact O-CG 3.23Å; H164-L168 PolarHBondContact O-N 3.12Å; P165-L168 PolarHBondContact O-N 2.63Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L168-L170 PolarHBondContact O-N 3.28Å; L168-A171 PolarHBondContact O-N 3.46Å; L168-L172 PolarHBondContact O-N 3.43Å; L168-A199 HydrophobicContact CD1-CB 4.41Å; L168-A199 HydrophobicContact CD2-CB 3.74Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.45Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L168-M218 HydrophobicContact CD1-CG 3.95Å; L168-M218 HydrophobicContact CD1-SD 4.38Å; L168-M218 HydrophobicContact CD2-CG 4.07Å; L168-L221 HydrophobicContact CD2-CD1 3.95Å
169G98.4Very high97.8Very high9 Ų924.5 Ų24.59%0.09312%0.12CC..Hα-helixtrans-64.6-33.1178.100000112.7K120 P165 I166 N173K120-G169 WeakPolarHBondContact CE-O 3.45Å; P165-G169 PolarHBondContact O-N 3.22Å; I166-G169 PolarHBondContact O-N 3.29Å; G169-N173 PolarHBondContact O-N 3.37Å; G169-N173 VanDerWaalsContact O-N 3.08Å
170L98.8Very high97.8Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-64.4-49.3170.8169.763.1000111.2V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174V116-L170 HydrophobicContact CG1-CD2 4.05Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.12Å; K120-L170 HydrophobicContact CG-CB 4.3Å; K120-L170 HydrophobicContact CG-CD1 3.99Å; Y149-L170 HydrophobicContact CD1-CD1 3.64Å; Y149-L170 HydrophobicContact CE1-CD1 4.32Å; A152-L170 VanDerWaalsContact C-CD2 3.49Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.65Å; A152-L170 HydrophobicContact CB-CG 4.4Å; F153-L170 HydrophobicContact CB-CD2 4.16Å; F153-L170 HydrophobicContact CD2-CD2 4.13Å; F153-L170 HydrophobicContact CD2-CG 4.46Å; I166-L170 WeakPolarHBondContact O-CB 3.45Å; I166-L170 PolarHBondContact O-N 3.09Å; R167-L170 WeakPolarHBondContact O-CB 3.24Å; R167-L170 PolarHBondContact O-N 2.9Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L168-L170 PolarHBondContact O-N 3.28Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 2.85Å; L170-N173 PolarHBondContact O-N 3.27Å; L170-F174 VanDerWaalsContact O-CB 3.24Å; L170-F174 WeakPolarHBondContact O-CB 3.29Å; L170-F174 PolarHBondContact O-N 2.95Å
171A98.8Very high97.8Very high2 Ų225.6 Ų25.62%0.01713%0.126CC..Hα-helixtrans-59.4-42.2177.600000111.8R167 L168 S175 A195R167-A171 PolarHBondContact O-N 2.92Å; L168-A171 PolarHBondContact O-N 3.46Å; A171-S175 VanDerWaalsContact O-CB 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.3Å; A171-S175 PolarHBondContact O-N 3.4Å; A171-S175 PolarHBondContact O-OG 3.47Å; A171-A195 HydrophobicContact CB-CB 3.43Å; A171-A195 VanDerWaalsContact CB-CB 3.43Å
172L98.7Very high97.9Very high19 Ų1922.2 Ų22.210%0.09911%0.111CC..Hα-helixtrans-56.3-56.5174.7178.264.8000111L168 L170 F174 S175 V176 I217 L220 L221 N224L168-L172 PolarHBondContact O-N 3.43Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 2.85Å; L172-F174 PolarHBondContact O-N 3.39Å; L172-S175 PolarHBondContact O-N 3.12Å; L172-S175 PolarHBondContact O-OG 3.34Å; L172-V176 WeakPolarHBondContact O-CG2 3.38Å; L172-V176 PolarHBondContact O-N 3.36Å; L172-V176 VanDerWaalsContact O-N 3.14Å; L172-I217 HydrophobicContact CB-CG2 4.31Å; L172-I217 HydrophobicContact CD2-CG2 4.2Å; L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.93Å; L172-L220 HydrophobicContact CD2-CD1 3.92Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.25Å; L172-L221 HydrophobicContact CD1-CD2 3.95Å; L172-L221 HydrophobicContact CD1-CG 4.17Å; L172-N224 VanDerWaalsContact CD1-ND2 3.32Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.28Å
173N98.6Very high97.8Very high29 Ų2928.2 Ų28.216%0.15514%0.142CC..Hα-helixtrans-69.7-34.9-174.9-73.415.4000112.9K120 D124 Y149 G169 L170 V176 F177K120-N173 PolarHBondContact NZ-ND2 3.18Å; D124-N173 WeakPolarHBondContact OD1-CB 2.9Å; D124-N173 PolarHBondContact OD1-ND2 3.02Å; D124-N173 PolarHBondContact OD2-ND2 3.46Å; Y149-N173 HydrophobicContact CE1-CB 4.18Å; G169-N173 PolarHBondContact O-N 3.37Å; G169-N173 VanDerWaalsContact O-N 3.08Å; L170-N173 PolarHBondContact O-N 3.27Å; N173-V176 PolarHBondContact O-N 3.45Å; N173-F177 PolarHBondContact O-N 3.04Å
174F98.8Very high97.9Very high2 Ų229.5 Ų29.51%0.00915%0.151CC..Hα-helixtrans-72.1-33.8177.5-167.5-166.8000111.9Y149 L170 L172 F177 Y178 L191Y149-F174 VanDerWaalsContact CB-CD2 3.43Å; Y149-F174 VanDerWaalsContact CB-CE2 3.47Å; Y149-F174 HydrophobicContact CD1-CB 3.96Å; Y149-F174 HydrophobicContact CD1-CD2 4.35Å; Y149-F174 HydrophobicContact CD1-CG 4.2Å; Y149-F174 AromaticContact CD2-CD2 3.58Å; Y149-F174 HydrophobicContact CD2-CD2 3.58Å; Y149-F174 AromaticContact CD2-CE2 3.99Å; Y149-F174 HydrophobicContact CD2-CE2 3.99Å; Y149-F174 HydrophobicContact CD2-CG 4.24Å; Y149-F174 HydrophobicContact CE1-CB 4.39Å; Y149-F174 HydrophobicContact CE2-CD2 4.39Å; Y149-F174 HydrophobicContact CG-CB 4.03Å; Y149-F174 HydrophobicContact CG-CD1 4.43Å; Y149-F174 AromaticContact CG-CD2 3.56Å; Y149-F174 HydrophobicContact CG-CD2 3.56Å; Y149-F174 HydrophobicContact CG-CE2 4.02Å; Y149-F174 AromaticContact CG-CG 3.79Å; Y149-F174 HydrophobicContact CG-CG 3.79Å; L170-F174 VanDerWaalsContact O-CB 3.24Å; L170-F174 WeakPolarHBondContact O-CB 3.29Å; L170-F174 PolarHBondContact O-N 2.95Å; L172-F174 PolarHBondContact O-N 3.39Å; F174-F177 HydrophobicContact CD2-CB 4.26Å; F174-F177 AromaticContact CD2-CD1 3.77Å; F174-F177 HydrophobicContact CD2-CD1 3.77Å; F174-F177 HydrophobicContact CD2-CG 4.41Å; F174-F177 AromaticContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CE1 4.12Å; F174-F177 WeakPolarHBondContact O-CB 3.47Å; F174-F177 PolarHBondContact O-N 3.47Å; F174-Y178 HydrophobicContact CD1-CE2 4.14Å; F174-Y178 HydrophobicContact CD2-CD2 4.03Å; F174-Y178 AromaticContact CD2-CE2 3.7Å; F174-Y178 HydrophobicContact CD2-CE2 3.7Å; F174-Y178 AromaticContact CE1-CE2 3.94Å; F174-Y178 HydrophobicContact CE1-CE2 3.94Å; F174-Y178 HydrophobicContact CE2-CD2 4.15Å; F174-Y178 HydrophobicContact CE2-CE1 4.33Å; F174-Y178 AromaticContact CE2-CE2 3.47Å; F174-Y178 HydrophobicContact CE2-CE2 3.47Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.47Å; F174-Y178 AromaticContact CE2-CZ 3.57Å; F174-Y178 HydrophobicContact CG-CD2 4.43Å; F174-Y178 HydrophobicContact CG-CE2 4.04Å; F174-Y178 AromaticContact CZ-CE2 3.61Å; F174-Y178 HydrophobicContact CZ-CE2 3.61Å; F174-Y178 AromaticContact CZ-CZ 3.57Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.37Å; F174-Y178 VanDerWaalsContact O-CD2 3.26Å; F174-Y178 WeakPolarHBondContact O-CD2 3.45Å; F174-Y178 PolarHBondContact O-N 3.33Å; F174-L191 HydrophobicContact CB-CD2 3.83Å; F174-L191 HydrophobicContact CD1-CD2 3.77Å; F174-L191 HydrophobicContact CG-CD2 3.85Å
175S98.7Very high97.9Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-64-41.4171.669.50000111.7A171 L172 F177 Y178 Y179 A188 W228A171-S175 VanDerWaalsContact O-CB 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.3Å; A171-S175 PolarHBondContact O-N 3.4Å; A171-S175 PolarHBondContact O-OG 3.47Å; L172-S175 PolarHBondContact O-N 3.12Å; L172-S175 PolarHBondContact O-OG 3.34Å; S175-F177 VanDerWaalsContact C-N 3.31Å; S175-F177 PolarHBondContact O-N 2.9Å; S175-Y178 PolarHBondContact O-N 3.42Å; S175-Y179 PolarHBondContact O-N 2.78Å; S175-A188 WeakPolarHBondContact CB-O 3.48Å; S175-A188 VanDerWaalsContact O-CB 3.24Å; S175-A188 WeakPolarHBondContact O-CB 3.49Å; S175-W228 WeakPolarHBondContact OG-CH2 3.38Å
176V98.4Very high97.9Very high16 Ų1634.6 Ų34.610%0.09718%0.176CC..Hα-helixtrans-61.7-39.2173.7175.40000111.3L172 N173 Y179 E180 W228L172-V176 WeakPolarHBondContact O-CG2 3.38Å; L172-V176 PolarHBondContact O-N 3.36Å; L172-V176 VanDerWaalsContact O-N 3.14Å; N173-V176 PolarHBondContact O-N 3.45Å; V176-Y179 PolarHBondContact O-N 3.34Å; V176-E180 HydrophobicContact CG1-CG 3.93Å; V176-E180 VanDerWaalsContact CG1-OE2 3.26Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.43Å; V176-E180 WeakPolarHBondContact O-CB 3.18Å; V176-E180 PolarHBondContact O-N 2.89Å; V176-W228 HydrophobicContact CG2-CH2 4.04Å; V176-W228 HydrophobicContact CG2-CZ2 4.01Å
177F98.7Very high98Very high0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-59.7-47.3172.6171.2-103.5000112.4R127 V142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182R127-F177 HydrophobicContact CB-CD2 4.28Å; R127-F177 HydrophobicContact CG-CD2 4.24Å; V142-F177 HydrophobicContact CG1-CE2 4.49Å; V142-F177 HydrophobicContact CG1-CZ 4.09Å; S145-F177 WeakPolarHBondContact OG-CD2 3.44Å; S145-F177 WeakPolarHBondContact OG-CE2 3.44Å; Q146-F177 HydrophobicContact CB-CE1 3.8Å; Q146-F177 HydrophobicContact CB-CZ 3.85Å; Q146-F177 HydrophobicContact CG-CE1 4.18Å; Y149-F177 HydrophobicContact CD2-CB 4.23Å; Y149-F177 HydrophobicContact CD2-CD1 4.25Å; Y149-F177 HydrophobicContact CD2-CG 4.12Å; Y149-F177 HydrophobicContact CE2-CB 3.75Å; Y149-F177 HydrophobicContact CE2-CD2 4.24Å; Y149-F177 AromaticContact CE2-CG 3.92Å; Y149-F177 HydrophobicContact CE2-CG 3.92Å; N173-F177 PolarHBondContact O-N 3.04Å; F174-F177 HydrophobicContact CD2-CB 4.26Å; F174-F177 AromaticContact CD2-CD1 3.77Å; F174-F177 HydrophobicContact CD2-CD1 3.77Å; F174-F177 HydrophobicContact CD2-CG 4.41Å; F174-F177 AromaticContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CE1 4.12Å; F174-F177 WeakPolarHBondContact O-CB 3.47Å; F174-F177 PolarHBondContact O-N 3.47Å; S175-F177 VanDerWaalsContact C-N 3.31Å; S175-F177 PolarHBondContact O-N 2.9Å; F177-Y179 VanDerWaalsContact C-N 3.26Å; F177-Y179 PolarHBondContact O-N 3.22Å; F177-I181 HydrophobicContact CD2-CB 3.73Å; F177-I181 HydrophobicContact CD2-CG1 3.81Å; F177-I181 HydrophobicContact CD2-CG2 4.09Å; F177-I181 HydrophobicContact CE2-CB 3.83Å; F177-I181 HydrophobicContact CE2-CG1 4.26Å; F177-I181 HydrophobicContact CE2-CG2 3.67Å; F177-I181 HydrophobicContact CZ-CG2 4.49Å; F177-I181 WeakPolarHBondContact O-CB 3.35Å; F177-I181 PolarHBondContact O-N 3.13Å; F177-L182 HydrophobicContact CD1-CD1 4.04Å; F177-L182 HydrophobicContact CD1-CG 4.31Å; F177-L182 HydrophobicContact CE1-CD1 3.32Å; F177-L182 HydrophobicContact CE1-CD2 4.45Å; F177-L182 HydrophobicContact CE1-CG 3.65Å; F177-L182 HydrophobicContact CZ-CD1 3.88Å; F177-L182 HydrophobicContact CZ-CD2 4.17Å; F177-L182 HydrophobicContact CZ-CG 3.76Å; F177-L182 PolarHBondContact O-N 3.09Å
178Y98.6Very high98Very high26 Ų2638 Ų3810%0.10219%0.191CC..Hα-helixtrans-59.1-40.3176.8-80.3-59.6000112F174 S175 L182 N183 S184 K187 L191F174-Y178 HydrophobicContact CD1-CE2 4.14Å; F174-Y178 HydrophobicContact CD2-CD2 4.03Å; F174-Y178 AromaticContact CD2-CE2 3.7Å; F174-Y178 HydrophobicContact CD2-CE2 3.7Å; F174-Y178 AromaticContact CE1-CE2 3.94Å; F174-Y178 HydrophobicContact CE1-CE2 3.94Å; F174-Y178 HydrophobicContact CE2-CD2 4.15Å; F174-Y178 HydrophobicContact CE2-CE1 4.33Å; F174-Y178 AromaticContact CE2-CE2 3.47Å; F174-Y178 HydrophobicContact CE2-CE2 3.47Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.47Å; F174-Y178 AromaticContact CE2-CZ 3.57Å; F174-Y178 HydrophobicContact CG-CD2 4.43Å; F174-Y178 HydrophobicContact CG-CE2 4.04Å; F174-Y178 AromaticContact CZ-CE2 3.61Å; F174-Y178 HydrophobicContact CZ-CE2 3.61Å; F174-Y178 AromaticContact CZ-CZ 3.57Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.37Å; F174-Y178 VanDerWaalsContact O-CD2 3.26Å; F174-Y178 WeakPolarHBondContact O-CD2 3.45Å; F174-Y178 PolarHBondContact O-N 3.33Å; S175-Y178 PolarHBondContact O-N 3.42Å; Y178-L182 HydrophobicContact CD1-CB 4.47Å; Y178-L182 HydrophobicContact CD1-CD1 3.56Å; Y178-L182 HydrophobicContact CE1-CD1 3.69Å; Y178-L182 CarbonylContact O-C 3.45Å; Y178-N183 PolarHBondContact O-N 3.08Å; Y178-S184 PolarHBondContact O-N 3.2Å; Y178-K187 HydrophobicContact CD1-CB 3.9Å; Y178-K187 HydrophobicContact CD1-CD 4.06Å; Y178-K187 HydrophobicContact CD2-CB 4.42Å; Y178-K187 HydrophobicContact CE1-CB 4.35Å; Y178-K187 HydrophobicContact CE1-CD 3.95Å; Y178-K187 HydrophobicContact CG-CB 3.97Å; Y178-L191 HydrophobicContact CD2-CD2 3.98Å; Y178-L191 HydrophobicContact CE2-CD2 3.93Å
179Y98.1Very high97.9Very high46 Ų4638.9 Ų38.918%0.1820%0.197CC..Hα-helixtrans-70.6-63.7179.7-164.9-97.5000111.8S175 V176 F177 N183 P185 A188 W228 E231S175-Y179 PolarHBondContact O-N 2.78Å; V176-Y179 PolarHBondContact O-N 3.34Å; F177-Y179 VanDerWaalsContact C-N 3.26Å; F177-Y179 PolarHBondContact O-N 3.22Å; Y179-N183 WeakPolarHBondContact O-CA 3.39Å; Y179-N183 PolarHBondContact O-N 2.84Å; Y179-P185 HydrophobicContact CD2-CB 3.94Å; Y179-P185 HydrophobicContact CE2-CB 3.78Å; Y179-A188 HydrophobicContact CD2-CB 4.24Å; Y179-W228 AromaticContact CD1-CD1 3.77Å; Y179-W228 AromaticContact CD1-CE2 3.93Å; Y179-W228 HydrophobicContact CD1-CG 4.47Å; Y179-W228 HydrophobicContact CD1-CZ2 4.48Å; Y179-W228 AromaticContact CD1-NE1 3.39Å; Y179-W228 HydrophobicContact CD2-CB 4.1Å; Y179-W228 AromaticContact CD2-CD1 3.63Å; Y179-W228 AromaticContact CD2-CD2 3.71Å; Y179-W228 HydrophobicContact CD2-CD2 3.71Å; Y179-W228 AromaticContact CD2-CE2 3.86Å; Y179-W228 HydrophobicContact CD2-CE3 4.38Å; Y179-W228 AromaticContact CD2-CG 3.56Å; Y179-W228 HydrophobicContact CD2-CG 3.56Å; Y179-W228 AromaticContact CD2-NE1 3.8Å; Y179-W228 AromaticContact CE1-CD1 3.44Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.44Å; Y179-W228 HydrophobicContact CE1-CG 4.32Å; Y179-W228 AromaticContact CE1-NE1 3.49Å; Y179-W228 HydrophobicContact CE2-CB 3.64Å; Y179-W228 AromaticContact CE2-CD1 3.33Å; Y179-W228 HydrophobicContact CE2-CD2 4.08Å; Y179-W228 AromaticContact CE2-CG 3.4Å; Y179-W228 HydrophobicContact CE2-CG 3.4Å; Y179-W228 VanDerWaalsContact CE2-CG 3.4Å; Y179-W228 AromaticContact CE2-NE1 3.93Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 AromaticContact CG-CD2 4Å; Y179-W228 HydrophobicContact CG-CD2 4Å; Y179-W228 AromaticContact CG-CE2 3.64Å; Y179-W228 HydrophobicContact CG-CG 4.12Å; Y179-W228 HydrophobicContact CG-CZ2 4.11Å; Y179-W228 AromaticContact CG-NE1 3.55Å; Y179-W228 AromaticContact CZ-CD1 3.22Å; Y179-W228 AromaticContact CZ-CG 3.81Å; Y179-W228 AromaticContact CZ-NE1 3.78Å; Y179-E231 PolarHBondContact OH-OE2 3.46Å
180E96.3Very high97.9Very high105 Ų10543.2 Ų43.249%0.49122%0.218SC..Hα-helixtrans-77.4-31.5-167.6-63.4-180166.500113.3R127 V176R127-E180 IonicContact NH1-OE2 3.99Å; R127-E180 PolarHBondContact NH1-OE2 3.33Å; V176-E180 HydrophobicContact CG1-CG 3.93Å; V176-E180 VanDerWaalsContact CG1-OE2 3.26Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.43Å; V176-E180 WeakPolarHBondContact O-CB 3.18Å; V176-E180 PolarHBondContact O-N 2.89Å
181I97.4Very high97.9Very high28 Ų2844.1 Ų44.114%0.14422%0.223CC..THydrogen-bonded Turntrans-105.8-45.2-171.8-54.5-54.9000112.5R127 V142 F177R127-I181 HydrophobicContact CG-CD1 4.28Å; R127-I181 HydrophobicContact CG-CG1 3.81Å; V142-I181 HydrophobicContact CG1-CG2 4.48Å; V142-I181 HydrophobicContact CG2-CG2 3.6Å; F177-I181 HydrophobicContact CD2-CB 3.73Å; F177-I181 HydrophobicContact CD2-CG1 3.81Å; F177-I181 HydrophobicContact CD2-CG2 4.09Å; F177-I181 HydrophobicContact CE2-CB 3.83Å; F177-I181 HydrophobicContact CE2-CG1 4.26Å; F177-I181 HydrophobicContact CE2-CG2 3.67Å; F177-I181 HydrophobicContact CZ-CG2 4.49Å; F177-I181 WeakPolarHBondContact O-CB 3.35Å; F177-I181 PolarHBondContact O-N 3.13Å
182L97.1Very high97.9Very high48 Ų4844 Ų4425%0.25122%0.222SC..THydrogen-bonded Turntrans-89.6-2.1180-68.7-177.1000113.6V142 F177 Y178 S184V142-L182 HydrophobicContact CG1-CD2 3.52Å; F177-L182 HydrophobicContact CD1-CD1 4.04Å; F177-L182 HydrophobicContact CD1-CG 4.31Å; F177-L182 HydrophobicContact CE1-CD1 3.32Å; F177-L182 HydrophobicContact CE1-CD2 4.45Å; F177-L182 HydrophobicContact CE1-CG 3.65Å; F177-L182 HydrophobicContact CZ-CD1 3.88Å; F177-L182 HydrophobicContact CZ-CD2 4.17Å; F177-L182 HydrophobicContact CZ-CG 3.76Å; F177-L182 PolarHBondContact O-N 3.09Å; Y178-L182 HydrophobicContact CD1-CB 4.47Å; Y178-L182 HydrophobicContact CD1-CD1 3.56Å; Y178-L182 HydrophobicContact CE1-CD1 3.69Å; Y178-L182 CarbonylContact O-C 3.45Å; L182-S184 PolarHBondContact O-N 3Å; L182-S184 VanDerWaalsContact O-N 3.12Å; L182-S184 PolarHBondContact O-OG 2.63Å
183N96.4Very high97.9Very high139 Ų13948.3 Ų48.374%0.74324%0.24SC*.  trans46.143.7-176.9-165.143.6000112.1Y178 Y179 P185Y178-N183 PolarHBondContact O-N 3.08Å; Y179-N183 WeakPolarHBondContact O-CA 3.39Å; Y179-N183 PolarHBondContact O-N 2.84Å; N183-P185 VanDerWaalsContact O-CD 3.3Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å
184S97.6Very high97.9Very high31 Ų3150.2 Ų50.222%0.21725%0.252CS..  trans-119.967.9-173.3-67.40000110Y178 L182 E186 K187 A188Y178-S184 PolarHBondContact O-N 3.2Å; L182-S184 PolarHBondContact O-N 3Å; L182-S184 VanDerWaalsContact O-N 3.12Å; L182-S184 PolarHBondContact O-OG 2.63Å; S184-E186 VanDerWaalsContact C-N 3.3Å; S184-E186 PolarHBondContact O-N 3.01Å; S184-K187 PolarHBondContact O-N 3.36Å; S184-K187 VanDerWaalsContact O-N 3.09Å; S184-A188 PolarHBondContact O-N 3.28Å
185P97Very high97.8Very high29 Ų2950.7 Ų50.719%0.18826%0.256CS..Hα-helixtrans-60.3-36.6-172.924.6-35.3000113Y179 N183 K187 A188 C189Y179-P185 HydrophobicContact CD2-CB 3.94Å; Y179-P185 HydrophobicContact CE2-CB 3.78Å; N183-P185 VanDerWaalsContact O-CD 3.3Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-K187 VanDerWaalsContact C-N 3.35Å; P185-K187 PolarHBondContact O-N 3.01Å; P185-A188 WeakPolarHBondContact O-CB 3.44Å; P185-A188 PolarHBondContact O-N 3.31Å; P185-C189 WeakPolarHBondContact O-CB 3.32Å; P185-C189 PolarHBondContact O-N 3.36Å; P185-C189 PolarHBondContact O-SG 3Å; P185-C189 VanDerWaalsContact O-SG 3.4Å
186E96.6Very high97.8Very high151 Ų15152.5 Ų52.571%0.70626%0.264SS*.Hα-helixtrans-58.7-44.7175.1-65-179.2177.200112.3S184 N190S184-E186 VanDerWaalsContact C-N 3.3Å; S184-E186 PolarHBondContact O-N 3.01Å; E186-N190 VanDerWaalsContact O-CB 3.22Å; E186-N190 WeakPolarHBondContact O-CB 3.47Å; E186-N190 PolarHBondContact O-N 2.82Å; E186-N190 PolarHBondContact O-ND2 3.04Å
187K97.8Very high97.8Very high117 Ų11755.1 Ų55.151%0.50928%0.278SS..Hα-helixtrans-67.5-40.2177.7-69.7-176.6179.8172.20111.4Y178 S184 P185 L191Y178-K187 HydrophobicContact CD1-CB 3.9Å; Y178-K187 HydrophobicContact CD1-CD 4.06Å; Y178-K187 HydrophobicContact CD2-CB 4.42Å; Y178-K187 HydrophobicContact CE1-CB 4.35Å; Y178-K187 HydrophobicContact CE1-CD 3.95Å; Y178-K187 HydrophobicContact CG-CB 3.97Å; S184-K187 PolarHBondContact O-N 3.36Å; S184-K187 VanDerWaalsContact O-N 3.09Å; P185-K187 VanDerWaalsContact C-N 3.35Å; P185-K187 PolarHBondContact O-N 3.01Å; K187-L191 WeakPolarHBondContact O-CB 3.34Å; K187-L191 PolarHBondContact O-N 3.23Å
188A98.2Very high97.7Very high0 Ų058.4 Ų58.40%029%0.293CS..Hα-helixtrans-59.7-52.3176.500000111.2S175 Y179 S184 P185 L191 A192 W228S175-A188 WeakPolarHBondContact CB-O 3.48Å; S175-A188 VanDerWaalsContact O-CB 3.24Å; S175-A188 WeakPolarHBondContact O-CB 3.49Å; Y179-A188 HydrophobicContact CD2-CB 4.24Å; S184-A188 PolarHBondContact O-N 3.28Å; P185-A188 WeakPolarHBondContact O-CB 3.44Å; P185-A188 PolarHBondContact O-N 3.31Å; A188-L191 PolarHBondContact O-N 3Å; A188-A192 WeakPolarHBondContact O-CB 3.36Å; A188-A192 PolarHBondContact O-N 3.34Å; A188-W228 HydrophobicContact CB-CE3 4.11Å; A188-W228 HydrophobicContact CB-CZ3 3.93Å
189C98.1Very high97.7Very high19 Ų1957.1 Ų57.113%0.12829%0.288CS..Hα-helixtrans-63.4-44.5178.8-70.60000112P185 L191 A192 K193 L225P185-C189 WeakPolarHBondContact O-CB 3.32Å; P185-C189 PolarHBondContact O-N 3.36Å; P185-C189 PolarHBondContact O-SG 3Å; P185-C189 VanDerWaalsContact O-SG 3.4Å; C189-L191 VanDerWaalsContact C-N 3.34Å; C189-L191 PolarHBondContact O-N 2.86Å; C189-A192 PolarHBondContact O-N 3.44Å; C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 3.39Å; C189-L225 HydrophobicContact CB-CD2 4.09Å; C189-L225 WeakPolarHBondContact O-CD2 3.27Å
190N98.1Very high97.6Very high100 Ų10059 Ų5954%0.53530%0.301SS..Hα-helixtrans-60.4-44.1178-75.6-27.5000111.9E186 T194E186-N190 VanDerWaalsContact O-CB 3.22Å; E186-N190 WeakPolarHBondContact O-CB 3.47Å; E186-N190 PolarHBondContact O-N 2.82Å; E186-N190 PolarHBondContact O-ND2 3.04Å; N190-T194 VanDerWaalsContact O-CB 3.3Å; N190-T194 WeakPolarHBondContact O-CB 3.34Å; N190-T194 PolarHBondContact O-N 3.03Å; N190-T194 PolarHBondContact O-OG1 3.24Å
191L98.4Very high97.6Very high20 Ų2058.1 Ų58.111%0.10531%0.311CS..Hα-helixtrans-64.6-50.1177.617961.8000111.8F153 F174 Y178 K187 A188 C189 K193 T194 A195F153-L191 HydrophobicContact CE1-CD1 4.22Å; F153-L191 HydrophobicContact CE2-CD1 3.61Å; F153-L191 HydrophobicContact CZ-CD1 3.38Å; F174-L191 HydrophobicContact CB-CD2 3.83Å; F174-L191 HydrophobicContact CD1-CD2 3.77Å; F174-L191 HydrophobicContact CG-CD2 3.85Å; Y178-L191 HydrophobicContact CD2-CD2 3.98Å; Y178-L191 HydrophobicContact CE2-CD2 3.93Å; K187-L191 WeakPolarHBondContact O-CB 3.34Å; K187-L191 PolarHBondContact O-N 3.23Å; A188-L191 PolarHBondContact O-N 3Å; C189-L191 VanDerWaalsContact C-N 3.34Å; C189-L191 PolarHBondContact O-N 2.86Å; L191-K193 PolarHBondContact O-N 3.37Å; L191-T194 PolarHBondContact O-N 3.39Å; L191-A195 PolarHBondContact O-N 3.21Å
192A98.3Very high97.5Very high0 Ų060 Ų600%032%0.319CS..Hα-helixtrans-63.6-42.6-178.200000111.8A188 C189 A195 F196 L221 L225 W228A188-A192 WeakPolarHBondContact O-CB 3.36Å; A188-A192 PolarHBondContact O-N 3.34Å; C189-A192 PolarHBondContact O-N 3.44Å; A192-A195 PolarHBondContact O-N 2.87Å; A192-F196 WeakPolarHBondContact O-CB 3.37Å; A192-F196 PolarHBondContact O-N 3.41Å; A192-L221 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CD1 4.29Å; A192-L225 HydrophobicContact CB-CD2 3.85Å; A192-L225 HydrophobicContact CB-CG 3.9Å; A192-W228 HydrophobicContact CB-CZ3 4.35Å
193K98.1Very high97.2Very high109 Ų10959 Ų5947%0.47431%0.314SS..Hα-helixtrans-64-46.1177.1-175179.3-176.5-61.40111.6C189 L191 A195 F196 D197 L225C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 3.39Å; L191-K193 PolarHBondContact O-N 3.37Å; K193-A195 PolarHBondContact O-N 2.95Å; K193-F196 PolarHBondContact O-N 3.48Å; K193-D197 WeakPolarHBondContact CG-OD2 3.45Å; K193-D197 IonicContact NZ-OD2 2.8Å; K193-D197 PolarHBondContact NZ-OD2 2.97Å; K193-D197 WeakPolarHBondContact O-CB 3.19Å; K193-D197 VanDerWaalsContact O-CG 3.24Å; K193-D197 PolarHBondContact O-N 3.13Å; K193-L225 HydrophobicContact CB-CD1 4.2Å; K193-L225 HydrophobicContact CB-CD2 4.1Å
194T98.4Very high96.9Very high68 Ų6860.2 Ų60.242%0.41732%0.32SS..Hα-helixtrans-59.6-48178.2-57.50000111N190 L191 F196 D197 E198N190-T194 VanDerWaalsContact O-CB 3.3Å; N190-T194 WeakPolarHBondContact O-CB 3.34Å; N190-T194 PolarHBondContact O-N 3.03Å; N190-T194 PolarHBondContact O-OG1 3.24Å; L191-T194 PolarHBondContact O-N 3.39Å; T194-F196 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 2.93Å; T194-D197 PolarHBondContact O-N 3.07Å; T194-E198 HydrophobicContact CG2-CG 4.26Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.31Å; T194-E198 WeakPolarHBondContact O-CB 3.33Å; T194-E198 VanDerWaalsContact O-CG 3.27Å; T194-E198 WeakPolarHBondContact O-CG 3.37Å; T194-E198 PolarHBondContact O-N 3Å
195A98.3Very high96.5Very high12 Ų1263.7 Ų63.710%0.09934%0.341CS..Hα-helixtrans-63-39.217900000112.7A171 L191 A192 K193 A199 L221A171-A195 HydrophobicContact CB-CB 3.43Å; A171-A195 VanDerWaalsContact CB-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.21Å; A192-A195 PolarHBondContact O-N 2.87Å; K193-A195 PolarHBondContact O-N 2.95Å; A195-A199 VanDerWaalsContact O-CB 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.31Å; A195-A199 PolarHBondContact O-N 3.48Å; A195-A199 VanDerWaalsContact O-N 3.1Å; A195-L221 HydrophobicContact CB-CD1 4.36Å
196F98.1Very high96Very high38 Ų3864.1 Ų64.117%0.16734%0.341CS..Hα-helixtrans-66.1-48.3176.4-175.2-98.3000111.9A192 K193 T194 A199 I200 M218 L221 R222A192-F196 WeakPolarHBondContact O-CB 3.37Å; A192-F196 PolarHBondContact O-N 3.41Å; K193-F196 PolarHBondContact O-N 3.48Å; T194-F196 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 2.93Å; F196-A199 PolarHBondContact O-N 2.86Å; F196-I200 HydrophobicContact CD1-CD1 3.63Å; F196-I200 HydrophobicContact CD1-CG1 4.3Å; F196-I200 HydrophobicContact CE1-CD1 3.08Å; F196-I200 HydrophobicContact CE1-CG1 4.1Å; F196-I200 HydrophobicContact CE2-CD1 4.24Å; F196-I200 HydrophobicContact CG-CD1 4.43Å; F196-I200 HydrophobicContact CZ-CD1 3.44Å; F196-I200 VanDerWaalsContact CZ-CD1 3.44Å; F196-I200 HydrophobicContact CZ-CG1 4.27Å; F196-I200 WeakPolarHBondContact O-CB 3.18Å; F196-I200 WeakPolarHBondContact O-CG1 3.47Å; F196-I200 PolarHBondContact O-N 3.49Å; F196-M218 HydrophobicContact CD2-CB 4.03Å; F196-M218 HydrophobicContact CD2-CE 4.47Å; F196-M218 WeakPolarHBondContact CD2-O 3.47Å; F196-M218 HydrophobicContact CE2-CB 4.04Å; F196-M218 HydrophobicContact CE2-CE 4.47Å; F196-M218 WeakPolarHBondContact CE2-O 3.44Å; F196-L221 HydrophobicContact CD2-CB 4.44Å; F196-R222 HydrophobicContact CD2-CB 4.42Å; F196-R222 HydrophobicContact CE2-CB 3.87Å; F196-R222 HydrophobicContact CE2-CG 4.48Å; F196-R222 HydrophobicContact CZ-CB 4.17Å; F196-R222 HydrophobicContact CZ-CG 4.29Å
197D98.1Very high95.5Very high72 Ų7261.1 Ų61.139%0.38533%0.33SS..Hα-helixtrans-64.6-43.8-179.4-69.2-15.2000111.6K193 T194 I200 A201K193-D197 WeakPolarHBondContact CG-OD2 3.45Å; K193-D197 IonicContact NZ-OD2 2.8Å; K193-D197 PolarHBondContact NZ-OD2 2.97Å; K193-D197 WeakPolarHBondContact O-CB 3.19Å; K193-D197 VanDerWaalsContact O-CG 3.24Å; K193-D197 PolarHBondContact O-N 3.13Å; T194-D197 PolarHBondContact O-N 3.07Å; D197-I200 PolarHBondContact O-N 2.95Å; D197-A201 PolarHBondContact O-N 2.62Å; D197-A201 VanDerWaalsContact O-N 3.11Å
198E97.6Very high94.8Very high68 Ų6864.5 Ų64.532%0.31835%0.348SS..Hα-helixtrans-61.5-43.5175.5-71.9177.517500111.5P162 R167 T194 A201P162-E198 HydrophobicContact CB-CB 3.85Å; P162-E198 HydrophobicContact CG-CB 4.3Å; R167-E198 IonicContact CZ-OE2 3.6Å; R167-E198 IonicContact NH2-OE2 3.93Å; R167-E198 PolarHBondContact NH2-OE2 3.42Å; T194-E198 HydrophobicContact CG2-CG 4.26Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.31Å; T194-E198 WeakPolarHBondContact O-CB 3.33Å; T194-E198 VanDerWaalsContact O-CG 3.27Å; T194-E198 WeakPolarHBondContact O-CG 3.37Å; T194-E198 PolarHBondContact O-N 3Å; E198-A201 PolarHBondContact O-N 3.03Å
199A97.1Very high94.1Very high0 Ų072.4 Ų72.40%038%0.384CS..Hα-helixtrans-72.2-35.3179.600000113T163 L168 A195 F196 A201 E202 L203 M218T163-A199 HydrophobicContact CG2-CB 4.34Å; T163-A199 WeakPolarHBondContact CG2-O 3.34Å; L168-A199 HydrophobicContact CD1-CB 4.41Å; L168-A199 HydrophobicContact CD2-CB 3.74Å; A195-A199 VanDerWaalsContact O-CB 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.31Å; A195-A199 PolarHBondContact O-N 3.48Å; A195-A199 VanDerWaalsContact O-N 3.1Å; F196-A199 PolarHBondContact O-N 2.86Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.45Å; A199-E202 PolarHBondContact O-N 2.9Å; A199-L203 WeakPolarHBondContact O-CA 3.4Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 PolarHBondContact O-N 3.21Å; A199-M218 HydrophobicContact CB-CE 3.89Å; A199-M218 HydrophobicContact CB-CG 4.32Å; A199-M218 HydrophobicContact CB-SD 3.88Å
200I96.3Very high93.6Very high85 Ų8573.1 Ų73.144%0.43639%0.39SS..Hα-helixtrans-59.3-44.5172.6-80.8-173.5000110.6F196 D197 E202 L203 M218F196-I200 HydrophobicContact CD1-CD1 3.63Å; F196-I200 HydrophobicContact CD1-CG1 4.3Å; F196-I200 HydrophobicContact CE1-CD1 3.08Å; F196-I200 HydrophobicContact CE1-CG1 4.1Å; F196-I200 HydrophobicContact CE2-CD1 4.24Å; F196-I200 HydrophobicContact CG-CD1 4.43Å; F196-I200 HydrophobicContact CZ-CD1 3.44Å; F196-I200 VanDerWaalsContact CZ-CD1 3.44Å; F196-I200 HydrophobicContact CZ-CG1 4.27Å; F196-I200 WeakPolarHBondContact O-CB 3.18Å; F196-I200 WeakPolarHBondContact O-CG1 3.47Å; F196-I200 PolarHBondContact O-N 3.49Å; D197-I200 PolarHBondContact O-N 2.95Å; I200-E202 PolarHBondContact O-N 3.14Å; I200-E202 VanDerWaalsContact O-N 3.15Å; I200-L203 PolarHBondContact O-N 3.43Å; I200-M218 HydrophobicContact CB-CE 4.32Å; I200-M218 HydrophobicContact CG1-CE 3.41Å; I200-M218 VanDerWaalsContact CG1-CE 3.41Å
201A96.2Very high93.3Very high86 Ų8673.7 Ų73.771%0.71139%0.385SS*.Hα-helixtrans-61.5-24.1-176.600000113.3D197 E198 A199D197-A201 PolarHBondContact O-N 2.62Å; D197-A201 VanDerWaalsContact O-N 3.11Å; E198-A201 PolarHBondContact O-N 3.03Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.45Å
202E95.2Very high93Very high67 Ų6780.2 Ų80.231%0.31341%0.413SS..Hα-helixtrans-116.35.6-177.2-64.9-175.4-157.800113.3P162 T163 A199 I200 D204 T205P162-E202 WeakPolarHBondContact CD-OE2 3.37Å; T163-E202 HydrophobicContact CG2-CB 3.84Å; A199-E202 PolarHBondContact O-N 2.9Å; I200-E202 PolarHBondContact O-N 3.14Å; I200-E202 VanDerWaalsContact O-N 3.15Å; E202-D204 VanDerWaalsContact C-N 3.26Å; E202-D204 PolarHBondContact O-N 2.98Å; E202-T205 WeakPolarHBondContact O-CB 3.14Å; E202-T205 PolarHBondContact O-N 2.85Å; E202-T205 PolarHBondContact O-OG1 3.47Å
203L92.1Very high92.8Very high29 Ų2984.4 Ų84.415%0.15244%0.435CS..G310 helixtrans-60.5-35.9-171-169.565.2000113A199 I200 T205 L206 Y211 T215 M218A199-L203 WeakPolarHBondContact O-CA 3.4Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 PolarHBondContact O-N 3.21Å; I200-L203 PolarHBondContact O-N 3.43Å; L203-T205 PolarHBondContact O-N 2.89Å; L203-T205 VanDerWaalsContact O-N 3.1Å; L203-L206 HydrophobicContact CD1-CD1 3.73Å; L203-L206 WeakPolarHBondContact O-CB 3.42Å; L203-L206 PolarHBondContact O-N 3.37Å; L203-Y211 HydrophobicContact CD1-CE2 4.44Å; L203-Y211 HydrophobicContact CG-CE2 4.15Å; L203-T215 HydrophobicContact CD1-CG2 4.15Å; L203-T215 HydrophobicContact CD2-CG2 4.37Å; L203-M218 HydrophobicContact CD1-CE 4.32Å; L203-M218 HydrophobicContact CD1-SD 3.76Å; L203-M218 HydrophobicContact CD2-CE 4.37Å
204D90.4Very high92.7Very high163 Ų16379.2 Ų79.287%0.87241%0.413SS*.G310 helixtrans-66-10.2179.6-66.2-24.9000113.3E202E202-D204 VanDerWaalsContact C-N 3.26Å; E202-D204 PolarHBondContact O-N 2.98Å
205T87.6Confident92.6Very high105 Ų10578.1 Ų78.164%0.64441%0.406SS*.G310 helixtrans-90.1-9.3178.6720000113.7E202 L203E202-T205 WeakPolarHBondContact O-CB 3.14Å; E202-T205 PolarHBondContact O-N 2.85Å; E202-T205 PolarHBondContact O-OG1 3.47Å; L203-T205 PolarHBondContact O-N 2.89Å; L203-T205 VanDerWaalsContact O-N 3.1Å
206L86.8Confident92.6Very high37 Ų3782.5 Ų82.519%0.19443%0.427CS..  trans-71.6146-176.2-79.2-177.3000112.9T163 L203 Y211T163-L206 HydrophobicContact CG2-CD1 4.36Å; T163-L206 HydrophobicContact CG2-CD2 4.47Å; T163-L206 HydrophobicContact CG2-CG 4.16Å; T163-L206 WeakPolarHBondContact OG1-CD2 3.33Å; L203-L206 HydrophobicContact CD1-CD1 3.73Å; L203-L206 WeakPolarHBondContact O-CB 3.42Å; L203-L206 PolarHBondContact O-N 3.37Å; L206-Y211 HydrophobicContact CB-CD2 4.23Å; L206-Y211 HydrophobicContact CD1-CD2 4.45Å
207N86.5Confident92.6Very high89 Ų8982 Ų8248%0.47643%0.426SS..  trans-77.3162.4165.666.324.3000111.3E209 S210 Y211N207-E209 PolarHBondContact O-N 3.36Å; N207-E209 PolarHBondContact OD1-N 3.3Å; N207-S210 PolarHBondContact O-N 3.01Å; N207-S210 WeakPolarHBondContact OD1-CB 3.35Å; N207-S210 PolarHBondContact OD1-N 3.16Å; N207-S210 PolarHBondContact OD1-OG 3.3Å; N207-Y211 WeakPolarHBondContact O-CB 3.3Å; N207-Y211 PolarHBondContact O-N 3.4Å
208E83.9Confident92.6Very high187 Ų18779 Ų7987%0.87441%0.41SS*.Hα-helixtrans-59.4-33.3-178.7-67.5-176.1175.300113.2
209E82.5Confident92.6Very high166 Ų16678.8 Ų78.878%0.77641%0.409SS*.Hα-helixtrans-64.8-45.6-177.6-173.9177.7-171.700112N207N207-E209 PolarHBondContact O-N 3.36Å; N207-E209 PolarHBondContact OD1-N 3.3Å
210S88.2Confident92.6Very high35 Ų3582.4 Ų82.425%0.24543%0.428CS..Hα-helixtrans-84.4-23.2-179.6-59.90000113N207 K212 D213 S214N207-S210 PolarHBondContact O-N 3.01Å; N207-S210 WeakPolarHBondContact OD1-CB 3.35Å; N207-S210 PolarHBondContact OD1-N 3.16Å; N207-S210 PolarHBondContact OD1-OG 3.3Å; S210-K212 VanDerWaalsContact C-N 3.32Å; S210-K212 PolarHBondContact O-N 3.45Å; S210-D213 PolarHBondContact O-N 3.17Å; S210-S214 WeakPolarHBondContact O-CB 3.2Å; S210-S214 PolarHBondContact O-N 3.12Å; S210-S214 PolarHBondContact O-OG 2.64Å
211Y91.1Very high92.7Very high112 Ų11278.4 Ų78.444%0.43941%0.407SS..Hα-helixtrans-55.3-45.4-173.8-170.5-90.4000112.6L203 L206 N207 T215L203-Y211 HydrophobicContact CD1-CE2 4.44Å; L203-Y211 HydrophobicContact CG-CE2 4.15Å; L206-Y211 HydrophobicContact CB-CD2 4.23Å; L206-Y211 HydrophobicContact CD1-CD2 4.45Å; N207-Y211 WeakPolarHBondContact O-CB 3.3Å; N207-Y211 PolarHBondContact O-N 3.4Å; Y211-T215 HydrophobicContact CD1-CG2 4.06Å; Y211-T215 HydrophobicContact CE1-CG2 3.77Å; Y211-T215 HydrophobicContact CE2-CG2 4.3Å; Y211-T215 HydrophobicContact CG-CG2 4.45Å; Y211-T215 WeakPolarHBondContact O-CB 3.24Å; Y211-T215 VanDerWaalsContact O-CG2 3.25Å; Y211-T215 WeakPolarHBondContact O-CG2 3.46Å; Y211-T215 PolarHBondContact O-N 3.19Å; Y211-T215 PolarHBondContact O-OG1 2.77Å
212K93.2Very high92.8Very high157 Ų15779.8 Ų79.868%0.68339%0.394SS*.Hα-helixtrans-64.2-45.7-178.2-176-176.4173.8-1720112.3S210 T215 L216S210-K212 VanDerWaalsContact C-N 3.32Å; S210-K212 PolarHBondContact O-N 3.45Å; K212-T215 PolarHBondContact O-OG1 2.68Å; K212-L216 WeakPolarHBondContact O-CB 3.42Å; K212-L216 PolarHBondContact O-N 2.7Å; K212-L216 VanDerWaalsContact O-N 3.16Å
213D93.7Very high92.9Very high88 Ų8879.8 Ų79.847%0.47140%0.396SS..Hα-helixtrans-71.8-43.1-177-71.8-13000111.1P165 S210 L216 I217P165-D213 HydrophobicContact CB-CB 4.15Å; P165-D213 HydrophobicContact CG-CB 4.05Å; S210-D213 PolarHBondContact O-N 3.17Å; D213-L216 PolarHBondContact O-N 3.36Å; D213-I217 VanDerWaalsContact O-CG1 3.3Å; D213-I217 WeakPolarHBondContact O-CG1 3.42Å; D213-I217 PolarHBondContact O-N 2.9Å; D213-I217 VanDerWaalsContact O-N 3.1Å
214S96.1Very high93.2Very high0 Ų080.1 Ų80.10%040%0.398CS..Hα-helixtrans-63-45.8177.6-62.50000112.2T163 P165 S210 L216 I217 M218T163-S214 WeakPolarHBondContact O-CB 3.42Å; T163-S214 PolarHBondContact O-OG 2.82Å; P165-S214 WeakPolarHBondContact CD-OG 3.42Å; P165-S214 WeakPolarHBondContact CG-OG 3.18Å; S210-S214 WeakPolarHBondContact O-CB 3.2Å; S210-S214 PolarHBondContact O-N 3.12Å; S210-S214 PolarHBondContact O-OG 2.64Å; S214-L216 VanDerWaalsContact C-N 3.35Å; S214-L216 PolarHBondContact O-N 2.86Å; S214-I217 PolarHBondContact O-N 3.04Å; S214-M218 WeakPolarHBondContact O-CB 3.41Å; S214-M218 VanDerWaalsContact O-CG 3.24Å; S214-M218 WeakPolarHBondContact O-CG 3.47Å; S214-M218 PolarHBondContact O-N 3.34Å
215T96.4Very high93.5Very high44 Ų4473.6 Ų73.627%0.2736%0.363SS..Hα-helixtrans-65.6-36.2179.251.70000112.6L203 Y211 K212 M218 Q219L203-T215 HydrophobicContact CD1-CG2 4.15Å; L203-T215 HydrophobicContact CD2-CG2 4.37Å; Y211-T215 HydrophobicContact CD1-CG2 4.06Å; Y211-T215 HydrophobicContact CE1-CG2 3.77Å; Y211-T215 HydrophobicContact CE2-CG2 4.3Å; Y211-T215 HydrophobicContact CG-CG2 4.45Å; Y211-T215 WeakPolarHBondContact O-CB 3.24Å; Y211-T215 VanDerWaalsContact O-CG2 3.25Å; Y211-T215 WeakPolarHBondContact O-CG2 3.46Å; Y211-T215 PolarHBondContact O-N 3.19Å; Y211-T215 PolarHBondContact O-OG1 2.77Å; K212-T215 PolarHBondContact O-OG1 2.68Å; T215-M218 PolarHBondContact O-N 3.13Å; T215-Q219 WeakPolarHBondContact O-CB 3.23Å; T215-Q219 PolarHBondContact O-N 2.98Å
216L96.8Very high93.9Very high104 Ų10472.6 Ų72.655%0.54536%0.357SS..Hα-helixtrans-62-42.7173178.761.9000111.6K212 D213 S214 Q219 L220K212-L216 WeakPolarHBondContact O-CB 3.42Å; K212-L216 PolarHBondContact O-N 2.7Å; K212-L216 VanDerWaalsContact O-N 3.16Å; D213-L216 PolarHBondContact O-N 3.36Å; S214-L216 VanDerWaalsContact C-N 3.35Å; S214-L216 PolarHBondContact O-N 2.86Å; L216-Q219 WeakPolarHBondContact O-CB 3.42Å; L216-Q219 PolarHBondContact O-N 3.34Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 3.13Å
217I97.9Very high94.3Very high28 Ų2874.9 Ų74.914%0.14437%0.369CS..Hα-helixtrans-70.8-39.8178.9-60.9165000111.2P165 L168 L172 D213 S214 Q219 L220 L221P165-I217 HydrophobicContact CB-CD1 4.1Å; P165-I217 VanDerWaalsContact O-CD1 3.26Å; P165-I217 WeakPolarHBondContact O-CD1 3.16Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.45Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L172-I217 HydrophobicContact CB-CG2 4.31Å; L172-I217 HydrophobicContact CD2-CG2 4.2Å; D213-I217 VanDerWaalsContact O-CG1 3.3Å; D213-I217 WeakPolarHBondContact O-CG1 3.42Å; D213-I217 PolarHBondContact O-N 2.9Å; D213-I217 VanDerWaalsContact O-N 3.1Å; S214-I217 PolarHBondContact O-N 3.04Å; I217-Q219 VanDerWaalsContact C-N 3.27Å; I217-Q219 PolarHBondContact O-N 3.35Å; I217-L220 WeakPolarHBondContact O-CB 3.38Å; I217-L220 PolarHBondContact O-N 3.17Å; I217-L220 VanDerWaalsContact O-N 3.16Å; I217-L221 PolarHBondContact O-N 3.45Å
218M98Very high94.8Very high9 Ų971 Ų714%0.04435%0.347CS..Hα-helixtrans-60.6-38.2174.2-70.9170.372.800111.8L168 F196 A199 I200 L203 S214 T215 L221 R222L168-M218 HydrophobicContact CD1-CG 3.95Å; L168-M218 HydrophobicContact CD1-SD 4.38Å; L168-M218 HydrophobicContact CD2-CG 4.07Å; F196-M218 HydrophobicContact CD2-CB 4.03Å; F196-M218 HydrophobicContact CD2-CE 4.47Å; F196-M218 WeakPolarHBondContact CD2-O 3.47Å; F196-M218 HydrophobicContact CE2-CB 4.04Å; F196-M218 HydrophobicContact CE2-CE 4.47Å; F196-M218 WeakPolarHBondContact CE2-O 3.44Å; A199-M218 HydrophobicContact CB-CE 3.89Å; A199-M218 HydrophobicContact CB-CG 4.32Å; A199-M218 HydrophobicContact CB-SD 3.88Å; I200-M218 HydrophobicContact CB-CE 4.32Å; I200-M218 HydrophobicContact CG1-CE 3.41Å; I200-M218 VanDerWaalsContact CG1-CE 3.41Å; L203-M218 HydrophobicContact CD1-CE 4.32Å; L203-M218 HydrophobicContact CD1-SD 3.76Å; L203-M218 HydrophobicContact CD2-CE 4.37Å; S214-M218 WeakPolarHBondContact O-CB 3.41Å; S214-M218 VanDerWaalsContact O-CG 3.24Å; S214-M218 WeakPolarHBondContact O-CG 3.47Å; S214-M218 PolarHBondContact O-N 3.34Å; T215-M218 PolarHBondContact O-N 3.13Å; M218-L221 WeakPolarHBondContact O-CB 3.38Å; M218-L221 PolarHBondContact O-N 2.91Å; M218-R222 PolarHBondContact O-N 3.19Å
219Q98Very high95.1Very high64 Ų6465 Ų6530%0.29932%0.323SS..Hα-helixtrans-60-46.3173.3177.755.33900111.4T215 L216 I217 L221 R222 D223T215-Q219 WeakPolarHBondContact O-CB 3.23Å; T215-Q219 PolarHBondContact O-N 2.98Å; L216-Q219 WeakPolarHBondContact O-CB 3.42Å; L216-Q219 PolarHBondContact O-N 3.34Å; I217-Q219 VanDerWaalsContact C-N 3.27Å; I217-Q219 PolarHBondContact O-N 3.35Å; Q219-L221 PolarHBondContact O-N 3.5Å; Q219-R222 WeakPolarHBondContact O-CB 3.01Å; Q219-R222 PolarHBondContact O-N 3.3Å; Q219-D223 PolarHBondContact NE2-OD1 3.07Å; Q219-D223 PolarHBondContact NE2-OD2 3.13Å; Q219-D223 PolarHBondContact O-N 3.31Å
220L98.4Very high95.5Very high76 Ų7660.2 Ų60.240%0.39831%0.308SS..Hα-helixtrans-63.1-39.6176.6-65.5171.9000112.6L172 L216 I217 R222 D223 N224L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.93Å; L172-L220 HydrophobicContact CD2-CD1 3.92Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 3.13Å; I217-L220 WeakPolarHBondContact O-CB 3.38Å; I217-L220 PolarHBondContact O-N 3.17Å; I217-L220 VanDerWaalsContact O-N 3.16Å; L220-R222 VanDerWaalsContact C-N 3.35Å; L220-D223 PolarHBondContact O-N 3.04Å; L220-N224 PolarHBondContact O-N 3.44Å
221L98.4Very high95.3Very high0 Ų062.6 Ų62.60%032%0.316CS..Hα-helixtrans-59.4-45.9174-77.9167.9000111.4L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225L168-L221 HydrophobicContact CD2-CD1 3.95Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.25Å; L172-L221 HydrophobicContact CD1-CD2 3.95Å; L172-L221 HydrophobicContact CD1-CG 4.17Å; A192-L221 HydrophobicContact CB-CD2 3.84Å; A195-L221 HydrophobicContact CB-CD1 4.36Å; F196-L221 HydrophobicContact CD2-CB 4.44Å; I217-L221 PolarHBondContact O-N 3.45Å; M218-L221 WeakPolarHBondContact O-CB 3.38Å; M218-L221 PolarHBondContact O-N 2.91Å; Q219-L221 PolarHBondContact O-N 3.5Å; L221-N224 PolarHBondContact O-N 3.05Å; L221-L225 WeakPolarHBondContact O-CG 3.33Å; L221-L225 PolarHBondContact O-N 3.43Å
222R97.8Very high94.7Very high116 Ų11660.1 Ų60.144%0.43831%0.31SS..Hα-helixtrans-63.1-41177.4-171.7-172.173.8-172.16.1112.4F196 M218 Q219 L220 L225 T226F196-R222 HydrophobicContact CD2-CB 4.42Å; F196-R222 HydrophobicContact CE2-CB 3.87Å; F196-R222 HydrophobicContact CE2-CG 4.48Å; F196-R222 HydrophobicContact CZ-CB 4.17Å; F196-R222 HydrophobicContact CZ-CG 4.29Å; M218-R222 PolarHBondContact O-N 3.19Å; Q219-R222 WeakPolarHBondContact O-CB 3.01Å; Q219-R222 PolarHBondContact O-N 3.3Å; L220-R222 VanDerWaalsContact C-N 3.35Å; R222-L225 PolarHBondContact O-N 3.01Å; R222-T226 PolarHBondContact O-N 3.37Å; R222-T226 PolarHBondContact O-OG1 3.44Å
223D98Very high93.6Very high67 Ų6759.1 Ų59.136%0.35831%0.308SS..Hα-helixtrans-66.9-41.7-179.2-65.2-13.2000110.7Q219 L220 T226 L227Q219-D223 PolarHBondContact NE2-OD1 3.07Å; Q219-D223 PolarHBondContact NE2-OD2 3.13Å; Q219-D223 PolarHBondContact O-N 3.31Å; L220-D223 PolarHBondContact O-N 3.04Å; D223-T226 PolarHBondContact O-N 3.26Å; D223-L227 PolarHBondContact O-N 3.03Å
224N97.1Very high91.9Very high35 Ų3557.3 Ų57.319%0.18731%0.31CS..Hα-helixtrans-60.8-46.2171.9-78.40.8000112.4L172 L220 L221 T226 L227 W228L172-N224 VanDerWaalsContact CD1-ND2 3.32Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.28Å; L220-N224 PolarHBondContact O-N 3.44Å; L221-N224 PolarHBondContact O-N 3.05Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 2.94Å; N224-L227 PolarHBondContact O-N 3.24Å; N224-W228 HydrophobicContact CB-CD2 4.2Å; N224-W228 HydrophobicContact CB-CE3 4.09Å; N224-W228 HydrophobicContact CB-CH2 3.68Å; N224-W228 HydrophobicContact CB-CZ2 3.78Å; N224-W228 HydrophobicContact CB-CZ3 3.83Å; N224-W228 WeakPolarHBondContact O-CB 3.47Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.04Å
225L97.1Very high89.9Confident26 Ų2664 Ų6414%0.13635%0.346CS..Hα-helixtrans-57.3-42.7176.2-76.9167.4000111.7C189 A192 K193 L221 R222 T229C189-L225 HydrophobicContact CB-CD2 4.09Å; C189-L225 WeakPolarHBondContact O-CD2 3.27Å; A192-L225 HydrophobicContact CB-CD1 4.29Å; A192-L225 HydrophobicContact CB-CD2 3.85Å; A192-L225 HydrophobicContact CB-CG 3.9Å; K193-L225 HydrophobicContact CB-CD1 4.2Å; K193-L225 HydrophobicContact CB-CD2 4.1Å; L221-L225 WeakPolarHBondContact O-CG 3.33Å; L221-L225 PolarHBondContact O-N 3.43Å; R222-L225 PolarHBondContact O-N 3.01Å; L225-T229 VanDerWaalsContact O-CB 3.31Å; L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 WeakPolarHBondContact O-CG2 3.27Å; L225-T229 PolarHBondContact O-N 2.89Å; L225-T229 PolarHBondContact O-OG1 3.28Å
226T96.4Very high87.6Confident85 Ų8569.6 Ų69.652%0.52137%0.369SS..Hα-helixtrans-64-46.2178.7-55.10000111R222 D223 N224 T229 S230R222-T226 PolarHBondContact O-N 3.37Å; R222-T226 PolarHBondContact O-OG1 3.44Å; D223-T226 PolarHBondContact O-N 3.26Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 2.94Å; T226-T229 PolarHBondContact O-OG1 2.95Å; T226-S230 WeakPolarHBondContact O-CB 3.4Å; T226-S230 PolarHBondContact O-N 3.46Å; T226-S230 VanDerWaalsContact O-N 3.16Å; T226-S230 PolarHBondContact O-OG 3.15Å
227L95.4Very high85Confident84 Ų8467.5 Ų67.544%0.4437%0.373SS..Hα-helixtrans-59.8-56.4178.1-179.565000111.2D223 N224 T229 S230 E231D223-L227 PolarHBondContact O-N 3.03Å; N224-L227 PolarHBondContact O-N 3.24Å; L227-T229 PolarHBondContact O-N 3.47Å; L227-S230 PolarHBondContact O-N 2.85Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-S230 PolarHBondContact O-OG 3.46Å; L227-E231 HydrophobicContact CD1-CG 4.48Å; L227-E231 PolarHBondContact O-N 3.33Å
228W95.9Very high82.3Confident8 Ų873.9 Ų73.93%0.0341%0.407CS..Hα-helixtrans-67.3-33.7-173.7-57.7-27.2000113.2S175 V176 Y179 A188 A192 N224 S230 N232S175-W228 WeakPolarHBondContact OG-CH2 3.38Å; V176-W228 HydrophobicContact CG2-CH2 4.04Å; V176-W228 HydrophobicContact CG2-CZ2 4.01Å; Y179-W228 AromaticContact CD1-CD1 3.77Å; Y179-W228 AromaticContact CD1-CE2 3.93Å; Y179-W228 HydrophobicContact CD1-CG 4.47Å; Y179-W228 HydrophobicContact CD1-CZ2 4.48Å; Y179-W228 AromaticContact CD1-NE1 3.39Å; Y179-W228 HydrophobicContact CD2-CB 4.1Å; Y179-W228 AromaticContact CD2-CD1 3.63Å; Y179-W228 AromaticContact CD2-CD2 3.71Å; Y179-W228 HydrophobicContact CD2-CD2 3.71Å; Y179-W228 AromaticContact CD2-CE2 3.86Å; Y179-W228 HydrophobicContact CD2-CE3 4.38Å; Y179-W228 AromaticContact CD2-CG 3.56Å; Y179-W228 HydrophobicContact CD2-CG 3.56Å; Y179-W228 AromaticContact CD2-NE1 3.8Å; Y179-W228 AromaticContact CE1-CD1 3.44Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.44Å; Y179-W228 HydrophobicContact CE1-CG 4.32Å; Y179-W228 AromaticContact CE1-NE1 3.49Å; Y179-W228 HydrophobicContact CE2-CB 3.64Å; Y179-W228 AromaticContact CE2-CD1 3.33Å; Y179-W228 HydrophobicContact CE2-CD2 4.08Å; Y179-W228 AromaticContact CE2-CG 3.4Å; Y179-W228 HydrophobicContact CE2-CG 3.4Å; Y179-W228 VanDerWaalsContact CE2-CG 3.4Å; Y179-W228 AromaticContact CE2-NE1 3.93Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 AromaticContact CG-CD2 4Å; Y179-W228 HydrophobicContact CG-CD2 4Å; Y179-W228 AromaticContact CG-CE2 3.64Å; Y179-W228 HydrophobicContact CG-CG 4.12Å; Y179-W228 HydrophobicContact CG-CZ2 4.11Å; Y179-W228 AromaticContact CG-NE1 3.55Å; Y179-W228 AromaticContact CZ-CD1 3.22Å; Y179-W228 AromaticContact CZ-CG 3.81Å; Y179-W228 AromaticContact CZ-NE1 3.78Å; A188-W228 HydrophobicContact CB-CE3 4.11Å; A188-W228 HydrophobicContact CB-CZ3 3.93Å; A192-W228 HydrophobicContact CB-CZ3 4.35Å; N224-W228 HydrophobicContact CB-CD2 4.2Å; N224-W228 HydrophobicContact CB-CE3 4.09Å; N224-W228 HydrophobicContact CB-CH2 3.68Å; N224-W228 HydrophobicContact CB-CZ2 3.78Å; N224-W228 HydrophobicContact CB-CZ3 3.83Å; N224-W228 WeakPolarHBondContact O-CB 3.47Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.04Å; W228-S230 VanDerWaalsContact C-N 3.35Å; W228-N232 WeakPolarHBondContact O-CB 3.36Å; W228-N232 PolarHBondContact O-N 3.13Å; W228-N232 VanDerWaalsContact O-N 3.14Å; W228-N232 PolarHBondContact O-OD1 2.95Å
229T91.7Very high79.6Confident60 Ų6078.1 Ų78.137%0.36844%0.443SS..Hα-helixtrans-72.4-29.2175.254.40000112.8L225 T226 L227 Q233L225-T229 VanDerWaalsContact O-CB 3.31Å; L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 WeakPolarHBondContact O-CG2 3.27Å; L225-T229 PolarHBondContact O-N 2.89Å; L225-T229 PolarHBondContact O-OG1 3.28Å; T226-T229 PolarHBondContact O-OG1 2.95Å; L227-T229 PolarHBondContact O-N 3.47Å; T229-Q233 WeakPolarHBondContact O-CG 3.45Å; T229-Q233 PolarHBondContact O-N 2.98Å; T229-Q233 PolarHBondContact O-NE2 2.84Å
230S90.3Very high76.6Confident66 Ų6677.9 Ų77.946%0.46246%0.458SS..Hα-helixtrans-74-38.8174.272.60000112.8T226 L227 W228 Q233 G234T226-S230 WeakPolarHBondContact O-CB 3.4Å; T226-S230 PolarHBondContact O-N 3.46Å; T226-S230 VanDerWaalsContact O-N 3.16Å; T226-S230 PolarHBondContact O-OG 3.15Å; L227-S230 PolarHBondContact O-N 2.85Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-S230 PolarHBondContact O-OG 3.46Å; W228-S230 VanDerWaalsContact C-N 3.35Å; S230-Q233 PolarHBondContact O-N 3.46Å; S230-G234 PolarHBondContact O-N 3.27Å
231E84.3Confident73.8Confident86 Ų8684 Ų8440%0.40249%0.485SS..Hα-helixtrans-65.9-43.4176.9-70.9178.9169.200110.8Y179 L227 Q233 G234 D235Y179-E231 PolarHBondContact OH-OE2 3.46Å; L227-E231 HydrophobicContact CD1-CG 4.48Å; L227-E231 PolarHBondContact O-N 3.33Å; E231-Q233 VanDerWaalsContact C-N 3.35Å; E231-Q233 PolarHBondContact O-N 3.04Å; E231-G234 PolarHBondContact O-N 2.92Å; E231-D235 PolarHBondContact O-N 3.41Å
232N76.9Confident70.7Confident59 Ų5987.7 Ų87.732%0.31652%0.522SS..Hα-helixtrans-65.8-31.2177.2-79.733.5000114W228W228-N232 WeakPolarHBondContact O-CB 3.36Å; W228-N232 PolarHBondContact O-N 3.13Å; W228-N232 VanDerWaalsContact O-N 3.14Å; W228-N232 PolarHBondContact O-OD1 2.95Å
233Q71.1Confident68Low136 Ų13691.3 Ų91.364%0.63654%0.544SS*.Hα-helixtrans-75-28.1175.9-75.8172.84500112.5T229 S230 E231 G237T229-Q233 WeakPolarHBondContact O-CG 3.45Å; T229-Q233 PolarHBondContact O-N 2.98Å; T229-Q233 PolarHBondContact O-NE2 2.84Å; S230-Q233 PolarHBondContact O-N 3.46Å; E231-Q233 VanDerWaalsContact C-N 3.35Å; E231-Q233 PolarHBondContact O-N 3.04Å; Q233-G237 PolarHBondContact O-N 2.92Å
234G57.7Low65.2Low51 Ų5199.8 Ų99.853%0.52659%0.589SS.*Hα-helixtrans-66.5-37.4175.600000112.8S230 E231 G237S230-G234 PolarHBondContact O-N 3.27Å; E231-G234 PolarHBondContact O-N 2.92Å; G234-G237 PolarHBondContact O-N 2.84Å
235D53.4Low63.7Low141 Ų141103 Ų10375%0.75461%0.609SS**Hα-helixtrans-74-24.5179-76.1-15.5000113.2E231 G237E231-D235 PolarHBondContact O-N 3.41Å; D235-G237 VanDerWaalsContact C-N 3.33Å
236E48.5Very low61.9Low161 Ų161107.1 Ų107.175%0.75263%0.634SS**Hα-helixtrans-77.9-17.6172.3-71.3-174.7171.100113
237G41.6Very low60Low60 Ų60108.3 Ų108.362%0.61964%0.641SS**G310 helixtrans-78.6-16.4-176.500000115.7Q233 G234 D235Q233-G237 PolarHBondContact O-N 2.92Å; G234-G237 PolarHBondContact O-N 2.84Å; D235-G237 VanDerWaalsContact C-N 3.33Å
238D42Very low57.9Low162 Ų162109.7 Ų109.787%0.86665%0.653SS**G310 helixtrans-97.610.5-177-140.714000113.5
239A41.1Very low55.5Low97 Ų97116.1 Ų116.180%0.80269%0.691SS**G310 helixtrans-101.618.5174.100000113.5
240G34.6Very low53.1Low59 Ų59119.8 Ų119.861%0.60871%0.713SS**  trans-136.233.9-16100000117.8
241E39.9Very low50.4Low206 Ų206123.6 Ų123.696%0.96373%0.731SS**  trans-131.873.4159-74-166.1-17900110.8
242G33.4Very low47.8Very low76 Ų76126.5 Ų126.578%0.78476%0.756SS**  trans-109.798.215300000108.7
243E41.8Very low45.4Very low193 Ų193132.2 Ų132.290%0.90279%0.793SS**  trans-136.4108.8156-75.4-163.5160.500109.5
244N39.9Very low43.1Very low244 Ų244131.8 Ų131.8100%1.30581%0.807SS**  trans14.40156.5-64.4-31.3000120

Retrieved 244 of 244 residues in 768 ms (Link to these results)

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