A0A087WQM2_MOUSE Loading...

Phosphoinositide-3-kinase regulatory subunit 1

AlphaFold DB , UniProt , Accession A0A087WQM2, Species MOUSE (Mus musculus, Mouse), Gene Pik3r1, Length 174 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
1M49.4Very low78.7Confident177 Ų17792.3 Ų92.387%0.87248%0.479SS*.  0134.70-73.6174176.200107.4N3M1-N3 PolarHBondContact O-N 3.05Å
2N51.5Low80.2Confident133 Ų13385.2 Ų85.271%0.71144%0.442SS*.  trans-71.4105.8-166.5-87.6-12.5000112.4N4N2-N4 PolarHBondContact O-N 3.36Å
3N59.4Low81.4Confident99 Ų9979.3 Ų79.353%0.52941%0.41SS..THydrogen-bonded Turntrans-71.5-2.7170.3-71.4-12.3000113.5M1M1-N3 PolarHBondContact O-N 3.05Å
4N68.8Low82.5Confident162 Ų16277.3 Ų77.387%0.86640%0.395SS*.THydrogen-bonded Turntrans-93.37.2178.5-76.4-4000114N2N2-N4 PolarHBondContact O-N 3.36Å
5M82.2Confident83.2Confident95 Ų9573 Ų7347%0.46838%0.377SS..  trans-74.1134177-177.8174.1-87.100110.1D9 V81M5-D9 HydrophobicContact CG-CB 4.16Å; M5-V81 HydrophobicContact CB-CG1 4.4Å
6S90.2Very high83.8Confident50 Ų5077.3 Ų77.335%0.3540%0.401SS..  trans-70.2151.4174.191.30000110.1Q8 D9 A10S6-Q8 PolarHBondContact O-N 2.92Å; S6-Q8 PolarHBondContact OG-N 3.31Å; S6-D9 WeakPolarHBondContact CB-OD2 3.07Å; S6-D9 PolarHBondContact O-N 2.96Å; S6-D9 VanDerWaalsContact O-N 3.15Å; S6-D9 PolarHBondContact OG-N 3.18Å; S6-D9 PolarHBondContact OG-OD2 3.39Å; S6-A10 PolarHBondContact O-N 3.47Å
7L91.3Very high84.4Confident30 Ų3073.8 Ų73.816%0.15738%0.383CS..G310 helixtrans-58.5-34.7175.3179.461000111.7D9 A10 W12 Y13 Y47 V80 V81L7-D9 VanDerWaalsContact C-N 3.27Å; L7-D9 PolarHBondContact O-N 2.72Å; L7-A10 WeakPolarHBondContact O-CB 3.44Å; L7-A10 PolarHBondContact O-N 2.99Å; L7-W12 HydrophobicContact CD1-CH2 3.74Å; L7-W12 HydrophobicContact CD1-CZ3 3.81Å; L7-Y13 HydrophobicContact CD1-CD1 4.38Å; L7-Y13 HydrophobicContact CD1-CD2 3.93Å; L7-Y13 HydrophobicContact CD1-CG 3.83Å; L7-Y13 HydrophobicContact CD2-CD2 4.38Å; L7-Y13 HydrophobicContact CD2-CE2 4.18Å; L7-Y13 HydrophobicContact CG-CD1 3.99Å; L7-Y13 HydrophobicContact CG-CD2 4.1Å; L7-Y13 HydrophobicContact CG-CE1 4.19Å; L7-Y13 HydrophobicContact CG-CE2 4.31Å; L7-Y13 HydrophobicContact CG-CG 3.92Å; L7-Y13 WeakPolarHBondContact O-CB 3.39Å; L7-Y13 VanDerWaalsContact O-CD1 3.28Å; L7-Y13 WeakPolarHBondContact O-CD1 3.17Å; L7-Y47 HydrophobicContact CD2-CD1 4.42Å; L7-Y47 HydrophobicContact CD2-CE1 3.64Å; L7-Y47 HydrophobicContact CD2-CE2 4.06Å; L7-Y47 VanDerWaalsContact CD2-CZ 3.42Å; L7-Y47 WeakPolarHBondContact CD2-OH 3.25Å; L7-V80 HydrophobicContact CD1-CB 4.04Å; L7-V80 HydrophobicContact CD1-CG1 4.02Å; L7-V80 HydrophobicContact CD2-CB 4.5Å; L7-V80 HydrophobicContact CD2-CG2 4.44Å; L7-V81 HydrophobicContact CB-CG2 4.47Å; L7-V81 HydrophobicContact CD1-CG2 4.42Å
8Q91.3Very high84.8Confident112 Ų11272.1 Ų72.152%0.52338%0.379SS..G310 helixtrans-68.8-25.8-179.2-63.1-60.6-23.200112.6S6 K109S6-Q8 PolarHBondContact O-N 2.92Å; S6-Q8 PolarHBondContact OG-N 3.31Å; Q8-K109 PolarHBondContact O-NZ 3.08Å
9D92.2Very high85.2Confident91 Ų9175.2 Ų75.249%0.48739%0.385SS..G310 helixtrans-90.8-5.7177.8-55.8-45.5000112.6M5 S6 L7 E11 Y110M5-D9 HydrophobicContact CG-CB 4.16Å; S6-D9 WeakPolarHBondContact CB-OD2 3.07Å; S6-D9 PolarHBondContact O-N 2.96Å; S6-D9 VanDerWaalsContact O-N 3.15Å; S6-D9 PolarHBondContact OG-N 3.18Å; S6-D9 PolarHBondContact OG-OD2 3.39Å; L7-D9 VanDerWaalsContact C-N 3.27Å; L7-D9 PolarHBondContact O-N 2.72Å; D9-E11 PolarHBondContact O-N 3.24Å; D9-Y110 PolarHBondContact O-OH 3.22Å
10A94.4Very high85.7Confident0 Ų077.5 Ų77.50%039%0.394CS..  trans-69125.6-179.900000110.9S6 L7 W12 Y13S6-A10 PolarHBondContact O-N 3.47Å; L7-A10 WeakPolarHBondContact O-CB 3.44Å; L7-A10 PolarHBondContact O-N 2.99Å; A10-W12 HydrophobicContact CB-CD2 4.11Å; A10-W12 HydrophobicContact CB-CE3 4.45Å; A10-W12 HydrophobicContact CB-CH2 4.09Å; A10-W12 HydrophobicContact CB-CZ2 3.72Å; A10-W12 HydrophobicContact CB-CZ3 4.44Å; A10-W12 PolarHBondContact O-N 3.36Å; A10-W12 VanDerWaalsContact O-N 3.15Å; A10-Y13 PolarHBondContact O-N 3.41Å; A10-Y13 VanDerWaalsContact O-N 3.08Å
11E95.2Very high86.1Confident66 Ų6677.6 Ų77.631%0.30839%0.393SS..THydrogen-bonded Turntrans-56.6-33-178.364.3-179.815900113.5D9 R88 P106 S108 K109 Y110D9-E11 PolarHBondContact O-N 3.24Å; E11-R88 IonicContact OE1-NH1 3.99Å; E11-R88 PolarHBondContact OE1-NH1 2.98Å; E11-P106 HydrophobicContact CG-CB 4.16Å; E11-P106 HydrophobicContact CG-CG 4.4Å; E11-P106 VanDerWaalsContact OE1-CG 3.28Å; E11-P106 WeakPolarHBondContact OE1-CG 3.35Å; E11-S108 CarbonylContact O-C 3.4Å; E11-S108 VanDerWaalsContact O-CA 3.3Å; E11-S108 WeakPolarHBondContact O-CA 3.49Å; E11-K109 PolarHBondContact O-N 3.21Å; E11-Y110 HydrophobicContact CB-CD2 4.1Å; E11-Y110 HydrophobicContact CB-CE2 4.15Å
12W96.3Very high88.3Confident7 Ų769.2 Ų69.23%0.02735%0.352CS..THydrogen-bonded Turntrans-91.3-2.5-176.146.6-99.1000113.2L7 A10 F34 V36 V80 V81 I84 P106L7-W12 HydrophobicContact CD1-CH2 3.74Å; L7-W12 HydrophobicContact CD1-CZ3 3.81Å; A10-W12 HydrophobicContact CB-CD2 4.11Å; A10-W12 HydrophobicContact CB-CE3 4.45Å; A10-W12 HydrophobicContact CB-CH2 4.09Å; A10-W12 HydrophobicContact CB-CZ2 3.72Å; A10-W12 HydrophobicContact CB-CZ3 4.44Å; A10-W12 PolarHBondContact O-N 3.36Å; A10-W12 VanDerWaalsContact O-N 3.15Å; W12-F34 HydrophobicContact CB-CE2 3.88Å; W12-F34 HydrophobicContact CB-CZ 4.35Å; W12-F34 HydrophobicContact CD2-CE2 4.23Å; W12-F34 AromaticContact CG-CE2 3.82Å; W12-F34 HydrophobicContact CG-CE2 3.82Å; W12-F34 HydrophobicContact CG-CZ 4.24Å; W12-V36 HydrophobicContact CE3-CB 3.62Å; W12-V36 HydrophobicContact CE3-CG2 3.41Å; W12-V36 VanDerWaalsContact CE3-CG2 3.41Å; W12-V36 HydrophobicContact CZ3-CB 3.65Å; W12-V36 HydrophobicContact CZ3-CG1 4.26Å; W12-V36 HydrophobicContact CZ3-CG2 3.46Å; W12-V36 VanDerWaalsContact CZ3-CG2 3.46Å; W12-V36 PolarHBondContact O-N 3.08Å; W12-V80 HydrophobicContact CH2-CG1 3.92Å; W12-V80 HydrophobicContact CZ3-CG1 4.05Å; W12-V81 HydrophobicContact CH2-CG2 4.23Å; W12-V81 HydrophobicContact CZ2-CG2 4.18Å; W12-I84 HydrophobicContact CD2-CG2 4.11Å; W12-I84 HydrophobicContact CE3-CG1 4.28Å; W12-I84 HydrophobicContact CH2-CB 3.93Å; W12-I84 HydrophobicContact CH2-CG1 3.56Å; W12-I84 HydrophobicContact CH2-CG2 4.33Å; W12-I84 HydrophobicContact CZ2-CB 3.71Å; W12-I84 HydrophobicContact CZ2-CG1 3.89Å; W12-I84 HydrophobicContact CZ2-CG2 3.78Å; W12-I84 HydrophobicContact CZ3-CG1 3.78Å; W12-P106 HydrophobicContact CB-CB 3.83Å; W12-P106 HydrophobicContact CG-CB 4.38Å
13Y96.6Very high90.4Very high9 Ų966 Ų664%0.03533%0.334CS..BIsolated β-bridgetrans-94.2113.7177.3177.8-112.8000110.5L7 A10 V36 D38 Y47L7-Y13 HydrophobicContact CD1-CD1 4.38Å; L7-Y13 HydrophobicContact CD1-CD2 3.93Å; L7-Y13 HydrophobicContact CD1-CG 3.83Å; L7-Y13 HydrophobicContact CD2-CD2 4.38Å; L7-Y13 HydrophobicContact CD2-CE2 4.18Å; L7-Y13 HydrophobicContact CG-CD1 3.99Å; L7-Y13 HydrophobicContact CG-CD2 4.1Å; L7-Y13 HydrophobicContact CG-CE1 4.19Å; L7-Y13 HydrophobicContact CG-CE2 4.31Å; L7-Y13 HydrophobicContact CG-CG 3.92Å; L7-Y13 WeakPolarHBondContact O-CB 3.39Å; L7-Y13 VanDerWaalsContact O-CD1 3.28Å; L7-Y13 WeakPolarHBondContact O-CD1 3.17Å; A10-Y13 PolarHBondContact O-N 3.41Å; A10-Y13 VanDerWaalsContact O-N 3.08Å; Y13-V36 WeakPolarHBondContact CA-O 3.42Å; Y13-V36 HydrophobicContact CD2-CB 4.41Å; Y13-V36 HydrophobicContact CD2-CG1 4.19Å; Y13-D38 WeakPolarHBondContact CE2-OD1 3.45Å; Y13-D38 PolarHBondContact OH-OD1 3.34Å; Y13-Y47 AromaticContact CE2-CD1 3.88Å; Y13-Y47 HydrophobicContact CE2-CD1 3.88Å; Y13-Y47 AromaticContact CE2-CE1 3.84Å; Y13-Y47 HydrophobicContact CE2-CE1 3.84Å
14W95.6Very high92.1Very high51 Ų5167 Ų6719%0.19334%0.336CS..  trans-101.4-0.1-174.3-76.175.9000114I17 K25 V36 V107 S108 K109W14-I17 HydrophobicContact CB-CD1 3.41Å; W14-I17 VanDerWaalsContact CB-CD1 3.41Å; W14-I17 HydrophobicContact CB-CG1 3.71Å; W14-I17 HydrophobicContact CB-CG2 4.18Å; W14-I17 HydrophobicContact CD2-CD1 4.15Å; W14-I17 HydrophobicContact CE3-CD1 4.32Å; W14-I17 HydrophobicContact CE3-CG2 4.34Å; W14-I17 HydrophobicContact CG-CD1 3.8Å; W14-K25 HydrophobicContact CD2-CD 4.23Å; W14-K25 HydrophobicContact CE3-CD 4.19Å; W14-K25 HydrophobicContact CH2-CD 3.88Å; W14-K25 HydrophobicContact CZ2-CD 3.87Å; W14-K25 HydrophobicContact CZ3-CD 4.04Å; W14-V36 PolarHBondContact N-O 3.13Å; W14-V107 HydrophobicContact CZ2-CG1 3.83Å; W14-V107 PolarHBondContact NE1-O 3.36Å; W14-S108 WeakPolarHBondContact CZ2-O 3.22Å; W14-K109 HydrophobicContact CD2-CB 4.26Å; W14-K109 HydrophobicContact CE3-CB 4.43Å; W14-K109 HydrophobicContact CH2-CB 4.23Å; W14-K109 VanDerWaalsContact CZ2-CA 3.47Å; W14-K109 HydrophobicContact CZ2-CB 4.07Å; W14-K109 HydrophobicContact CZ3-CB 4.41Å
15G93.6Very high93.4Very high13 Ų1362.3 Ų62.313%0.13431%0.308CS..  trans64.5-140.7-177.800000112.9I17 R37 D38G15-I17 VanDerWaalsContact C-N 3.28Å; G15-I17 PolarHBondContact O-N 3.49Å; G15-R37 CarbonylContact O-C 3.5Å; G15-R37 VanDerWaalsContact O-CA 3.31Å; G15-R37 WeakPolarHBondContact O-CA 3.43Å; G15-R37 VanDerWaalsContact O-CB 3.27Å; G15-R37 WeakPolarHBondContact O-CB 3.33Å; G15-D38 PolarHBondContact O-N 3.22Å
16D92.4Very high94.1Very high141 Ų14157.8 Ų57.875%0.75429%0.286SS*.SBendtrans-8461-176-167.924.3000112.7
17I94Very high94.3Very high18 Ų1862.7 Ų62.79%0.09230%0.296CS..  trans-88.9148.1169.258.9164.5000111.6W14 G15 E21 V22 L35 R37W14-I17 HydrophobicContact CB-CD1 3.41Å; W14-I17 VanDerWaalsContact CB-CD1 3.41Å; W14-I17 HydrophobicContact CB-CG1 3.71Å; W14-I17 HydrophobicContact CB-CG2 4.18Å; W14-I17 HydrophobicContact CD2-CD1 4.15Å; W14-I17 HydrophobicContact CE3-CD1 4.32Å; W14-I17 HydrophobicContact CE3-CG2 4.34Å; W14-I17 HydrophobicContact CG-CD1 3.8Å; G15-I17 VanDerWaalsContact C-N 3.28Å; G15-I17 PolarHBondContact O-N 3.49Å; I17-E21 HydrophobicContact CB-CB 4.41Å; I17-V22 HydrophobicContact CD1-CG2 3.46Å; I17-V22 VanDerWaalsContact CD1-CG2 3.46Å; I17-V22 HydrophobicContact CG1-CG2 3.98Å; I17-L35 HydrophobicContact CD1-CD1 4.28Å; I17-R37 HydrophobicContact CG1-CB 3.81Å; I17-R37 VanDerWaalsContact O-CD 3.28Å; I17-R37 WeakPolarHBondContact O-CD 3.45Å
18S92.6Very high94.4Very high44 Ų4468 Ų6831%0.30833%0.325SS..  trans-67.5162.1179.365.80000112.4E20 E21 V22S18-E20 WeakPolarHBondContact CB-OE2 3.39Å; S18-E20 PolarHBondContact O-N 2.94Å; S18-E21 WeakPolarHBondContact CB-OE2 3.45Å; S18-E21 PolarHBondContact N-OE2 3.2Å; S18-E21 PolarHBondContact O-N 3.37Å; S18-E21 WeakPolarHBondContact OG-CB 3.25Å; S18-E21 VanDerWaalsContact OG-CG 3.23Å; S18-E21 WeakPolarHBondContact OG-CG 3.49Å; S18-E21 PolarHBondContact OG-N 3.01Å; S18-E21 VanDerWaalsContact OG-N 3.17Å; S18-E21 PolarHBondContact OG-OE2 2.96Å; S18-V22 WeakPolarHBondContact O-CG2 3.35Å; S18-V22 PolarHBondContact O-N 3.19Å
19R91.6Very high94.7Very high131 Ų13164.6 Ų64.649%0.49431%0.312SS..Hα-helixtrans-64.6-34.2175.4-178.7-176.7-64.9-172.61.2110.8V22 N23R19-V22 PolarHBondContact O-N 3.48Å; R19-N23 PolarHBondContact O-N 3.48Å; R19-N23 PolarHBondContact O-ND2 3.29Å
20E94.5Very high94.9Very high120 Ų12063 Ų6356%0.56131%0.311SS*.Hα-helixtrans-63.7-49.4-179.9-66.163.3-138.800110S18 V22 N23 E24S18-E20 WeakPolarHBondContact CB-OE2 3.39Å; S18-E20 PolarHBondContact O-N 2.94Å; E20-V22 VanDerWaalsContact C-N 3.31Å; E20-V22 PolarHBondContact O-N 3.5Å; E20-N23 WeakPolarHBondContact O-CB 3.46Å; E20-N23 PolarHBondContact O-N 3.37Å; E20-E24 PolarHBondContact O-N 2.96Å
21E95.1Very high95.1Very high80 Ų8065.8 Ų65.837%0.37433%0.326SS..Hα-helixtrans-60.1-38.9175.5-74.1169.8104.100112.7I17 S18 E24 K25I17-E21 HydrophobicContact CB-CB 4.41Å; S18-E21 WeakPolarHBondContact CB-OE2 3.45Å; S18-E21 PolarHBondContact N-OE2 3.2Å; S18-E21 PolarHBondContact O-N 3.37Å; S18-E21 WeakPolarHBondContact OG-CB 3.25Å; S18-E21 VanDerWaalsContact OG-CG 3.23Å; S18-E21 WeakPolarHBondContact OG-CG 3.49Å; S18-E21 PolarHBondContact OG-N 3.01Å; S18-E21 VanDerWaalsContact OG-N 3.17Å; S18-E21 PolarHBondContact OG-OE2 2.96Å; E21-E24 PolarHBondContact O-N 2.91Å; E21-K25 WeakPolarHBondContact O-CG 3.47Å; E21-K25 PolarHBondContact O-N 3.32Å
22V96Very high95.1Very high2 Ų262.7 Ų62.71%0.01231%0.311CS..Hα-helixtrans-62.1-44.2173.7173.70000111.4I17 S18 R19 E20 E24 K25 L26 L35 R37 T50I17-V22 HydrophobicContact CD1-CG2 3.46Å; I17-V22 VanDerWaalsContact CD1-CG2 3.46Å; I17-V22 HydrophobicContact CG1-CG2 3.98Å; S18-V22 WeakPolarHBondContact O-CG2 3.35Å; S18-V22 PolarHBondContact O-N 3.19Å; R19-V22 PolarHBondContact O-N 3.48Å; E20-V22 VanDerWaalsContact C-N 3.31Å; E20-V22 PolarHBondContact O-N 3.5Å; V22-E24 VanDerWaalsContact C-N 3.3Å; V22-E24 PolarHBondContact O-N 3.27Å; V22-K25 PolarHBondContact O-N 2.99Å; V22-L26 HydrophobicContact CG1-CD1 3.78Å; V22-L26 HydrophobicContact CG1-CG 4.41Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.46Å; V22-L35 HydrophobicContact CB-CD1 4.41Å; V22-L35 HydrophobicContact CG1-CD1 3.94Å; V22-L35 HydrophobicContact CG1-CD2 4.26Å; V22-L35 HydrophobicContact CG1-CG 4.3Å; V22-L35 HydrophobicContact CG2-CD1 3.63Å; V22-L35 HydrophobicContact CG2-CD2 4.38Å; V22-R37 HydrophobicContact CG2-CG 4.39Å; V22-T50 HydrophobicContact CG1-CG2 3.65Å
23N95.1Very high95.2Very high65 Ų6563 Ų6335%0.34831%0.314SS..Hα-helixtrans-62.8-39.2179.7-75-30.3000111.7R19 E20 R27 N57R19-N23 PolarHBondContact O-N 3.48Å; R19-N23 PolarHBondContact O-ND2 3.29Å; E20-N23 WeakPolarHBondContact O-CB 3.46Å; E20-N23 PolarHBondContact O-N 3.37Å; N23-R27 WeakPolarHBondContact O-CB 3.4Å; N23-R27 PolarHBondContact O-N 3.28Å; N23-N57 PolarHBondContact OD1-ND2 2.95Å
24E95.4Very high95.3Very high120 Ų12062.5 Ų62.556%0.56131%0.312SS*.Hα-helixtrans-65.2-45.9175.2-68-168.1127.600112.2E20 E21 V22 L26 R27E20-E24 PolarHBondContact O-N 2.96Å; E21-E24 PolarHBondContact O-N 2.91Å; V22-E24 VanDerWaalsContact C-N 3.3Å; V22-E24 PolarHBondContact O-N 3.27Å; E24-L26 VanDerWaalsContact C-N 3.26Å; E24-L26 PolarHBondContact O-N 2.76Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 2.93Å
25K95.6Very high95.4Very high64 Ų6460.1 Ų60.128%0.27830%0.303SS..Hα-helixtrans-64.5-29.2179.2-71.7177.6-164.9-60.20113.5W14 E21 V22 L35 V107W14-K25 HydrophobicContact CD2-CD 4.23Å; W14-K25 HydrophobicContact CE3-CD 4.19Å; W14-K25 HydrophobicContact CH2-CD 3.88Å; W14-K25 HydrophobicContact CZ2-CD 3.87Å; W14-K25 HydrophobicContact CZ3-CD 4.04Å; E21-K25 WeakPolarHBondContact O-CG 3.47Å; E21-K25 PolarHBondContact O-N 3.32Å; V22-K25 PolarHBondContact O-N 2.99Å; K25-L35 HydrophobicContact CB-CD2 4.27Å; K25-L35 HydrophobicContact CD-CD2 4.23Å; K25-V107 HydrophobicContact CB-CG1 4.28Å; K25-V107 HydrophobicContact CD-CG1 4.38Å
26L96.3Very high95.6Very high0 Ų059.5 Ų59.50%030%0.297CS..THydrogen-bonded Turntrans-96.4-1.8178.5-65177.9000113.5V22 E24 D28 T29 T33 T50 V107V22-L26 HydrophobicContact CG1-CD1 3.78Å; V22-L26 HydrophobicContact CG1-CG 4.41Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.46Å; E24-L26 VanDerWaalsContact C-N 3.26Å; E24-L26 PolarHBondContact O-N 2.76Å; L26-D28 PolarHBondContact O-N 3.39Å; L26-T29 PolarHBondContact O-N 3.48Å; L26-T29 PolarHBondContact O-OG1 2.94Å; L26-T33 HydrophobicContact CD2-CG2 3.57Å; L26-T50 HydrophobicContact CD1-CG2 3.49Å; L26-T50 VanDerWaalsContact CD1-CG2 3.49Å; L26-V107 HydrophobicContact CD2-CG2 3.78Å
27R95.3Very high95.7Very high153 Ų15353.1 Ų53.158%0.57726%0.262SS*.THydrogen-bonded Turntrans-62.4131.7179.6-172.6170.465.7-140.1-1.6110N23 E24 T29N23-R27 WeakPolarHBondContact O-CB 3.4Å; N23-R27 PolarHBondContact O-N 3.28Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 2.93Å; R27-T29 PolarHBondContact O-N 2.92Å
28D94.3Very high95.7Very high140 Ų14054.4 Ų54.475%0.74927%0.269SS*.THydrogen-bonded Turntrans53.925.7179.2-52.7-37.1000115.2L26L26-D28 PolarHBondContact O-N 3.39Å
29T96.6Very high95.5Very high41 Ų4152.9 Ų52.925%0.25226%0.26SS..PPolyproline II helixtrans-88.9160.1174.762.50000112.5L26 R27 T33 R52L26-T29 PolarHBondContact O-N 3.48Å; L26-T29 PolarHBondContact O-OG1 2.94Å; R27-T29 PolarHBondContact O-N 2.92Å; T29-T33 HydrophobicContact CG2-CG2 4.18Å; T29-R52 WeakPolarHBondContact O-CG 3.23Å
30A97.1Very high94.9Very high57 Ų5751 Ų5147%0.47127%0.266SS..PPolyproline II helixtrans-69.9158.8179.100000112.9G32 T33 R52 Y105A30-G32 PolarHBondContact O-N 2.92Å; A30-T33 WeakPolarHBondContact O-CB 3.49Å; A30-T33 PolarHBondContact O-N 3.43Å; A30-T33 PolarHBondContact O-OG1 3.32Å; A30-R52 WeakPolarHBondContact O-CB 3.47Å; A30-R52 WeakPolarHBondContact O-CG 3.25Å; A30-Y105 HydrophobicContact CB-CD2 4.34Å; A30-Y105 HydrophobicContact CB-CE2 4.14Å
31D97Very high93.9Very high60 Ų6048.5 Ų48.532%0.32126%0.259SS..THydrogen-bonded Turntrans-60137.1170.5-83.59.7000110.8R52 K53 G54 Y105D31-R52 WeakPolarHBondContact CA-O 3.27Å; D31-K53 WeakPolarHBondContact OD1-CA 3.07Å; D31-K53 WeakPolarHBondContact OD2-CD 3.34Å; D31-K53 IonicContact OD2-NZ 2.64Å; D31-G54 VanDerWaalsContact CG-N 3.28Å; D31-G54 PolarHBondContact OD1-N 3.47Å; D31-G54 PolarHBondContact OD2-N 2.97Å; D31-Y105 WeakPolarHBondContact O-CE2 3.42Å
32G96.6Very high92.3Very high0 Ų054.7 Ų54.70%029%0.285CS..THydrogen-bonded Turntrans91.5-4.1-174.700000114.3A30 R52 K102 L104 Y105A30-G32 PolarHBondContact O-N 2.92Å; G32-R52 PolarHBondContact N-O 3.47Å; G32-K102 WeakPolarHBondContact CA-O 3.28Å; G32-L104 PolarHBondContact O-N 3.21Å; G32-Y105 PolarHBondContact O-N 3.48Å; G32-Y105 VanDerWaalsContact O-N 3.08Å
33T98.2Very high90.8Very high13 Ų1361.3 Ų61.38%0.0832%0.318CS..EExtended strand (participates in β ladder)trans-72.3133.3171.8-57.30000111.1L26 T29 A30 L51 R52 Y105 V107L26-T33 HydrophobicContact CD2-CG2 3.57Å; T29-T33 HydrophobicContact CG2-CG2 4.18Å; A30-T33 WeakPolarHBondContact O-CB 3.49Å; A30-T33 PolarHBondContact O-N 3.43Å; A30-T33 PolarHBondContact O-OG1 3.32Å; T33-L51 CarbonylContact O-C 3.58Å; T33-L51 WeakPolarHBondContact O-CA 3.39Å; T33-R52 PolarHBondContact O-N 3.4Å; T33-Y105 CarbonylContact C-O 3.59Å; T33-Y105 VanDerWaalsContact CA-O 3.26Å; T33-Y105 WeakPolarHBondContact CA-O 3.39Å; T33-V107 HydrophobicContact CG2-CG2 3.56Å
34F98.4Very high89.3Confident0 Ų067.5 Ų67.50%034%0.344CS..EExtended strand (participates in β ladder)trans-151161.8-172.777.1-79.6000114.4W12 L49 T50 L51 I84 R88 L103 Y105 P106 V107W12-F34 HydrophobicContact CB-CE2 3.88Å; W12-F34 HydrophobicContact CB-CZ 4.35Å; W12-F34 HydrophobicContact CD2-CE2 4.23Å; W12-F34 AromaticContact CG-CE2 3.82Å; W12-F34 HydrophobicContact CG-CE2 3.82Å; W12-F34 HydrophobicContact CG-CZ 4.24Å; F34-L49 HydrophobicContact CB-CD1 4.02Å; F34-L49 HydrophobicContact CD2-CD1 3.72Å; F34-L49 HydrophobicContact CG-CD1 4.28Å; F34-T50 WeakPolarHBondContact CA-O 3.39Å; F34-T50 WeakPolarHBondContact CB-O 3.46Å; F34-L51 HydrophobicContact CB-CB 4.48Å; F34-L51 HydrophobicContact CB-CD1 4.08Å; F34-I84 HydrophobicContact CE2-CG2 3.65Å; F34-I84 HydrophobicContact CZ-CG2 3.98Å; F34-R88 HydrophobicContact CZ-CG 4.36Å; F34-L103 HydrophobicContact CB-CD2 4.03Å; F34-L103 HydrophobicContact CD1-CB 3.74Å; F34-L103 HydrophobicContact CD1-CD2 4.18Å; F34-L103 HydrophobicContact CD1-CG 4.48Å; F34-L103 HydrophobicContact CD2-CB 4.48Å; F34-L103 HydrophobicContact CD2-CD1 4.33Å; F34-L103 HydrophobicContact CD2-CD2 4.29Å; F34-L103 HydrophobicContact CE1-CB 3.6Å; F34-L103 HydrophobicContact CE2-CB 4.37Å; F34-L103 HydrophobicContact CE2-CD1 4.29Å; F34-L103 HydrophobicContact CG-CB 4.18Å; F34-L103 HydrophobicContact CG-CD2 3.9Å; F34-L103 HydrophobicContact CG-CG 4.47Å; F34-L103 HydrophobicContact CZ-CB 3.93Å; F34-Y105 PolarHBondContact N-O 3.21Å; F34-P106 HydrophobicContact CE1-CB 3.9Å; F34-P106 HydrophobicContact CZ-CB 3.81Å; F34-V107 PolarHBondContact O-N 2.73Å
35L98.1Very high88Confident0 Ų062.5 Ų62.50%033%0.325CS..EExtended strand (participates in β ladder)trans-151.7164.5166.760.881.4000110.7I17 V22 K25 T50 V107I17-L35 HydrophobicContact CD1-CD1 4.28Å; V22-L35 HydrophobicContact CB-CD1 4.41Å; V22-L35 HydrophobicContact CG1-CD1 3.94Å; V22-L35 HydrophobicContact CG1-CD2 4.26Å; V22-L35 HydrophobicContact CG1-CG 4.3Å; V22-L35 HydrophobicContact CG2-CD1 3.63Å; V22-L35 HydrophobicContact CG2-CD2 4.38Å; K25-L35 HydrophobicContact CB-CD2 4.27Å; K25-L35 HydrophobicContact CD-CD2 4.23Å; L35-T50 PolarHBondContact N-O 2.93Å; L35-T50 VanDerWaalsContact N-O 3.07Å; L35-T50 PolarHBondContact O-N 3.37Å; L35-V107 HydrophobicContact CB-CB 4.23Å; L35-V107 HydrophobicContact CD2-CB 4.19Å; L35-V107 HydrophobicContact CD2-CG1 4.42Å; L35-V107 HydrophobicContact CD2-CG2 4.35Å
36V97.4Very high87.3Confident0 Ų060.6 Ų60.60%032%0.317CS..EExtended strand (participates in β ladder)trans-118.7138172.8-178.50000109.5W12 Y13 W14 Y47 T48 L49 I62 V80 I84W12-V36 HydrophobicContact CE3-CB 3.62Å; W12-V36 HydrophobicContact CE3-CG2 3.41Å; W12-V36 VanDerWaalsContact CE3-CG2 3.41Å; W12-V36 HydrophobicContact CZ3-CB 3.65Å; W12-V36 HydrophobicContact CZ3-CG1 4.26Å; W12-V36 HydrophobicContact CZ3-CG2 3.46Å; W12-V36 VanDerWaalsContact CZ3-CG2 3.46Å; W12-V36 PolarHBondContact O-N 3.08Å; Y13-V36 WeakPolarHBondContact CA-O 3.42Å; Y13-V36 HydrophobicContact CD2-CB 4.41Å; Y13-V36 HydrophobicContact CD2-CG1 4.19Å; W14-V36 PolarHBondContact N-O 3.13Å; V36-Y47 HydrophobicContact CG1-CG 4.45Å; V36-T48 WeakPolarHBondContact CA-O 3.49Å; V36-L49 HydrophobicContact CG2-CB 4.37Å; V36-L49 HydrophobicContact CG2-CD1 3.95Å; V36-I62 HydrophobicContact CG1-CD1 4.21Å; V36-I62 HydrophobicContact CG2-CD1 4.47Å; V36-V80 HydrophobicContact CG1-CG1 4.49Å; V36-I84 HydrophobicContact CG2-CD1 3.81Å; V36-I84 HydrophobicContact CG2-CG1 4.12Å
37R95.6Very high87.2Confident8 Ų862.1 Ų62.13%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-133.4169.8173.962.4165.4-175.186.516.3110.6G15 I17 V22 S40 Y47 T48G15-R37 CarbonylContact O-C 3.5Å; G15-R37 VanDerWaalsContact O-CA 3.31Å; G15-R37 WeakPolarHBondContact O-CA 3.43Å; G15-R37 VanDerWaalsContact O-CB 3.27Å; G15-R37 WeakPolarHBondContact O-CB 3.33Å; I17-R37 HydrophobicContact CG1-CB 3.81Å; I17-R37 VanDerWaalsContact O-CD 3.28Å; I17-R37 WeakPolarHBondContact O-CD 3.45Å; V22-R37 HydrophobicContact CG2-CG 4.39Å; R37-S40 PolarHBondContact NH1-OG 2.85Å; R37-Y47 WeakPolarHBondContact O-CA 3.36Å; R37-T48 PolarHBondContact N-O 3.42Å; R37-T48 PolarHBondContact O-N 3.5Å
38D93.2Very high87.2Confident44 Ų4455.6 Ų55.624%0.23530%0.3CS..EExtended strand (participates in β ladder)trans-63.5145.4172.5-65.4-13.6000110.5Y13 G15 Y47Y13-D38 WeakPolarHBondContact CE2-OD1 3.45Å; Y13-D38 PolarHBondContact OH-OD1 3.34Å; G15-D38 PolarHBondContact O-N 3.22Å; D38-Y47 WeakPolarHBondContact OD1-CE1 3.43Å
39A87.6Confident87.4Confident13 Ų1348.9 Ų48.911%0.10727%0.265CS..  trans-69.3146.9172.800000110T41 D46A39-T41 PolarHBondContact O-N 2.73Å; A39-T41 VanDerWaalsContact O-N 3.08Å; A39-D46 HydrophobicContact CB-CB 3.62Å; A39-D46 WeakPolarHBondContact CB-O 3.41Å; A39-D46 PolarHBondContact N-O 3.16Å
40S79.2Confident87.4Confident91 Ų9147 Ų4764%0.63625%0.253SS*.SBendtrans-67.2-9.7177.4-47.10000113.2R37R37-S40 PolarHBondContact NH1-OG 2.85Å
41T73.5Confident87.5Confident68 Ų6844.3 Ų44.342%0.41723%0.231SC..SBendtrans-80.6134174.348.40000110A39 M43A39-T41 PolarHBondContact O-N 2.73Å; A39-T41 VanDerWaalsContact O-N 3.08Å; T41-M43 PolarHBondContact O-N 3.1Å
42K62.5Low87.5Confident209 Ų20943 Ų4391%0.90922%0.222SC*.SBendtrans-65.37.7178-65.4-169.4176.5-173.20115.4H44K42-H44 PolarHBondContact O-N 3.36Å
43M64.3Low87.4Confident142 Ų14245.7 Ų45.770%0.723%0.233SC*.SBendtrans-79.1115.9176.7-71.2-75.4168.800108.7T41 G45T41-M43 PolarHBondContact O-N 3.1Å; M43-G45 PolarHBondContact O-N 3.04Å
44H63.5Low87.2Confident194 Ų19447.5 Ų47.590%0.89825%0.254SS*.THydrogen-bonded Turntrans-60.3126.8176.6-74-68.5000111K42K42-H44 PolarHBondContact O-N 3.36Å
45G67.2Low87Confident15 Ų1549.4 Ų49.416%0.15527%0.274CS..THydrogen-bonded Turntrans102.6-4.2174.600000115.6M43 Y47 H64M43-G45 PolarHBondContact O-N 3.04Å; G45-Y47 VanDerWaalsContact O-CD2 3.3Å; G45-Y47 WeakPolarHBondContact O-CD2 3.37Å; G45-Y47 VanDerWaalsContact O-CE2 3.27Å; G45-Y47 WeakPolarHBondContact O-CE2 3.45Å; G45-H64 WeakPolarHBondContact O-CB 3.13Å
46D81.9Confident86.8Confident24 Ų2453.9 Ų53.913%0.12830%0.298CS..  trans-85.3128.8169.4-81.3-9.6000110.1A39 K61A39-D46 HydrophobicContact CB-CB 3.62Å; A39-D46 WeakPolarHBondContact CB-O 3.41Å; A39-D46 PolarHBondContact N-O 3.16Å; D46-K61 VanDerWaalsContact CG-CE 3.47Å; D46-K61 WeakPolarHBondContact OD2-CE 3.43Å; D46-K61 IonicContact OD2-NZ 3.9Å; D46-K61 PolarHBondContact OD2-NZ 2.84Å
47Y93.9Very high86.8Confident33 Ų3355.6 Ų55.613%0.12931%0.307CS..EExtended strand (participates in β ladder)trans-121.4161.6178.2-54.9-81.7000111L7 Y13 V36 R37 D38 G45 I62 Y69 V80L7-Y47 HydrophobicContact CD2-CD1 4.42Å; L7-Y47 HydrophobicContact CD2-CE1 3.64Å; L7-Y47 HydrophobicContact CD2-CE2 4.06Å; L7-Y47 VanDerWaalsContact CD2-CZ 3.42Å; L7-Y47 WeakPolarHBondContact CD2-OH 3.25Å; Y13-Y47 AromaticContact CE2-CD1 3.88Å; Y13-Y47 HydrophobicContact CE2-CD1 3.88Å; Y13-Y47 AromaticContact CE2-CE1 3.84Å; Y13-Y47 HydrophobicContact CE2-CE1 3.84Å; V36-Y47 HydrophobicContact CG1-CG 4.45Å; R37-Y47 WeakPolarHBondContact O-CA 3.36Å; D38-Y47 WeakPolarHBondContact OD1-CE1 3.43Å; G45-Y47 VanDerWaalsContact O-CD2 3.3Å; G45-Y47 WeakPolarHBondContact O-CD2 3.37Å; G45-Y47 VanDerWaalsContact O-CE2 3.27Å; G45-Y47 WeakPolarHBondContact O-CE2 3.45Å; Y47-I62 PolarHBondContact N-O 2.96Å; Y47-I62 PolarHBondContact O-N 3.45Å; Y47-Y69 HydrophobicContact CD2-CE1 4.49Å; Y47-Y69 HydrophobicContact CE2-CE1 4.04Å; Y47-V80 HydrophobicContact CD2-CG2 3.57Å; Y47-V80 HydrophobicContact CE2-CG2 3.64Å; Y47-V80 HydrophobicContact CG-CG2 4.44Å
48T95.8Very high86.8Confident15 Ų1559 Ų599%0.09232%0.322CS..EExtended strand (participates in β ladder)trans-122.3118.5172.6-54.80000109.9V36 R37 L59V36-T48 WeakPolarHBondContact CA-O 3.49Å; R37-T48 PolarHBondContact N-O 3.42Å; R37-T48 PolarHBondContact O-N 3.5Å; T48-L59 HydrophobicContact CG2-CB 4.3Å; T48-L59 HydrophobicContact CG2-CG 4.49Å
49L97.2Very high86.9Confident0 Ų060.9 Ų60.90%033%0.332CS..EExtended strand (participates in β ladder)trans-81.7127.3164.817063.9000108.3F34 V36 I60 I62 F71 I84 L103F34-L49 HydrophobicContact CB-CD1 4.02Å; F34-L49 HydrophobicContact CD2-CD1 3.72Å; F34-L49 HydrophobicContact CG-CD1 4.28Å; V36-L49 HydrophobicContact CG2-CB 4.37Å; V36-L49 HydrophobicContact CG2-CD1 3.95Å; L49-I60 HydrophobicContact CB-CB 4.35Å; L49-I60 HydrophobicContact CD2-CD1 4.23Å; L49-I60 PolarHBondContact N-O 2.85Å; L49-I60 PolarHBondContact O-N 3.28Å; L49-I62 HydrophobicContact CB-CD1 4.19Å; L49-I62 HydrophobicContact CB-CG1 4.42Å; L49-F71 HydrophobicContact CD2-CE1 3.84Å; L49-F71 HydrophobicContact CD2-CZ 3.64Å; L49-I84 HydrophobicContact CD1-CD1 4.03Å; L49-I84 HydrophobicContact CD2-CD1 4.18Å; L49-L103 HydrophobicContact CD1-CD2 4.31Å; L49-L103 HydrophobicContact CD2-CD1 4.24Å; L49-L103 HydrophobicContact CD2-CD2 4.17Å
50T97.7Very high87.2Confident2 Ų260.6 Ų60.61%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-114.5126.5170.2-48.80000109.2V22 L26 F34 L35 N57 K58 L59V22-T50 HydrophobicContact CG1-CG2 3.65Å; L26-T50 HydrophobicContact CD1-CG2 3.49Å; L26-T50 VanDerWaalsContact CD1-CG2 3.49Å; F34-T50 WeakPolarHBondContact CA-O 3.39Å; F34-T50 WeakPolarHBondContact CB-O 3.46Å; L35-T50 PolarHBondContact N-O 2.93Å; L35-T50 VanDerWaalsContact N-O 3.07Å; L35-T50 PolarHBondContact O-N 3.37Å; T50-N57 HydrophobicContact CG2-CB 4Å; T50-K58 WeakPolarHBondContact CA-O 3.44Å; T50-L59 HydrophobicContact CG2-CD1 4.25Å; T50-L59 HydrophobicContact CG2-CG 4.4Å
51L97.7Very high87.9Confident0 Ų059.9 Ų59.90%031%0.314CS..EExtended strand (participates in β ladder)trans-129.1137.3-172.8168.468000110.8T33 F34 K58 L92 V101 L103T33-L51 CarbonylContact O-C 3.58Å; T33-L51 WeakPolarHBondContact O-CA 3.39Å; F34-L51 HydrophobicContact CB-CB 4.48Å; F34-L51 HydrophobicContact CB-CD1 4.08Å; L51-K58 PolarHBondContact N-O 3.24Å; L51-K58 PolarHBondContact O-N 3.47Å; L51-L92 HydrophobicContact CD2-CD1 3.25Å; L51-V101 HydrophobicContact CD2-CG1 3.72Å; L51-V101 HydrophobicContact CG-CG1 4.46Å; L51-L103 HydrophobicContact CD1-CD2 3.88Å; L51-L103 HydrophobicContact CD2-CD2 4.27Å
52R97.8Very high88.9Confident33 Ų3356.7 Ų56.713%0.12529%0.294CS..EExtended strand (participates in β ladder)trans-83.1124.3172.6-165.970.6170.7174.51.5110.8T29 A30 D31 G32 T33 G55 N57T29-R52 WeakPolarHBondContact O-CG 3.23Å; A30-R52 WeakPolarHBondContact O-CB 3.47Å; A30-R52 WeakPolarHBondContact O-CG 3.25Å; D31-R52 WeakPolarHBondContact CA-O 3.27Å; G32-R52 PolarHBondContact N-O 3.47Å; T33-R52 PolarHBondContact O-N 3.4Å; R52-G55 PolarHBondContact NH1-O 2.97Å; R52-G55 VanDerWaalsContact NH1-O 3.12Å; R52-G55 PolarHBondContact NH2-O 2.82Å; R52-N57 WeakPolarHBondContact CD-OD1 3.35Å; R52-N57 PolarHBondContact NH1-OD1 3.49Å
53K95.6Very high90.3Very high55 Ų5550.8 Ų50.824%0.23927%0.269CS..EExtended strand (participates in β ladder)trans-150.3126.5173.3-179.462.2177.7-179.10111.3D31 G55 N56 K58 L99 D100 V101D31-K53 WeakPolarHBondContact OD1-CA 3.07Å; D31-K53 WeakPolarHBondContact OD2-CD 3.34Å; D31-K53 IonicContact OD2-NZ 2.64Å; K53-G55 VanDerWaalsContact C-N 3.28Å; K53-G55 PolarHBondContact O-N 3.38Å; K53-N56 PolarHBondContact N-O 2.9Å; K53-N56 PolarHBondContact O-N 3.06Å; K53-K58 HydrophobicContact CB-CG 4.14Å; K53-L99 HydrophobicContact CG-CD2 4.49Å; K53-D100 PolarHBondContact NZ-O 2.86Å; K53-V101 HydrophobicContact CD-CB 3.92Å; K53-V101 HydrophobicContact CD-CG1 3.95Å; K53-V101 HydrophobicContact CD-CG2 4.36Å; K53-V101 HydrophobicContact CG-CG1 4.41Å
54G94.1Very high91.5Very high51 Ų5147.5 Ų47.553%0.52625%0.251SS..THydrogen-bonded Turntrans57.642-179.500000112.1D31 N56D31-G54 VanDerWaalsContact CG-N 3.28Å; D31-G54 PolarHBondContact OD1-N 3.47Å; D31-G54 PolarHBondContact OD2-N 2.97Å; G54-N56 PolarHBondContact O-N 3.17Å; G54-N56 PolarHBondContact O-ND2 3.4Å
55G93.3Very high92.8Very high41 Ų4145.9 Ų45.942%0.42324%0.238SC..THydrogen-bonded Turntrans6910.3-179.400000115.4R52 K53R52-G55 PolarHBondContact NH1-O 2.97Å; R52-G55 VanDerWaalsContact NH1-O 3.12Å; R52-G55 PolarHBondContact NH2-O 2.82Å; K53-G55 VanDerWaalsContact C-N 3.28Å; K53-G55 PolarHBondContact O-N 3.38Å
56N94.7Very high93.9Very high94 Ų9451.9 Ų51.950%0.50327%0.266SS..EExtended strand (participates in β ladder)trans-124.2150.2-178.7-71.9-83.6000111.6K53 G54K53-N56 PolarHBondContact N-O 2.9Å; K53-N56 PolarHBondContact O-N 3.06Å; G54-N56 PolarHBondContact O-N 3.17Å; G54-N56 PolarHBondContact O-ND2 3.4Å
57N96.9Very high94.2Very high35 Ų3552.7 Ų52.719%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-84.8124.1173.5-64.1-4.8000109.1N23 T50 R52 L59N23-N57 PolarHBondContact OD1-ND2 2.95Å; T50-N57 HydrophobicContact CG2-CB 4Å; R52-N57 WeakPolarHBondContact CD-OD1 3.35Å; R52-N57 PolarHBondContact NH1-OD1 3.49Å; N57-L59 HydrophobicContact CB-CD1 4.49Å
58K96Very high94.2Very high80 Ų8054.5 Ų54.535%0.34829%0.289SS..EExtended strand (participates in β ladder)trans-105118.3176.9-55.2-58.7-178.9-172.40108.1T50 L51 K53 L99T50-K58 WeakPolarHBondContact CA-O 3.44Å; L51-K58 PolarHBondContact N-O 3.24Å; L51-K58 PolarHBondContact O-N 3.47Å; K53-K58 HydrophobicContact CB-CG 4.14Å; K58-L99 HydrophobicContact CB-CD2 4.32Å; K58-L99 HydrophobicContact CD-CD2 4.39Å; K58-L99 HydrophobicContact CG-CD2 3.85Å
59L94.9Very high94.1Very high84 Ų8455.6 Ų55.644%0.4429%0.292SS..EExtended strand (participates in β ladder)trans-95.9122.8179.1-72.771.8000108.2T48 T50 N57T48-L59 HydrophobicContact CG2-CB 4.3Å; T48-L59 HydrophobicContact CG2-CG 4.49Å; T50-L59 HydrophobicContact CG2-CD1 4.25Å; T50-L59 HydrophobicContact CG2-CG 4.4Å; N57-L59 HydrophobicContact CB-CD1 4.49Å
60I94.7Very high93.9Very high7 Ų755.8 Ų55.84%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-123.5121.4-179-51.7174.5000107.5L49 F71 Y95 L99L49-I60 HydrophobicContact CB-CB 4.35Å; L49-I60 HydrophobicContact CD2-CD1 4.23Å; L49-I60 PolarHBondContact N-O 2.85Å; L49-I60 PolarHBondContact O-N 3.28Å; I60-F71 HydrophobicContact CG2-CB 4.11Å; I60-F71 HydrophobicContact CG2-CD1 3.43Å; I60-F71 VanDerWaalsContact CG2-CD1 3.43Å; I60-F71 HydrophobicContact CG2-CD2 4.5Å; I60-F71 HydrophobicContact CG2-CE1 3.89Å; I60-F71 HydrophobicContact CG2-CG 3.78Å; I60-Y95 HydrophobicContact CG2-CE1 4.07Å; I60-L99 HydrophobicContact CD1-CD1 3.78Å; I60-L99 HydrophobicContact CG1-CD1 4.49Å
61K93Very high93.7Very high76 Ų7656.1 Ų56.133%0.3329%0.294SS..EExtended strand (participates in β ladder)trans-75.1133.7176.3-174.7169.8177.9177.50109.5D46 F63D46-K61 VanDerWaalsContact CG-CE 3.47Å; D46-K61 WeakPolarHBondContact OD2-CE 3.43Å; D46-K61 IonicContact OD2-NZ 3.9Å; D46-K61 PolarHBondContact OD2-NZ 2.84Å; K61-F63 HydrophobicContact CB-CE2 4.13Å; K61-F63 HydrophobicContact CB-CZ 4.23Å; K61-F63 HydrophobicContact CD-CD1 4.16Å; K61-F63 HydrophobicContact CD-CE1 3.62Å; K61-F63 HydrophobicContact CD-CE2 4.38Å; K61-F63 HydrophobicContact CD-CZ 3.75Å; K61-F63 HydrophobicContact CG-CD1 4.45Å; K61-F63 HydrophobicContact CG-CD2 4.45Å; K61-F63 HydrophobicContact CG-CE1 4.21Å; K61-F63 HydrophobicContact CG-CE2 4.19Å; K61-F63 HydrophobicContact CG-CZ 4.07Å
62I94.5Very high93.2Very high0 Ų059.1 Ų59.10%032%0.316CS..EExtended strand (participates in β ladder)trans-99.5114.1169.3-55.1178.3000106.5V36 Y47 L49 Y69 F71 V80 L83V36-I62 HydrophobicContact CG1-CD1 4.21Å; V36-I62 HydrophobicContact CG2-CD1 4.47Å; Y47-I62 PolarHBondContact N-O 2.96Å; Y47-I62 PolarHBondContact O-N 3.45Å; L49-I62 HydrophobicContact CB-CD1 4.19Å; L49-I62 HydrophobicContact CB-CG1 4.42Å; I62-Y69 HydrophobicContact CG2-CD1 4.26Å; I62-F71 HydrophobicContact CD1-CE1 4.41Å; I62-F71 HydrophobicContact CG1-CD1 4.14Å; I62-F71 HydrophobicContact CG1-CE1 3.86Å; I62-V80 HydrophobicContact CD1-CG1 3.94Å; I62-V80 HydrophobicContact CG2-CG2 4.4Å; I62-L83 HydrophobicContact CB-CD2 4.46Å; I62-L83 HydrophobicContact CD1-CD2 4.02Å; I62-L83 HydrophobicContact CG1-CD2 4.1Å; I62-L83 HydrophobicContact CG2-CD2 3.62Å
63F91.1Very high92.7Very high86 Ų8663.4 Ų63.438%0.37734%0.341SS..EExtended strand (participates in β ladder)trans-85.4148.1177.7-64.9-86.1000110.3K61 Y69 G70 F71 L75K61-F63 HydrophobicContact CB-CE2 4.13Å; K61-F63 HydrophobicContact CB-CZ 4.23Å; K61-F63 HydrophobicContact CD-CD1 4.16Å; K61-F63 HydrophobicContact CD-CE1 3.62Å; K61-F63 HydrophobicContact CD-CE2 4.38Å; K61-F63 HydrophobicContact CD-CZ 3.75Å; K61-F63 HydrophobicContact CG-CD1 4.45Å; K61-F63 HydrophobicContact CG-CD2 4.45Å; K61-F63 HydrophobicContact CG-CE1 4.21Å; K61-F63 HydrophobicContact CG-CE2 4.19Å; K61-F63 HydrophobicContact CG-CZ 4.07Å; F63-Y69 VanDerWaalsContact O-CA 3.3Å; F63-Y69 WeakPolarHBondContact O-CA 3.45Å; F63-G70 PolarHBondContact N-O 3.48Å; F63-G70 PolarHBondContact O-N 2.9Å; F63-F71 WeakPolarHBondContact CD2-O 3.21Å; F63-F71 WeakPolarHBondContact CE2-O 3.46Å; F63-L75 HydrophobicContact CB-CD1 4.31Å; F63-L75 HydrophobicContact CB-CD2 4.06Å
64H91.1Very high92.4Very high72 Ų7265.9 Ų65.933%0.33336%0.363SS..EExtended strand (participates in β ladder)trans-126.6125.3173.4174.6-126.5000110.4G45 K68 Y69G45-H64 WeakPolarHBondContact O-CB 3.13Å; H64-K68 WeakPolarHBondContact CA-O 3.24Å; H64-K68 PolarHBondContact CD2-O 2.84Å; H64-Y69 HydrophobicContact CB-CD1 3.9Å; H64-Y69 HydrophobicContact CB-CE1 3.66Å; H64-Y69 AromaticContact CD2-CD1 3.99Å; H64-Y69 AromaticContact CD2-CE1 3.45Å; H64-Y69 VanDerWaalsContact CD2-CE1 3.45Å; H64-Y69 WeakPolarHBondContact CD2-CE1 3.38Å; H64-Y69 AromaticContact CD2-CE2 3.85Å; H64-Y69 AromaticContact CD2-CZ 3.38Å; H64-Y69 AromaticContact CG-CE1 3.61Å; H64-Y69 AromaticContact CG-CZ 3.93Å; H64-Y69 AromaticContact NE2-CZ 3.88Å
65R90.1Very high92.3Very high161 Ų16164.6 Ų64.661%0.60834%0.344SS*.EExtended strand (participates in β ladder)trans-153135.8175.7-178-178.2171.6169.65.2110.1G67 K68 L75R65-G67 PolarHBondContact O-N 3.35Å; R65-G67 VanDerWaalsContact O-N 3.13Å; R65-K68 PolarHBondContact N-O 3.36Å; R65-K68 WeakPolarHBondContact O-CA 3.46Å; R65-K68 WeakPolarHBondContact O-CB 3.31Å; R65-K68 PolarHBondContact O-N 3.09Å; R65-L75 HydrophobicContact CB-CD1 3.64Å
66D89.8Confident92.3Very high140 Ų14066.6 Ų66.675%0.74935%0.348SS*.THydrogen-bonded Turntrans51.936.2175.7-55.9-39.3000113.7K68D66-K68 VanDerWaalsContact C-N 3.25Å; D66-K68 PolarHBondContact O-N 3.44Å
67G88.6Confident92.3Very high42 Ų4263.2 Ų63.243%0.43333%0.329SS..THydrogen-bonded Turntrans74.410.6-178.300000114.7R65R65-G67 PolarHBondContact O-N 3.35Å; R65-G67 VanDerWaalsContact O-N 3.13Å
68K93.4Very high92.2Very high70 Ų7066 Ų6630%0.30434%0.344SS..EExtended strand (participates in β ladder)trans-113149.7178.3-64.6-66.3-167.6168.40111.8H64 R65 D66 L75 T76 F77 N78H64-K68 WeakPolarHBondContact CA-O 3.24Å; H64-K68 PolarHBondContact CD2-O 2.84Å; R65-K68 PolarHBondContact N-O 3.36Å; R65-K68 WeakPolarHBondContact O-CA 3.46Å; R65-K68 WeakPolarHBondContact O-CB 3.31Å; R65-K68 PolarHBondContact O-N 3.09Å; D66-K68 VanDerWaalsContact C-N 3.25Å; D66-K68 PolarHBondContact O-N 3.44Å; K68-L75 HydrophobicContact CB-CB 3.69Å; K68-L75 WeakPolarHBondContact CB-O 3.4Å; K68-L75 WeakPolarHBondContact O-CD1 3.4Å; K68-T76 PolarHBondContact NZ-O 3.4Å; K68-F77 CarbonylContact C-O 3.5Å; K68-F77 VanDerWaalsContact CA-O 3.24Å; K68-F77 WeakPolarHBondContact CA-O 3.38Å; K68-F77 WeakPolarHBondContact CD-O 3.49Å; K68-N78 PolarHBondContact NZ-OD1 3.43Å
69Y93.6Very high92.1Very high39 Ų3964 Ų6415%0.15334%0.339CS..EExtended strand (participates in β ladder)trans-123151.3-179.1-61.2-90.1000111.6Y47 I62 F63 H64 T76 F77 V80Y47-Y69 HydrophobicContact CD2-CE1 4.49Å; Y47-Y69 HydrophobicContact CE2-CE1 4.04Å; I62-Y69 HydrophobicContact CG2-CD1 4.26Å; F63-Y69 VanDerWaalsContact O-CA 3.3Å; F63-Y69 WeakPolarHBondContact O-CA 3.45Å; H64-Y69 HydrophobicContact CB-CD1 3.9Å; H64-Y69 HydrophobicContact CB-CE1 3.66Å; H64-Y69 AromaticContact CD2-CD1 3.99Å; H64-Y69 AromaticContact CD2-CE1 3.45Å; H64-Y69 VanDerWaalsContact CD2-CE1 3.45Å; H64-Y69 WeakPolarHBondContact CD2-CE1 3.38Å; H64-Y69 AromaticContact CD2-CE2 3.85Å; H64-Y69 AromaticContact CD2-CZ 3.38Å; H64-Y69 AromaticContact CG-CE1 3.61Å; H64-Y69 AromaticContact CG-CZ 3.93Å; H64-Y69 AromaticContact NE2-CZ 3.88Å; Y69-T76 PolarHBondContact O-N 2.97Å; Y69-F77 PolarHBondContact N-O 3.04Å; Y69-F77 WeakPolarHBondContact O-CD2 3.39Å; Y69-F77 PolarHBondContact O-N 3.23Å; Y69-V80 HydrophobicContact CD1-CG2 3.63Å; Y69-V80 HydrophobicContact CE1-CG2 3.81Å; Y69-V80 HydrophobicContact CG-CG2 4.11Å
70G93.6Very high92.1Very high3 Ų360.1 Ų60.13%0.03132%0.32CS..EExtended strand (participates in β ladder)trans176.4172.517700000113.3F63F63-G70 PolarHBondContact N-O 3.48Å; F63-G70 PolarHBondContact O-N 2.9Å
71F92.8Very high92.1Very high9 Ų960 Ų604%0.03932%0.319CS..SBendtrans-88.8-21.3176.7-55.8-46.3000113.4L49 I60 I62 F63 L83 Y87 L92 Y95L49-F71 HydrophobicContact CD2-CE1 3.84Å; L49-F71 HydrophobicContact CD2-CZ 3.64Å; I60-F71 HydrophobicContact CG2-CB 4.11Å; I60-F71 HydrophobicContact CG2-CD1 3.43Å; I60-F71 VanDerWaalsContact CG2-CD1 3.43Å; I60-F71 HydrophobicContact CG2-CD2 4.5Å; I60-F71 HydrophobicContact CG2-CE1 3.89Å; I60-F71 HydrophobicContact CG2-CG 3.78Å; I62-F71 HydrophobicContact CD1-CE1 4.41Å; I62-F71 HydrophobicContact CG1-CD1 4.14Å; I62-F71 HydrophobicContact CG1-CE1 3.86Å; F63-F71 WeakPolarHBondContact CD2-O 3.21Å; F63-F71 WeakPolarHBondContact CE2-O 3.46Å; F71-L83 HydrophobicContact CD1-CD2 4.3Å; F71-L83 HydrophobicContact CD2-CD1 4.46Å; F71-L83 HydrophobicContact CE1-CD1 4.41Å; F71-L83 HydrophobicContact CE1-CD2 3.83Å; F71-L83 HydrophobicContact CE1-CG 4.34Å; F71-L83 HydrophobicContact CE2-CD1 4.1Å; F71-L83 HydrophobicContact CZ-CD1 4.06Å; F71-L83 HydrophobicContact CZ-CD2 4.15Å; F71-L83 HydrophobicContact CZ-CG 4.15Å; F71-Y87 HydrophobicContact CD2-CD2 4.49Å; F71-Y87 AromaticContact CD2-CE2 3.89Å; F71-Y87 HydrophobicContact CD2-CE2 3.89Å; F71-Y87 HydrophobicContact CE2-CD1 4.47Å; F71-Y87 AromaticContact CE2-CD2 3.52Å; F71-Y87 HydrophobicContact CE2-CD2 3.52Å; F71-Y87 HydrophobicContact CE2-CE1 4.25Å; F71-Y87 AromaticContact CE2-CE2 3.33Å; F71-Y87 HydrophobicContact CE2-CE2 3.33Å; F71-Y87 HydrophobicContact CE2-CG 4.12Å; F71-Y87 AromaticContact CE2-CZ 3.72Å; F71-Y87 HydrophobicContact CZ-CD2 4.05Å; F71-Y87 HydrophobicContact CZ-CE2 4.22Å; F71-L92 HydrophobicContact CD2-CD2 4.16Å; F71-L92 HydrophobicContact CE2-CD2 3.43Å; F71-L92 VanDerWaalsContact CE2-CD2 3.43Å; F71-L92 HydrophobicContact CZ-CD2 4.11Å; F71-Y95 HydrophobicContact CB-CD1 4.43Å; F71-Y95 HydrophobicContact CB-CD2 3.6Å; F71-Y95 HydrophobicContact CB-CE1 4.28Å; F71-Y95 HydrophobicContact CB-CE2 3.4Å; F71-Y95 HydrophobicContact CB-CG 4.11Å; F71-Y95 HydrophobicContact CD2-CD1 4.17Å; F71-Y95 HydrophobicContact CD2-CD2 4.23Å; F71-Y95 AromaticContact CD2-CG 3.93Å; F71-Y95 HydrophobicContact CD2-CG 3.93Å; F71-Y95 HydrophobicContact CG-CD2 4.39Å; F71-Y95 HydrophobicContact CG-CE2 4.46Å; F71-Y95 HydrophobicContact CG-CG 4.46Å
72S88.8Confident92.2Very high64 Ų6459.1 Ų59.145%0.44832%0.316SS..SBendtrans-160161.4177.254.60000109.6P74S72-P74 CarbonylContact O-C 3.47Å
73D85.4Confident92.3Very high123 Ų12359.1 Ų59.166%0.65832%0.316SS*.SBendtrans-64.2141.9173.3-74.8-56.7000111.8
74P89.8Confident92.6Very high106 Ų10655 Ų5569%0.68830%0.298SS*.SBendcis-77.8140.6-3.531.7-34.1000113.1S72 T76S72-P74 CarbonylContact O-C 3.47Å; P74-T76 HydrophobicContact CG-CG2 4.44Å; P74-T76 PolarHBondContact O-N 3.25Å
75L92.4Very high92.7Very high25 Ų2552.7 Ų52.713%0.13129%0.288CS..  trans-76.1112.3173.7-50-173000110.5F63 R65 K68F63-L75 HydrophobicContact CB-CD1 4.31Å; F63-L75 HydrophobicContact CB-CD2 4.06Å; R65-L75 HydrophobicContact CB-CD1 3.64Å; K68-L75 HydrophobicContact CB-CB 3.69Å; K68-L75 WeakPolarHBondContact CB-O 3.4Å; K68-L75 WeakPolarHBondContact O-CD1 3.4Å
76T93.9Very high93Very high83 Ų8347.4 Ų47.451%0.50927%0.27SS..  trans-104.2-25.2-170.250.10000114.3K68 Y69 P74K68-T76 PolarHBondContact NZ-O 3.4Å; Y69-T76 PolarHBondContact O-N 2.97Å; P74-T76 HydrophobicContact CG-CG2 4.44Å; P74-T76 PolarHBondContact O-N 3.25Å
77F94.4Very high93.3Very high22 Ų2241.6 Ų41.610%0.09624%0.238CC..BIsolated β-bridgetrans-88.3145.7-170.6-57.6-84.2000112.2K68 Y69 E82 L83 H86 Y87K68-F77 CarbonylContact C-O 3.5Å; K68-F77 VanDerWaalsContact CA-O 3.24Å; K68-F77 WeakPolarHBondContact CA-O 3.38Å; K68-F77 WeakPolarHBondContact CD-O 3.49Å; Y69-F77 PolarHBondContact N-O 3.04Å; Y69-F77 WeakPolarHBondContact O-CD2 3.39Å; Y69-F77 PolarHBondContact O-N 3.23Å; F77-E82 HydrophobicContact CD1-CG 4.07Å; F77-L83 HydrophobicContact CB-CB 4.05Å; F77-L83 HydrophobicContact CD1-CB 4.33Å; F77-L83 HydrophobicContact CD2-CB 4.11Å; F77-L83 HydrophobicContact CD2-CD1 3.33Å; F77-L83 HydrophobicContact CD2-CG 4.3Å; F77-L83 HydrophobicContact CE2-CD1 3.35Å; F77-L83 HydrophobicContact CG-CB 3.89Å; F77-L83 HydrophobicContact CG-CD1 3.99Å; F77-L83 HydrophobicContact CZ-CD1 4.04Å; F77-H86 HydrophobicContact CE1-CB 3.59Å; F77-H86 AromaticContact CE1-CD2 4Å; F77-H86 AromaticContact CE1-CG 3.62Å; F77-H86 HydrophobicContact CZ-CB 4.07Å; F77-H86 AromaticContact CZ-CD2 3.68Å; F77-H86 AromaticContact CZ-CG 3.81Å; F77-Y87 HydrophobicContact CE2-CE2 4.21Å; F77-Y87 HydrophobicContact CZ-CE2 4.12Å
78N94.1Very high93.6Very high94 Ų9442.7 Ų42.750%0.50323%0.229SC..SBendtrans-87.3-16.8-179.8-53.7-73.6000113K68 E82K68-N78 PolarHBondContact NZ-OD1 3.43Å; N78-E82 VanDerWaalsContact CB-OE2 3.31Å; N78-E82 WeakPolarHBondContact CB-OE2 3.49Å; N78-E82 PolarHBondContact N-OE2 3.43Å; N78-E82 PolarHBondContact ND2-OE2 3.36Å
79S93.8Very high93.6Very high37 Ų3743.9 Ų43.926%0.25924%0.239SC..SBendtrans-149.9160.1175.771.50000111.5V81 E82 L83S79-V81 PolarHBondContact O-N 3.23Å; S79-V81 PolarHBondContact OG-N 3.49Å; S79-E82 PolarHBondContact O-N 3.01Å; S79-E82 WeakPolarHBondContact OG-CB 3.34Å; S79-E82 PolarHBondContact OG-N 2.87Å; S79-L83 PolarHBondContact O-N 3.01Å
80V94.5Very high93.7Very high4 Ų446.2 Ų46.22%0.02425%0.251CS..Hα-helixtrans-61.6-34.4171.2-177.90000111L7 W12 V36 Y47 I62 Y69 L83 I84L7-V80 HydrophobicContact CD1-CB 4.04Å; L7-V80 HydrophobicContact CD1-CG1 4.02Å; L7-V80 HydrophobicContact CD2-CB 4.5Å; L7-V80 HydrophobicContact CD2-CG2 4.44Å; W12-V80 HydrophobicContact CH2-CG1 3.92Å; W12-V80 HydrophobicContact CZ3-CG1 4.05Å; V36-V80 HydrophobicContact CG1-CG1 4.49Å; Y47-V80 HydrophobicContact CD2-CG2 3.57Å; Y47-V80 HydrophobicContact CE2-CG2 3.64Å; Y47-V80 HydrophobicContact CG-CG2 4.44Å; I62-V80 HydrophobicContact CD1-CG1 3.94Å; I62-V80 HydrophobicContact CG2-CG2 4.4Å; Y69-V80 HydrophobicContact CD1-CG2 3.63Å; Y69-V80 HydrophobicContact CE1-CG2 3.81Å; Y69-V80 HydrophobicContact CG-CG2 4.11Å; V80-L83 WeakPolarHBondContact O-CB 3.3Å; V80-L83 PolarHBondContact O-N 3.34Å; V80-I84 HydrophobicContact CG1-CG1 4.21Å; V80-I84 WeakPolarHBondContact O-CG1 3.23Å; V80-I84 PolarHBondContact O-N 3.34Å
81V95.4Very high93.7Very high4 Ų447.3 Ų47.32%0.02426%0.258CS..Hα-helixtrans-64.1-43.8177.6176.50000110.9M5 L7 W12 S79 I84 N85M5-V81 HydrophobicContact CB-CG1 4.4Å; L7-V81 HydrophobicContact CB-CG2 4.47Å; L7-V81 HydrophobicContact CD1-CG2 4.42Å; W12-V81 HydrophobicContact CH2-CG2 4.23Å; W12-V81 HydrophobicContact CZ2-CG2 4.18Å; S79-V81 PolarHBondContact O-N 3.23Å; S79-V81 PolarHBondContact OG-N 3.49Å; V81-I84 PolarHBondContact O-N 3.07Å; V81-N85 VanDerWaalsContact O-CB 3.27Å; V81-N85 WeakPolarHBondContact O-CB 3.43Å; V81-N85 PolarHBondContact O-N 3.48Å; V81-N85 PolarHBondContact O-ND2 2.97Å
82E95.8Very high93.8Very high58 Ų5846.9 Ų46.927%0.27126%0.256SS..Hα-helixtrans-61.7-47.4175.1-167.3-174.4178.900111.1F77 N78 S79 I84 N85 H86F77-E82 HydrophobicContact CD1-CG 4.07Å; N78-E82 VanDerWaalsContact CB-OE2 3.31Å; N78-E82 WeakPolarHBondContact CB-OE2 3.49Å; N78-E82 PolarHBondContact N-OE2 3.43Å; N78-E82 PolarHBondContact ND2-OE2 3.36Å; S79-E82 PolarHBondContact O-N 3.01Å; S79-E82 WeakPolarHBondContact OG-CB 3.34Å; S79-E82 PolarHBondContact OG-N 2.87Å; E82-I84 PolarHBondContact O-N 3.35Å; E82-N85 PolarHBondContact O-N 3.28Å; E82-H86 WeakPolarHBondContact O-CB 3.48Å; E82-H86 PolarHBondContact O-N 3.25Å
83L95.9Very high94Very high0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-55.2-52.8175.7173.170.1000111.6I62 F71 F77 S79 V80 H86 Y87I62-L83 HydrophobicContact CB-CD2 4.46Å; I62-L83 HydrophobicContact CD1-CD2 4.02Å; I62-L83 HydrophobicContact CG1-CD2 4.1Å; I62-L83 HydrophobicContact CG2-CD2 3.62Å; F71-L83 HydrophobicContact CD1-CD2 4.3Å; F71-L83 HydrophobicContact CD2-CD1 4.46Å; F71-L83 HydrophobicContact CE1-CD1 4.41Å; F71-L83 HydrophobicContact CE1-CD2 3.83Å; F71-L83 HydrophobicContact CE1-CG 4.34Å; F71-L83 HydrophobicContact CE2-CD1 4.1Å; F71-L83 HydrophobicContact CZ-CD1 4.06Å; F71-L83 HydrophobicContact CZ-CD2 4.15Å; F71-L83 HydrophobicContact CZ-CG 4.15Å; F77-L83 HydrophobicContact CB-CB 4.05Å; F77-L83 HydrophobicContact CD1-CB 4.33Å; F77-L83 HydrophobicContact CD2-CB 4.11Å; F77-L83 HydrophobicContact CD2-CD1 3.33Å; F77-L83 HydrophobicContact CD2-CG 4.3Å; F77-L83 HydrophobicContact CE2-CD1 3.35Å; F77-L83 HydrophobicContact CG-CB 3.89Å; F77-L83 HydrophobicContact CG-CD1 3.99Å; F77-L83 HydrophobicContact CZ-CD1 4.04Å; S79-L83 PolarHBondContact O-N 3.01Å; V80-L83 WeakPolarHBondContact O-CB 3.3Å; V80-L83 PolarHBondContact O-N 3.34Å; L83-H86 WeakPolarHBondContact O-CB 3.47Å; L83-H86 PolarHBondContact O-N 3.45Å; L83-Y87 HydrophobicContact CD1-CD2 3.86Å; L83-Y87 HydrophobicContact CD1-CE2 3.58Å; L83-Y87 HydrophobicContact CG-CD2 4.49Å; L83-Y87 VanDerWaalsContact O-CD2 3.27Å; L83-Y87 WeakPolarHBondContact O-CD2 3.3Å; L83-Y87 PolarHBondContact O-N 3.37Å
84I96.6Very high94.2Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-63.7-48.1-178.9-66.7-58.4000110.5W12 F34 V36 L49 V80 V81 E82 H86 Y87 R88 L103W12-I84 HydrophobicContact CD2-CG2 4.11Å; W12-I84 HydrophobicContact CE3-CG1 4.28Å; W12-I84 HydrophobicContact CH2-CB 3.93Å; W12-I84 HydrophobicContact CH2-CG1 3.56Å; W12-I84 HydrophobicContact CH2-CG2 4.33Å; W12-I84 HydrophobicContact CZ2-CB 3.71Å; W12-I84 HydrophobicContact CZ2-CG1 3.89Å; W12-I84 HydrophobicContact CZ2-CG2 3.78Å; W12-I84 HydrophobicContact CZ3-CG1 3.78Å; F34-I84 HydrophobicContact CE2-CG2 3.65Å; F34-I84 HydrophobicContact CZ-CG2 3.98Å; V36-I84 HydrophobicContact CG2-CD1 3.81Å; V36-I84 HydrophobicContact CG2-CG1 4.12Å; L49-I84 HydrophobicContact CD1-CD1 4.03Å; L49-I84 HydrophobicContact CD2-CD1 4.18Å; V80-I84 HydrophobicContact CG1-CG1 4.21Å; V80-I84 WeakPolarHBondContact O-CG1 3.23Å; V80-I84 PolarHBondContact O-N 3.34Å; V81-I84 PolarHBondContact O-N 3.07Å; E82-I84 PolarHBondContact O-N 3.35Å; I84-H86 VanDerWaalsContact C-N 3.26Å; I84-H86 PolarHBondContact O-N 2.98Å; I84-Y87 CarbonylContact O-C 3.59Å; I84-Y87 PolarHBondContact O-N 3.07Å; I84-Y87 VanDerWaalsContact O-N 3.09Å; I84-R88 HydrophobicContact CG2-CG 4.22Å; I84-R88 WeakPolarHBondContact O-CG 3.43Å; I84-R88 PolarHBondContact O-N 2.95Å; I84-L103 HydrophobicContact CB-CD1 4.46Å; I84-L103 HydrophobicContact CD1-CD1 3.72Å; I84-L103 HydrophobicContact CG2-CD1 3.97Å
85N95Very high94.2Very high22 Ų2243 Ų4312%0.11822%0.22CC..Hα-helixtrans-60.2-34.5-179.7-74.8-21.7000113V81 E82 R88 N89V81-N85 VanDerWaalsContact O-CB 3.27Å; V81-N85 WeakPolarHBondContact O-CB 3.43Å; V81-N85 PolarHBondContact O-N 3.48Å; V81-N85 PolarHBondContact O-ND2 2.97Å; E82-N85 PolarHBondContact O-N 3.28Å; N85-R88 PolarHBondContact O-N 3.23Å; N85-N89 PolarHBondContact O-ND2 3.44Å
86H95.5Very high94.1Very high51 Ų5144.4 Ų44.424%0.23623%0.228CC..Hα-helixtrans-58-54.5171.4-176.677.2000111.1F77 E82 L83 I84 R88 N89 E90 Q94F77-H86 HydrophobicContact CE1-CB 3.59Å; F77-H86 AromaticContact CE1-CD2 4Å; F77-H86 AromaticContact CE1-CG 3.62Å; F77-H86 HydrophobicContact CZ-CB 4.07Å; F77-H86 AromaticContact CZ-CD2 3.68Å; F77-H86 AromaticContact CZ-CG 3.81Å; E82-H86 WeakPolarHBondContact O-CB 3.48Å; E82-H86 PolarHBondContact O-N 3.25Å; L83-H86 WeakPolarHBondContact O-CB 3.47Å; L83-H86 PolarHBondContact O-N 3.45Å; I84-H86 VanDerWaalsContact C-N 3.26Å; I84-H86 PolarHBondContact O-N 2.98Å; H86-R88 VanDerWaalsContact C-N 3.26Å; H86-R88 PolarHBondContact O-N 2.64Å; H86-N89 PolarHBondContact O-N 3.29Å; H86-E90 IonicContact CD2-OE2 3.06Å; H86-E90 IonicContact CE1-OE1 2.84Å; H86-E90 PolarHBondContact CE1-OE1 2.97Å; H86-E90 IonicContact CE1-OE2 2.7Å; H86-E90 PolarHBondContact CE1-OE2 3.3Å; H86-E90 IonicContact NE2-OE2 3.91Å; H86-E90 PolarHBondContact NE2-OE2 2.87Å; H86-E90 PolarHBondContact O-N 3.19Å; H86-Q94 PolarHBondContact NE2-NE2 3Å; H86-Q94 PolarHBondContact NE2-OE1 2.89Å
87Y96.3Very high94Very high17 Ų1745.7 Ų45.77%0.06724%0.238CC..Hα-helixtrans-76.3-6.1-179.6-71.4-77.1000114.8F71 F77 L83 I84 N89 E90 L92 Q94 L103F71-Y87 HydrophobicContact CD2-CD2 4.49Å; F71-Y87 AromaticContact CD2-CE2 3.89Å; F71-Y87 HydrophobicContact CD2-CE2 3.89Å; F71-Y87 HydrophobicContact CE2-CD1 4.47Å; F71-Y87 AromaticContact CE2-CD2 3.52Å; F71-Y87 HydrophobicContact CE2-CD2 3.52Å; F71-Y87 HydrophobicContact CE2-CE1 4.25Å; F71-Y87 AromaticContact CE2-CE2 3.33Å; F71-Y87 HydrophobicContact CE2-CE2 3.33Å; F71-Y87 HydrophobicContact CE2-CG 4.12Å; F71-Y87 AromaticContact CE2-CZ 3.72Å; F71-Y87 HydrophobicContact CZ-CD2 4.05Å; F71-Y87 HydrophobicContact CZ-CE2 4.22Å; F77-Y87 HydrophobicContact CE2-CE2 4.21Å; F77-Y87 HydrophobicContact CZ-CE2 4.12Å; L83-Y87 HydrophobicContact CD1-CD2 3.86Å; L83-Y87 HydrophobicContact CD1-CE2 3.58Å; L83-Y87 HydrophobicContact CG-CD2 4.49Å; L83-Y87 VanDerWaalsContact O-CD2 3.27Å; L83-Y87 WeakPolarHBondContact O-CD2 3.3Å; L83-Y87 PolarHBondContact O-N 3.37Å; I84-Y87 CarbonylContact O-C 3.59Å; I84-Y87 PolarHBondContact O-N 3.07Å; I84-Y87 VanDerWaalsContact O-N 3.09Å; Y87-N89 VanDerWaalsContact C-N 3.32Å; Y87-E90 CarbonylContact C-O 3.49Å; Y87-E90 WeakPolarHBondContact CA-O 3.47Å; Y87-L92 HydrophobicContact CD1-CB 4.42Å; Y87-L92 HydrophobicContact CD1-CD2 3.45Å; Y87-L92 VanDerWaalsContact CD1-CD2 3.45Å; Y87-L92 HydrophobicContact CD1-CG 3.74Å; Y87-L92 HydrophobicContact CD2-CD2 4.45Å; Y87-L92 HydrophobicContact CE1-CD2 3.69Å; Y87-L92 HydrophobicContact CE1-CG 4.29Å; Y87-L92 HydrophobicContact CG-CD2 3.85Å; Y87-L92 HydrophobicContact CG-CG 4.3Å; Y87-Q94 HydrophobicContact CD1-CG 4.49Å; Y87-Q94 VanDerWaalsContact CE1-CD 3.49Å; Y87-Q94 HydrophobicContact CE1-CG 3.46Å; Y87-Q94 VanDerWaalsContact CE1-CG 3.46Å; Y87-Q94 VanDerWaalsContact CE1-NE2 3.25Å; Y87-L103 PolarHBondContact O-N 3.04Å
88R95.4Very high93.8Very high65 Ų6553.4 Ų53.425%0.24527%0.271CS..Hα-helixtrans-70.6-33.3162.4-66-168.679.5169.72.5111.1E11 F34 I84 N85 H86 L103 P106E11-R88 IonicContact OE1-NH1 3.99Å; E11-R88 PolarHBondContact OE1-NH1 2.98Å; F34-R88 HydrophobicContact CZ-CG 4.36Å; I84-R88 HydrophobicContact CG2-CG 4.22Å; I84-R88 WeakPolarHBondContact O-CG 3.43Å; I84-R88 PolarHBondContact O-N 2.95Å; N85-R88 PolarHBondContact O-N 3.23Å; H86-R88 VanDerWaalsContact C-N 3.26Å; H86-R88 PolarHBondContact O-N 2.64Å; R88-L103 HydrophobicContact CG-CB 3.89Å; R88-L103 WeakPolarHBondContact CG-O 3.46Å; R88-P106 VanDerWaalsContact NH2-CD 3.32Å
89N93.3Very high93.7Very high96 Ų9649.6 Ų49.651%0.51325%0.251SS..Hα-helixtrans-97.3-29.8-177.1-64.6-63.1000112.6N85 H86 Y87 K102N85-N89 PolarHBondContact O-ND2 3.44Å; H86-N89 PolarHBondContact O-N 3.29Å; Y87-N89 VanDerWaalsContact C-N 3.32Å; N89-K102 VanDerWaalsContact O-CE 3.3Å; N89-K102 WeakPolarHBondContact O-CE 3.46Å; N89-K102 PolarHBondContact O-NZ 2.95Å
90E94.3Very high93.7Very high87 Ų8752.7 Ų52.741%0.40727%0.265SS..SBendtrans-113.1151.8179.8-62.4-164.6177.700113.1H86 Y87 Q94H86-E90 IonicContact CD2-OE2 3.06Å; H86-E90 IonicContact CE1-OE1 2.84Å; H86-E90 PolarHBondContact CE1-OE1 2.97Å; H86-E90 IonicContact CE1-OE2 2.7Å; H86-E90 PolarHBondContact CE1-OE2 3.3Å; H86-E90 IonicContact NE2-OE2 3.91Å; H86-E90 PolarHBondContact NE2-OE2 2.87Å; H86-E90 PolarHBondContact O-N 3.19Å; Y87-E90 CarbonylContact C-O 3.49Å; Y87-E90 WeakPolarHBondContact CA-O 3.47Å; E90-Q94 VanDerWaalsContact CB-NE2 3.29Å; E90-Q94 PolarHBondContact OE2-NE2 3.16Å; E90-Q94 PolarHBondContact OE2-OE1 3.38Å
91S94.8Very high93.8Very high26 Ų2653.2 Ų53.218%0.18227%0.268CS..  trans-70.3144178.7-176.50000111.1A93 Q94 D100 V101S91-A93 PolarHBondContact O-N 3.34Å; S91-A93 WeakPolarHBondContact OG-CB 3.39Å; S91-A93 PolarHBondContact OG-N 2.98Å; S91-A93 VanDerWaalsContact OG-N 3.16Å; S91-Q94 WeakPolarHBondContact O-CG 3.36Å; S91-Q94 PolarHBondContact O-N 3.23Å; S91-Q94 PolarHBondContact O-NE2 3.05Å; S91-D100 PolarHBondContact OG-OD1 3.42Å; S91-V101 PolarHBondContact OG-N 3.43Å
92L94.6Very high93.8Very high0 Ų057.3 Ų57.30%029%0.285CS..G310 helixtrans-66.4-7.3168.4-79.7160.8000113L51 F71 Y87 Q94 Y95 N96 L99 V101 L103L51-L92 HydrophobicContact CD2-CD1 3.25Å; F71-L92 HydrophobicContact CD2-CD2 4.16Å; F71-L92 HydrophobicContact CE2-CD2 3.43Å; F71-L92 VanDerWaalsContact CE2-CD2 3.43Å; F71-L92 HydrophobicContact CZ-CD2 4.11Å; Y87-L92 HydrophobicContact CD1-CB 4.42Å; Y87-L92 HydrophobicContact CD1-CD2 3.45Å; Y87-L92 VanDerWaalsContact CD1-CD2 3.45Å; Y87-L92 HydrophobicContact CD1-CG 3.74Å; Y87-L92 HydrophobicContact CD2-CD2 4.45Å; Y87-L92 HydrophobicContact CE1-CD2 3.69Å; Y87-L92 HydrophobicContact CE1-CG 4.29Å; Y87-L92 HydrophobicContact CG-CD2 3.85Å; Y87-L92 HydrophobicContact CG-CG 4.3Å; L92-Q94 PolarHBondContact O-N 2.93Å; L92-Y95 WeakPolarHBondContact O-CB 3.26Å; L92-Y95 PolarHBondContact O-N 3.37Å; L92-N96 PolarHBondContact O-N 3.41Å; L92-L99 CarbonylContact C-O 3.42Å; L92-L99 HydrophobicContact CB-CB 3.99Å; L92-L99 WeakPolarHBondContact CB-O 3.35Å; L92-V101 WeakPolarHBondContact CB-O 3.47Å; L92-V101 HydrophobicContact CD1-CG1 4.5Å; L92-V101 PolarHBondContact N-O 3.19Å; L92-L103 HydrophobicContact CD1-CD2 3.91Å; L92-L103 HydrophobicContact CD1-CG 4.48Å
93A92.8Very high93.9Very high30 Ų3054.6 Ų54.625%0.24827%0.272CS..G310 helixtrans-54.2-31.2172.100000113.3S91 Y95 N96 L99 D100S91-A93 PolarHBondContact O-N 3.34Å; S91-A93 WeakPolarHBondContact OG-CB 3.39Å; S91-A93 PolarHBondContact OG-N 2.98Å; S91-A93 VanDerWaalsContact OG-N 3.16Å; A93-Y95 PolarHBondContact O-N 3.24Å; A93-N96 WeakPolarHBondContact CA-O 3.34Å; A93-N96 CarbonylContact O-C 3.33Å; A93-N96 PolarHBondContact O-N 3.44Å; A93-L99 PolarHBondContact N-O 3.35Å; A93-D100 HydrophobicContact CB-CB 4.15Å
94Q90.1Very high94Very high103 Ų10358.1 Ų58.148%0.48129%0.291SS..G310 helixtrans-63.8-29.4175.770.3-175-65.600112.9H86 Y87 E90 S91 L92H86-Q94 PolarHBondContact NE2-NE2 3Å; H86-Q94 PolarHBondContact NE2-OE1 2.89Å; Y87-Q94 HydrophobicContact CD1-CG 4.49Å; Y87-Q94 VanDerWaalsContact CE1-CD 3.49Å; Y87-Q94 HydrophobicContact CE1-CG 3.46Å; Y87-Q94 VanDerWaalsContact CE1-CG 3.46Å; Y87-Q94 VanDerWaalsContact CE1-NE2 3.25Å; E90-Q94 VanDerWaalsContact CB-NE2 3.29Å; E90-Q94 PolarHBondContact OE2-NE2 3.16Å; E90-Q94 PolarHBondContact OE2-OE1 3.38Å; S91-Q94 WeakPolarHBondContact O-CG 3.36Å; S91-Q94 PolarHBondContact O-N 3.23Å; S91-Q94 PolarHBondContact O-NE2 3.05Å; L92-Q94 PolarHBondContact O-N 2.93Å
95Y89.8Confident94Very high78 Ų7864.1 Ų64.131%0.30632%0.315SS..THydrogen-bonded Turntrans-88-47.3174.5161-110.4000110.9I60 F71 L92 A93 L99I60-Y95 HydrophobicContact CG2-CE1 4.07Å; F71-Y95 HydrophobicContact CB-CD1 4.43Å; F71-Y95 HydrophobicContact CB-CD2 3.6Å; F71-Y95 HydrophobicContact CB-CE1 4.28Å; F71-Y95 HydrophobicContact CB-CE2 3.4Å; F71-Y95 HydrophobicContact CB-CG 4.11Å; F71-Y95 HydrophobicContact CD2-CD1 4.17Å; F71-Y95 HydrophobicContact CD2-CD2 4.23Å; F71-Y95 AromaticContact CD2-CG 3.93Å; F71-Y95 HydrophobicContact CD2-CG 3.93Å; F71-Y95 HydrophobicContact CG-CD2 4.39Å; F71-Y95 HydrophobicContact CG-CE2 4.46Å; F71-Y95 HydrophobicContact CG-CG 4.46Å; L92-Y95 WeakPolarHBondContact O-CB 3.26Å; L92-Y95 PolarHBondContact O-N 3.37Å; A93-Y95 PolarHBondContact O-N 3.24Å; Y95-L99 HydrophobicContact CE1-CD1 4.44Å
96N90.4Very high94.1Very high56 Ų5664.5 Ų64.530%0.29932%0.318SS..  trans-147.1113.8179.9-177.3-19.1000109.9L92 A93 K98 L99L92-N96 PolarHBondContact O-N 3.41Å; A93-N96 WeakPolarHBondContact CA-O 3.34Å; A93-N96 CarbonylContact O-C 3.33Å; A93-N96 PolarHBondContact O-N 3.44Å; N96-K98 PolarHBondContact O-N 2.99Å; N96-K98 WeakPolarHBondContact OD1-CB 3.19Å; N96-K98 PolarHBondContact OD1-N 2.84Å; N96-L99 HydrophobicContact CB-CB 4.49Å; N96-L99 HydrophobicContact CB-CD1 4.23Å; N96-L99 HydrophobicContact CB-CG 4.36Å; N96-L99 WeakPolarHBondContact O-CA 3.46Å; N96-L99 PolarHBondContact O-N 3.44Å
97P91.9Very high94.2Very high110 Ų11063.3 Ų63.371%0.71432%0.315SS*.G310 helixtrans-56.1-23-178.2-28.735.5000115.2L99P97-L99 PolarHBondContact O-N 3.45Å
98K90.4Very high94.1Very high183 Ų18363 Ų6380%0.79632%0.315SS*.G310 helixtrans-74.1-13.6175.6-63.1-175.4178.71800113.4N96N96-K98 PolarHBondContact O-N 2.99Å; N96-K98 WeakPolarHBondContact OD1-CB 3.19Å; N96-K98 PolarHBondContact OD1-N 2.84Å
99L91.8Very high93.9Very high14 Ų1462.7 Ų62.77%0.07332%0.315CS..G310 helixtrans-107.350.9178.1-62.9178.1000110K53 K58 I60 L92 A93 Y95 N96 P97 V101K53-L99 HydrophobicContact CG-CD2 4.49Å; K58-L99 HydrophobicContact CB-CD2 4.32Å; K58-L99 HydrophobicContact CD-CD2 4.39Å; K58-L99 HydrophobicContact CG-CD2 3.85Å; I60-L99 HydrophobicContact CD1-CD1 3.78Å; I60-L99 HydrophobicContact CG1-CD1 4.49Å; L92-L99 CarbonylContact C-O 3.42Å; L92-L99 HydrophobicContact CB-CB 3.99Å; L92-L99 WeakPolarHBondContact CB-O 3.35Å; A93-L99 PolarHBondContact N-O 3.35Å; Y95-L99 HydrophobicContact CE1-CD1 4.44Å; N96-L99 HydrophobicContact CB-CB 4.49Å; N96-L99 HydrophobicContact CB-CD1 4.23Å; N96-L99 HydrophobicContact CB-CG 4.36Å; N96-L99 WeakPolarHBondContact O-CA 3.46Å; N96-L99 PolarHBondContact O-N 3.44Å; P97-L99 PolarHBondContact O-N 3.45Å; L99-V101 PolarHBondContact O-N 3.05Å
100D94.1Very high93.6Very high103 Ų10362.3 Ų62.355%0.55131%0.307SS*.  trans-73.483.6172.6-17025.5000110.8K53 S91 A93K53-D100 PolarHBondContact NZ-O 2.86Å; S91-D100 PolarHBondContact OG-OD1 3.42Å; A93-D100 HydrophobicContact CB-CB 4.15Å
101V95.2Very high92.8Very high15 Ų1563.1 Ų63.19%0.09131%0.311CS..  trans-163.6150.2179.367.70000108.5L51 K53 S91 L92 L99L51-V101 HydrophobicContact CD2-CG1 3.72Å; L51-V101 HydrophobicContact CG-CG1 4.46Å; K53-V101 HydrophobicContact CD-CB 3.92Å; K53-V101 HydrophobicContact CD-CG1 3.95Å; K53-V101 HydrophobicContact CD-CG2 4.36Å; K53-V101 HydrophobicContact CG-CG1 4.41Å; S91-V101 PolarHBondContact OG-N 3.43Å; L92-V101 WeakPolarHBondContact CB-O 3.47Å; L92-V101 HydrophobicContact CD1-CG1 4.5Å; L92-V101 PolarHBondContact N-O 3.19Å; L99-V101 PolarHBondContact O-N 3.05Å
102K96.9Very high91.5Very high89 Ų8968.5 Ų68.539%0.38733%0.333SS..  trans-96.8164.9173.2-57.7-173.1-178.2-171.10110.6G32 N89 L104G32-K102 WeakPolarHBondContact CA-O 3.28Å; N89-K102 VanDerWaalsContact O-CE 3.3Å; N89-K102 WeakPolarHBondContact O-CE 3.46Å; N89-K102 PolarHBondContact O-NZ 2.95Å; K102-L104 VanDerWaalsContact C-N 3.32Å; K102-L104 HydrophobicContact CB-CD2 3.89Å; K102-L104 HydrophobicContact CB-CG 4.18Å; K102-L104 PolarHBondContact O-N 2.96Å
103L97.5Very high90.1Very high1 Ų173.6 Ų73.61%0.00536%0.361CS..  trans-78.982.2169.8-59.8-175.5000109.8F34 L49 L51 I84 Y87 R88 L92F34-L103 HydrophobicContact CB-CD2 4.03Å; F34-L103 HydrophobicContact CD1-CB 3.74Å; F34-L103 HydrophobicContact CD1-CD2 4.18Å; F34-L103 HydrophobicContact CD1-CG 4.48Å; F34-L103 HydrophobicContact CD2-CB 4.48Å; F34-L103 HydrophobicContact CD2-CD1 4.33Å; F34-L103 HydrophobicContact CD2-CD2 4.29Å; F34-L103 HydrophobicContact CE1-CB 3.6Å; F34-L103 HydrophobicContact CE2-CB 4.37Å; F34-L103 HydrophobicContact CE2-CD1 4.29Å; F34-L103 HydrophobicContact CG-CB 4.18Å; F34-L103 HydrophobicContact CG-CD2 3.9Å; F34-L103 HydrophobicContact CG-CG 4.47Å; F34-L103 HydrophobicContact CZ-CB 3.93Å; L49-L103 HydrophobicContact CD1-CD2 4.31Å; L49-L103 HydrophobicContact CD2-CD1 4.24Å; L49-L103 HydrophobicContact CD2-CD2 4.17Å; L51-L103 HydrophobicContact CD1-CD2 3.88Å; L51-L103 HydrophobicContact CD2-CD2 4.27Å; I84-L103 HydrophobicContact CB-CD1 4.46Å; I84-L103 HydrophobicContact CD1-CD1 3.72Å; I84-L103 HydrophobicContact CG2-CD1 3.97Å; Y87-L103 PolarHBondContact O-N 3.04Å; R88-L103 HydrophobicContact CG-CB 3.89Å; R88-L103 WeakPolarHBondContact CG-O 3.46Å; L92-L103 HydrophobicContact CD1-CD2 3.91Å; L92-L103 HydrophobicContact CD1-CG 4.48Å
104L96.8Very high88.6Confident75 Ų7578.3 Ų78.339%0.39338%0.377SS..  trans-82.9-52.6-169.6-64.5174.5000112.4G32 K102 P106G32-L104 PolarHBondContact O-N 3.21Å; K102-L104 VanDerWaalsContact C-N 3.32Å; K102-L104 HydrophobicContact CB-CD2 3.89Å; K102-L104 HydrophobicContact CB-CG 4.18Å; K102-L104 PolarHBondContact O-N 2.96Å; L104-P106 WeakPolarHBondContact O-CD 3.32Å
105Y97.3Very high87.5Confident126 Ų12678.9 Ų78.949%0.49439%0.388SS..EExtended strand (participates in β ladder)trans-118.395-166.2-46.9-65.6000110.7A30 D31 G32 T33 F34 V107A30-Y105 HydrophobicContact CB-CD2 4.34Å; A30-Y105 HydrophobicContact CB-CE2 4.14Å; D31-Y105 WeakPolarHBondContact O-CE2 3.42Å; G32-Y105 PolarHBondContact O-N 3.48Å; G32-Y105 VanDerWaalsContact O-N 3.08Å; T33-Y105 CarbonylContact C-O 3.59Å; T33-Y105 VanDerWaalsContact CA-O 3.26Å; T33-Y105 WeakPolarHBondContact CA-O 3.39Å; F34-Y105 PolarHBondContact N-O 3.21Å; Y105-V107 PolarHBondContact O-N 3Å
106P97Very high86.4Confident30 Ų3078.3 Ų78.320%0.19539%0.392CS..EExtended strand (participates in β ladder)trans-67.2132175.828.1-33.3000109.7E11 W12 F34 R88 L104 S108E11-P106 HydrophobicContact CG-CB 4.16Å; E11-P106 HydrophobicContact CG-CG 4.4Å; E11-P106 VanDerWaalsContact OE1-CG 3.28Å; E11-P106 WeakPolarHBondContact OE1-CG 3.35Å; W12-P106 HydrophobicContact CB-CB 3.83Å; W12-P106 HydrophobicContact CG-CB 4.38Å; F34-P106 HydrophobicContact CE1-CB 3.9Å; F34-P106 HydrophobicContact CZ-CB 3.81Å; R88-P106 VanDerWaalsContact NH2-CD 3.32Å; L104-P106 WeakPolarHBondContact O-CD 3.32Å; P106-S108 PolarHBondContact O-N 3.05Å
107V96.6Very high85.6Confident26 Ų2684.4 Ų84.416%0.15842%0.416CS..  trans-77.1103.1166.9-175.60000107.4W14 K25 L26 T33 F34 L35 Y105W14-V107 HydrophobicContact CZ2-CG1 3.83Å; W14-V107 PolarHBondContact NE1-O 3.36Å; K25-V107 HydrophobicContact CB-CG1 4.28Å; K25-V107 HydrophobicContact CD-CG1 4.38Å; L26-V107 HydrophobicContact CD2-CG2 3.78Å; T33-V107 HydrophobicContact CG2-CG2 3.56Å; F34-V107 PolarHBondContact O-N 2.73Å; L35-V107 HydrophobicContact CB-CB 4.23Å; L35-V107 HydrophobicContact CD2-CB 4.19Å; L35-V107 HydrophobicContact CD2-CG1 4.42Å; L35-V107 HydrophobicContact CD2-CG2 4.35Å; Y105-V107 PolarHBondContact O-N 3Å
108S94.8Very high84.6Confident11 Ų1182.6 Ų82.68%0.07740%0.398CS..  trans-75.2130-176.5-174.60000112.1E11 W14 P106 Y110 Q111E11-S108 CarbonylContact O-C 3.4Å; E11-S108 VanDerWaalsContact O-CA 3.3Å; E11-S108 WeakPolarHBondContact O-CA 3.49Å; W14-S108 WeakPolarHBondContact CZ2-O 3.22Å; P106-S108 PolarHBondContact O-N 3.05Å; S108-Y110 PolarHBondContact O-N 3.41Å; S108-Y110 PolarHBondContact OG-N 3.19Å; S108-Q111 VanDerWaalsContact O-CB 3.23Å; S108-Q111 WeakPolarHBondContact O-CB 3.38Å; S108-Q111 PolarHBondContact O-N 3.38Å
109K91.6Very high83.8Confident57 Ų5781.9 Ų81.925%0.24840%0.403CS..THydrogen-bonded Turntrans-66-22.4170.668.3179.6174.4-171.80113.3Q8 E11 W14 Q111Q8-K109 PolarHBondContact O-NZ 3.08Å; E11-K109 PolarHBondContact O-N 3.21Å; W14-K109 HydrophobicContact CD2-CB 4.26Å; W14-K109 HydrophobicContact CE3-CB 4.43Å; W14-K109 HydrophobicContact CH2-CB 4.23Å; W14-K109 VanDerWaalsContact CZ2-CA 3.47Å; W14-K109 HydrophobicContact CZ2-CB 4.07Å; W14-K109 HydrophobicContact CZ3-CB 4.41Å; K109-Q111 PolarHBondContact O-N 3.19Å
110Y86.2Confident83.6Confident89 Ų8985.4 Ų85.435%0.34942%0.422SS..THydrogen-bonded Turntrans-83.15.4176.1-48.6-66.3000112.8D9 E11 S108 Q112 D113 Q114D9-Y110 PolarHBondContact O-OH 3.22Å; E11-Y110 HydrophobicContact CB-CD2 4.1Å; E11-Y110 HydrophobicContact CB-CE2 4.15Å; S108-Y110 PolarHBondContact O-N 3.41Å; S108-Y110 PolarHBondContact OG-N 3.19Å; Y110-Q112 PolarHBondContact O-N 3.33Å; Y110-D113 WeakPolarHBondContact CD1-OD2 3.27Å; Y110-D113 WeakPolarHBondContact O-CB 3.49Å; Y110-D113 PolarHBondContact O-N 3.3Å; Y110-D113 VanDerWaalsContact O-N 3.16Å; Y110-Q114 PolarHBondContact O-N 3.36Å
111Q78.4Confident83.3Confident104 Ų10487.6 Ų87.649%0.48643%0.432SS..Hα-helixtrans-59.7-32.6178.2-170.966.14000112S108 K109 Q114S108-Q111 VanDerWaalsContact O-CB 3.23Å; S108-Q111 WeakPolarHBondContact O-CB 3.38Å; S108-Q111 PolarHBondContact O-N 3.38Å; K109-Q111 PolarHBondContact O-N 3.19Å; Q111-Q114 PolarHBondContact O-N 3.27Å
112Q67.2Low83.1Confident139 Ų13994.5 Ų94.565%0.6546%0.463SS*.Hα-helixtrans-69.8-36.9176.9-72.2-177.8-18.100112.2Y110 Q114 V115 V116Y110-Q112 PolarHBondContact O-N 3.33Å; Q112-Q114 PolarHBondContact O-N 2.77Å; Q112-V115 PolarHBondContact O-N 2.89Å; Q112-V116 PolarHBondContact O-N 3.03Å
113D65.9Low82.6Confident107 Ų10791.5 Ų91.557%0.57246%0.455SS*.Hα-helixtrans-63-26.6177.2-55.1-15.5000112Y110Y110-D113 WeakPolarHBondContact CD1-OD2 3.27Å; Y110-D113 WeakPolarHBondContact O-CB 3.49Å; Y110-D113 PolarHBondContact O-N 3.3Å; Y110-D113 VanDerWaalsContact O-N 3.16Å
114Q61Low82.1Confident129 Ų12993.7 Ų93.760%0.60347%0.468SS*.Hα-helixtrans-75.5-26.9174.5-63.4-172.911.300113.3Y110 Q111 Q112Y110-Q114 PolarHBondContact O-N 3.36Å; Q111-Q114 PolarHBondContact O-N 3.27Å; Q112-Q114 PolarHBondContact O-N 2.77Å
115V65.9Low81.7Confident115 Ų11592 Ų9270%0.69747%0.468SS*.Hα-helixtrans-88.7-39.5-178.5179.90000110.6Q112Q112-V115 PolarHBondContact O-N 2.89Å
116V68.5Low81.4Confident66 Ų6692.6 Ų92.640%0.447%0.474SS..  trans-100.986.9178.1-173.60000108.7Q112 E118 V124Q112-V116 PolarHBondContact O-N 3.03Å; V116-E118 HydrophobicContact CG1-CB 4.4Å; V116-E118 PolarHBondContact O-N 2.82Å; V116-V124 HydrophobicContact CG1-CB 4.43Å; V116-V124 HydrophobicContact CG1-CG1 4.1Å; V116-V124 HydrophobicContact CG1-CG2 3.57Å
117K72.1Confident81Confident184 Ų18495.3 Ų95.380%0.848%0.482SS*.  trans-74.117.3179.7-59.9-172.6178-176.80114.5
118E72.4Confident80.7Confident72 Ų7299.8 Ų99.834%0.33651%0.505SS..  trans-113.6111.4-168.5-155150.9-150.300109.3V116 N120 A123 V124 K127V116-E118 HydrophobicContact CG1-CB 4.4Å; V116-E118 PolarHBondContact O-N 2.82Å; E118-N120 PolarHBondContact O-N 3.18Å; E118-A123 HydrophobicContact CG-CB 3.83Å; E118-V124 HydrophobicContact CB-CG2 4.18Å; E118-V124 VanDerWaalsContact O-CG2 3.24Å; E118-V124 WeakPolarHBondContact O-CG2 3.32Å; E118-K127 IonicContact OE1-NZ 3.88Å; E118-K127 WeakPolarHBondContact OE2-CD 3.44Å; E118-K127 WeakPolarHBondContact OE2-CE 3.33Å; E118-K127 IonicContact OE2-NZ 2.73Å; E118-K127 PolarHBondContact OE2-NZ 2.93Å
119D73.3Confident80.6Confident168 Ų168105.2 Ų105.290%0.89853%0.529SS*.  trans-79.1-8.7-172.9-56-39000112.8
120N87.3Confident80.7Confident88 Ų88106.4 Ų106.447%0.47154%0.535SS..  trans-91.8114.3179.8-176.4-9.1000111.4E118 E122 A123 V124E118-N120 PolarHBondContact O-N 3.18Å; N120-E122 VanDerWaalsContact C-N 3.25Å; N120-E122 PolarHBondContact O-N 2.93Å; N120-E122 PolarHBondContact OD1-N 3.42Å; N120-A123 HydrophobicContact CB-CB 4.07Å; N120-A123 WeakPolarHBondContact O-CB 3.39Å; N120-A123 PolarHBondContact O-N 3.18Å; N120-V124 WeakPolarHBondContact O-CG2 3.43Å; N120-V124 PolarHBondContact O-N 3.04Å
121I87.5Confident81Confident149 Ų149109.3 Ų109.376%0.76455%0.547SS*.Hα-helixtrans-53.1-39.5178.6-59.7173.2000112.4V124 G125I121-V124 PolarHBondContact O-N 3.02Å; I121-G125 PolarHBondContact O-N 2.9Å
122E90.1Very high81.8Confident160 Ų160107.7 Ų107.775%0.74854%0.541SS*.Hα-helixtrans-67-40.2179.3-66.9-175.4169.200111.8N120 G125 K126N120-E122 VanDerWaalsContact C-N 3.25Å; N120-E122 PolarHBondContact O-N 2.93Å; N120-E122 PolarHBondContact OD1-N 3.42Å; E122-G125 PolarHBondContact O-N 2.94Å; E122-K126 PolarHBondContact O-N 2.81Å
123A86.7Confident83.2Confident25 Ų25103.2 Ų103.221%0.20752%0.524CS..Hα-helixtrans-67.8-41.5177.600000111.3E118 N120 G125 K126 K127E118-A123 HydrophobicContact CG-CB 3.83Å; N120-A123 HydrophobicContact CB-CB 4.07Å; N120-A123 WeakPolarHBondContact O-CB 3.39Å; N120-A123 PolarHBondContact O-N 3.18Å; A123-G125 VanDerWaalsContact C-N 3.35Å; A123-K126 PolarHBondContact O-N 2.86Å; A123-K127 PolarHBondContact O-N 3.08Å
124V87.4Confident84.6Confident48 Ų48103.2 Ų103.229%0.29152%0.52SS..Hα-helixtrans-60.8-44.6172.6177.50000110.8V116 E118 N120 I121 K126 K127 L128V116-V124 HydrophobicContact CG1-CB 4.43Å; V116-V124 HydrophobicContact CG1-CG1 4.1Å; V116-V124 HydrophobicContact CG1-CG2 3.57Å; E118-V124 HydrophobicContact CB-CG2 4.18Å; E118-V124 VanDerWaalsContact O-CG2 3.24Å; E118-V124 WeakPolarHBondContact O-CG2 3.32Å; N120-V124 WeakPolarHBondContact O-CG2 3.43Å; N120-V124 PolarHBondContact O-N 3.04Å; I121-V124 PolarHBondContact O-N 3.02Å; V124-K126 VanDerWaalsContact C-N 3.33Å; V124-K126 PolarHBondContact O-N 2.87Å; V124-K127 PolarHBondContact O-N 2.97Å; V124-L128 WeakPolarHBondContact O-CB 3.28Å; V124-L128 PolarHBondContact O-N 2.82Å
125G88.8Confident86.3Confident38 Ų38104 Ų10439%0.39252%0.522SS..Hα-helixtrans-59.9-41.2176.700000112.7I121 E122 A123 L128 H129I121-G125 PolarHBondContact O-N 2.9Å; E122-G125 PolarHBondContact O-N 2.94Å; A123-G125 VanDerWaalsContact C-N 3.35Å; G125-L128 PolarHBondContact O-N 2.89Å; G125-H129 PolarHBondContact O-N 3.02Å
126K90.9Very high87.7Confident139 Ų139103.1 Ų103.160%0.60451%0.51SS*.Hα-helixtrans-64.4-47.3175.2-171.4-176.7177.3-168.60111.9E122 A123 V124 L128 H129 E130E122-K126 PolarHBondContact O-N 2.81Å; A123-K126 PolarHBondContact O-N 2.86Å; V124-K126 VanDerWaalsContact C-N 3.33Å; V124-K126 PolarHBondContact O-N 2.87Å; K126-L128 VanDerWaalsContact C-N 3.32Å; K126-L128 PolarHBondContact O-N 2.98Å; K126-H129 WeakPolarHBondContact O-CB 3.44Å; K126-H129 PolarHBondContact O-N 3.12Å; K126-E130 VanDerWaalsContact CE-OE1 3.23Å; K126-E130 WeakPolarHBondContact CE-OE1 3.46Å; K126-E130 WeakPolarHBondContact O-CG 3.42Å; K126-E130 PolarHBondContact O-N 3.44Å
127K88.6Confident89.1Confident88 Ų88105 Ų10538%0.38351%0.514SS..Hα-helixtrans-61.4-40.5176.1-78.1-173.3173.5167.40112.2E118 A123 V124 H129 E130 Y131E118-K127 IonicContact OE1-NZ 3.88Å; E118-K127 WeakPolarHBondContact OE2-CD 3.44Å; E118-K127 WeakPolarHBondContact OE2-CE 3.33Å; E118-K127 IonicContact OE2-NZ 2.73Å; E118-K127 PolarHBondContact OE2-NZ 2.93Å; A123-K127 PolarHBondContact O-N 3.08Å; V124-K127 PolarHBondContact O-N 2.97Å; K127-H129 VanDerWaalsContact C-N 3.3Å; K127-H129 PolarHBondContact O-N 3.45Å; K127-E130 PolarHBondContact O-N 3.03Å; K127-Y131 HydrophobicContact CB-CD2 4.36Å; K127-Y131 HydrophobicContact CB-CE2 4.28Å; K127-Y131 WeakPolarHBondContact O-CD2 3.48Å; K127-Y131 PolarHBondContact O-N 2.99Å
128L90.6Very high90.3Very high120 Ų120102.6 Ų102.663%0.62850%0.504SS*.Hα-helixtrans-58.5-44.4175.3178.763000111V124 G125 K126 N132V124-L128 WeakPolarHBondContact O-CB 3.28Å; V124-L128 PolarHBondContact O-N 2.82Å; G125-L128 PolarHBondContact O-N 2.89Å; K126-L128 VanDerWaalsContact C-N 3.32Å; K126-L128 PolarHBondContact O-N 2.98Å; L128-N132 WeakPolarHBondContact O-CB 3.44Å; L128-N132 PolarHBondContact O-N 3.36Å
129H93.2Very high91.5Very high124 Ų124101.4 Ų101.457%0.57450%0.504SS*.Hα-helixtrans-62.2-45.4175.5-179.573.4000112.2G125 K126 K127 N132 T133G125-H129 PolarHBondContact O-N 3.02Å; K126-H129 WeakPolarHBondContact O-CB 3.44Å; K126-H129 PolarHBondContact O-N 3.12Å; K127-H129 VanDerWaalsContact C-N 3.3Å; K127-H129 PolarHBondContact O-N 3.45Å; H129-N132 PolarHBondContact O-N 3.46Å; H129-T133 PolarHBondContact O-N 3.33Å; H129-T133 PolarHBondContact O-OG1 3.45Å; H129-T133 VanDerWaalsContact O-OG1 3.05Å
130E92.9Very high92.7Very high83 Ų8399.6 Ų99.639%0.38848%0.484SS..Hα-helixtrans-60-48.6177.4-71171.2-173.600111.8K126 K127 T133 Q134K126-E130 VanDerWaalsContact CE-OE1 3.23Å; K126-E130 WeakPolarHBondContact CE-OE1 3.46Å; K126-E130 WeakPolarHBondContact O-CG 3.42Å; K126-E130 PolarHBondContact O-N 3.44Å; K127-E130 PolarHBondContact O-N 3.03Å; E130-T133 PolarHBondContact O-N 3.02Å; E130-Q134 WeakPolarHBondContact O-CG 3.43Å; E130-Q134 PolarHBondContact O-N 3.15Å; E130-Q134 VanDerWaalsContact O-N 3.07Å
131Y92.3Very high93.2Very high150 Ų15099.6 Ų99.659%0.58848%0.482SS*.Hα-helixtrans-64.5-40.2177.4-75.6-55.7000112.6K127 T133 Q134 F135K127-Y131 HydrophobicContact CB-CD2 4.36Å; K127-Y131 HydrophobicContact CB-CE2 4.28Å; K127-Y131 WeakPolarHBondContact O-CD2 3.48Å; K127-Y131 PolarHBondContact O-N 2.99Å; Y131-T133 VanDerWaalsContact C-N 3.33Å; Y131-T133 PolarHBondContact O-N 3.41Å; Y131-Q134 PolarHBondContact O-N 2.66Å; Y131-F135 WeakPolarHBondContact O-CB 3.23Å; Y131-F135 PolarHBondContact O-N 2.95Å
132N95.3Very high93.7Very high70 Ų7099.5 Ų99.537%0.37447%0.473SS..Hα-helixtrans-63.2-40.9177.2179.569.3000111.5L128 H129 F135 Q136L128-N132 WeakPolarHBondContact O-CB 3.44Å; L128-N132 PolarHBondContact O-N 3.36Å; H129-N132 PolarHBondContact O-N 3.46Å; N132-F135 PolarHBondContact O-N 3.16Å; N132-Q136 PolarHBondContact ND2-NE2 2.83Å; N132-Q136 VanDerWaalsContact ND2-NE2 3.19Å; N132-Q136 VanDerWaalsContact O-CG 3.31Å; N132-Q136 WeakPolarHBondContact O-CG 3.49Å; N132-Q136 PolarHBondContact O-N 3.5Å
133T96.6Very high94Very high45 Ų4595.8 Ų95.828%0.27646%0.458SS..Hα-helixtrans-62.7-46.2175.6-61.60000111.4H129 E130 Y131 F135 Q136 E137H129-T133 PolarHBondContact O-N 3.33Å; H129-T133 PolarHBondContact O-OG1 3.45Å; H129-T133 VanDerWaalsContact O-OG1 3.05Å; E130-T133 PolarHBondContact O-N 3.02Å; Y131-T133 VanDerWaalsContact C-N 3.33Å; Y131-T133 PolarHBondContact O-N 3.41Å; T133-F135 VanDerWaalsContact C-N 3.33Å; T133-F135 PolarHBondContact O-N 3.31Å; T133-Q136 PolarHBondContact O-N 3.19Å; T133-E137 WeakPolarHBondContact O-CG 3.44Å; T133-E137 PolarHBondContact O-N 3.21Å
134Q96.1Very high94.6Very high107 Ų107102.7 Ų102.750%0.548%0.478SS..Hα-helixtrans-61.4-41176.2-69.7173.130.200112.2E130 Y131 E137 K138E130-Q134 WeakPolarHBondContact O-CG 3.43Å; E130-Q134 PolarHBondContact O-N 3.15Å; E130-Q134 VanDerWaalsContact O-N 3.07Å; Y131-Q134 PolarHBondContact O-N 2.66Å; Q134-E137 PolarHBondContact O-N 3.43Å; Q134-K138 PolarHBondContact O-N 2.86Å
135F95.7Very high95.1Very high146 Ų146105.1 Ų105.164%0.6449%0.489SS*.Hα-helixtrans-61-45.1175.2174.4-98.9000111.6Y131 N132 T133 E137 K138 S139Y131-F135 WeakPolarHBondContact O-CB 3.23Å; Y131-F135 PolarHBondContact O-N 2.95Å; N132-F135 PolarHBondContact O-N 3.16Å; T133-F135 VanDerWaalsContact C-N 3.33Å; T133-F135 PolarHBondContact O-N 3.31Å; F135-E137 VanDerWaalsContact C-N 3.34Å; F135-E137 PolarHBondContact O-N 2.83Å; F135-K138 PolarHBondContact O-N 3.4Å; F135-S139 WeakPolarHBondContact O-CB 3.41Å; F135-S139 PolarHBondContact O-N 3.09Å
136Q96.6Very high95.5Very high95 Ų95109.4 Ų109.444%0.44450%0.495SS..Hα-helixtrans-65.1-34.9177.4-72.4177.2-2.700113N132 T133 R140N132-Q136 PolarHBondContact ND2-NE2 2.83Å; N132-Q136 VanDerWaalsContact ND2-NE2 3.19Å; N132-Q136 VanDerWaalsContact O-CG 3.31Å; N132-Q136 WeakPolarHBondContact O-CG 3.49Å; N132-Q136 PolarHBondContact O-N 3.5Å; T133-Q136 PolarHBondContact O-N 3.19Å; Q136-R140 WeakPolarHBondContact O-CG 3.42Å; Q136-R140 PolarHBondContact O-N 3.2Å; Q136-R140 PolarHBondContact O-NE 2.84Å
137E97.3Very high95.9Very high106 Ų106109 Ų10950%0.49550%0.495SS..Hα-helixtrans-63.7-48.3172.3-74.7177.3174.700111.6T133 Q134 F135 S139 R140 E141T133-E137 WeakPolarHBondContact O-CG 3.44Å; T133-E137 PolarHBondContact O-N 3.21Å; Q134-E137 PolarHBondContact O-N 3.43Å; F135-E137 VanDerWaalsContact C-N 3.34Å; F135-E137 PolarHBondContact O-N 2.83Å; E137-S139 VanDerWaalsContact C-N 3.33Å; E137-S139 PolarHBondContact O-N 2.75Å; E137-R140 PolarHBondContact O-N 2.98Å; E137-E141 PolarHBondContact O-N 3.29Å
138K96.9Very high96.3Very high133 Ų133109.5 Ų109.558%0.57850%0.498SS*.Hα-helixtrans-62.9-37.4176.3-80.3-74168.2-156.20112.8Q134 F135 E141 Y142Q134-K138 PolarHBondContact O-N 2.86Å; F135-K138 PolarHBondContact O-N 3.4Å; K138-E141 IonicContact NZ-OE1 3.64Å; K138-E141 IonicContact NZ-OE2 3.43Å; K138-E141 PolarHBondContact NZ-OE2 2.93Å; K138-E141 PolarHBondContact O-N 2.86Å; K138-Y142 WeakPolarHBondContact O-CB 3.48Å; K138-Y142 PolarHBondContact O-N 3.27Å
139S97.3Very high96.7Very high48 Ų48111.1 Ų111.134%0.33650%0.497SS..Hα-helixtrans-62.5-45.7174.8-167.20000111.4F135 E137 E141 Y142 D143F135-S139 WeakPolarHBondContact O-CB 3.41Å; F135-S139 PolarHBondContact O-N 3.09Å; E137-S139 VanDerWaalsContact C-N 3.33Å; E137-S139 PolarHBondContact O-N 2.75Å; S139-E141 VanDerWaalsContact C-N 3.32Å; S139-E141 PolarHBondContact O-N 3.27Å; S139-Y142 WeakPolarHBondContact O-CB 3.43Å; S139-Y142 PolarHBondContact O-N 3.4Å; S139-D143 VanDerWaalsContact O-CG 3.27Å; S139-D143 PolarHBondContact O-N 2.94Å
140R98Very high96.9Very high130 Ų130107.5 Ų107.549%0.49148%0.484SS..Hα-helixtrans-64.9-36.1176.9-73.8-178-70.1170.6-1.6112.7Q136 E137 R144Q136-R140 WeakPolarHBondContact O-CG 3.42Å; Q136-R140 PolarHBondContact O-N 3.2Å; Q136-R140 PolarHBondContact O-NE 2.84Å; E137-R140 PolarHBondContact O-N 2.98Å; R140-R144 WeakPolarHBondContact O-CG 3.27Å; R140-R144 PolarHBondContact O-N 3.24Å
141E98Very high97.2Very high88 Ų88109.1 Ų109.141%0.41149%0.487SS..Hα-helixtrans-64.6-44.7173.8-172.3-176.8-176.700111E137 K138 S139 D143 R144 L145E137-E141 PolarHBondContact O-N 3.29Å; K138-E141 IonicContact NZ-OE1 3.64Å; K138-E141 IonicContact NZ-OE2 3.43Å; K138-E141 PolarHBondContact NZ-OE2 2.93Å; K138-E141 PolarHBondContact O-N 2.86Å; S139-E141 VanDerWaalsContact C-N 3.32Å; S139-E141 PolarHBondContact O-N 3.27Å; E141-D143 PolarHBondContact O-N 2.87Å; E141-R144 PolarHBondContact O-N 3.39Å; E141-L145 HydrophobicContact CG-CD1 4.25Å; E141-L145 WeakPolarHBondContact O-CG 3.44Å; E141-L145 PolarHBondContact O-N 2.94Å
142Y97.8Very high97.4Very high147 Ų147104.8 Ų104.858%0.57648%0.476SS*.Hα-helixtrans-57.8-47.5175.3176.9-90.4000111.9K138 S139 R144 L145 Y146K138-Y142 WeakPolarHBondContact O-CB 3.48Å; K138-Y142 PolarHBondContact O-N 3.27Å; S139-Y142 WeakPolarHBondContact O-CB 3.43Å; S139-Y142 PolarHBondContact O-N 3.4Å; Y142-R144 VanDerWaalsContact C-N 3.34Å; Y142-R144 PolarHBondContact O-N 3.07Å; Y142-L145 PolarHBondContact O-N 2.92Å; Y142-Y146 WeakPolarHBondContact O-CB 3.48Å; Y142-Y146 PolarHBondContact O-N 3.32Å
143D97.9Very high97.6Very high81 Ų81104.3 Ų104.343%0.43348%0.478SS..Hα-helixtrans-59.6-44.6-179.8-65.2-26.1000111.6S139 E141 L145 Y146 E147S139-D143 VanDerWaalsContact O-CG 3.27Å; S139-D143 PolarHBondContact O-N 2.94Å; E141-D143 PolarHBondContact O-N 2.87Å; D143-L145 PolarHBondContact O-N 3.18Å; D143-Y146 PolarHBondContact O-N 2.99Å; D143-E147 WeakPolarHBondContact O-CG 3.43Å; D143-E147 PolarHBondContact O-N 3.39Å
144R98.3Very high97.6Very high170 Ų170108 Ų10864%0.64249%0.492SS*.Hα-helixtrans-61.5-45.9176.9-71.3173.8-172.3166.92.1112.4R140 E141 Y142 Y146 E147 E148R140-R144 WeakPolarHBondContact O-CG 3.27Å; R140-R144 PolarHBondContact O-N 3.24Å; E141-R144 PolarHBondContact O-N 3.39Å; Y142-R144 VanDerWaalsContact C-N 3.34Å; Y142-R144 PolarHBondContact O-N 3.07Å; R144-Y146 VanDerWaalsContact C-N 3.28Å; R144-Y146 PolarHBondContact O-N 3.06Å; R144-E147 PolarHBondContact O-N 3.26Å; R144-E148 PolarHBondContact O-N 3.15Å; R144-E148 VanDerWaalsContact O-N 3.09Å
145L98.1Very high97.7Very high99 Ų99106.9 Ų106.952%0.51849%0.487SS..Hα-helixtrans-65.1-35.8178.1-71.7173.1000111.3E141 Y142 D143 E148 Y149E141-L145 HydrophobicContact CG-CD1 4.25Å; E141-L145 WeakPolarHBondContact O-CG 3.44Å; E141-L145 PolarHBondContact O-N 2.94Å; Y142-L145 PolarHBondContact O-N 2.92Å; D143-L145 PolarHBondContact O-N 3.18Å; L145-E148 PolarHBondContact O-N 3.29Å; L145-Y149 VanDerWaalsContact O-CB 3.25Å; L145-Y149 WeakPolarHBondContact O-CB 3.47Å; L145-Y149 PolarHBondContact O-N 2.84Å
146Y97.8Very high97.8Very high129 Ų129103.6 Ų103.651%0.50648%0.475SS..Hα-helixtrans-68.3-39.3177.8-171.5-95.4000112.4Y142 D143 R144 Y149 T150Y142-Y146 WeakPolarHBondContact O-CB 3.48Å; Y142-Y146 PolarHBondContact O-N 3.32Å; D143-Y146 PolarHBondContact O-N 2.99Å; R144-Y146 VanDerWaalsContact C-N 3.28Å; R144-Y146 PolarHBondContact O-N 3.06Å; Y146-Y149 PolarHBondContact O-N 3.38Å; Y146-T150 WeakPolarHBondContact O-CB 3.42Å; Y146-T150 PolarHBondContact O-N 3.23Å; Y146-T150 PolarHBondContact O-OG1 3.38Å
147E98.2Very high97.9Very high130 Ų130104.2 Ų104.261%0.60748%0.478SS*.Hα-helixtrans-61.9-46.3172.3-74.1177-178.500111.8D143 R144 T150 R151D143-E147 WeakPolarHBondContact O-CG 3.43Å; D143-E147 PolarHBondContact O-N 3.39Å; R144-E147 PolarHBondContact O-N 3.26Å; E147-T150 PolarHBondContact O-N 3.35Å; E147-R151 WeakPolarHBondContact O-CB 3.37Å; E147-R151 PolarHBondContact O-N 3.17Å
148E98.2Very high97.9Very high98 Ų98105.8 Ų105.846%0.45849%0.487SS..Hα-helixtrans-62.7-46.4176.1175.4162.1-144.600111.9R144 L145 T150 R151 T152R144-E148 PolarHBondContact O-N 3.15Å; R144-E148 VanDerWaalsContact O-N 3.09Å; L145-E148 PolarHBondContact O-N 3.29Å; E148-T150 VanDerWaalsContact C-N 3.29Å; E148-T150 PolarHBondContact O-N 3.08Å; E148-R151 PolarHBondContact O-N 2.89Å; E148-R151 IonicContact OE1-NH2 3.44Å; E148-T152 WeakPolarHBondContact O-CB 3.31Å; E148-T152 PolarHBondContact O-N 3.47Å; E148-T152 PolarHBondContact O-OG1 2.6Å; E148-T152 VanDerWaalsContact O-OG1 3.13Å
149Y98Very high97.9Very high154 Ų154105.8 Ų105.860%0.60449%0.487SS*.Hα-helixtrans-54.2-47174.9170.2-98.5000111.7L145 Y146 T152 S153L145-Y149 VanDerWaalsContact O-CB 3.25Å; L145-Y149 WeakPolarHBondContact O-CB 3.47Å; L145-Y149 PolarHBondContact O-N 2.84Å; Y146-Y149 PolarHBondContact O-N 3.38Å; Y149-T152 PolarHBondContact O-N 2.87Å; Y149-S153 VanDerWaalsContact O-CB 3.27Å; Y149-S153 WeakPolarHBondContact O-CB 3.28Å; Y149-S153 PolarHBondContact O-N 3.21Å
150T98.3Very high97.9Very high48 Ų48110.5 Ų110.529%0.29450%0.497SS..Hα-helixtrans-65.3-43.1-179.6-56.40000111.3Y146 E147 E148 S153 Q154Y146-T150 WeakPolarHBondContact O-CB 3.42Å; Y146-T150 PolarHBondContact O-N 3.23Å; Y146-T150 PolarHBondContact O-OG1 3.38Å; E147-T150 PolarHBondContact O-N 3.35Å; E148-T150 VanDerWaalsContact C-N 3.29Å; E148-T150 PolarHBondContact O-N 3.08Å; T150-S153 PolarHBondContact O-N 2.65Å; T150-Q154 WeakPolarHBondContact O-CG 3.27Å; T150-Q154 PolarHBondContact O-N 3.25Å
151R98.3Very high97.9Very high118 Ų118108 Ų10845%0.44550%0.496SS..Hα-helixtrans-60.9-51175.8179.7179.363-117.30.7111.5E147 E148 S153 Q154 E155E147-R151 WeakPolarHBondContact O-CB 3.37Å; E147-R151 PolarHBondContact O-N 3.17Å; E148-R151 PolarHBondContact O-N 2.89Å; E148-R151 IonicContact OE1-NH2 3.44Å; R151-S153 VanDerWaalsContact C-N 3.3Å; R151-S153 PolarHBondContact O-N 3.36Å; R151-Q154 WeakPolarHBondContact O-CB 3.35Å; R151-Q154 PolarHBondContact O-N 3.47Å; R151-Q154 VanDerWaalsContact O-N 3.17Å; R151-E155 PolarHBondContact O-N 3.04Å
152T97.9Very high97.8Very high58 Ų58105.9 Ų105.936%0.35649%0.494SS..Hα-helixtrans-62.3-38.3179.2-59.90000111.7E148 Y149 Q154 E155 I156E148-T152 WeakPolarHBondContact O-CB 3.31Å; E148-T152 PolarHBondContact O-N 3.47Å; E148-T152 PolarHBondContact O-OG1 2.6Å; E148-T152 VanDerWaalsContact O-OG1 3.13Å; Y149-T152 PolarHBondContact O-N 2.87Å; T152-Q154 VanDerWaalsContact C-N 3.35Å; T152-Q154 PolarHBondContact O-N 3.39Å; T152-E155 PolarHBondContact O-N 2.75Å; T152-I156 HydrophobicContact CG2-CD1 3.95Å; T152-I156 HydrophobicContact CG2-CG1 4.43Å; T152-I156 WeakPolarHBondContact O-CB 3.31Å; T152-I156 VanDerWaalsContact O-CG1 3.25Å; T152-I156 WeakPolarHBondContact O-CG1 3.38Å; T152-I156 PolarHBondContact O-N 2.98Å
153S98.1Very high97.7Very high60 Ų60103.5 Ų103.542%0.4249%0.49SS..Hα-helixtrans-59.8-43.8174.6-174.10000112Y149 T150 R151 I156 Q157Y149-S153 VanDerWaalsContact O-CB 3.27Å; Y149-S153 WeakPolarHBondContact O-CB 3.28Å; Y149-S153 PolarHBondContact O-N 3.21Å; T150-S153 PolarHBondContact O-N 2.65Å; R151-S153 VanDerWaalsContact C-N 3.3Å; R151-S153 PolarHBondContact O-N 3.36Å; S153-I156 PolarHBondContact O-N 3.37Å; S153-Q157 PolarHBondContact O-N 2.85Å
154Q97.9Very high97.6Very high123 Ų123105.5 Ų105.558%0.57550%0.497SS*.Hα-helixtrans-64.7-44.1175.4-70.6173.8-2.800112.2T150 R151 T152 I156 Q157 M158T150-Q154 WeakPolarHBondContact O-CG 3.27Å; T150-Q154 PolarHBondContact O-N 3.25Å; R151-Q154 WeakPolarHBondContact O-CB 3.35Å; R151-Q154 PolarHBondContact O-N 3.47Å; R151-Q154 VanDerWaalsContact O-N 3.17Å; T152-Q154 VanDerWaalsContact C-N 3.35Å; T152-Q154 PolarHBondContact O-N 3.39Å; Q154-I156 VanDerWaalsContact C-N 3.33Å; Q154-I156 PolarHBondContact O-N 3.4Å; Q154-Q157 WeakPolarHBondContact O-CB 3.24Å; Q154-Q157 PolarHBondContact O-N 3.25Å; Q154-Q157 VanDerWaalsContact O-N 3.16Å; Q154-M158 WeakPolarHBondContact O-CG 3.48Å; Q154-M158 PolarHBondContact O-N 3.06Å
155E97.8Very high97.5Very high84 Ų84100 Ų10039%0.39349%0.488SS..Hα-helixtrans-61.2-40.9176.6-72.7179.1-15900112.4R151 T152 Q157 M158 K159R151-E155 PolarHBondContact O-N 3.04Å; T152-E155 PolarHBondContact O-N 2.75Å; E155-Q157 VanDerWaalsContact C-N 3.31Å; E155-Q157 PolarHBondContact O-N 2.84Å; E155-M158 PolarHBondContact O-N 2.95Å; E155-K159 WeakPolarHBondContact O-CB 3.3Å; E155-K159 WeakPolarHBondContact O-CG 3.45Å; E155-K159 PolarHBondContact O-N 2.9Å
156I97.9Very high97.4Very high77 Ų77102 Ų10240%0.39549%0.493SS..Hα-helixtrans-60.8-44.6174.9-72.1167.1000109.9T152 S153 Q154 K159 R160T152-I156 HydrophobicContact CG2-CD1 3.95Å; T152-I156 HydrophobicContact CG2-CG1 4.43Å; T152-I156 WeakPolarHBondContact O-CB 3.31Å; T152-I156 VanDerWaalsContact O-CG1 3.25Å; T152-I156 WeakPolarHBondContact O-CG1 3.38Å; T152-I156 PolarHBondContact O-N 2.98Å; S153-I156 PolarHBondContact O-N 3.37Å; Q154-I156 VanDerWaalsContact C-N 3.33Å; Q154-I156 PolarHBondContact O-N 3.4Å; I156-K159 PolarHBondContact O-N 3.32Å; I156-R160 WeakPolarHBondContact O-CG 3.3Å; I156-R160 PolarHBondContact O-N 3.3Å
157Q97.8Very high97.2Very high108 Ų10899.9 Ų99.951%0.50549%0.49SS..Hα-helixtrans-62.5-44.2178.7-171.261.619.900111.7S153 Q154 E155 K159 R160 T161S153-Q157 PolarHBondContact O-N 2.85Å; Q154-Q157 WeakPolarHBondContact O-CB 3.24Å; Q154-Q157 PolarHBondContact O-N 3.25Å; Q154-Q157 VanDerWaalsContact O-N 3.16Å; E155-Q157 VanDerWaalsContact C-N 3.31Å; E155-Q157 PolarHBondContact O-N 2.84Å; Q157-K159 PolarHBondContact O-N 3.49Å; Q157-R160 PolarHBondContact O-N 3.48Å; Q157-T161 PolarHBondContact O-N 3.04Å; Q157-T161 VanDerWaalsContact O-N 3.1Å; Q157-T161 PolarHBondContact O-OG1 3.48Å
158M97.6Very high97.1Very high138 Ų13898.6 Ų98.668%0.6848%0.484SS*.Hα-helixtrans-61.1-44.3175.8-69.2174.266.500111.9Q154 E155 R160 T161 A162Q154-M158 WeakPolarHBondContact O-CG 3.48Å; Q154-M158 PolarHBondContact O-N 3.06Å; E155-M158 PolarHBondContact O-N 2.95Å; M158-R160 VanDerWaalsContact C-N 3.33Å; M158-R160 PolarHBondContact O-N 3.36Å; M158-T161 PolarHBondContact O-N 3.29Å; M158-A162 WeakPolarHBondContact O-CB 3.48Å; M158-A162 PolarHBondContact O-N 3.17Å
159K97.5Very high96.9Very high133 Ų13397 Ų9758%0.57848%0.481SS*.Hα-helixtrans-63.4-37.9177.5-75.1174-179.5168.60112E155 I156 Q157 A162 I163E155-K159 WeakPolarHBondContact O-CB 3.3Å; E155-K159 WeakPolarHBondContact O-CG 3.45Å; E155-K159 PolarHBondContact O-N 2.9Å; I156-K159 PolarHBondContact O-N 3.32Å; Q157-K159 PolarHBondContact O-N 3.49Å; K159-A162 PolarHBondContact O-N 2.88Å; K159-I163 VanDerWaalsContact O-CG1 3.25Å; K159-I163 WeakPolarHBondContact O-CG1 3.32Å; K159-I163 PolarHBondContact O-N 3.03Å
160R96.8Very high96.6Very high148 Ų14894 Ų9456%0.55847%0.474SS*.Hα-helixtrans-61.2-50.2174.4-76.8175.3175.9171.5-1.5111.7I156 Q157 M158 A162 I163 E164I156-R160 WeakPolarHBondContact O-CG 3.3Å; I156-R160 PolarHBondContact O-N 3.3Å; Q157-R160 PolarHBondContact O-N 3.48Å; M158-R160 VanDerWaalsContact C-N 3.33Å; M158-R160 PolarHBondContact O-N 3.36Å; R160-A162 VanDerWaalsContact C-N 3.29Å; R160-A162 PolarHBondContact O-N 3.05Å; R160-I163 PolarHBondContact O-N 2.88Å; R160-E164 WeakPolarHBondContact O-CG 3.27Å; R160-E164 PolarHBondContact O-N 2.83Å
161T96.9Very high96.3Very high76 Ų7697.6 Ų97.647%0.46649%0.486SS..Hα-helixtrans-61.3-38.9177.1-55.60000111.9Q157 M158 E164 A165Q157-T161 PolarHBondContact O-N 3.04Å; Q157-T161 VanDerWaalsContact O-N 3.1Å; Q157-T161 PolarHBondContact O-OG1 3.48Å; M158-T161 PolarHBondContact O-N 3.29Å; T161-E164 PolarHBondContact O-N 2.62Å; T161-A165 PolarHBondContact O-N 2.82Å
162A96.8Very high96Very high44 Ų4498.3 Ų98.336%0.36450%0.497SS..Hα-helixtrans-63.2-43.6175.900000112M158 K159 R160 E164 A165 F166M158-A162 WeakPolarHBondContact O-CB 3.48Å; M158-A162 PolarHBondContact O-N 3.17Å; K159-A162 PolarHBondContact O-N 2.88Å; R160-A162 VanDerWaalsContact C-N 3.29Å; R160-A162 PolarHBondContact O-N 3.05Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 2.91Å; A162-A165 PolarHBondContact O-N 2.71Å; A162-F166 WeakPolarHBondContact O-CD2 3.41Å; A162-F166 PolarHBondContact O-N 3.39Å
163I95.8Very high95.4Very high98 Ų98103.9 Ų103.950%0.50352%0.517SS..Hα-helixtrans-60.8-43.3176.2-70.6164.4000111K159 R160 A165 F166 N167K159-I163 VanDerWaalsContact O-CG1 3.25Å; K159-I163 WeakPolarHBondContact O-CG1 3.32Å; K159-I163 PolarHBondContact O-N 3.03Å; R160-I163 PolarHBondContact O-N 2.88Å; I163-A165 PolarHBondContact O-N 2.8Å; I163-F166 PolarHBondContact O-N 2.83Å; I163-N167 VanDerWaalsContact O-CG 3.25Å; I163-N167 PolarHBondContact O-N 3.38Å; I163-N167 PolarHBondContact O-ND2 2.85Å
164E96.2Very high94.1Very high122 Ų122111 Ų11157%0.5754%0.544SS*.Hα-helixtrans-60.9-44.2175.9-70.9169.9-176.900111.7R160 T161 A162 F166 N167 E168R160-E164 WeakPolarHBondContact O-CG 3.27Å; R160-E164 PolarHBondContact O-N 2.83Å; T161-E164 PolarHBondContact O-N 2.62Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 2.91Å; E164-F166 PolarHBondContact O-N 3.04Å; E164-N167 PolarHBondContact O-N 3.46Å; E164-E168 PolarHBondContact O-N 2.97Å
165A95.7Very high93.9Very high54 Ų54110.4 Ų110.445%0.44654%0.542SS..Hα-helixtrans-63.2-39.6176.100000112.5T161 A162 I163 E168 T169T161-A165 PolarHBondContact O-N 2.82Å; A162-A165 PolarHBondContact O-N 2.71Å; I163-A165 PolarHBondContact O-N 2.8Å; A165-E168 PolarHBondContact O-N 3.25Å; A165-T169 WeakPolarHBondContact O-CB 3.48Å; A165-T169 PolarHBondContact O-N 2.85Å; A165-T169 PolarHBondContact O-OG1 3.19Å
166F95.7Very high93.7Very high142 Ų142111.8 Ų111.862%0.62355%0.55SS*.Hα-helixtrans-62.8-43.2173.8-80.7-61.8000111.7A162 I163 E164 T169 I170A162-F166 WeakPolarHBondContact O-CD2 3.41Å; A162-F166 PolarHBondContact O-N 3.39Å; I163-F166 PolarHBondContact O-N 2.83Å; E164-F166 PolarHBondContact O-N 3.04Å; F166-T169 WeakPolarHBondContact O-CB 3.12Å; F166-T169 PolarHBondContact O-N 3.3Å; F166-I170 WeakPolarHBondContact O-CG1 3.44Å; F166-I170 PolarHBondContact O-N 3.08Å
167N94.3Very high93.5Very high85 Ų85113.7 Ų113.746%0.45556%0.558SS.*Hα-helixtrans-63.1-42.9178.1-70.4-21.7000112.1I163 E164 T169 I170 K171I163-N167 VanDerWaalsContact O-CG 3.25Å; I163-N167 PolarHBondContact O-N 3.38Å; I163-N167 PolarHBondContact O-ND2 2.85Å; E164-N167 PolarHBondContact O-N 3.46Å; N167-T169 VanDerWaalsContact C-N 3.3Å; N167-T169 PolarHBondContact O-N 2.95Å; N167-I170 PolarHBondContact O-N 3.35Å; N167-K171 WeakPolarHBondContact O-CG 3.38Å; N167-K171 PolarHBondContact O-N 3.5Å; N167-K171 VanDerWaalsContact O-N 3.08Å
168E94.9Very high93.2Very high102 Ų102114.1 Ų114.148%0.47756%0.562SS.*Hα-helixtrans-64.4-37.1174.2-72.9-55.8135.500112E164 A165 K171 I172E164-E168 PolarHBondContact O-N 2.97Å; A165-E168 PolarHBondContact O-N 3.25Å; E168-K171 PolarHBondContact O-N 3Å; E168-K171 IonicContact OE1-NZ 2.72Å; E168-K171 PolarHBondContact OE1-NZ 2.87Å; E168-I172 WeakPolarHBondContact O-CG1 3.48Å; E168-I172 PolarHBondContact O-N 3.38Å
169T93.9Very high93Very high64 Ų64112.6 Ų112.639%0.39355%0.554SS.*Hα-helixtrans-62.6-46.5175.2-560000111A165 F166 N167 K171 I172 F173A165-T169 WeakPolarHBondContact O-CB 3.48Å; A165-T169 PolarHBondContact O-N 2.85Å; A165-T169 PolarHBondContact O-OG1 3.19Å; F166-T169 WeakPolarHBondContact O-CB 3.12Å; F166-T169 PolarHBondContact O-N 3.3Å; N167-T169 VanDerWaalsContact C-N 3.3Å; N167-T169 PolarHBondContact O-N 2.95Å; T169-K171 VanDerWaalsContact C-N 3.33Å; T169-K171 PolarHBondContact O-N 3.46Å; T169-I172 WeakPolarHBondContact O-CB 3.5Å; T169-I172 PolarHBondContact O-N 3.13Å; T169-I172 VanDerWaalsContact O-N 3.08Å; T169-F173 HydrophobicContact CG2-CD2 3.83Å; T169-F173 HydrophobicContact CG2-CE2 3.56Å; T169-F173 WeakPolarHBondContact O-CD2 3.1Å; T169-F173 PolarHBondContact O-N 3.34Å
170I93.1Very high92.7Very high91 Ų91111.2 Ų111.247%0.46755%0.553SS.*Hα-helixtrans-58.5-44.7177-68.3167.3000110.9F166 N167 I172 F173 E174F166-I170 WeakPolarHBondContact O-CG1 3.44Å; F166-I170 PolarHBondContact O-N 3.08Å; N167-I170 PolarHBondContact O-N 3.35Å; I170-I172 PolarHBondContact O-N 2.7Å; I170-F173 PolarHBondContact O-N 3.44Å; I170-E174 HydrophobicContact CG2-CG 4.31Å; I170-E174 PolarHBondContact O-N 2.86Å
171K92.4Very high92.4Very high125 Ų125108.6 Ų108.654%0.54355%0.552SS.*Hα-helixtrans-59.5-26.6176.4-72.2177.6-172.51690114.2N167 E168 T169N167-K171 WeakPolarHBondContact O-CG 3.38Å; N167-K171 PolarHBondContact O-N 3.5Å; N167-K171 VanDerWaalsContact O-N 3.08Å; E168-K171 PolarHBondContact O-N 3Å; E168-K171 IonicContact OE1-NZ 2.72Å; E168-K171 PolarHBondContact OE1-NZ 2.87Å; T169-K171 VanDerWaalsContact C-N 3.33Å; T169-K171 PolarHBondContact O-N 3.46Å
172I91.4Very high92Very high132 Ų132111.1 Ų111.168%0.67756%0.559SS**Hα-helixtrans-77.6-28.2176.4-66.8164.4000110.9E168 T169 I170E168-I172 WeakPolarHBondContact O-CG1 3.48Å; E168-I172 PolarHBondContact O-N 3.38Å; T169-I172 WeakPolarHBondContact O-CB 3.5Å; T169-I172 PolarHBondContact O-N 3.13Å; T169-I172 VanDerWaalsContact O-N 3.08Å; I170-I172 PolarHBondContact O-N 2.7Å
173F85.1Confident91.6Very high176 Ų176116.7 Ų116.777%0.77258%0.575SS**Hα-helixtrans-92.5-10.5-178.7-75-71.9000114.1T169 I170T169-F173 HydrophobicContact CG2-CD2 3.83Å; T169-F173 HydrophobicContact CG2-CE2 3.56Å; T169-F173 WeakPolarHBondContact O-CD2 3.1Å; T169-F173 PolarHBondContact O-N 3.34Å; I170-F173 PolarHBondContact O-N 3.44Å
174E71.1Confident91.2Very high209 Ų209118.4 Ų118.498%0.97758%0.582SS**  trans-90.10168.2-70.3-176.9166.500111.8I170I170-E174 HydrophobicContact CG2-CG 4.31Å; I170-E174 PolarHBondContact O-N 2.86Å

Retrieved 174 of 174 residues in 457.2 ms (Link to these results)

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