A0A3Q0KLY5_SCHMA Loading...

Putative jumonji domain containing protein

AlphaFold DB (A0A5K4EME7), UniProt , Accession A0A3Q0KLY5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 984 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
1M43.1Very low71.2Confident228 Ų228102.8 Ų102.8100%1.12351%0.509SS*.  0-70-80.4171.3163.900114.3R3M1-R3 PolarHBondContact O-N 3.29Å
2Y48.2Very low72.9Confident184 Ų184104.3 Ų104.372%0.72251%0.511SS*.G310 helixtrans-83.38.8-177.2-60.9-75.4000116.9D4Y2-D4 VanDerWaalsContact C-N 3.31Å; Y2-D4 PolarHBondContact O-N 3.18Å
3R51.3Low74.4Confident224 Ų22497.2 Ų97.285%0.84548%0.476SS*.G310 helixtrans-70.1-24.8-172.3-83.1-171.1175.5179.3-1.4114.1M1 Y5 Q9M1-R3 PolarHBondContact O-N 3.29Å; R3-Y5 PolarHBondContact O-N 3.05Å; R3-Q9 PolarHBondContact O-NE2 3.19Å; R3-Q9 PolarHBondContact O-OE1 3.11Å
4D63.6Low75.6Confident105 Ų10594.9 Ų94.956%0.56147%0.467SS*.G310 helixtrans-98.120.5-170.5-44.7-21.6000113.2Y2 K31Y2-D4 VanDerWaalsContact C-N 3.31Å; Y2-D4 PolarHBondContact O-N 3.18Å; D4-K31 VanDerWaalsContact O-CD 3.25Å; D4-K31 WeakPolarHBondContact O-CD 3.33Å
5Y75.4Confident76.7Confident54 Ų5491.8 Ų91.821%0.21245%0.45CS..  trans-120.3139.6-179.6-77.1-95.1000110.6R3 Q9 K31 P32R3-Y5 PolarHBondContact O-N 3.05Å; Y5-Q9 PolarHBondContact O-NE2 3.48Å; Y5-K31 CarbonylContact C-O 3.6Å; Y5-K31 WeakPolarHBondContact CA-O 3.43Å; Y5-K31 HydrophobicContact CD1-CB 3.78Å; Y5-K31 WeakPolarHBondContact CD1-O 3.47Å; Y5-K31 HydrophobicContact CE1-CB 4.08Å; Y5-K31 HydrophobicContact CG-CB 4.32Å; Y5-P32 WeakPolarHBondContact CD1-O 3.41Å
6G86.6Confident77.5Confident9 Ų993.6 Ų93.69%0.09346%0.461CS..  trans141.4122.9-174.600000111A8 Q9 K31 E36G6-A8 PolarHBondContact O-N 3.5Å; G6-Q9 WeakPolarHBondContact O-CB 3.13Å; G6-Q9 PolarHBondContact O-N 2.99Å; G6-Q9 VanDerWaalsContact O-N 3.09Å; G6-K31 PolarHBondContact N-O 3.19Å; G6-E36 WeakPolarHBondContact CA-OE2 3.24Å
7L89Confident78.2Confident0 Ų092.9 Ų92.90%046%0.457CS..G310 helixtrans-61.1-38.8176.7-64.7178.8000110.9Q9 T10 Y30 P32 E36 M46 I47 L50L7-Q9 PolarHBondContact O-N 3.15Å; L7-T10 PolarHBondContact O-N 3.29Å; L7-Y30 HydrophobicContact CD2-CD1 3.89Å; L7-Y30 HydrophobicContact CD2-CG 4.17Å; L7-P32 HydrophobicContact CD2-CB 3.87Å; L7-P32 HydrophobicContact CD2-CG 4.42Å; L7-P32 HydrophobicContact CG-CB 4.06Å; L7-E36 WeakPolarHBondContact CB-OE1 3.47Å; L7-E36 HydrophobicContact CD1-CB 4.1Å; L7-E36 HydrophobicContact CD1-CG 4.31Å; L7-E36 HydrophobicContact CG-CB 4.28Å; L7-E36 HydrophobicContact CG-CG 4.36Å; L7-E36 PolarHBondContact N-OE1 2.88Å; L7-E36 PolarHBondContact N-OE2 3.46Å; L7-M46 HydrophobicContact CB-CE 3.87Å; L7-M46 HydrophobicContact CB-CG 4.4Å; L7-M46 HydrophobicContact CB-SD 4.07Å; L7-M46 HydrophobicContact CD1-CB 3.96Å; L7-M46 HydrophobicContact CD1-CG 3.91Å; L7-M46 HydrophobicContact CD1-SD 3.74Å; L7-I47 HydrophobicContact CD1-CG1 4.41Å; L7-I47 HydrophobicContact CD2-CD1 4.16Å; L7-I47 HydrophobicContact CD2-CG1 3.95Å; L7-L50 HydrophobicContact CB-CD1 4.24Å; L7-L50 WeakPolarHBondContact O-CD1 3.44Å
8A80.9Confident78.9Confident81 Ų8187.8 Ų87.867%0.66943%0.431SS*.G310 helixtrans-63.2-8.5176.300000115.1G6 M46G6-A8 PolarHBondContact O-N 3.5Å; A8-M46 HydrophobicContact CB-CE 4.38Å
9Q79.9Confident79.4Confident116 Ų11686.7 Ų86.754%0.54243%0.427SS..G310 helixtrans-85.6-17173.3-56-168.87.300113.1R3 Y5 G6 L7R3-Q9 PolarHBondContact O-NE2 3.19Å; R3-Q9 PolarHBondContact O-OE1 3.11Å; Y5-Q9 PolarHBondContact O-NE2 3.48Å; G6-Q9 WeakPolarHBondContact O-CB 3.13Å; G6-Q9 PolarHBondContact O-N 2.99Å; G6-Q9 VanDerWaalsContact O-N 3.09Å; L7-Q9 PolarHBondContact O-N 3.15Å
10T82.5Confident79.6Confident29 Ų2986.9 Ų86.918%0.17843%0.43CS..SBendtrans-83.8132.5-179.5-51.30000109.3L7 Y30L7-T10 PolarHBondContact O-N 3.29Å; T10-Y30 HydrophobicContact CG2-CD1 3.9Å; T10-Y30 HydrophobicContact CG2-CE1 3.47Å; T10-Y30 VanDerWaalsContact CG2-CE1 3.47Å
11P82.3Confident79.8Confident101 Ų10186.6 Ų86.666%0.65643%0.428SS*.PPolyproline II helixtrans-55.5143.6178-26.935.3000113.1
12F91.6Very high81.7Confident120 Ų12080.1 Ų80.153%0.52641%0.41SS..PPolyproline II helixtrans-67.5135.7166.5176-92.7000109.7D14 S49F12-D14 HydrophobicContact CE1-CB 4.06Å; F12-S49 WeakPolarHBondContact CD2-O 3.32Å; F12-S49 WeakPolarHBondContact CE2-O 3.49Å
13I93.3Very high83.7Confident13 Ų1374.5 Ų74.57%0.06740%0.395CS..PPolyproline II helixtrans-98.9118.7174.5-69.1163.4000108.7T18 P25 P28 L50 V55I13-T18 HydrophobicContact CG2-CG2 3.92Å; I13-P25 HydrophobicContact CD1-CG 4.21Å; I13-P25 HydrophobicContact CG1-CG 4.05Å; I13-P25 HydrophobicContact CG2-CG 3.74Å; I13-P28 HydrophobicContact CD1-CB 3.98Å; I13-P28 HydrophobicContact CD1-CG 3.75Å; I13-L50 PolarHBondContact N-O 3.18Å; I13-V55 HydrophobicContact CD1-CG2 3.97Å; I13-V55 HydrophobicContact CG2-CG2 4.27Å
14D91.4Very high85.6Confident64 Ų6464.2 Ų64.234%0.34236%0.357SS..PPolyproline II helixtrans-81.1140.1176.5-168.9-77.3000111F12 L16 E17F12-D14 HydrophobicContact CE1-CB 4.06Å; D14-L16 PolarHBondContact O-N 3.41Å; D14-L16 VanDerWaalsContact OD1-CB 3.24Å; D14-L16 WeakPolarHBondContact OD1-CB 3.48Å; D14-L16 VanDerWaalsContact OD1-CG 3.3Å; D14-L16 WeakPolarHBondContact OD1-CG 3.37Å; D14-L16 PolarHBondContact OD1-N 2.95Å; D14-E17 HydrophobicContact CB-CG 4.18Å; D14-E17 PolarHBondContact N-OE2 3.16Å; D14-E17 WeakPolarHBondContact O-CB 3.15Å; D14-E17 PolarHBondContact O-N 3.26Å; D14-E17 VanDerWaalsContact O-N 3.07Å
15K91.6Very high87Confident49 Ų4960.7 Ų60.721%0.21334%0.34CS..THydrogen-bonded Turntrans-55.7-35.2178.4-176166.562.9170.90112.8E17 T18 L19 E359 Y360K15-E17 VanDerWaalsContact C-N 3.27Å; K15-E17 PolarHBondContact O-N 2.92Å; K15-T18 PolarHBondContact O-N 3.12Å; K15-T18 PolarHBondContact O-OG1 3.5Å; K15-L19 PolarHBondContact O-N 3.25Å; K15-E359 HydrophobicContact CD-CG 4.18Å; K15-E359 WeakPolarHBondContact CD-OE2 3.37Å; K15-E359 PolarHBondContact NZ-O 2.96Å; K15-E359 IonicContact NZ-OE2 2.78Å; K15-E359 PolarHBondContact NZ-OE2 2.93Å; K15-Y360 HydrophobicContact CD-CD1 3.86Å; K15-Y360 HydrophobicContact CD-CE1 3.64Å; K15-Y360 HydrophobicContact CG-CD1 3.99Å; K15-Y360 HydrophobicContact CG-CE1 3.76Å
16L89.8Confident87.9Confident121 Ų12163.8 Ų63.863%0.63436%0.356SS*.THydrogen-bonded Turntrans-64.9-32.6-179.5-61.1176.5000111.8D14 T18 L19D14-L16 PolarHBondContact O-N 3.41Å; D14-L16 VanDerWaalsContact OD1-CB 3.24Å; D14-L16 WeakPolarHBondContact OD1-CB 3.48Å; D14-L16 VanDerWaalsContact OD1-CG 3.3Å; D14-L16 WeakPolarHBondContact OD1-CG 3.37Å; D14-L16 PolarHBondContact OD1-N 2.95Å; L16-T18 PolarHBondContact O-N 3.21Å; L16-L19 HydrophobicContact CD2-CD1 3.88Å; L16-L19 PolarHBondContact O-N 3.48Å
17E89.6Confident88.4Confident82 Ų8263.8 Ų63.838%0.38335%0.354SS..G310 helixtrans-63.1-34.2175.9-61.2178.5117.600111.1D14 K15 L19 T23 I24D14-E17 HydrophobicContact CB-CG 4.18Å; D14-E17 PolarHBondContact N-OE2 3.16Å; D14-E17 WeakPolarHBondContact O-CB 3.15Å; D14-E17 PolarHBondContact O-N 3.26Å; D14-E17 VanDerWaalsContact O-N 3.07Å; K15-E17 VanDerWaalsContact C-N 3.27Å; K15-E17 PolarHBondContact O-N 2.92Å; E17-L19 PolarHBondContact O-N 2.99Å; E17-T23 CarbonylContact O-C 3.49Å; E17-T23 WeakPolarHBondContact O-CB 3.37Å; E17-T23 PolarHBondContact O-OG1 2.93Å; E17-I24 WeakPolarHBondContact O-CA 3.24Å; E17-I24 PolarHBondContact O-N 2.81Å; E17-I24 VanDerWaalsContact O-N 3.17Å
18T90.4Very high88.7Confident0 Ų064.4 Ų64.40%036%0.358CS..G310 helixtrans-83.7-3.8-18074.30000114.3I13 K15 L16 P25 H54 V55 F229I13-T18 HydrophobicContact CG2-CG2 3.92Å; K15-T18 PolarHBondContact O-N 3.12Å; K15-T18 PolarHBondContact O-OG1 3.5Å; L16-T18 PolarHBondContact O-N 3.21Å; T18-P25 HydrophobicContact CG2-CG 4.5Å; T18-H54 HydrophobicContact CG2-CB 3.66Å; T18-V55 HydrophobicContact CG2-CG2 4.24Å; T18-F229 WeakPolarHBondContact O-CE2 3.45Å
19L88.8Confident89.5Confident68 Ų6863.1 Ų63.136%0.35634%0.342SS..G310 helixtrans-83.8-18.6178.1-67.2-179.4000113.9K15 L16 E17 A228 F229 Y360K15-L19 PolarHBondContact O-N 3.25Å; L16-L19 HydrophobicContact CD2-CD1 3.88Å; L16-L19 PolarHBondContact O-N 3.48Å; E17-L19 PolarHBondContact O-N 2.99Å; L19-A228 HydrophobicContact CD2-CB 3.97Å; L19-F229 WeakPolarHBondContact O-CZ 3.46Å; L19-Y360 HydrophobicContact CD2-CD1 3.85Å; L19-Y360 HydrophobicContact CD2-CG 4.38Å
20N83.6Confident90.3Very high89 Ų8957.6 Ų57.648%0.47632%0.316SS..SBendtrans-125.2127.1-176178.4-7.9000110.8A22 T23 I24N20-A22 PolarHBondContact O-N 3.24Å; N20-A22 PolarHBondContact OD1-N 2.89Å; N20-T23 WeakPolarHBondContact CB-OG1 3.29Å; N20-T23 PolarHBondContact O-N 2.75Å; N20-T23 PolarHBondContact O-OG1 2.92Å; N20-T23 VanDerWaalsContact O-OG1 3.04Å; N20-I24 WeakPolarHBondContact O-CG1 3.5Å; N20-I24 PolarHBondContact O-N 2.74Å
21Q82.1Confident91Very high82 Ų8259.9 Ų59.938%0.38332%0.323SS..THydrogen-bonded Turntrans-49.6-30.2179.2173.2163.211.900114.2S265 P270Q21-S265 PolarHBondContact NE2-OG 3.11Å; Q21-P270 HydrophobicContact CB-CB 4.11Å; Q21-P270 HydrophobicContact CB-CG 4.33Å; Q21-P270 HydrophobicContact CG-CB 3.94Å
22A84.4Confident91.6Very high91 Ų9155.1 Ų55.175%0.75229%0.292SS*.THydrogen-bonded Turntrans-77.4-21.117900000114.4N20N20-A22 PolarHBondContact O-N 3.24Å; N20-A22 PolarHBondContact OD1-N 2.89Å
23T89.5Confident91.8Very high67 Ų6751.7 Ų51.741%0.41128%0.281SS..THydrogen-bonded Turntrans-111.7-7.7-17352.20000114E17 N20 P25E17-T23 CarbonylContact O-C 3.49Å; E17-T23 WeakPolarHBondContact O-CB 3.37Å; E17-T23 PolarHBondContact O-OG1 2.93Å; N20-T23 WeakPolarHBondContact CB-OG1 3.29Å; N20-T23 PolarHBondContact O-N 2.75Å; N20-T23 PolarHBondContact O-OG1 2.92Å; N20-T23 VanDerWaalsContact O-OG1 3.04Å; T23-P25 WeakPolarHBondContact O-CD 3.24Å
24I90.7Very high91.8Very high8 Ų854.6 Ų54.64%0.04130%0.3CS..PPolyproline II helixtrans-59.4123.9-175.7-46.2-162.8000109.6E17 N20 P226 F229 P270 K272E17-I24 WeakPolarHBondContact O-CA 3.24Å; E17-I24 PolarHBondContact O-N 2.81Å; E17-I24 VanDerWaalsContact O-N 3.17Å; N20-I24 WeakPolarHBondContact O-CG1 3.5Å; N20-I24 PolarHBondContact O-N 2.74Å; I24-P226 HydrophobicContact CD1-CG 3.96Å; I24-P226 HydrophobicContact CG2-CG 3.88Å; I24-F229 HydrophobicContact CD1-CD2 4.28Å; I24-F229 HydrophobicContact CD1-CE2 3.63Å; I24-F229 HydrophobicContact CD1-CZ 4.39Å; I24-P270 HydrophobicContact CD1-CB 3.76Å; I24-P270 HydrophobicContact CD1-CG 3.45Å; I24-P270 VanDerWaalsContact CD1-CG 3.45Å; I24-K272 HydrophobicContact CG2-CG 4.2Å; I24-K272 WeakPolarHBondContact O-CE 3.33Å; I24-K272 PolarHBondContact O-NZ 3.13Å
25P93Very high92Very high31 Ų3155.2 Ų55.220%0.20131%0.313CS..PPolyproline II helixtrans-68.6162.7177.928.1-33.8000111.5I13 T18 T23 V55 K272I13-P25 HydrophobicContact CD1-CG 4.21Å; I13-P25 HydrophobicContact CG1-CG 4.05Å; I13-P25 HydrophobicContact CG2-CG 3.74Å; T18-P25 HydrophobicContact CG2-CG 4.5Å; T23-P25 WeakPolarHBondContact O-CD 3.24Å; P25-V55 HydrophobicContact CG-CG2 3.9Å; P25-K272 WeakPolarHBondContact O-CE 3.47Å
26E94.5Very high92.2Very high119 Ų11954.9 Ų54.956%0.55631%0.313SS*.PPolyproline II helixtrans-66.2160.9169.5-66.3-51.413000111.5P28 K272E26-P28 WeakPolarHBondContact O-CD 3.32Å; E26-K272 IonicContact OE1-NZ 3.85Å; E26-K272 PolarHBondContact OE1-NZ 2.89Å
27I97Very high92.5Very high9 Ų949.3 Ų49.35%0.04628%0.283CS..PPolyproline II helixtrans-60.5120.1178.7-70.6155.3000109.3V55 L57 V224 K272 I274I27-V55 HydrophobicContact CG1-CG1 4.02Å; I27-L57 HydrophobicContact CD1-CD2 3.99Å; I27-L57 HydrophobicContact CG2-CG 4.27Å; I27-L57 WeakPolarHBondContact CG2-O 3.32Å; I27-V224 HydrophobicContact CD1-CG1 3.88Å; I27-V224 HydrophobicContact CG1-CG1 3.94Å; I27-K272 HydrophobicContact CD1-CB 3.82Å; I27-K272 HydrophobicContact CG1-CB 3.78Å; I27-I274 HydrophobicContact CB-CB 4.2Å; I27-I274 HydrophobicContact CB-CD1 4.08Å; I27-I274 HydrophobicContact CB-CG2 4.36Å; I27-I274 HydrophobicContact CD1-CB 3.81Å; I27-I274 HydrophobicContact CD1-CG2 3.74Å; I27-I274 HydrophobicContact CG2-CB 4.25Å; I27-I274 HydrophobicContact CG2-CD1 3.77Å; I27-I274 HydrophobicContact CG2-CG2 3.96Å
28P96.4Very high92.7Very high13 Ų1351.8 Ų51.88%0.08430%0.295CS..PPolyproline II helixtrans-69.7145.4-173.426.8-34.6000112I13 E26 Y30 A52 C58 K59I13-P28 HydrophobicContact CD1-CB 3.98Å; I13-P28 HydrophobicContact CD1-CG 3.75Å; E26-P28 WeakPolarHBondContact O-CD 3.32Å; P28-Y30 HydrophobicContact CB-CD2 4.43Å; P28-Y30 HydrophobicContact CB-CE2 3.61Å; P28-Y30 HydrophobicContact CG-CE2 3.76Å; P28-A52 HydrophobicContact CG-CB 4.02Å; P28-C58 HydrophobicContact CG-CB 3.87Å; P28-K59 PolarHBondContact O-N 3.1Å
29V97Very high93Very high54 Ų5455.1 Ų55.133%0.32731%0.312SS..EExtended strand (participates in β ladder)trans-116.4116177.2-179.80000108.6K59 I61 I274V29-K59 WeakPolarHBondContact CA-O 3.48Å; V29-K59 HydrophobicContact CG1-CB 4.47Å; V29-K59 HydrophobicContact CG1-CD 3.91Å; V29-K59 HydrophobicContact CG1-CG 4.4Å; V29-K59 HydrophobicContact CG2-CB 4.18Å; V29-K59 HydrophobicContact CG2-CD 4.15Å; V29-I61 HydrophobicContact CG1-CD1 3.64Å; V29-I61 HydrophobicContact CG1-CG1 4Å; V29-I274 HydrophobicContact CG2-CD1 3.84Å
30Y97Very high93.3Very high0 Ų052.3 Ų52.30%030%0.298CS..EExtended strand (participates in β ladder)trans-101.8139.9179.4-64.7-81.1000111.2L7 T10 P28 I47 L50 A52 C58 K59 V60 I61L7-Y30 HydrophobicContact CD2-CD1 3.89Å; L7-Y30 HydrophobicContact CD2-CG 4.17Å; T10-Y30 HydrophobicContact CG2-CD1 3.9Å; T10-Y30 HydrophobicContact CG2-CE1 3.47Å; T10-Y30 VanDerWaalsContact CG2-CE1 3.47Å; P28-Y30 HydrophobicContact CB-CD2 4.43Å; P28-Y30 HydrophobicContact CB-CE2 3.61Å; P28-Y30 HydrophobicContact CG-CE2 3.76Å; Y30-I47 HydrophobicContact CD1-CG1 4.02Å; Y30-I47 HydrophobicContact CD2-CD1 4.05Å; Y30-I47 HydrophobicContact CD2-CG1 3.97Å; Y30-I47 HydrophobicContact CD2-CG2 3.92Å; Y30-I47 HydrophobicContact CE1-CG1 4.35Å; Y30-I47 HydrophobicContact CE2-CB 4.47Å; Y30-I47 HydrophobicContact CE2-CG1 4.3Å; Y30-I47 HydrophobicContact CE2-CG2 3.63Å; Y30-I47 HydrophobicContact CG-CD1 3.98Å; Y30-I47 HydrophobicContact CG-CG1 3.83Å; Y30-L50 HydrophobicContact CD1-CD1 4.37Å; Y30-L50 HydrophobicContact CE1-CB 4.24Å; Y30-L50 HydrophobicContact CE1-CD1 3.71Å; Y30-A52 HydrophobicContact CE2-CB 3.85Å; Y30-C58 HydrophobicContact CD2-CB 4.1Å; Y30-C58 HydrophobicContact CE2-CB 3.94Å; Y30-K59 PolarHBondContact N-O 3.22Å; Y30-V60 WeakPolarHBondContact O-CA 3.34Å; Y30-I61 PolarHBondContact O-N 3.16Å
31K96.4Very high93.9Very high77 Ų7748.9 Ų48.934%0.33528%0.28SS..  trans-12573.5176.8-68.2177.3179177.80109.4D4 Y5 G6 I61D4-K31 VanDerWaalsContact O-CD 3.25Å; D4-K31 WeakPolarHBondContact O-CD 3.33Å; Y5-K31 CarbonylContact C-O 3.6Å; Y5-K31 WeakPolarHBondContact CA-O 3.43Å; Y5-K31 HydrophobicContact CD1-CB 3.78Å; Y5-K31 WeakPolarHBondContact CD1-O 3.47Å; Y5-K31 HydrophobicContact CE1-CB 4.08Å; Y5-K31 HydrophobicContact CG-CB 4.32Å; G6-K31 PolarHBondContact N-O 3.19Å; K31-I61 HydrophobicContact CG-CB 4.25Å; K31-I61 HydrophobicContact CG-CD1 4.5Å
32P96.4Very high94.6Very high0 Ų052 Ų520%029%0.292CS..  trans-59.7142.3-179.723-32.3000111.5Y5 L7 E36 F37 V60Y5-P32 WeakPolarHBondContact CD1-O 3.41Å; L7-P32 HydrophobicContact CD2-CB 3.87Å; L7-P32 HydrophobicContact CD2-CG 4.42Å; L7-P32 HydrophobicContact CG-CB 4.06Å; P32-E36 HydrophobicContact CB-CB 3.81Å; P32-F37 HydrophobicContact CB-CB 4.17Å; P32-F37 HydrophobicContact CB-CD2 4.28Å; P32-F37 HydrophobicContact CG-CB 4.2Å; P32-F37 HydrophobicContact CG-CD2 3.47Å; P32-F37 VanDerWaalsContact CG-CD2 3.47Å; P32-F37 HydrophobicContact CG-CE2 4.24Å; P32-F37 HydrophobicContact CG-CG 4.24Å; P32-V60 HydrophobicContact CG-CG1 3.78Å
33T94.9Very high95.2Very high49 Ų4947.7 Ų47.730%0.30126%0.257SS..  trans-62.7165.2165580000110.9A35 E36 F37T33-A35 PolarHBondContact O-N 3.35Å; T33-E36 WeakPolarHBondContact CB-OE2 3.32Å; T33-E36 WeakPolarHBondContact CG2-OE2 3.35Å; T33-E36 PolarHBondContact N-OE2 2.82Å; T33-E36 PolarHBondContact O-N 2.7Å; T33-E36 VanDerWaalsContact O-N 3.12Å; T33-E36 VanDerWaalsContact OG1-CD 3.3Å; T33-E36 WeakPolarHBondContact OG1-CG 3.49Å; T33-E36 PolarHBondContact OG1-N 3.28Å; T33-E36 PolarHBondContact OG1-OE2 2.88Å; T33-F37 WeakPolarHBondContact O-CB 3.23Å; T33-F37 PolarHBondContact O-N 3.32Å
34V94.2Very high95.5Very high74 Ų7444.5 Ų44.545%0.44824%0.238SC..Hα-helixtrans-53-41.2176.8-177.10000112.1F37 E38 P63 N65V34-F37 PolarHBondContact O-N 3.17Å; V34-E38 PolarHBondContact O-N 2.84Å; V34-P63 HydrophobicContact CG2-CB 3.94Å; V34-P63 HydrophobicContact CG2-CG 4.39Å; V34-N65 WeakPolarHBondContact CG2-OD1 3.43Å
35A94.4Very high95.8Very high76 Ų7646.8 Ų46.863%0.62825%0.254SS*.Hα-helixtrans-75.1-31.5179.900000113.7T33T33-A35 PolarHBondContact O-N 3.35Å
36E95.7Very high96Very high43 Ų4348.5 Ų48.520%0.20126%0.261CS..Hα-helixtrans-72.6-32.2172.1-71.7162136.300111.5G6 L7 P32 T33 C43G6-E36 WeakPolarHBondContact CA-OE2 3.24Å; L7-E36 WeakPolarHBondContact CB-OE1 3.47Å; L7-E36 HydrophobicContact CD1-CB 4.1Å; L7-E36 HydrophobicContact CD1-CG 4.31Å; L7-E36 HydrophobicContact CG-CB 4.28Å; L7-E36 HydrophobicContact CG-CG 4.36Å; L7-E36 PolarHBondContact N-OE1 2.88Å; L7-E36 PolarHBondContact N-OE2 3.46Å; P32-E36 HydrophobicContact CB-CB 3.81Å; T33-E36 WeakPolarHBondContact CB-OE2 3.32Å; T33-E36 WeakPolarHBondContact CG2-OE2 3.35Å; T33-E36 PolarHBondContact N-OE2 2.82Å; T33-E36 PolarHBondContact O-N 2.7Å; T33-E36 VanDerWaalsContact O-N 3.12Å; T33-E36 VanDerWaalsContact OG1-CD 3.3Å; T33-E36 WeakPolarHBondContact OG1-CG 3.49Å; T33-E36 PolarHBondContact OG1-N 3.28Å; T33-E36 PolarHBondContact OG1-OE2 2.88Å; E36-C43 VanDerWaalsContact O-CB 3.29Å; E36-C43 WeakPolarHBondContact O-CB 3.49Å
37F95.9Very high96.1Very high3 Ų342.9 Ų42.91%0.01323%0.234CC..Hα-helixtrans-79.9-17.1-178.3-160.9-112000113.8P32 T33 V34 D39 V60 P62 P63 W66 I161 W162 F281P32-F37 HydrophobicContact CB-CB 4.17Å; P32-F37 HydrophobicContact CB-CD2 4.28Å; P32-F37 HydrophobicContact CG-CB 4.2Å; P32-F37 HydrophobicContact CG-CD2 3.47Å; P32-F37 VanDerWaalsContact CG-CD2 3.47Å; P32-F37 HydrophobicContact CG-CE2 4.24Å; P32-F37 HydrophobicContact CG-CG 4.24Å; T33-F37 WeakPolarHBondContact O-CB 3.23Å; T33-F37 PolarHBondContact O-N 3.32Å; V34-F37 PolarHBondContact O-N 3.17Å; F37-D39 PolarHBondContact O-N 3.39Å; F37-V60 HydrophobicContact CE2-CG1 4.17Å; F37-P62 HydrophobicContact CE1-CB 4.01Å; F37-P62 HydrophobicContact CE2-CB 4.16Å; F37-P62 HydrophobicContact CZ-CB 3.64Å; F37-P63 HydrophobicContact CB-CG 3.69Å; F37-P63 VanDerWaalsContact CD1-CD 3.48Å; F37-P63 HydrophobicContact CD1-CG 3.96Å; F37-P63 VanDerWaalsContact CG-CD 3.46Å; F37-P63 HydrophobicContact CG-CG 3.86Å; F37-W66 HydrophobicContact CD1-CB 4.49Å; F37-W66 HydrophobicContact CD1-CG 4.27Å; F37-W66 HydrophobicContact CE1-CB 4.17Å; F37-W66 AromaticContact CE1-CD1 3.6Å; F37-W66 AromaticContact CE1-CD2 3.86Å; F37-W66 HydrophobicContact CE1-CD2 3.86Å; F37-W66 AromaticContact CE1-CG 3.61Å; F37-W66 HydrophobicContact CE1-CG 3.61Å; F37-W66 AromaticContact CE1-NE1 3.81Å; F37-W66 HydrophobicContact CZ-CD2 4.42Å; F37-I161 HydrophobicContact CD1-CG2 3.65Å; F37-I161 HydrophobicContact CE1-CG2 3.92Å; F37-I161 VanDerWaalsContact O-CG2 3.31Å; F37-I161 WeakPolarHBondContact O-CG2 3.44Å; F37-W162 AromaticContact CD1-CD1 3.96Å; F37-W162 HydrophobicContact CD1-CG 4.35Å; F37-W162 AromaticContact CD2-CD2 3.99Å; F37-W162 HydrophobicContact CD2-CD2 3.99Å; F37-W162 AromaticContact CD2-CE2 3.46Å; F37-W162 VanDerWaalsContact CD2-CE2 3.46Å; F37-W162 HydrophobicContact CD2-CG 4.33Å; F37-W162 HydrophobicContact CD2-CH2 4.45Å; F37-W162 AromaticContact CD2-CZ2 3.74Å; F37-W162 HydrophobicContact CD2-CZ2 3.74Å; F37-W162 AromaticContact CD2-NE1 3.5Å; F37-W162 HydrophobicContact CE1-CB 3.95Å; F37-W162 AromaticContact CE1-CD1 3.74Å; F37-W162 HydrophobicContact CE1-CD2 4.14Å; F37-W162 AromaticContact CE1-CG 3.68Å; F37-W162 HydrophobicContact CE1-CG 3.68Å; F37-W162 AromaticContact CE2-CD1 3.88Å; F37-W162 AromaticContact CE2-CD2 3.24Å; F37-W162 HydrophobicContact CE2-CD2 3.24Å; F37-W162 AromaticContact CE2-CE2 3.19Å; F37-W162 AromaticContact CE2-CE3 3.61Å; F37-W162 HydrophobicContact CE2-CE3 3.61Å; F37-W162 AromaticContact CE2-CG 3.72Å; F37-W162 HydrophobicContact CE2-CG 3.72Å; F37-W162 AromaticContact CE2-CH2 3.91Å; F37-W162 HydrophobicContact CE2-CH2 3.91Å; F37-W162 AromaticContact CE2-CZ2 3.56Å; F37-W162 HydrophobicContact CE2-CZ2 3.56Å; F37-W162 AromaticContact CE2-CZ3 3.93Å; F37-W162 HydrophobicContact CE2-CZ3 3.93Å; F37-W162 AromaticContact CE2-NE1 3.58Å; F37-W162 AromaticContact CG-NE1 3.84Å; F37-W162 HydrophobicContact CZ-CB 3.78Å; F37-W162 AromaticContact CZ-CD1 3.71Å; F37-W162 AromaticContact CZ-CD2 3.32Å; F37-W162 HydrophobicContact CZ-CD2 3.32Å; F37-W162 AromaticContact CZ-CE2 3.74Å; F37-W162 AromaticContact CZ-CE3 3.74Å; F37-W162 HydrophobicContact CZ-CE3 3.74Å; F37-W162 AromaticContact CZ-CG 3.33Å; F37-W162 HydrophobicContact CZ-CG 3.33Å; F37-W162 HydrophobicContact CZ-CZ2 4.48Å; F37-W162 HydrophobicContact CZ-CZ3 4.47Å; F37-W162 AromaticContact CZ-NE1 3.92Å; F37-W162 PolarHBondContact O-NE1 3.22Å; F37-F281 HydrophobicContact CZ-CD2 4.4Å; F37-F281 AromaticContact CZ-CE2 3.87Å; F37-F281 HydrophobicContact CZ-CE2 3.87Å
38E95.2Very high96Very high134 Ų13443.3 Ų43.363%0.62624%0.236SC*.SBendtrans-60.1-42.3-176-171.4171.7-166.200113.3V34V34-E38 PolarHBondContact O-N 2.84Å
39D95Very high95.9Very high70 Ų7046.3 Ų46.337%0.37426%0.257SS..  trans-105.9108.8176.8177.1-20.2000110.1F37 S41 K42 C43F37-D39 PolarHBondContact O-N 3.39Å; D39-S41 PolarHBondContact OD1-N 2.88Å; D39-K42 HydrophobicContact CB-CB 3.86Å; D39-K42 HydrophobicContact CB-CD 4.45Å; D39-K42 WeakPolarHBondContact OD1-CB 3.47Å; D39-K42 PolarHBondContact OD1-N 3.31Å; D39-K42 VanDerWaalsContact OD2-CB 3.27Å; D39-K42 WeakPolarHBondContact OD2-CB 3.28Å; D39-C43 WeakPolarHBondContact O-CB 3.39Å; D39-C43 PolarHBondContact O-N 2.94Å
40F96.6Very high95.9Very high10 Ų1044.9 Ų44.94%0.04425%0.247CC..Hα-helixtrans-57.6-52.8179.3171.3-107.9000112.8K42 C43 I44 W162 L167 I211 F305F40-K42 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 3.21Å; F40-C43 PolarHBondContact O-N 3.02Å; F40-I44 HydrophobicContact CD2-CD1 4.45Å; F40-I44 HydrophobicContact CD2-CG1 3.97Å; F40-I44 HydrophobicContact CE1-CG1 4.5Å; F40-I44 HydrophobicContact CE2-CD1 3.92Å; F40-I44 HydrophobicContact CE2-CG1 3.51Å; F40-I44 HydrophobicContact CZ-CG1 3.82Å; F40-I44 WeakPolarHBondContact O-CG1 3.48Å; F40-I44 PolarHBondContact O-N 3.3Å; F40-W162 AromaticContact CD2-CD2 3.75Å; F40-W162 HydrophobicContact CD2-CD2 3.75Å; F40-W162 AromaticContact CD2-CE2 3.65Å; F40-W162 HydrophobicContact CD2-CE3 4.07Å; F40-W162 HydrophobicContact CD2-CG 4.26Å; F40-W162 HydrophobicContact CD2-CH2 4.18Å; F40-W162 AromaticContact CD2-CZ2 3.88Å; F40-W162 HydrophobicContact CD2-CZ2 3.88Å; F40-W162 HydrophobicContact CD2-CZ3 4.27Å; F40-W162 HydrophobicContact CE2-CD2 4.43Å; F40-W162 HydrophobicContact CE2-CE3 4.3Å; F40-W162 HydrophobicContact CE2-CH2 4.29Å; F40-W162 HydrophobicContact CE2-CZ2 4.43Å; F40-W162 HydrophobicContact CE2-CZ3 4.23Å; F40-L167 HydrophobicContact CD1-CB 4.18Å; F40-L167 HydrophobicContact CD1-CD2 4.08Å; F40-L167 HydrophobicContact CD2-CD2 4.14Å; F40-L167 HydrophobicContact CE1-CB 4.14Å; F40-L167 HydrophobicContact CE1-CD1 4.27Å; F40-L167 HydrophobicContact CE1-CD2 4.25Å; F40-L167 HydrophobicContact CE1-CG 4.45Å; F40-L167 HydrophobicContact CE2-CD2 4.32Å; F40-L167 HydrophobicContact CG-CD2 4.02Å; F40-L167 HydrophobicContact CZ-CD1 4.21Å; F40-L167 HydrophobicContact CZ-CD2 4.37Å; F40-I211 HydrophobicContact CE2-CD1 3.82Å; F40-I211 HydrophobicContact CZ-CD1 4.35Å; F40-F305 HydrophobicContact CE1-CB 4.37Å; F40-F305 HydrophobicContact CE1-CD1 4.38Å; F40-F305 AromaticContact CE1-CD2 3.69Å; F40-F305 HydrophobicContact CE1-CD2 3.69Å; F40-F305 AromaticContact CE1-CE2 4Å; F40-F305 HydrophobicContact CE1-CE2 4Å; F40-F305 AromaticContact CE1-CG 3.9Å; F40-F305 HydrophobicContact CE1-CG 3.9Å; F40-F305 HydrophobicContact CE1-CZ 4.46Å; F40-F305 AromaticContact CZ-CD1 3.87Å; F40-F305 HydrophobicContact CZ-CD1 3.87Å; F40-F305 AromaticContact CZ-CD2 3.77Å; F40-F305 HydrophobicContact CZ-CD2 3.77Å; F40-F305 AromaticContact CZ-CE1 3.81Å; F40-F305 HydrophobicContact CZ-CE1 3.81Å; F40-F305 AromaticContact CZ-CE2 3.72Å; F40-F305 HydrophobicContact CZ-CE2 3.72Å; F40-F305 AromaticContact CZ-CG 3.85Å; F40-F305 HydrophobicContact CZ-CG 3.85Å; F40-F305 AromaticContact CZ-CZ 3.73Å; F40-F305 HydrophobicContact CZ-CZ 3.73Å
41S95.7Very high95.8Very high16 Ų1644.9 Ų44.911%0.11225%0.248CC..Hα-helixtrans-62.7-41.2-175.8-92.30000111.6D39 S45 D168D39-S41 PolarHBondContact OD1-N 2.88Å; S41-S45 VanDerWaalsContact O-CB 3.31Å; S41-S45 WeakPolarHBondContact O-CB 3.14Å; S41-S45 PolarHBondContact O-N 3.38Å; S41-S45 PolarHBondContact O-OG 3.48Å; S41-D168 PolarHBondContact OG-O 2.88Å
42K95.9Very high95.8Very high147 Ų14741.2 Ų41.264%0.63923%0.232SC*.Hα-helixtrans-68.9-40.7176.2-173.8-179.1-180-174.90112.3D39 F40 S45 M46D39-K42 HydrophobicContact CB-CB 3.86Å; D39-K42 HydrophobicContact CB-CD 4.45Å; D39-K42 WeakPolarHBondContact OD1-CB 3.47Å; D39-K42 PolarHBondContact OD1-N 3.31Å; D39-K42 VanDerWaalsContact OD2-CB 3.27Å; D39-K42 WeakPolarHBondContact OD2-CB 3.28Å; F40-K42 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 3.21Å; K42-S45 PolarHBondContact O-N 3.04Å; K42-M46 WeakPolarHBondContact O-CB 3.36Å; K42-M46 PolarHBondContact O-N 3.03Å
43C96.9Very high95.9Very high2 Ų242.4 Ų42.41%0.01424%0.238CC..Hα-helixtrans-60.7-49175.9-171.40000111.6E36 D39 F40 M46 I47 W162E36-C43 VanDerWaalsContact O-CB 3.29Å; E36-C43 WeakPolarHBondContact O-CB 3.49Å; D39-C43 WeakPolarHBondContact O-CB 3.39Å; D39-C43 PolarHBondContact O-N 2.94Å; F40-C43 PolarHBondContact O-N 3.02Å; C43-M46 PolarHBondContact O-N 3.28Å; C43-I47 WeakPolarHBondContact O-CG1 3.43Å; C43-I47 PolarHBondContact O-N 2.66Å; C43-W162 HydrophobicContact CB-CZ2 3.92Å
44I97.2Very high96Very high0 Ų040.9 Ų40.90%023%0.227CC..Hα-helixtrans-66.5-38.5177.9-55.9-54.2000110.8F40 M46 I47 E48 W162 I283 F305 L307F40-I44 HydrophobicContact CD2-CD1 4.45Å; F40-I44 HydrophobicContact CD2-CG1 3.97Å; F40-I44 HydrophobicContact CE1-CG1 4.5Å; F40-I44 HydrophobicContact CE2-CD1 3.92Å; F40-I44 HydrophobicContact CE2-CG1 3.51Å; F40-I44 HydrophobicContact CZ-CG1 3.82Å; F40-I44 WeakPolarHBondContact O-CG1 3.48Å; F40-I44 PolarHBondContact O-N 3.3Å; I44-M46 VanDerWaalsContact C-N 3.31Å; I44-M46 PolarHBondContact O-N 2.91Å; I44-I47 HydrophobicContact CD1-CD1 4.31Å; I44-I47 CarbonylContact O-C 3Å; I44-I47 WeakPolarHBondContact O-CB 3.43Å; I44-I47 PolarHBondContact O-N 2.66Å; I44-I47 VanDerWaalsContact O-N 3.17Å; I44-E48 VanDerWaalsContact O-CG 3.3Å; I44-E48 WeakPolarHBondContact O-CG 3.32Å; I44-E48 PolarHBondContact O-N 3.17Å; I44-W162 HydrophobicContact CD1-CH2 3.56Å; I44-W162 HydrophobicContact CD1-CZ2 4.07Å; I44-W162 HydrophobicContact CD1-CZ3 4.39Å; I44-I283 HydrophobicContact CD1-CD1 3.93Å; I44-I283 HydrophobicContact CD1-CG1 3.92Å; I44-F305 HydrophobicContact CG1-CE2 4.39Å; I44-F305 HydrophobicContact CG1-CZ 4.31Å; I44-F305 HydrophobicContact CG2-CE2 4.08Å; I44-F305 HydrophobicContact CG2-CZ 4.11Å; I44-L307 HydrophobicContact CB-CD1 4.14Å; I44-L307 HydrophobicContact CG2-CD1 3.76Å
45S96.5Very high96.1Very high56 Ų5637.4 Ų37.439%0.39221%0.206SC..Hα-helixtrans-61.3-37.9175.2-59.40000112.5S41 K42 E48 S49S41-S45 VanDerWaalsContact O-CB 3.31Å; S41-S45 WeakPolarHBondContact O-CB 3.14Å; S41-S45 PolarHBondContact O-N 3.38Å; S41-S45 PolarHBondContact O-OG 3.48Å; K42-S45 PolarHBondContact O-N 3.04Å; S45-E48 WeakPolarHBondContact O-CB 3.22Å; S45-E48 PolarHBondContact O-N 3.21Å; S45-S49 PolarHBondContact O-N 3.35Å
46M96.1Very high96.3Very high67 Ų6733.8 Ų33.833%0.3318%0.176SC..Hα-helixtrans-69-39.4174.5-173168.7176.900111.5L7 A8 K42 C43 I44 E48 S49 L50L7-M46 HydrophobicContact CB-CE 3.87Å; L7-M46 HydrophobicContact CB-CG 4.4Å; L7-M46 HydrophobicContact CB-SD 4.07Å; L7-M46 HydrophobicContact CD1-CB 3.96Å; L7-M46 HydrophobicContact CD1-CG 3.91Å; L7-M46 HydrophobicContact CD1-SD 3.74Å; A8-M46 HydrophobicContact CB-CE 4.38Å; K42-M46 WeakPolarHBondContact O-CB 3.36Å; K42-M46 PolarHBondContact O-N 3.03Å; C43-M46 PolarHBondContact O-N 3.28Å; I44-M46 VanDerWaalsContact C-N 3.31Å; I44-M46 PolarHBondContact O-N 2.91Å; M46-E48 VanDerWaalsContact C-N 3.32Å; M46-E48 PolarHBondContact O-N 3.49Å; M46-S49 WeakPolarHBondContact CA-OG 3.47Å; M46-S49 PolarHBondContact O-N 3.41Å; M46-S49 PolarHBondContact O-OG 3.13Å; M46-L50 WeakPolarHBondContact O-CG 3.17Å; M46-L50 PolarHBondContact O-N 3.18Å; M46-L50 VanDerWaalsContact O-N 3.13Å
47I97.4Very high96.4Very high0 Ų031.7 Ų31.70%017%0.166CC..Hα-helixtrans-61.3-38.8171.6-73.1169.3000111.6L7 Y30 C43 I44 L50 A52 V60 F285L7-I47 HydrophobicContact CD1-CG1 4.41Å; L7-I47 HydrophobicContact CD2-CD1 4.16Å; L7-I47 HydrophobicContact CD2-CG1 3.95Å; Y30-I47 HydrophobicContact CD1-CG1 4.02Å; Y30-I47 HydrophobicContact CD2-CD1 4.05Å; Y30-I47 HydrophobicContact CD2-CG1 3.97Å; Y30-I47 HydrophobicContact CD2-CG2 3.92Å; Y30-I47 HydrophobicContact CE1-CG1 4.35Å; Y30-I47 HydrophobicContact CE2-CB 4.47Å; Y30-I47 HydrophobicContact CE2-CG1 4.3Å; Y30-I47 HydrophobicContact CE2-CG2 3.63Å; Y30-I47 HydrophobicContact CG-CD1 3.98Å; Y30-I47 HydrophobicContact CG-CG1 3.83Å; C43-I47 WeakPolarHBondContact O-CG1 3.43Å; C43-I47 PolarHBondContact O-N 2.66Å; I44-I47 HydrophobicContact CD1-CD1 4.31Å; I44-I47 CarbonylContact O-C 3Å; I44-I47 WeakPolarHBondContact O-CB 3.43Å; I44-I47 PolarHBondContact O-N 2.66Å; I44-I47 VanDerWaalsContact O-N 3.17Å; I47-L50 PolarHBondContact O-N 2.91Å; I47-A52 HydrophobicContact CG2-CB 3.6Å; I47-A52 WeakPolarHBondContact O-CB 3.41Å; I47-V60 HydrophobicContact CD1-CG2 3.74Å; I47-F285 HydrophobicContact CG2-CZ 4.05Å
48E95.3Very high96.5Very high19 Ų1931.6 Ų31.69%0.08917%0.166CC..Hα-helixtrans-61.7-44.5172.6-62.8-131.3112.200111.6I44 S45 M46 L50 G51 H53 Y209 F285 L307 R309I44-E48 VanDerWaalsContact O-CG 3.3Å; I44-E48 WeakPolarHBondContact O-CG 3.32Å; I44-E48 PolarHBondContact O-N 3.17Å; S45-E48 WeakPolarHBondContact O-CB 3.22Å; S45-E48 PolarHBondContact O-N 3.21Å; M46-E48 VanDerWaalsContact C-N 3.32Å; M46-E48 PolarHBondContact O-N 3.49Å; E48-L50 PolarHBondContact O-N 2.85Å; E48-G51 PolarHBondContact O-N 3.08Å; E48-H53 PolarHBondContact O-CE1 2.82Å; E48-H53 PolarHBondContact O-ND1 3.48Å; E48-Y209 WeakPolarHBondContact OE1-CE1 3.5Å; E48-Y209 PolarHBondContact OE1-OH 3.22Å; E48-Y209 PolarHBondContact OE2-OH 3.05Å; E48-Y209 VanDerWaalsContact OE2-OH 3.06Å; E48-F285 HydrophobicContact CG-CE1 4.03Å; E48-F285 VanDerWaalsContact OE1-CD1 3.27Å; E48-F285 WeakPolarHBondContact OE1-CD1 3.24Å; E48-L307 HydrophobicContact CG-CD1 4.17Å; E48-R309 VanDerWaalsContact CD-NE 3.29Å; E48-R309 IonicContact OE1-CZ 3.46Å; E48-R309 IonicContact OE1-NE 2.8Å; E48-R309 PolarHBondContact OE1-NE 3.18Å; E48-R309 IonicContact OE1-NH2 2.73Å; E48-R309 PolarHBondContact OE1-NH2 2.94Å; E48-R309 WeakPolarHBondContact OE2-CD 3.45Å; E48-R309 IonicContact OE2-CZ 3.47Å; E48-R309 IonicContact OE2-NE 3.19Å; E48-R309 PolarHBondContact OE2-NE 3.41Å; E48-R309 IonicContact OE2-NH2 2.88Å
49S94.9Very high96.7Very high76 Ų7626 Ų2653%0.53114%0.139SC..Hα-helixtrans-65.9-16.6178.675.70000114F12 S45 M46 G51F12-S49 WeakPolarHBondContact CD2-O 3.32Å; F12-S49 WeakPolarHBondContact CE2-O 3.49Å; S45-S49 PolarHBondContact O-N 3.35Å; M46-S49 WeakPolarHBondContact CA-OG 3.47Å; M46-S49 PolarHBondContact O-N 3.41Å; M46-S49 PolarHBondContact O-OG 3.13Å; S49-G51 VanDerWaalsContact C-N 3.32Å
50L96.1Very high96.8Very high23 Ų2322.6 Ų22.612%0.1212%0.121CC..THydrogen-bonded Turntrans-88.96.4171.4-66169.5000113L7 I13 Y30 M46 I47 E48L7-L50 HydrophobicContact CB-CD1 4.24Å; L7-L50 WeakPolarHBondContact O-CD1 3.44Å; I13-L50 PolarHBondContact N-O 3.18Å; Y30-L50 HydrophobicContact CD1-CD1 4.37Å; Y30-L50 HydrophobicContact CE1-CB 4.24Å; Y30-L50 HydrophobicContact CE1-CD1 3.71Å; M46-L50 WeakPolarHBondContact O-CG 3.17Å; M46-L50 PolarHBondContact O-N 3.18Å; M46-L50 VanDerWaalsContact O-N 3.13Å; I47-L50 PolarHBondContact O-N 2.91Å; E48-L50 PolarHBondContact O-N 2.85Å
51G95.3Very high96.9Very high1 Ų124 Ų241%0.0113%0.129CC..THydrogen-bonded Turntrans86.11.9172.800000115.8E48 S49 H53 H54E48-G51 PolarHBondContact O-N 3.08Å; S49-G51 VanDerWaalsContact C-N 3.32Å; G51-H53 PolarHBondContact O-N 3.37Å; G51-H54 WeakPolarHBondContact O-CB 3.49Å; G51-H54 PolarHBondContact O-N 2.94Å
52A96.9Very high96.9Very high0 Ų023.9 Ų23.90%013%0.128CC..G310 helixtrans-53-35-177.400000113.9P28 Y30 I47 H54 V55 G56 C58 F285P28-A52 HydrophobicContact CG-CB 4.02Å; Y30-A52 HydrophobicContact CE2-CB 3.85Å; I47-A52 HydrophobicContact CG2-CB 3.6Å; I47-A52 WeakPolarHBondContact O-CB 3.41Å; A52-H54 PolarHBondContact O-N 3.08Å; A52-V55 PolarHBondContact O-N 3.34Å; A52-G56 PolarHBondContact O-N 2.89Å; A52-C58 HydrophobicContact CB-CB 4.24Å; A52-F285 HydrophobicContact CB-CE2 4.15Å; A52-F285 HydrophobicContact CB-CZ 3.78Å
53H97Very high96.9Very high25 Ų2517.1 Ų17.112%0.11610%0.099CC..G310 helixtrans-64.7-22.7-179.670-83.2000113.7E48 G51 V55 G56 F285E48-H53 PolarHBondContact O-CE1 2.82Å; E48-H53 PolarHBondContact O-ND1 3.48Å; G51-H53 PolarHBondContact O-N 3.37Å; H53-V55 VanDerWaalsContact C-N 3.29Å; H53-V55 PolarHBondContact O-N 3.31Å; H53-G56 PolarHBondContact O-N 3.34Å; H53-F285 HydrophobicContact CB-CB 4.31Å; H53-F285 HydrophobicContact CB-CD1 3.43Å; H53-F285 VanDerWaalsContact CB-CD1 3.43Å; H53-F285 HydrophobicContact CB-CE1 3.85Å; H53-F285 HydrophobicContact CB-CG 3.87Å
54H96.9Very high96.6Very high17 Ų1721.7 Ų21.78%0.07913%0.13CC..G310 helixtrans-71.9-21.2173.3-60.5-44.4000113T18 G51 A52 P227 Y360T18-H54 HydrophobicContact CG2-CB 3.66Å; G51-H54 WeakPolarHBondContact O-CB 3.49Å; G51-H54 PolarHBondContact O-N 2.94Å; A52-H54 PolarHBondContact O-N 3.08Å; H54-P227 WeakPolarHBondContact O-CD 3.4Å; H54-Y360 AromaticContact ND1-CE1 3.73Å; H54-Y360 AromaticContact ND1-CZ 3.75Å; H54-Y360 PolarHBondContact ND1-OH 3.08Å
55V97.2Very high96.3Very high0 Ų026.7 Ų26.70%016%0.157CC..THydrogen-bonded Turntrans-86.6-26.4170.6-176.70000111.4I13 T18 P25 I27 A52 H53 V224 P226I13-V55 HydrophobicContact CD1-CG2 3.97Å; I13-V55 HydrophobicContact CG2-CG2 4.27Å; T18-V55 HydrophobicContact CG2-CG2 4.24Å; P25-V55 HydrophobicContact CG-CG2 3.9Å; I27-V55 HydrophobicContact CG1-CG1 4.02Å; A52-V55 PolarHBondContact O-N 3.34Å; H53-V55 VanDerWaalsContact C-N 3.29Å; H53-V55 PolarHBondContact O-N 3.31Å; V55-V224 HydrophobicContact CG1-CG1 4.29Å; V55-V224 WeakPolarHBondContact O-CG2 3.45Å; V55-P226 WeakPolarHBondContact O-CA 3.32Å
56G97.7Very high96.2Very high0 Ų025.3 Ų25.30%014%0.144CC..SBendtrans88.5-7.5175.200000115.5A52 H53 F285 A288A52-G56 PolarHBondContact O-N 2.89Å; H53-G56 PolarHBondContact O-N 3.34Å; G56-F285 VanDerWaalsContact C-CD2 3.49Å; G56-F285 WeakPolarHBondContact O-CD2 3.42Å; G56-F285 PolarHBondContact O-N 2.9Å; G56-F285 VanDerWaalsContact O-N 3.14Å; G56-A288 WeakPolarHBondContact O-CB 3.17Å
57L98.4Very high96.1Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-148.4143.6176.8-178.862.8000108.7I27 W222 V224 I274 M282 I283 T284I27-L57 HydrophobicContact CD1-CD2 3.99Å; I27-L57 HydrophobicContact CG2-CG 4.27Å; I27-L57 WeakPolarHBondContact CG2-O 3.32Å; L57-W222 HydrophobicContact CD1-CE3 4.2Å; L57-W222 HydrophobicContact CD2-CB 3.76Å; L57-W222 HydrophobicContact CD2-CE3 4.34Å; L57-W222 HydrophobicContact CD2-CG 4.37Å; L57-V224 HydrophobicContact CB-CB 3.78Å; L57-V224 HydrophobicContact CB-CG1 3.98Å; L57-V224 HydrophobicContact CB-CG2 3.77Å; L57-V224 HydrophobicContact CD2-CB 4.02Å; L57-V224 HydrophobicContact CD2-CG1 4.44Å; L57-I274 HydrophobicContact CD2-CG2 4.25Å; L57-M282 HydrophobicContact CD1-CE 3.54Å; L57-M282 HydrophobicContact CD2-CE 3.82Å; L57-M282 HydrophobicContact CG-CE 3.58Å; L57-I283 WeakPolarHBondContact CA-O 3.31Å; L57-I283 WeakPolarHBondContact CD1-O 3.37Å; L57-T284 HydrophobicContact CD1-CG2 3.98Å
58C98.3Very high95.9Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-140.8162.4165.376.50000111.8P28 Y30 A52 M282 I283 F285P28-C58 HydrophobicContact CG-CB 3.87Å; Y30-C58 HydrophobicContact CD2-CB 4.1Å; Y30-C58 HydrophobicContact CE2-CB 3.94Å; A52-C58 HydrophobicContact CB-CB 4.24Å; C58-M282 WeakPolarHBondContact O-CA 3.06Å; C58-M282 WeakPolarHBondContact O-CE 3.35Å; C58-I283 PolarHBondContact N-O 2.85Å; C58-I283 PolarHBondContact O-N 3.3Å; C58-F285 HydrophobicContact CB-CE2 4.09Å; C58-F285 HydrophobicContact CB-CZ 4.49Å
59K98.5Very high95.9Very high16 Ų1624.5 Ų24.57%0.0714%0.143CC..EExtended strand (participates in β ladder)trans-104.7140.2170-179.8-169-72.3-164.10109.5P28 V29 Y30 I61 I274 L275 E280 F281 M282P28-K59 PolarHBondContact O-N 3.1Å; V29-K59 WeakPolarHBondContact CA-O 3.48Å; V29-K59 HydrophobicContact CG1-CB 4.47Å; V29-K59 HydrophobicContact CG1-CD 3.91Å; V29-K59 HydrophobicContact CG1-CG 4.4Å; V29-K59 HydrophobicContact CG2-CB 4.18Å; V29-K59 HydrophobicContact CG2-CD 4.15Å; Y30-K59 PolarHBondContact N-O 3.22Å; K59-I61 HydrophobicContact CD-CD1 4.24Å; K59-I61 HydrophobicContact CD-CG1 3.92Å; K59-I61 HydrophobicContact CG-CG1 4.31Å; K59-I274 HydrophobicContact CB-CD1 4.12Å; K59-L275 WeakPolarHBondContact CE-O 3.49Å; K59-L275 PolarHBondContact NZ-O 3.41Å; K59-E280 HydrophobicContact CD-CB 4.43Å; K59-E280 HydrophobicContact CD-CG 4.41Å; K59-E280 WeakPolarHBondContact CD-OE1 3.47Å; K59-E280 WeakPolarHBondContact CD-OE2 3.39Å; K59-E280 WeakPolarHBondContact CE-OE2 3.34Å; K59-E280 HydrophobicContact CG-CB 4.42Å; K59-E280 IonicContact NZ-OE1 3.12Å; K59-E280 PolarHBondContact NZ-OE1 3.24Å; K59-E280 IonicContact NZ-OE2 2.85Å; K59-E280 PolarHBondContact NZ-OE2 2.81Å; K59-F281 CarbonylContact C-O 3.04Å; K59-F281 WeakPolarHBondContact CA-O 3.48Å; K59-F281 WeakPolarHBondContact CG-O 3.49Å; K59-M282 HydrophobicContact CB-CE 4.32Å; K59-M282 HydrophobicContact CB-SD 3.66Å; K59-M282 HydrophobicContact CG-SD 3.89Å
60V98.2Very high95.8Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-120.5120.7167.9-173.10000109.3Y30 P32 F37 I47 W162 F281 I283Y30-V60 WeakPolarHBondContact O-CA 3.34Å; P32-V60 HydrophobicContact CG-CG1 3.78Å; F37-V60 HydrophobicContact CE2-CG1 4.17Å; I47-V60 HydrophobicContact CD1-CG2 3.74Å; V60-W162 HydrophobicContact CB-CH2 4.09Å; V60-W162 HydrophobicContact CB-CZ3 4.2Å; V60-W162 HydrophobicContact CG1-CH2 3.79Å; V60-W162 HydrophobicContact CG1-CZ2 4.49Å; V60-W162 HydrophobicContact CG1-CZ3 4.17Å; V60-W162 HydrophobicContact CG2-CH2 4.05Å; V60-W162 HydrophobicContact CG2-CZ3 4.46Å; V60-F281 HydrophobicContact CB-CB 4.18Å; V60-F281 PolarHBondContact N-O 3Å; V60-F281 WeakPolarHBondContact O-CB 3.25Å; V60-F281 PolarHBondContact O-N 2.84Å; V60-I283 HydrophobicContact CG2-CG1 4.21Å
61I97.4Very high95.6Very high39 Ų3932.6 Ų32.620%0.216%0.163CC..PPolyproline II helixtrans-95.8116.7173.6-58.1177.5000106.8V29 Y30 K31 K59 E280V29-I61 HydrophobicContact CG1-CD1 3.64Å; V29-I61 HydrophobicContact CG1-CG1 4Å; Y30-I61 PolarHBondContact O-N 3.16Å; K31-I61 HydrophobicContact CG-CB 4.25Å; K31-I61 HydrophobicContact CG-CD1 4.5Å; K59-I61 HydrophobicContact CD-CD1 4.24Å; K59-I61 HydrophobicContact CD-CG1 3.92Å; K59-I61 HydrophobicContact CG-CG1 4.31Å; I61-E280 HydrophobicContact CG1-CG 4.26Å
62P96.7Very high95.5Very high14 Ų1433.8 Ų33.89%0.09118%0.176CC..PPolyproline II helixtrans-66.3160.2-17627.4-34.1000112.2F37 W66 G279 F281F37-P62 HydrophobicContact CE1-CB 4.01Å; F37-P62 HydrophobicContact CE2-CB 4.16Å; F37-P62 HydrophobicContact CZ-CB 3.64Å; P62-W66 HydrophobicContact CB-CB 4.38Å; P62-W66 HydrophobicContact CB-CD2 4.19Å; P62-W66 HydrophobicContact CB-CE3 3.66Å; P62-W66 HydrophobicContact CB-CZ3 4.33Å; P62-W66 HydrophobicContact CG-CE3 3.79Å; P62-W66 HydrophobicContact CG-CZ3 4.12Å; P62-G279 WeakPolarHBondContact CD-O 3.25Å; P62-G279 VanDerWaalsContact CG-O 3.31Å; P62-G279 WeakPolarHBondContact CG-O 3.36Å; P62-F281 HydrophobicContact CB-CE2 4.34Å; P62-F281 HydrophobicContact CG-CD2 4.45Å; P62-F281 HydrophobicContact CG-CE2 4.36Å
63P95.4Very high95.4Very high5 Ų535.4 Ų35.43%0.03218%0.182CC..PPolyproline II helixtrans-53.3141.3167.4-23.532.6000111.6V34 F37 N65 W66V34-P63 HydrophobicContact CG2-CB 3.94Å; V34-P63 HydrophobicContact CG2-CG 4.39Å; F37-P63 HydrophobicContact CB-CG 3.69Å; F37-P63 VanDerWaalsContact CD1-CD 3.48Å; F37-P63 HydrophobicContact CD1-CG 3.96Å; F37-P63 VanDerWaalsContact CG-CD 3.46Å; F37-P63 HydrophobicContact CG-CG 3.86Å; P63-N65 VanDerWaalsContact CB-OD1 3.23Å; P63-N65 WeakPolarHBondContact CB-OD1 3.29Å; P63-N65 PolarHBondContact O-N 3.1Å; P63-W66 PolarHBondContact O-N 3.14Å
64S91Very high95.2Very high97 Ų9741.7 Ų41.768%0.67822%0.216SC*.THydrogen-bonded Turntrans-65.2-8.8-173.766.80000115.5
65N90.9Very high95Very high106 Ų10644.2 Ų44.257%0.56723%0.23SC*.THydrogen-bonded Turntrans-97.8-8.217465.5-48000113.3V34 P63V34-N65 WeakPolarHBondContact CG2-OD1 3.43Å; P63-N65 VanDerWaalsContact CB-OD1 3.23Å; P63-N65 WeakPolarHBondContact CB-OD1 3.29Å; P63-N65 PolarHBondContact O-N 3.1Å
66W95.3Very high94.9Very high27 Ų2744.3 Ų44.310%0.10223%0.231CC..  trans-85140.3173.2179.994.1000110.1F37 P62 P63 M155 Q159 I161 W162 Y213 F281F37-W66 HydrophobicContact CD1-CB 4.49Å; F37-W66 HydrophobicContact CD1-CG 4.27Å; F37-W66 HydrophobicContact CE1-CB 4.17Å; F37-W66 AromaticContact CE1-CD1 3.6Å; F37-W66 AromaticContact CE1-CD2 3.86Å; F37-W66 HydrophobicContact CE1-CD2 3.86Å; F37-W66 AromaticContact CE1-CG 3.61Å; F37-W66 HydrophobicContact CE1-CG 3.61Å; F37-W66 AromaticContact CE1-NE1 3.81Å; F37-W66 HydrophobicContact CZ-CD2 4.42Å; P62-W66 HydrophobicContact CB-CB 4.38Å; P62-W66 HydrophobicContact CB-CD2 4.19Å; P62-W66 HydrophobicContact CB-CE3 3.66Å; P62-W66 HydrophobicContact CB-CZ3 4.33Å; P62-W66 HydrophobicContact CG-CE3 3.79Å; P62-W66 HydrophobicContact CG-CZ3 4.12Å; P63-W66 PolarHBondContact O-N 3.14Å; W66-M155 HydrophobicContact CH2-CE 4.27Å; W66-Q159 HydrophobicContact CZ2-CG 4.49Å; W66-I161 PolarHBondContact NE1-O 2.86Å; W66-W162 HydrophobicContact CZ2-CB 4.27Å; W66-Y213 HydrophobicContact CH2-CD2 4.32Å; W66-Y213 HydrophobicContact CH2-CE1 4.47Å; W66-Y213 AromaticContact CH2-CE2 3.84Å; W66-Y213 HydrophobicContact CH2-CE2 3.84Å; W66-Y213 AromaticContact CH2-CZ 3.92Å; W66-Y213 HydrophobicContact CZ3-CD2 4.4Å; W66-Y213 AromaticContact CZ3-CE2 3.54Å; W66-Y213 HydrophobicContact CZ3-CE2 3.54Å; W66-Y213 AromaticContact CZ3-CZ 3.67Å; W66-F281 HydrophobicContact CE3-CE2 4.38Å; W66-F281 AromaticContact CH2-CE2 3.6Å; W66-F281 HydrophobicContact CH2-CE2 3.6Å; W66-F281 AromaticContact CH2-CZ 3.38Å; W66-F281 HydrophobicContact CH2-CZ 3.38Å; W66-F281 HydrophobicContact CZ2-CE2 4.14Å; W66-F281 AromaticContact CZ2-CZ 3.77Å; W66-F281 HydrophobicContact CZ2-CZ 3.77Å; W66-F281 AromaticContact CZ3-CE2 3.73Å; W66-F281 HydrophobicContact CZ3-CE2 3.73Å; W66-F281 HydrophobicContact CZ3-CZ 4.02Å
67V92.9Very high94.6Very high60 Ų6046.9 Ų46.936%0.36425%0.245SC..  trans-148.4125.2177.353.40000109.2R69 R70 Q159V67-R69 VanDerWaalsContact C-N 3.29Å; V67-R69 WeakPolarHBondContact CG2-O 3.38Å; V67-R69 PolarHBondContact O-N 3.22Å; V67-R70 HydrophobicContact CG1-CG 3.69Å; V67-Q159 PolarHBondContact O-NE2 3.02Å
68G92.8Very high94.4Very high0 Ų053 Ų530%027%0.274CS..SBendtrans-68.1-27.4178.500000113.5M155 D156G68-M155 CarbonylContact O-C 3.59Å; G68-M155 VanDerWaalsContact O-CA 3.24Å; G68-M155 WeakPolarHBondContact O-CA 3.37Å; G68-D156 PolarHBondContact O-N 3.01Å
69R95.2Very high94.2Very high9 Ų957 Ų573%0.03429%0.289CS..  trans-149.1102.7-175.5-166.8-179.1-155-129.10112.4V67 K71 G72 Y73 D75 L154 D156V67-R69 VanDerWaalsContact C-N 3.29Å; V67-R69 WeakPolarHBondContact CG2-O 3.38Å; V67-R69 PolarHBondContact O-N 3.22Å; R69-K71 HydrophobicContact CG-CG 4.31Å; R69-K71 PolarHBondContact O-N 2.9Å; R69-G72 VanDerWaalsContact CD-O 3.3Å; R69-G72 WeakPolarHBondContact CD-O 3.38Å; R69-G72 PolarHBondContact NH1-O 2.9Å; R69-Y73 HydrophobicContact CB-CE1 4.48Å; R69-D75 IonicContact CZ-OD1 2.88Å; R69-D75 IonicContact CZ-OD2 3.13Å; R69-D75 IonicContact NH1-OD1 2.7Å; R69-D75 PolarHBondContact NH1-OD1 3.47Å; R69-D75 VanDerWaalsContact NH2-CG 3.28Å; R69-D75 IonicContact NH2-OD1 2.67Å; R69-D75 PolarHBondContact NH2-OD1 3.14Å; R69-D75 IonicContact NH2-OD2 2.79Å; R69-D75 PolarHBondContact NH2-OD2 2.96Å; R69-L154 WeakPolarHBondContact CD-O 3.11Å; R69-L154 WeakPolarHBondContact CG-O 3.49Å; R69-L154 PolarHBondContact NE-O 3.06Å; R69-D156 WeakPolarHBondContact CA-OD2 3.32Å
70R93.6Very high94Very high139 Ų13960.4 Ų60.453%0.52531%0.307SS..THydrogen-bonded Turntrans-70.3-29.3-169.5-66.4-176.8-57.5-84.14.1114.2V67 G72 D156 D158V67-R70 HydrophobicContact CG1-CG 3.69Å; R70-G72 VanDerWaalsContact C-N 3.29Å; R70-G72 PolarHBondContact O-N 2.6Å; R70-D156 IonicContact CZ-OD2 2.71Å; R70-D156 PolarHBondContact N-OD2 3.32Å; R70-D156 IonicContact NE-OD2 2.93Å; R70-D156 IonicContact NH1-OD2 3.4Å; R70-D156 PolarHBondContact NH1-OD2 3.44Å; R70-D158 IonicContact CZ-OD1 3.85Å; R70-D158 VanDerWaalsContact CZ-OD1 3.29Å; R70-D158 IonicContact CZ-OD2 2.66Å; R70-D158 IonicContact NH1-OD1 3.98Å; R70-D158 PolarHBondContact NH1-OD1 3.21Å; R70-D158 IonicContact NH1-OD2 3.21Å; R70-D158 IonicContact NH2-OD1 3.05Å; R70-D158 PolarHBondContact NH2-OD1 3.49Å; R70-D158 IonicContact NH2-OD2 2.79Å; R70-D158 PolarHBondContact NH2-OD2 3.4Å
71K93.1Very high93.9Very high130 Ų13060.4 Ų60.457%0.56531%0.307SS*.THydrogen-bonded Turntrans-82.85.9-178.562.3169.2166.9172.70115.3R69 D75R69-K71 HydrophobicContact CG-CG 4.31Å; R69-K71 PolarHBondContact O-N 2.9Å; K71-D75 WeakPolarHBondContact CE-OD2 3.41Å; K71-D75 IonicContact NZ-OD2 2.67Å; K71-D75 PolarHBondContact NZ-OD2 3.47Å
72G93.1Very high93.7Very high26 Ų2662.6 Ų62.627%0.26832%0.316SS..  trans69.5-151.2-175.500000113R69 R70R69-G72 VanDerWaalsContact CD-O 3.3Å; R69-G72 WeakPolarHBondContact CD-O 3.38Å; R69-G72 PolarHBondContact NH1-O 2.9Å; R70-G72 VanDerWaalsContact C-N 3.29Å; R70-G72 PolarHBondContact O-N 2.6Å
73Y94.9Very high93.5Very high34 Ų3465 Ų6513%0.13333%0.325CS..SBendtrans-127.78.3-168.1-62.4-70.8000115.1R69 D75 I76 L154 H215 Y216R69-Y73 HydrophobicContact CB-CE1 4.48Å; Y73-D75 PolarHBondContact O-N 2.67Å; Y73-I76 VanDerWaalsContact O-CG1 3.24Å; Y73-I76 WeakPolarHBondContact O-CG1 3.23Å; Y73-I76 PolarHBondContact O-N 3.23Å; Y73-L154 HydrophobicContact CD1-CD1 4.33Å; Y73-L154 HydrophobicContact CE1-CD1 4.09Å; Y73-H215 HydrophobicContact CE1-CB 3.77Å; Y73-H215 AromaticContact CE1-ND1 3.6Å; Y73-H215 WeakPolarHBondContact CE2-O 3.27Å; Y73-H215 AromaticContact CZ-ND1 3.65Å; Y73-H215 WeakPolarHBondContact OH-CA 3.49Å; Y73-H215 WeakPolarHBondContact OH-CB 3.45Å; Y73-H215 PolarHBondContact OH-ND1 2.91Å; Y73-H215 PolarHBondContact OH-O 3.35Å; Y73-Y216 HydrophobicContact CD2-CD2 4.1Å; Y73-Y216 HydrophobicContact CG-CD2 4.31Å
74D92Very high93.5Very high156 Ų15664.7 Ų64.783%0.83432%0.324SS*.THydrogen-bonded Turntrans-70.9-16.3-175.4-56.7-43.2000113.7
75D92.8Very high93.8Very high70 Ų7061.7 Ų61.737%0.37430%0.3SS..THydrogen-bonded Turntrans-91.35.5-178.175.4-29.3000114.5R69 K71 Y73R69-D75 IonicContact CZ-OD1 2.88Å; R69-D75 IonicContact CZ-OD2 3.13Å; R69-D75 IonicContact NH1-OD1 2.7Å; R69-D75 PolarHBondContact NH1-OD1 3.47Å; R69-D75 VanDerWaalsContact NH2-CG 3.28Å; R69-D75 IonicContact NH2-OD1 2.67Å; R69-D75 PolarHBondContact NH2-OD1 3.14Å; R69-D75 IonicContact NH2-OD2 2.79Å; R69-D75 PolarHBondContact NH2-OD2 2.96Å; K71-D75 WeakPolarHBondContact CE-OD2 3.41Å; K71-D75 IonicContact NZ-OD2 2.67Å; K71-D75 PolarHBondContact NZ-OD2 3.47Å; Y73-D75 PolarHBondContact O-N 2.67Å
76I93.8Very high94Very high3 Ų357.1 Ų57.12%0.01528%0.275CS..  trans-93.3-11.1-172.875-174.4000114.6Y73 E78 R79 F108 L154 I299Y73-I76 VanDerWaalsContact O-CG1 3.24Å; Y73-I76 WeakPolarHBondContact O-CG1 3.23Å; Y73-I76 PolarHBondContact O-N 3.23Å; I76-E78 PolarHBondContact O-N 2.87Å; I76-R79 HydrophobicContact CB-CG 4.39Å; I76-R79 WeakPolarHBondContact O-CB 3.49Å; I76-R79 PolarHBondContact O-N 2.87Å; I76-F108 HydrophobicContact CD1-CD1 3.9Å; I76-F108 HydrophobicContact CD1-CE1 3.65Å; I76-F108 HydrophobicContact CD1-CZ 4.18Å; I76-F108 HydrophobicContact CG1-CD1 3.56Å; I76-F108 HydrophobicContact CG1-CE1 3.76Å; I76-F108 HydrophobicContact CG1-CG 4.33Å; I76-F108 WeakPolarHBondContact O-CB 3.27Å; I76-L154 HydrophobicContact CG2-CD2 4.45Å; I76-I299 HydrophobicContact CD1-CD1 3.32Å
77D93.4Very high94Very high54 Ų5456 Ų5629%0.28927%0.271SS..THydrogen-bonded Turntrans-59.5-22.5-173.6-87.7-3000113.3F108 S109 K112D77-F108 WeakPolarHBondContact OD1-CD1 3.34Å; D77-S109 VanDerWaalsContact O-CB 3.31Å; D77-S109 WeakPolarHBondContact O-CB 3.29Å; D77-S109 PolarHBondContact O-N 3.04Å; D77-S109 PolarHBondContact O-OG 2.72Å; D77-K112 IonicContact OD1-NZ 3.68Å; D77-K112 PolarHBondContact OD1-NZ 3.4Å; D77-K112 IonicContact OD2-NZ 2.7Å; D77-K112 PolarHBondContact OD2-NZ 3.44Å; D77-K112 VanDerWaalsContact OD2-NZ 3.12Å
78E93.9Very high93.9Very high129 Ų12953.3 Ų53.360%0.60326%0.255SS*.THydrogen-bonded Turntrans-92.3-7.3175.1-72.4-65.6131.600114.7I76 K107I76-E78 PolarHBondContact O-N 2.87Å; E78-K107 IonicContact OE1-NZ 3.51Å; E78-K107 PolarHBondContact OE1-NZ 2.79Å; E78-K107 WeakPolarHBondContact OE2-CE 3.49Å; E78-K107 IonicContact OE2-NZ 3.77Å; E78-K107 PolarHBondContact OE2-NZ 3.01Å
79R93.5Very high93.8Very high84 Ų8453.6 Ų53.632%0.31726%0.257SS..SBendtrans-69.6140.2179.7-63.1-175.991.3148.8-5.1110.3I76 K107 F108 T153 L154I76-R79 HydrophobicContact CB-CG 4.39Å; I76-R79 WeakPolarHBondContact O-CB 3.49Å; I76-R79 PolarHBondContact O-N 2.87Å; R79-K107 CarbonylContact O-C 3.59Å; R79-F108 PolarHBondContact O-N 2.92Å; R79-T153 PolarHBondContact NH2-O 3.4Å; R79-L154 VanDerWaalsContact CZ-CD2 3.49Å
80L95.1Very high93.2Very high86 Ų8659.1 Ų59.145%0.4528%0.279SS..EExtended strand (participates in β ladder)trans-78.6123.3-178-168.765.7000110.5E82L80-E82 HydrophobicContact CD2-CG 3.73Å; L80-E82 HydrophobicContact CG-CG 3.96Å; L80-E82 PolarHBondContact O-N 3.41Å
81V95.3Very high92.6Very high0 Ų055.6 Ų55.60%029%0.286CS..EExtended strand (participates in β ladder)trans-86.199.2162.8-174.40000106.5P84 S105 L106 F108 F111 Y192V81-P84 HydrophobicContact CG1-CB 3.91Å; V81-P84 HydrophobicContact CG1-CG 4.03Å; V81-P84 WeakPolarHBondContact O-CD 2.77Å; V81-S105 VanDerWaalsContact O-CA 3.3Å; V81-S105 WeakPolarHBondContact O-CA 3.3Å; V81-S105 WeakPolarHBondContact O-CB 3.4Å; V81-L106 PolarHBondContact N-O 3.1Å; V81-L106 PolarHBondContact O-N 3.38Å; V81-L106 VanDerWaalsContact O-N 3.17Å; V81-F108 HydrophobicContact CG2-CB 4.34Å; V81-F111 HydrophobicContact CG1-CD2 4.22Å; V81-F111 HydrophobicContact CG2-CB 4.1Å; V81-F111 HydrophobicContact CG2-CG 4.37Å; V81-Y192 HydrophobicContact CB-CD2 4.38Å; V81-Y192 HydrophobicContact CG1-CD2 3.87Å; V81-Y192 HydrophobicContact CG1-CE2 4.44Å; V81-Y192 HydrophobicContact CG1-CG 4.26Å; V81-Y192 HydrophobicContact CG2-CD1 4.01Å; V81-Y192 HydrophobicContact CG2-CD2 3.91Å; V81-Y192 HydrophobicContact CG2-CE1 4.15Å; V81-Y192 HydrophobicContact CG2-CE2 4.07Å; V81-Y192 HydrophobicContact CG2-CG 3.88Å
82E93.3Very high92Very high85 Ų8550.7 Ų50.740%0.39727%0.272SS..  trans-72.3130.5-178-70.5-173.1-163.100112.1L80 P84 V150L80-E82 HydrophobicContact CD2-CG 3.73Å; L80-E82 HydrophobicContact CG-CG 3.96Å; L80-E82 PolarHBondContact O-N 3.41Å; E82-P84 VanDerWaalsContact C-CD 3.44Å; E82-P84 VanDerWaalsContact O-N 3.08Å; E82-V150 HydrophobicContact CB-CG1 4.41Å; E82-V150 HydrophobicContact CB-CG2 4.44Å
83K92.3Very high91.6Very high64 Ų6459 Ų5928%0.27830%0.296SS..SBendtrans37.250.4172.4-53.3179-160.2133.30116I85 R103 S105 L721 N722K83-I85 PolarHBondContact O-N 3.44Å; K83-R103 WeakPolarHBondContact CA-O 3.44Å; K83-S105 PolarHBondContact N-OG 2.79Å; K83-L721 HydrophobicContact CD-CB 4.25Å; K83-L721 PolarHBondContact NZ-O 2.85Å; K83-N722 PolarHBondContact NZ-OD1 3.43Å
84P96.1Very high91.2Very high0 Ų057.9 Ų57.90%029%0.294CS..  trans-61.4142.9-173.723.2-30.7000111.8V81 E82 R103 L106 L145 Y146V81-P84 HydrophobicContact CG1-CB 3.91Å; V81-P84 HydrophobicContact CG1-CG 4.03Å; V81-P84 WeakPolarHBondContact O-CD 2.77Å; E82-P84 VanDerWaalsContact C-CD 3.44Å; E82-P84 VanDerWaalsContact O-N 3.08Å; P84-R103 VanDerWaalsContact O-CB 3.32Å; P84-R103 WeakPolarHBondContact O-CB 3.33Å; P84-R103 PolarHBondContact O-N 2.91Å; P84-L106 HydrophobicContact CG-CD2 3.39Å; P84-L106 HydrophobicContact CG-CG 4.45Å; P84-L145 HydrophobicContact CB-CD1 3.84Å; P84-L145 HydrophobicContact CB-CD2 4.27Å; P84-L145 HydrophobicContact CB-CG 3.9Å; P84-L145 HydrophobicContact CG-CD1 4.12Å; P84-L145 HydrophobicContact CG-CD2 4.15Å; P84-L145 HydrophobicContact CG-CG 4.28Å; P84-Y146 CarbonylContact C-O 3.42Å; P84-Y146 WeakPolarHBondContact CA-O 3.5Å; P84-Y146 WeakPolarHBondContact CB-O 2.74Å
85I95.6Very high91.2Very high34 Ų3451.2 Ų51.217%0.17426%0.258CS..EExtended strand (participates in β ladder)trans-93.2128.6-172.259.9177.3000111.5K83 Q87 I100 L145 Y146 A148K83-I85 PolarHBondContact O-N 3.44Å; I85-Q87 HydrophobicContact CD1-CG 4.38Å; I85-Q87 HydrophobicContact CG1-CG 4.2Å; I85-I100 HydrophobicContact CB-CB 4.3Å; I85-I100 HydrophobicContact CD1-CB 4.19Å; I85-I100 HydrophobicContact CD1-CD1 4.33Å; I85-I100 HydrophobicContact CD1-CG2 3.93Å; I85-L145 CarbonylContact O-C 3.51Å; I85-L145 WeakPolarHBondContact O-CA 3.28Å; I85-Y146 HydrophobicContact CD1-CD1 4.48Å; I85-Y146 WeakPolarHBondContact CG1-O 3.5Å; I85-Y146 PolarHBondContact N-O 2.92Å; I85-Y146 PolarHBondContact O-N 3.44Å; I85-A148 HydrophobicContact CD1-CB 4.28Å
86C95.9Very high91.1Very high9 Ų949 Ų496%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-86.9107.3170.3168.40000108.4S101 R103 P144 L145C86-S101 WeakPolarHBondContact CB-O 3.28Å; C86-S101 WeakPolarHBondContact CB-OG 3.49Å; C86-S101 PolarHBondContact N-O 3.27Å; C86-S101 PolarHBondContact O-N 2.8Å; C86-S101 PolarHBondContact O-OG 2.87Å; C86-R103 HydrophobicContact CB-CG 4.09Å; C86-R103 PolarHBondContact SG-NH2 2.97Å; C86-R103 VanDerWaalsContact SG-NH2 3.41Å; C86-P144 WeakPolarHBondContact CA-O 3.21Å; C86-L145 HydrophobicContact CB-CD1 4.37Å
87Q94.7Very high90.8Very high4 Ų451.7 Ų51.72%0.01926%0.256CS..EExtended strand (participates in β ladder)trans-86.7114.4-172.4-54.5-173.9-69.400110.3I85 Q98 D99 I100 R143 P144 S197 T198I85-Q87 HydrophobicContact CD1-CG 4.38Å; I85-Q87 HydrophobicContact CG1-CG 4.2Å; Q87-Q98 HydrophobicContact CB-CG 4.42Å; Q87-D99 CarbonylContact C-O 3.46Å; Q87-I100 HydrophobicContact CG-CG2 4.27Å; Q87-R143 VanDerWaalsContact O-CA 3.3Å; Q87-R143 WeakPolarHBondContact O-CA 3.46Å; Q87-P144 HydrophobicContact CB-CG 4.37Å; Q87-P144 PolarHBondContact N-O 3.34Å; Q87-P144 WeakPolarHBondContact O-CD 3.5Å; Q87-S197 VanDerWaalsContact OE1-CA 3.29Å; Q87-T198 PolarHBondContact NE2-O 3.2Å
88S91.8Very high90.6Very high3 Ų349.6 Ų49.62%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-103.9135.2174.8-49.20000108.2Q98 D99 R143S88-Q98 WeakPolarHBondContact O-CA 3.47Å; S88-D99 PolarHBondContact N-O 3.34Å; S88-D99 PolarHBondContact O-N 2.8Å; S88-R143 PolarHBondContact OG-NE 2.76Å; S88-R143 PolarHBondContact OG-NH2 2.99Å
89T89.5Confident90.4Very high7 Ų745.5 Ų45.54%0.04323%0.227CC..EExtended strand (participates in β ladder)trans-122.6138.3177.173.90000111.1F97 Q98 I139 G140 L258T89-F97 WeakPolarHBondContact CA-O 3.49Å; T89-Q98 HydrophobicContact CG2-CB 4.01Å; T89-Q98 HydrophobicContact CG2-CG 4Å; T89-I139 HydrophobicContact CG2-CD1 4.11Å; T89-I139 HydrophobicContact CG2-CG1 4.1Å; T89-I139 PolarHBondContact OG1-O 2.84Å; T89-G140 WeakPolarHBondContact OG1-CA 3.39Å; T89-G140 PolarHBondContact OG1-N 2.94Å; T89-L258 HydrophobicContact CG2-CD1 3.79Å
90Y84.2Confident90.3Very high125 Ų12545 Ų4549%0.4923%0.23SC..EExtended strand (participates in β ladder)trans-124.3145.9-176.6-47.8-76.1000109.3Y96 F97 D99Y90-Y96 CarbonylContact O-C 3.55Å; Y90-Y96 WeakPolarHBondContact O-CA 3.34Å; Y90-Y96 WeakPolarHBondContact O-CB 3.47Å; Y90-F97 PolarHBondContact N-O 2.85Å; Y90-F97 PolarHBondContact O-N 2.99Å; Y90-D99 HydrophobicContact CE2-CB 3.74Å
91G81.3Confident90Very high65 Ų6541.7 Ų41.767%0.6721%0.214SC*.EExtended strand (participates in β ladder)trans122.5-160.9-17600000112.2Y96G91-Y96 VanDerWaalsContact C-CD1 3.49Å
92G80.6Confident89.8Confident27 Ų2744.8 Ų44.828%0.27823%0.234SC..EExtended strand (participates in β ladder)trans-178.5175.7-17300000113.3G94 I95G92-G94 PolarHBondContact O-N 3.37Å; G92-G94 VanDerWaalsContact O-N 3.16Å; G92-I95 PolarHBondContact N-O 3.44Å; G92-I95 PolarHBondContact O-N 2.76Å; G92-I95 VanDerWaalsContact O-N 3.07Å; G92-I95 VanDerWaalsContact O-O 3.08Å
93R84Confident89.8Confident201 Ų20145.8 Ų45.876%0.75823%0.234SC*.THydrogen-bonded Turntrans53.234.5179.3-59.6178.9-71.1-161-2.8113.5V263R93-V263 WeakPolarHBondContact O-CG2 3.16Å
94G86.3Confident90Very high9 Ų951.8 Ų51.89%0.09326%0.26CS..THydrogen-bonded Turntrans838.7178.700000115.3G92 I259 S260G92-G94 PolarHBondContact O-N 3.37Å; G92-G94 VanDerWaalsContact O-N 3.16Å; G94-I259 CarbonylContact O-C 3.49Å; G94-I259 WeakPolarHBondContact O-CA 3.18Å; G94-S260 PolarHBondContact O-N 3.44Å; G94-S260 PolarHBondContact O-OG 3.39Å
95I91Very high90Very high17 Ų1754.3 Ų54.39%0.08728%0.278CS..EExtended strand (participates in β ladder)trans-127.4122.5173.3-53.7172000109G92 Y240 F241 I259 V263G92-I95 PolarHBondContact N-O 3.44Å; G92-I95 PolarHBondContact O-N 2.76Å; G92-I95 VanDerWaalsContact O-N 3.07Å; G92-I95 VanDerWaalsContact O-O 3.08Å; I95-Y240 HydrophobicContact CB-CE1 4.26Å; I95-Y240 HydrophobicContact CD1-CD2 3.82Å; I95-Y240 HydrophobicContact CD1-CE1 4.13Å; I95-Y240 HydrophobicContact CD1-CE2 3.27Å; I95-Y240 HydrophobicContact CD1-CG 4.44Å; I95-Y240 VanDerWaalsContact CD1-CZ 3.45Å; I95-Y240 HydrophobicContact CG2-CD1 3.88Å; I95-Y240 HydrophobicContact CG2-CE1 3.43Å; I95-Y240 VanDerWaalsContact CG2-CE1 3.43Å; I95-F241 HydrophobicContact CG2-CE2 3.85Å; I95-F241 HydrophobicContact CG2-CZ 3.55Å; I95-I259 HydrophobicContact CG1-CG2 4.25Å; I95-I259 HydrophobicContact CG2-CG1 4.37Å; I95-V263 HydrophobicContact CD1-CG1 3.83Å; I95-V263 HydrophobicContact CG1-CG1 3.79Å; I95-V263 HydrophobicContact CG1-CG2 4.34Å
96Y90.6Very high90.1Very high24 Ų2454.1 Ų54.19%0.09428%0.277CS..EExtended strand (participates in β ladder)trans-139.7152.5-175.6-50.2-95000111.7Y90 G91 W136 I139 L258Y90-Y96 CarbonylContact O-C 3.55Å; Y90-Y96 WeakPolarHBondContact O-CA 3.34Å; Y90-Y96 WeakPolarHBondContact O-CB 3.47Å; G91-Y96 VanDerWaalsContact C-CD1 3.49Å; Y96-W136 HydrophobicContact CD2-CZ3 4.45Å; Y96-W136 HydrophobicContact CE2-CE3 4.33Å; Y96-W136 HydrophobicContact CE2-CZ3 4.45Å; Y96-I139 HydrophobicContact CD1-CG2 4.34Å; Y96-I139 HydrophobicContact CD2-CG2 3.96Å; Y96-I139 HydrophobicContact CE1-CG2 4.05Å; Y96-I139 HydrophobicContact CE2-CG2 3.64Å; Y96-I139 HydrophobicContact CG-CG2 4.32Å; Y96-L258 PolarHBondContact N-O 3.18Å; Y96-L258 PolarHBondContact O-N 3.17Å
97F88Confident90.2Very high59 Ų5957.5 Ų57.526%0.25929%0.29SS..EExtended strand (participates in β ladder)trans-110.2131.1168.7-159.4-92.9000108.5T89 Y90 F241 E244 C256T89-F97 WeakPolarHBondContact CA-O 3.49Å; Y90-F97 PolarHBondContact N-O 2.85Å; Y90-F97 PolarHBondContact O-N 2.99Å; F97-F241 HydrophobicContact CB-CE1 4.28Å; F97-F241 HydrophobicContact CD2-CD1 4Å; F97-F241 AromaticContact CD2-CE1 3.83Å; F97-F241 HydrophobicContact CD2-CE1 3.83Å; F97-E244 HydrophobicContact CE2-CG 3.88Å; F97-E244 HydrophobicContact CZ-CG 4.17Å; F97-C256 CarbonylContact C-O 3.6Å; F97-C256 HydrophobicContact CE1-CB 4.11Å; F97-C256 HydrophobicContact CE2-CB 4.19Å; F97-C256 WeakPolarHBondContact CE2-SG 3.42Å; F97-C256 HydrophobicContact CZ-CB 3.92Å; F97-C256 WeakPolarHBondContact CZ-SG 3.49Å
98Q90.3Very high90.2Very high10 Ų1057.3 Ų57.35%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-101.7137.4-179.8-178.7171.797.600110.9Q87 S88 T89 I100 P200 C256 L258Q87-Q98 HydrophobicContact CB-CG 4.42Å; S88-Q98 WeakPolarHBondContact O-CA 3.47Å; T89-Q98 HydrophobicContact CG2-CB 4.01Å; T89-Q98 HydrophobicContact CG2-CG 4Å; Q98-I100 HydrophobicContact CG-CG2 4.19Å; Q98-P200 HydrophobicContact CB-CG 4.19Å; Q98-C256 PolarHBondContact N-O 2.93Å; Q98-C256 WeakPolarHBondContact O-CB 3.4Å; Q98-L258 HydrophobicContact CB-CD1 4.11Å
99D88.5Confident90.5Very high42 Ų4258.3 Ų58.323%0.22530%0.297CS..EExtended strand (participates in β ladder)trans-125.5144.7174.517937.4000110.2Q87 S88 Y90 R718Q87-D99 CarbonylContact C-O 3.46Å; S88-D99 PolarHBondContact N-O 3.34Å; S88-D99 PolarHBondContact O-N 2.8Å; Y90-D99 HydrophobicContact CE2-CB 3.74Å; D99-R718 IonicContact OD1-CZ 2.64Å; D99-R718 IonicContact OD1-NH1 3.36Å; D99-R718 PolarHBondContact OD1-NH1 3.26Å; D99-R718 IonicContact OD1-NH2 3.83Å; D99-R718 PolarHBondContact OD1-NH2 3.32Å; D99-R718 IonicContact OD2-CZ 3.93Å; D99-R718 IonicContact OD2-NH2 2.69Å; D99-R718 PolarHBondContact OD2-NH2 2.75Å
100I91.4Very high90.9Very high75 Ų7561.6 Ų61.639%0.38531%0.314SS..EExtended strand (participates in β ladder)trans-128.7105-164.453.5155.5000112.9I85 Q87 Q98 R718I85-I100 HydrophobicContact CB-CB 4.3Å; I85-I100 HydrophobicContact CD1-CB 4.19Å; I85-I100 HydrophobicContact CD1-CD1 4.33Å; I85-I100 HydrophobicContact CD1-CG2 3.93Å; Q87-I100 HydrophobicContact CG-CG2 4.27Å; Q98-I100 HydrophobicContact CG-CG2 4.19Å; I100-R718 PolarHBondContact O-NE 3.06Å; I100-R718 PolarHBondContact O-NH1 2.91Å; I100-R718 VanDerWaalsContact O-NH1 3.1Å; I100-R718 PolarHBondContact O-NH2 2.87Å
101S89.3Confident91.5Very high16 Ų1655.6 Ų55.611%0.11229%0.29CS..EExtended strand (participates in β ladder)trans-97.2119.717958.10000111.5C86 R103C86-S101 WeakPolarHBondContact CB-O 3.28Å; C86-S101 WeakPolarHBondContact CB-OG 3.49Å; C86-S101 PolarHBondContact N-O 3.27Å; C86-S101 PolarHBondContact O-N 2.8Å; C86-S101 PolarHBondContact O-OG 2.87Å; S101-R103 PolarHBondContact OG-NH1 3.14Å
102P91Very high92.3Very high65 Ų6555 Ų5542%0.42227%0.269SS..EExtended strand (participates in β ladder)trans-64.3153.9177.326.9-33.9000111.5
103R94.3Very high93.1Very high106 Ų10658.8 Ų58.840%0.428%0.283SS..  trans-119.7169.6172-61.4-61.2-177.6-127.27.9110.2K83 P84 C86 S101 L145K83-R103 WeakPolarHBondContact CA-O 3.44Å; P84-R103 VanDerWaalsContact O-CB 3.32Å; P84-R103 WeakPolarHBondContact O-CB 3.33Å; P84-R103 PolarHBondContact O-N 2.91Å; C86-R103 HydrophobicContact CB-CG 4.09Å; C86-R103 PolarHBondContact SG-NH2 2.97Å; C86-R103 VanDerWaalsContact SG-NH2 3.41Å; S101-R103 PolarHBondContact OG-NH1 3.14Å; R103-L145 HydrophobicContact CB-CD1 4.14Å; R103-L145 HydrophobicContact CG-CD1 3.64Å
104K94.9Very high93.7Very high190 Ų19052 Ų5283%0.82626%0.262SS*.  trans-61.3142.3171.3-65-176.2178.2-177.30109.1L106K104-L106 VanDerWaalsContact O-CD2 3.22Å; K104-L106 WeakPolarHBondContact O-CD2 3.48Å
105S96.7Very high94.2Very high53 Ų5351.8 Ų51.837%0.37126%0.258SS..  trans-58.5146.7171-49.60000110.6V81 K83V81-S105 VanDerWaalsContact O-CA 3.3Å; V81-S105 WeakPolarHBondContact O-CA 3.3Å; V81-S105 WeakPolarHBondContact O-CB 3.4Å; K83-S105 PolarHBondContact N-OG 2.79Å
106L97.3Very high94.5Very high29 Ų2955.7 Ų55.715%0.15228%0.279CS..EExtended strand (participates in β ladder)trans-145.3164.4179.754.6145.1000110.5V81 P84 K104 D110 F111 I114 L145V81-L106 PolarHBondContact N-O 3.1Å; V81-L106 PolarHBondContact O-N 3.38Å; V81-L106 VanDerWaalsContact O-N 3.17Å; P84-L106 HydrophobicContact CG-CD2 3.39Å; P84-L106 HydrophobicContact CG-CG 4.45Å; K104-L106 VanDerWaalsContact O-CD2 3.22Å; K104-L106 WeakPolarHBondContact O-CD2 3.48Å; L106-D110 HydrophobicContact CB-CB 4.09Å; L106-D110 HydrophobicContact CD1-CB 3.65Å; L106-D110 HydrophobicContact CG-CB 4.46Å; L106-F111 HydrophobicContact CD1-CB 3.82Å; L106-I114 HydrophobicContact CD1-CD1 3.87Å; L106-L145 HydrophobicContact CD2-CD2 4.4Å
107K97.4Very high94.7Very high80 Ų8056.4 Ų56.435%0.34829%0.288SS..EExtended strand (participates in β ladder)trans-70.1157.8175.6-63.7-176.7179.1-172.90110.8E78 R79 S109 D110 F111E78-K107 IonicContact OE1-NZ 3.51Å; E78-K107 PolarHBondContact OE1-NZ 2.79Å; E78-K107 WeakPolarHBondContact OE2-CE 3.49Å; E78-K107 IonicContact OE2-NZ 3.77Å; E78-K107 PolarHBondContact OE2-NZ 3.01Å; R79-K107 CarbonylContact O-C 3.59Å; K107-S109 VanDerWaalsContact C-N 3.26Å; K107-S109 WeakPolarHBondContact CB-OG 3.22Å; K107-S109 PolarHBondContact O-N 3.37Å; K107-D110 PolarHBondContact N-OD2 3.41Å; K107-D110 WeakPolarHBondContact O-CB 3.39Å; K107-D110 PolarHBondContact O-N 3.04Å; K107-F111 PolarHBondContact O-N 3.27Å
108F96.8Very high94.8Very high1 Ų161.3 Ų61.30%0.00432%0.316CS..Hα-helixtrans-60.6-37.3172.5177.2-106.3000112.1I76 D77 R79 V81 D110 F111 K112 Y192 Y216 L297 I299I76-F108 HydrophobicContact CD1-CD1 3.9Å; I76-F108 HydrophobicContact CD1-CE1 3.65Å; I76-F108 HydrophobicContact CD1-CZ 4.18Å; I76-F108 HydrophobicContact CG1-CD1 3.56Å; I76-F108 HydrophobicContact CG1-CE1 3.76Å; I76-F108 HydrophobicContact CG1-CG 4.33Å; I76-F108 WeakPolarHBondContact O-CB 3.27Å; D77-F108 WeakPolarHBondContact OD1-CD1 3.34Å; R79-F108 PolarHBondContact O-N 2.92Å; V81-F108 HydrophobicContact CG2-CB 4.34Å; F108-D110 VanDerWaalsContact C-N 3.34Å; F108-D110 PolarHBondContact O-N 3.22Å; F108-F111 HydrophobicContact CD2-CD1 4.49Å; F108-F111 HydrophobicContact CE2-CD1 4.41Å; F108-F111 WeakPolarHBondContact O-CB 3.49Å; F108-F111 PolarHBondContact O-N 2.79Å; F108-F111 VanDerWaalsContact O-N 3.1Å; F108-K112 HydrophobicContact CD1-CD 4.31Å; F108-K112 HydrophobicContact CE1-CB 4.23Å; F108-K112 HydrophobicContact CE1-CD 3.68Å; F108-K112 HydrophobicContact CZ-CB 4.24Å; F108-K112 HydrophobicContact CZ-CD 4.21Å; F108-K112 WeakPolarHBondContact O-CB 3.4Å; F108-K112 PolarHBondContact O-N 2.86Å; F108-Y192 HydrophobicContact CB-CE1 4.49Å; F108-Y192 AromaticContact CD2-CD1 3.39Å; F108-Y192 HydrophobicContact CD2-CD1 3.39Å; F108-Y192 AromaticContact CD2-CE1 3.68Å; F108-Y192 HydrophobicContact CD2-CE1 3.68Å; F108-Y192 HydrophobicContact CD2-CG 4.48Å; F108-Y192 AromaticContact CE2-CD1 3.75Å; F108-Y192 HydrophobicContact CE2-CD1 3.75Å; F108-Y192 HydrophobicContact CE2-CE1 4.3Å; F108-Y192 HydrophobicContact CG-CD1 4.42Å; F108-Y192 HydrophobicContact CG-CE1 4.3Å; F108-Y216 HydrophobicContact CZ-CE1 4.31Å; F108-L297 HydrophobicContact CE2-CD1 3.95Å; F108-L297 HydrophobicContact CZ-CD1 4.08Å; F108-L297 HydrophobicContact CZ-CD2 4.38Å; F108-I299 HydrophobicContact CD2-CD1 4.2Å; F108-I299 HydrophobicContact CE1-CD1 4.35Å; F108-I299 HydrophobicContact CE2-CD1 3.68Å; F108-I299 HydrophobicContact CE2-CG1 3.93Å; F108-I299 HydrophobicContact CZ-CD1 3.75Å; F108-I299 HydrophobicContact CZ-CG1 4.22Å
109S97Very high94.8Very high24 Ų2465.6 Ų65.617%0.16834%0.343CS..Hα-helixtrans-53.8-46.717241.50000112.6D77 K107 K112 N113D77-S109 VanDerWaalsContact O-CB 3.31Å; D77-S109 WeakPolarHBondContact O-CB 3.29Å; D77-S109 PolarHBondContact O-N 3.04Å; D77-S109 PolarHBondContact O-OG 2.72Å; K107-S109 VanDerWaalsContact C-N 3.26Å; K107-S109 WeakPolarHBondContact CB-OG 3.22Å; K107-S109 PolarHBondContact O-N 3.37Å; S109-K112 PolarHBondContact O-N 2.84Å; S109-N113 WeakPolarHBondContact O-CB 3.23Å; S109-N113 PolarHBondContact O-N 2.78Å; S109-N113 PolarHBondContact O-ND2 2.82Å; S109-N113 VanDerWaalsContact O-ND2 3.17Å
110D97.6Very high95.1Very high75 Ų7566.9 Ų66.940%0.40135%0.345SS..Hα-helixtrans-63.4-41.5174.3-62-45000111.9L106 K107 F108 N113 I114L106-D110 HydrophobicContact CB-CB 4.09Å; L106-D110 HydrophobicContact CD1-CB 3.65Å; L106-D110 HydrophobicContact CG-CB 4.46Å; K107-D110 PolarHBondContact N-OD2 3.41Å; K107-D110 WeakPolarHBondContact O-CB 3.39Å; K107-D110 PolarHBondContact O-N 3.04Å; F108-D110 VanDerWaalsContact C-N 3.34Å; F108-D110 PolarHBondContact O-N 3.22Å; D110-N113 PolarHBondContact O-N 3.2Å; D110-I114 WeakPolarHBondContact O-CG1 3.37Å; D110-I114 PolarHBondContact O-N 3.29Å
111F97.6Very high95.3Very high0 Ų065.4 Ų65.40%034%0.341CS..Hα-helixtrans-65.7-41.7180-176.5-84000111.3V81 L106 K107 F108 I114 A115 L145 Y192 M194 L297V81-F111 HydrophobicContact CG1-CD2 4.22Å; V81-F111 HydrophobicContact CG2-CB 4.1Å; V81-F111 HydrophobicContact CG2-CG 4.37Å; L106-F111 HydrophobicContact CD1-CB 3.82Å; K107-F111 PolarHBondContact O-N 3.27Å; F108-F111 HydrophobicContact CD2-CD1 4.49Å; F108-F111 HydrophobicContact CE2-CD1 4.41Å; F108-F111 WeakPolarHBondContact O-CB 3.49Å; F108-F111 PolarHBondContact O-N 2.79Å; F108-F111 VanDerWaalsContact O-N 3.1Å; F111-I114 PolarHBondContact O-N 3.42Å; F111-A115 VanDerWaalsContact O-CB 3.3Å; F111-A115 WeakPolarHBondContact O-CB 3.15Å; F111-A115 PolarHBondContact O-N 3.29Å; F111-L145 HydrophobicContact CD2-CD2 3.94Å; F111-L145 HydrophobicContact CD2-CG 4.44Å; F111-L145 HydrophobicContact CE2-CB 4.42Å; F111-L145 HydrophobicContact CE2-CD2 3.99Å; F111-L145 HydrophobicContact CE2-CG 4Å; F111-Y192 WeakPolarHBondContact CZ-O 3.41Å; F111-M194 HydrophobicContact CD2-CE 4.34Å; F111-M194 HydrophobicContact CE1-CE 3.98Å; F111-M194 HydrophobicContact CE2-CE 3.74Å; F111-M194 HydrophobicContact CZ-CB 4.5Å; F111-M194 HydrophobicContact CZ-CE 3.51Å; F111-L297 HydrophobicContact CD1-CD1 4.01Å; F111-L297 HydrophobicContact CE1-CD1 4.02Å
112K97.4Very high95.6Very high51 Ų5166 Ų6622%0.22234%0.344CS..Hα-helixtrans-61.1-45172.9168.6169.3167.5-165.90111D77 F108 S109 I114 A115 L116 L297D77-K112 IonicContact OD1-NZ 3.68Å; D77-K112 PolarHBondContact OD1-NZ 3.4Å; D77-K112 IonicContact OD2-NZ 2.7Å; D77-K112 PolarHBondContact OD2-NZ 3.44Å; D77-K112 VanDerWaalsContact OD2-NZ 3.12Å; F108-K112 HydrophobicContact CD1-CD 4.31Å; F108-K112 HydrophobicContact CE1-CB 4.23Å; F108-K112 HydrophobicContact CE1-CD 3.68Å; F108-K112 HydrophobicContact CZ-CB 4.24Å; F108-K112 HydrophobicContact CZ-CD 4.21Å; F108-K112 WeakPolarHBondContact O-CB 3.4Å; F108-K112 PolarHBondContact O-N 2.86Å; S109-K112 PolarHBondContact O-N 2.84Å; K112-I114 PolarHBondContact O-N 3.35Å; K112-A115 PolarHBondContact O-N 3.27Å; K112-L116 HydrophobicContact CG-CD1 3.94Å; K112-L116 WeakPolarHBondContact O-CB 3.36Å; K112-L116 VanDerWaalsContact O-CG 3.22Å; K112-L116 WeakPolarHBondContact O-CG 3.44Å; K112-L116 PolarHBondContact O-N 3.15Å; K112-L297 HydrophobicContact CB-CD2 3.89Å; K112-L297 HydrophobicContact CD-CD2 4.23Å; K112-L297 HydrophobicContact CG-CD2 3.63Å
113N97.3Very high95.9Very high108 Ų10864.6 Ų64.658%0.57834%0.335SS*.Hα-helixtrans-61-42173.8-70.9-27.5000112.3S109 D110 S117S109-N113 WeakPolarHBondContact O-CB 3.23Å; S109-N113 PolarHBondContact O-N 2.78Å; S109-N113 PolarHBondContact O-ND2 2.82Å; S109-N113 VanDerWaalsContact O-ND2 3.17Å; D110-N113 PolarHBondContact O-N 3.2Å; N113-S117 PolarHBondContact O-N 3.44Å; N113-S117 VanDerWaalsContact O-N 3.15Å
114I96.7Very high95.9Very high59 Ų5968.9 Ų68.930%0.30336%0.357SS..Hα-helixtrans-63.7-50.6174.1-66.5165000110.4L106 D110 F111 K112 L116 S117 Y120 L145 M194L106-I114 HydrophobicContact CD1-CD1 3.87Å; D110-I114 WeakPolarHBondContact O-CG1 3.37Å; D110-I114 PolarHBondContact O-N 3.29Å; F111-I114 PolarHBondContact O-N 3.42Å; K112-I114 PolarHBondContact O-N 3.35Å; I114-L116 VanDerWaalsContact C-N 3.25Å; I114-L116 PolarHBondContact O-N 3.37Å; I114-S117 VanDerWaalsContact O-CB 3.3Å; I114-S117 WeakPolarHBondContact O-CB 3.35Å; I114-S117 PolarHBondContact O-N 2.78Å; I114-S117 VanDerWaalsContact O-N 3.1Å; I114-S117 PolarHBondContact O-OG 2.78Å; I114-Y120 HydrophobicContact CG2-CD2 3.69Å; I114-Y120 HydrophobicContact CG2-CE2 3.99Å; I114-Y120 HydrophobicContact CG2-CG 4.37Å; I114-Y120 WeakPolarHBondContact O-CB 3.48Å; I114-L145 HydrophobicContact CD1-CD2 4.37Å; I114-M194 HydrophobicContact CG2-CE 4.01Å
115A97.2Very high96Very high3 Ų363.8 Ų63.83%0.02533%0.333CS..Hα-helixtrans-61.5-29.6-178.200000113.7F111 K112 Y120 C121 M194 L297F111-A115 VanDerWaalsContact O-CB 3.3Å; F111-A115 WeakPolarHBondContact O-CB 3.15Å; F111-A115 PolarHBondContact O-N 3.29Å; K112-A115 PolarHBondContact O-N 3.27Å; A115-Y120 CarbonylContact O-C 3.54Å; A115-C121 VanDerWaalsContact O-CA 3.3Å; A115-C121 WeakPolarHBondContact O-CA 3.2Å; A115-C121 PolarHBondContact O-N 2.74Å; A115-M194 HydrophobicContact CB-CB 3.73Å; A115-M194 HydrophobicContact CB-CE 4.03Å; A115-L297 HydrophobicContact CB-CB 4.07Å; A115-L297 HydrophobicContact CB-CD1 3.86Å; A115-L297 HydrophobicContact CB-CG 4.42Å
116L96.3Very high96Very high99 Ų9970.3 Ų70.352%0.51835%0.349SS..Hα-helixtrans-91.8-7.8178.1-64.5174000113.5K112 I114 L297K112-L116 HydrophobicContact CG-CD1 3.94Å; K112-L116 WeakPolarHBondContact O-CB 3.36Å; K112-L116 VanDerWaalsContact O-CG 3.22Å; K112-L116 WeakPolarHBondContact O-CG 3.44Å; K112-L116 PolarHBondContact O-N 3.15Å; I114-L116 VanDerWaalsContact C-N 3.25Å; I114-L116 PolarHBondContact O-N 3.37Å; L116-L297 HydrophobicContact CD1-CD2 4.41Å; L116-L297 HydrophobicContact CG-CD2 4.34Å
117S96.2Very high95.9Very high40 Ų4071.1 Ų71.128%0.2835%0.354SS..SBendtrans-64.7153.6177740000112.4N113 I114 V119 Y120 C121N113-S117 PolarHBondContact O-N 3.44Å; N113-S117 VanDerWaalsContact O-N 3.15Å; I114-S117 VanDerWaalsContact O-CB 3.3Å; I114-S117 WeakPolarHBondContact O-CB 3.35Å; I114-S117 PolarHBondContact O-N 2.78Å; I114-S117 VanDerWaalsContact O-N 3.1Å; I114-S117 PolarHBondContact O-OG 2.78Å; S117-V119 PolarHBondContact O-N 2.76Å; S117-Y120 PolarHBondContact O-N 3.1Å; S117-C121 VanDerWaalsContact O-CB 3.28Å; S117-C121 WeakPolarHBondContact O-CB 3.4Å; S117-C121 PolarHBondContact O-N 2.87Å
118N90.6Very high95.8Very high161 Ų16171 Ų7186%0.86135%0.352SS*.THydrogen-bonded Turntrans-54.5-17.3-180-67-22.1000115.2
119V89.9Confident95.7Very high100 Ų10074.5 Ų74.561%0.60637%0.37SS*.THydrogen-bonded Turntrans-87.2-36179.9-178.30000112.1S117S117-V119 PolarHBondContact O-N 2.76Å
120Y93.9Very high95.7Very high70 Ų7076.1 Ų76.128%0.27538%0.375SS..THydrogen-bonded Turntrans-116.8-4.3-172.8-60.4-75.4000114I114 A115 S117 R143 M194 W195I114-Y120 HydrophobicContact CG2-CD2 3.69Å; I114-Y120 HydrophobicContact CG2-CE2 3.99Å; I114-Y120 HydrophobicContact CG2-CG 4.37Å; I114-Y120 WeakPolarHBondContact O-CB 3.48Å; A115-Y120 CarbonylContact O-C 3.54Å; S117-Y120 PolarHBondContact O-N 3.1Å; Y120-R143 WeakPolarHBondContact CE1-O 3.44Å; Y120-M194 HydrophobicContact CD1-SD 3.92Å; Y120-M194 HydrophobicContact CG-SD 4.02Å; Y120-W195 WeakPolarHBondContact O-CB 3.41Å
121C95.3Very high95.7Very high43 Ų4372.6 Ų72.629%0.29136%0.356SS..SBendtrans-62.3151.7175.766.70000112A115 S117A115-C121 VanDerWaalsContact O-CA 3.3Å; A115-C121 WeakPolarHBondContact O-CA 3.2Å; A115-C121 PolarHBondContact O-N 2.74Å; S117-C121 VanDerWaalsContact O-CB 3.28Å; S117-C121 WeakPolarHBondContact O-CB 3.4Å; S117-C121 PolarHBondContact O-N 2.87Å
122T97Very high95.7Very high28 Ų2873.7 Ų73.717%0.17236%0.362CS..PPolyproline II helixtrans-59122.3171-51.90000110.2Y125 L131 F218 M295 G296T122-Y125 HydrophobicContact CG2-CD1 4.04Å; T122-Y125 HydrophobicContact CG2-CE1 3.8Å; T122-L131 HydrophobicContact CG2-CD1 3.91Å; T122-L131 HydrophobicContact CG2-CD2 3.93Å; T122-F218 HydrophobicContact CG2-CE1 4.28Å; T122-M295 WeakPolarHBondContact CB-O 3.32Å; T122-M295 WeakPolarHBondContact CG2-O 3.43Å; T122-M295 PolarHBondContact OG1-O 3.31Å; T122-G296 WeakPolarHBondContact OG1-CA 3.29Å
123P95.9Very high95.6Very high37 Ų3777.5 Ų77.524%0.2437%0.374CS..PPolyproline II helixtrans-70.1148.9-178.929.5-36.3000109.8Y125 L131 K134 W195P123-Y125 WeakPolarHBondContact O-CD1 3.46Å; P123-Y125 PolarHBondContact O-N 3Å; P123-L131 HydrophobicContact CG-CD1 3.98Å; P123-K134 HydrophobicContact CB-CD 4.36Å; P123-K134 HydrophobicContact CG-CD 4.02Å; P123-W195 VanDerWaalsContact CD-CD1 3.47Å; P123-W195 HydrophobicContact CG-CZ2 3.86Å
124K95.5Very high95.6Very high196 Ų19675.3 Ų75.385%0.85236%0.36SS*.PPolyproline II helixtrans-50.7128.2174.5-64.8-175.8179.2-178.20111.1K134K124-K134 PolarHBondContact O-NZ 2.74Å
125Y96.8Very high95.6Very high82 Ų8272.5 Ų72.532%0.32235%0.345SS..  trans-131.2169179.161.9-85.8000110.4T122 P123 D127 Y128 L131T122-Y125 HydrophobicContact CG2-CD1 4.04Å; T122-Y125 HydrophobicContact CG2-CE1 3.8Å; P123-Y125 WeakPolarHBondContact O-CD1 3.46Å; P123-Y125 PolarHBondContact O-N 3Å; Y125-D127 WeakPolarHBondContact CD2-O 3.4Å; Y125-Y128 AromaticContact CE2-CD1 3.88Å; Y125-Y128 HydrophobicContact CE2-CD1 3.88Å; Y125-Y128 AromaticContact CE2-CE1 3.88Å; Y125-Y128 HydrophobicContact CE2-CE1 3.88Å; Y125-Y128 AromaticContact CZ-CE1 3.94Å; Y125-Y128 WeakPolarHBondContact OH-CE1 3.46Å; Y125-L131 HydrophobicContact CD1-CB 4.37Å; Y125-L131 HydrophobicContact CD1-CD1 3.89Å; Y125-L131 HydrophobicContact CD1-CD2 3.96Å; Y125-L131 HydrophobicContact CD1-CG 4.3Å; Y125-L131 HydrophobicContact CD2-CB 4.18Å; Y125-L131 HydrophobicContact CE1-CD2 3.92Å; Y125-L131 HydrophobicContact CG-CB 3.95Å; Y125-L131 HydrophobicContact CG-CD1 4.19Å; Y125-L131 HydrophobicContact CG-CD2 4.32Å; Y125-L131 HydrophobicContact CG-CG 4.38Å
126R96.3Very high95.5Very high190 Ų19074 Ų7472%0.71735%0.35SS*.SBendtrans-100.8-44.2179.2-175.6-172.767.4-169.91.3111.2H130R126-H130 HydrophobicContact CB-CB 4.5Å; R126-H130 PolarHBondContact N-ND1 3.36Å
127D96.2Very high95.3Very high46 Ų4673.9 Ų73.925%0.24636%0.358CS..SBendtrans-148.3166.6-178.546.854.3000107.8Y125 D129 H130 L131 R133Y125-D127 WeakPolarHBondContact CD2-O 3.4Å; D127-D129 VanDerWaalsContact C-N 3.28Å; D127-D129 PolarHBondContact O-N 2.8Å; D127-H130 WeakPolarHBondContact O-CB 3.43Å; D127-H130 PolarHBondContact O-N 2.76Å; D127-H130 VanDerWaalsContact O-N 3.13Å; D127-H130 WeakPolarHBondContact OD1-CB 3.14Å; D127-H130 PolarHBondContact OD1-N 3.08Å; D127-L131 PolarHBondContact O-N 3.46Å; D127-L131 VanDerWaalsContact O-N 3.14Å; D127-R133 IonicContact OD1-NH2 3.82Å
128Y94.9Very high95.1Very high79 Ų7973.1 Ų73.131%0.3135%0.352SS..Hα-helixtrans-66.4-28-177.5-71.1-58000113.3Y125 H130 L131 E132 P219 L275 M295Y125-Y128 AromaticContact CE2-CD1 3.88Å; Y125-Y128 HydrophobicContact CE2-CD1 3.88Å; Y125-Y128 AromaticContact CE2-CE1 3.88Å; Y125-Y128 HydrophobicContact CE2-CE1 3.88Å; Y125-Y128 AromaticContact CZ-CE1 3.94Å; Y125-Y128 WeakPolarHBondContact OH-CE1 3.46Å; Y128-H130 VanDerWaalsContact C-N 3.33Å; Y128-H130 PolarHBondContact O-N 2.83Å; Y128-L131 HydrophobicContact CD1-CD2 4.44Å; Y128-L131 WeakPolarHBondContact O-CB 2.93Å; Y128-L131 PolarHBondContact O-N 3.13Å; Y128-E132 PolarHBondContact O-N 3.48Å; Y128-P219 HydrophobicContact CE1-CG 4.29Å; Y128-L275 HydrophobicContact CD1-CD1 4.18Å; Y128-L275 HydrophobicContact CD2-CD1 3.29Å; Y128-L275 HydrophobicContact CE2-CD1 3.98Å; Y128-L275 HydrophobicContact CG-CD1 3.41Å; Y128-L275 VanDerWaalsContact CG-CD1 3.41Å; Y128-M295 HydrophobicContact CD1-CE 3.67Å; Y128-M295 HydrophobicContact CD1-SD 3.31Å; Y128-M295 WeakPolarHBondContact CD1-SD 3.45Å; Y128-M295 HydrophobicContact CE1-SD 3.59Å; Y128-M295 VanDerWaalsContact CE1-SD 3.59Å; Y128-M295 HydrophobicContact CG-CE 4.11Å; Y128-M295 HydrophobicContact CG-SD 4.17Å
129D94.5Very high95.1Very high74 Ų7465.5 Ų65.540%0.39631%0.312SS..Hα-helixtrans-65.8-35.4172.1-60.8-59.7000111.9D127 L131 E132 R133 K273D127-D129 VanDerWaalsContact C-N 3.28Å; D127-D129 PolarHBondContact O-N 2.8Å; D129-L131 VanDerWaalsContact C-N 3.33Å; D129-E132 PolarHBondContact O-N 3.19Å; D129-R133 VanDerWaalsContact C-NH1 3.27Å; D129-R133 WeakPolarHBondContact O-CG 3.18Å; D129-R133 PolarHBondContact O-N 2.91Å; D129-R133 PolarHBondContact O-NH1 2.91Å; D129-R133 VanDerWaalsContact O-NH1 3.11Å; D129-K273 IonicContact OD1-NZ 2.78Å; D129-K273 PolarHBondContact OD1-NZ 2.83Å
130H97.4Very high94.8Very high58 Ų5862.3 Ų62.327%0.26930%0.299SS..Hα-helixtrans-66.3-38.4172.1-174.5-171.5000110.8R126 D127 Y128 R133 K134R126-H130 HydrophobicContact CB-CB 4.5Å; R126-H130 PolarHBondContact N-ND1 3.36Å; D127-H130 WeakPolarHBondContact O-CB 3.43Å; D127-H130 PolarHBondContact O-N 2.76Å; D127-H130 VanDerWaalsContact O-N 3.13Å; D127-H130 WeakPolarHBondContact OD1-CB 3.14Å; D127-H130 PolarHBondContact OD1-N 3.08Å; Y128-H130 VanDerWaalsContact C-N 3.33Å; Y128-H130 PolarHBondContact O-N 2.83Å; H130-R133 VanDerWaalsContact CA-NH2 3.3Å; H130-R133 PolarHBondContact O-N 2.94Å; H130-K134 WeakPolarHBondContact NE2-CE 2.94Å; H130-K134 WeakPolarHBondContact O-CG 3.27Å; H130-K134 PolarHBondContact O-N 3.08Å; H130-K134 VanDerWaalsContact O-N 3.1Å
131L97Very high94.1Very high0 Ų064.8 Ų64.80%032%0.322CS..Hα-helixtrans-66.3-43.3174.5-16860.2000111.5T122 P123 Y125 D127 Y128 D129 R133 K134 Y135 W195 M295T122-L131 HydrophobicContact CG2-CD1 3.91Å; T122-L131 HydrophobicContact CG2-CD2 3.93Å; P123-L131 HydrophobicContact CG-CD1 3.98Å; Y125-L131 HydrophobicContact CD1-CB 4.37Å; Y125-L131 HydrophobicContact CD1-CD1 3.89Å; Y125-L131 HydrophobicContact CD1-CD2 3.96Å; Y125-L131 HydrophobicContact CD1-CG 4.3Å; Y125-L131 HydrophobicContact CD2-CB 4.18Å; Y125-L131 HydrophobicContact CE1-CD2 3.92Å; Y125-L131 HydrophobicContact CG-CB 3.95Å; Y125-L131 HydrophobicContact CG-CD1 4.19Å; Y125-L131 HydrophobicContact CG-CD2 4.32Å; Y125-L131 HydrophobicContact CG-CG 4.38Å; D127-L131 PolarHBondContact O-N 3.46Å; D127-L131 VanDerWaalsContact O-N 3.14Å; Y128-L131 HydrophobicContact CD1-CD2 4.44Å; Y128-L131 WeakPolarHBondContact O-CB 2.93Å; Y128-L131 PolarHBondContact O-N 3.13Å; D129-L131 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 2.83Å; L131-K134 CarbonylContact O-C 3.51Å; L131-K134 WeakPolarHBondContact O-CA 3.06Å; L131-K134 WeakPolarHBondContact O-CB 3.42Å; L131-K134 PolarHBondContact O-N 2.89Å; L131-K134 VanDerWaalsContact O-N 3.1Å; L131-Y135 PolarHBondContact O-N 3.4Å; L131-W195 HydrophobicContact CD1-CE3 4.1Å; L131-W195 HydrophobicContact CD1-CH2 3.37Å; L131-W195 HydrophobicContact CD1-CZ2 3.89Å; L131-W195 HydrophobicContact CD1-CZ3 3.5Å; L131-W195 VanDerWaalsContact CD1-CZ3 3.5Å; L131-W195 HydrophobicContact CD2-CZ3 4Å; L131-W195 HydrophobicContact CG-CE3 4.35Å; L131-W195 HydrophobicContact CG-CH2 3.67Å; L131-W195 HydrophobicContact CG-CZ3 3.5Å; L131-W195 WeakPolarHBondContact O-CH2 3.15Å; L131-M295 HydrophobicContact CD2-CB 3.76Å; L131-M295 HydrophobicContact CD2-CE 4.32Å; L131-M295 HydrophobicContact CD2-CG 3.87Å; L131-M295 HydrophobicContact CD2-SD 4.08Å
132E97.2Very high93.2Very high24 Ų2463 Ų6311%0.11231%0.31CS..Hα-helixtrans-57.6-44.6172.9-178.2-171-172.400112.6Y128 D129 K134 Y135 W136 Y223 K273 F293Y128-E132 PolarHBondContact O-N 3.48Å; D129-E132 PolarHBondContact O-N 3.19Å; E132-K134 VanDerWaalsContact C-N 3.29Å; E132-K134 PolarHBondContact O-N 3.03Å; E132-Y135 WeakPolarHBondContact O-CB 3.3Å; E132-Y135 PolarHBondContact O-N 2.78Å; E132-Y135 VanDerWaalsContact O-N 3.13Å; E132-W136 PolarHBondContact O-N 3.29Å; E132-Y223 WeakPolarHBondContact CG-OH 3.43Å; E132-Y223 WeakPolarHBondContact OE1-CE1 3.31Å; E132-Y223 PolarHBondContact OE1-OH 2.87Å; E132-K273 IonicContact OE1-NZ 2.87Å; E132-K273 IonicContact OE2-NZ 3.27Å; E132-K273 PolarHBondContact OE2-NZ 3.37Å; E132-F293 HydrophobicContact CB-CZ 4.2Å; E132-F293 HydrophobicContact CG-CE1 4.4Å; E132-F293 HydrophobicContact CG-CZ 4.34Å
133R95.7Very high92.9Very high130 Ų13068 Ų6849%0.49133%0.325SS..Hα-helixtrans-59.5-40.2174.3-73.8-173.2-60.7-80.63.7111.7D127 D129 H130 L131 S137D127-R133 IonicContact OD1-NH2 3.82Å; D129-R133 VanDerWaalsContact C-NH1 3.27Å; D129-R133 WeakPolarHBondContact O-CG 3.18Å; D129-R133 PolarHBondContact O-N 2.91Å; D129-R133 PolarHBondContact O-NH1 2.91Å; D129-R133 VanDerWaalsContact O-NH1 3.11Å; H130-R133 VanDerWaalsContact CA-NH2 3.3Å; H130-R133 PolarHBondContact O-N 2.94Å; L131-R133 PolarHBondContact O-N 2.83Å; R133-S137 WeakPolarHBondContact O-CB 3.45Å; R133-S137 PolarHBondContact O-N 3.25Å; R133-S137 PolarHBondContact O-OG 3.29Å
134K96.2Very high92.9Very high62 Ų6266.3 Ų66.327%0.2731%0.314SS..Hα-helixtrans-67.9-32.1174.8-72.5-173.3177.9-1630113.4P123 K124 H130 L131 E132 S137 S138 W195P123-K134 HydrophobicContact CB-CD 4.36Å; P123-K134 HydrophobicContact CG-CD 4.02Å; K124-K134 PolarHBondContact O-NZ 2.74Å; H130-K134 WeakPolarHBondContact NE2-CE 2.94Å; H130-K134 WeakPolarHBondContact O-CG 3.27Å; H130-K134 PolarHBondContact O-N 3.08Å; H130-K134 VanDerWaalsContact O-N 3.1Å; L131-K134 CarbonylContact O-C 3.51Å; L131-K134 WeakPolarHBondContact O-CA 3.06Å; L131-K134 WeakPolarHBondContact O-CB 3.42Å; L131-K134 PolarHBondContact O-N 2.89Å; L131-K134 VanDerWaalsContact O-N 3.1Å; E132-K134 VanDerWaalsContact C-N 3.29Å; E132-K134 PolarHBondContact O-N 3.03Å; K134-S137 PolarHBondContact O-OG 3.48Å; K134-S138 WeakPolarHBondContact O-CB 3.48Å; K134-S138 PolarHBondContact O-N 3.23Å; K134-S138 PolarHBondContact O-OG 3.02Å; K134-W195 HydrophobicContact CB-CZ2 4.24Å
135Y97.2Very high93Very high1 Ų157.8 Ų57.80%0.00428%0.278CS..Hα-helixtrans-62-59.7172.5164.5-98.9000109.8L131 E132 S137 S138 I139 R196 T198 F293L131-Y135 PolarHBondContact O-N 3.4Å; E132-Y135 WeakPolarHBondContact O-CB 3.3Å; E132-Y135 PolarHBondContact O-N 2.78Å; E132-Y135 VanDerWaalsContact O-N 3.13Å; Y135-S137 VanDerWaalsContact C-N 3.29Å; Y135-S137 PolarHBondContact O-N 3.37Å; Y135-S138 PolarHBondContact O-N 2.83Å; Y135-I139 HydrophobicContact CE2-CB 4.41Å; Y135-I139 HydrophobicContact CE2-CD1 3.69Å; Y135-I139 HydrophobicContact CE2-CG1 4.11Å; Y135-I139 PolarHBondContact O-N 3.25Å; Y135-R196 HydrophobicContact CD2-CB 4.36Å; Y135-R196 HydrophobicContact CD2-CG 4.19Å; Y135-T198 WeakPolarHBondContact CE2-OG1 3.4Å; Y135-T198 VanDerWaalsContact OH-CG2 3.31Å; Y135-T198 WeakPolarHBondContact OH-CG2 3.33Å; Y135-T198 PolarHBondContact OH-OG1 3.26Å; Y135-F293 AromaticContact CD1-CD1 3.6Å; Y135-F293 HydrophobicContact CD1-CD1 3.6Å; Y135-F293 AromaticContact CD1-CE1 3.76Å; Y135-F293 HydrophobicContact CD1-CE1 3.76Å; Y135-F293 HydrophobicContact CD1-CG 4.02Å; Y135-F293 HydrophobicContact CD1-CZ 4.28Å; Y135-F293 HydrophobicContact CD2-CB 3.8Å; Y135-F293 HydrophobicContact CD2-CD1 4.05Å; Y135-F293 AromaticContact CD2-CD2 3.76Å; Y135-F293 HydrophobicContact CD2-CD2 3.76Å; Y135-F293 HydrophobicContact CD2-CE2 4.38Å; Y135-F293 AromaticContact CD2-CG 3.58Å; Y135-F293 HydrophobicContact CD2-CG 3.58Å; Y135-F293 HydrophobicContact CE1-CB 4.45Å; Y135-F293 AromaticContact CE1-CD1 3.69Å; Y135-F293 HydrophobicContact CE1-CD1 3.69Å; Y135-F293 HydrophobicContact CE1-CE1 4.24Å; Y135-F293 HydrophobicContact CE1-CG 4.15Å; Y135-F293 HydrophobicContact CE2-CB 3.48Å; Y135-F293 VanDerWaalsContact CE2-CB 3.48Å; Y135-F293 HydrophobicContact CE2-CD1 4.14Å; Y135-F293 HydrophobicContact CE2-CD2 4.34Å; Y135-F293 AromaticContact CE2-CG 3.73Å; Y135-F293 HydrophobicContact CE2-CG 3.73Å; Y135-F293 HydrophobicContact CG-CB 4.43Å; Y135-F293 AromaticContact CG-CD1 3.8Å; Y135-F293 HydrophobicContact CG-CD1 3.8Å; Y135-F293 AromaticContact CG-CD2 3.86Å; Y135-F293 HydrophobicContact CG-CD2 3.86Å; Y135-F293 HydrophobicContact CG-CE1 4Å; Y135-F293 HydrophobicContact CG-CE2 4.05Å; Y135-F293 AromaticContact CG-CG 3.74Å; Y135-F293 HydrophobicContact CG-CG 3.74Å; Y135-F293 HydrophobicContact CG-CZ 4.13Å; Y135-F293 AromaticContact CZ-CD1 3.97Å
136W95.2Very high93Very high34 Ų3454.5 Ų54.513%0.12927%0.265CS..Hα-helixtrans-63.2-31.7-177.8-73.4114.8000113.6Y96 E132 S138 I139 Y223 S260Y96-W136 HydrophobicContact CD2-CZ3 4.45Å; Y96-W136 HydrophobicContact CE2-CE3 4.33Å; Y96-W136 HydrophobicContact CE2-CZ3 4.45Å; E132-W136 PolarHBondContact O-N 3.29Å; W136-S138 VanDerWaalsContact C-N 3.3Å; W136-S138 PolarHBondContact O-N 2.81Å; W136-I139 HydrophobicContact CE3-CG2 4.45Å; W136-Y223 AromaticContact CZ2-CE2 3.83Å; W136-Y223 HydrophobicContact CZ2-CE2 3.83Å; W136-Y223 AromaticContact NE1-CZ 3.77Å; W136-Y223 PolarHBondContact NE1-OH 2.87Å; W136-S260 VanDerWaalsContact CH2-CA 3.49Å
137S92.6Very high93Very high96 Ų9645.5 Ų45.567%0.67123%0.231SC*.THydrogen-bonded Turntrans-76.8-10.817778.40000114.6R133 K134 Y135R133-S137 WeakPolarHBondContact O-CB 3.45Å; R133-S137 PolarHBondContact O-N 3.25Å; R133-S137 PolarHBondContact O-OG 3.29Å; K134-S137 PolarHBondContact O-OG 3.48Å; Y135-S137 VanDerWaalsContact C-N 3.29Å; Y135-S137 PolarHBondContact O-N 3.37Å
138S91.8Very high92.8Very high24 Ų2444.2 Ų44.217%0.16823%0.227CC..THydrogen-bonded Turntrans-132.22-174.372.60000115.3K134 Y135 W136 G140 T141 S142 R196K134-S138 WeakPolarHBondContact O-CB 3.48Å; K134-S138 PolarHBondContact O-N 3.23Å; K134-S138 PolarHBondContact O-OG 3.02Å; Y135-S138 PolarHBondContact O-N 2.83Å; W136-S138 VanDerWaalsContact C-N 3.3Å; W136-S138 PolarHBondContact O-N 2.81Å; S138-G140 PolarHBondContact O-N 2.78Å; S138-T141 PolarHBondContact O-N 2.98Å; S138-T141 PolarHBondContact O-OG1 3.38Å; S138-S142 WeakPolarHBondContact O-CB 3.31Å; S138-S142 PolarHBondContact O-N 2.82Å; S138-R196 WeakPolarHBondContact OG-CD 3.34Å; S138-R196 PolarHBondContact OG-NH1 3.28Å
139I91.2Very high92.5Very high2 Ų244.6 Ų44.61%0.0123%0.234CC..G310 helixtrans-60.9-46.6-179.1-170.452.8000111.8T89 Y96 Y135 W136 T141 S142 L258T89-I139 HydrophobicContact CG2-CD1 4.11Å; T89-I139 HydrophobicContact CG2-CG1 4.1Å; T89-I139 PolarHBondContact OG1-O 2.84Å; Y96-I139 HydrophobicContact CD1-CG2 4.34Å; Y96-I139 HydrophobicContact CD2-CG2 3.96Å; Y96-I139 HydrophobicContact CE1-CG2 4.05Å; Y96-I139 HydrophobicContact CE2-CG2 3.64Å; Y96-I139 HydrophobicContact CG-CG2 4.32Å; Y135-I139 HydrophobicContact CE2-CB 4.41Å; Y135-I139 HydrophobicContact CE2-CD1 3.69Å; Y135-I139 HydrophobicContact CE2-CG1 4.11Å; Y135-I139 PolarHBondContact O-N 3.25Å; W136-I139 HydrophobicContact CE3-CG2 4.45Å; I139-T141 PolarHBondContact O-N 2.77Å; I139-T141 VanDerWaalsContact O-N 3.07Å; I139-S142 PolarHBondContact O-N 3.5Å; I139-S142 VanDerWaalsContact O-N 3.09Å; I139-L258 HydrophobicContact CG1-CD1 4.44Å
140G82.6Confident92.4Very high32 Ų3241.4 Ų41.433%0.3322%0.217SC..G310 helixtrans-67.6-4-178.700000116.5T89 S138T89-G140 WeakPolarHBondContact OG1-CA 3.39Å; T89-G140 PolarHBondContact OG1-N 2.94Å; S138-G140 PolarHBondContact O-N 2.78Å
141T79.4Confident92.1Very high123 Ų12342.6 Ų42.676%0.75523%0.226SC*.G310 helixtrans-120.4-1.9173.559.10000112.9S138 I139S138-T141 PolarHBondContact O-N 2.98Å; S138-T141 PolarHBondContact O-OG1 3.38Å; I139-T141 PolarHBondContact O-N 2.77Å; I139-T141 VanDerWaalsContact O-N 3.07Å
142S75.9Confident91.8Very high6 Ų643.9 Ų43.94%0.04224%0.239CC..  trans-93.2149.5-178.1-166.70000111.9S138 I139 P144 R196S138-S142 WeakPolarHBondContact O-CB 3.31Å; S138-S142 PolarHBondContact O-N 2.82Å; I139-S142 PolarHBondContact O-N 3.5Å; I139-S142 VanDerWaalsContact O-N 3.09Å; S142-P144 WeakPolarHBondContact OG-CD 3.43Å; S142-R196 PolarHBondContact OG-NE 3.05Å; S142-R196 PolarHBondContact OG-NH1 2.95Å; S142-R196 PolarHBondContact OG-NH2 3.3Å
143R92.3Very high91.7Very high132 Ų13244.6 Ų44.650%0.49825%0.245SC..  trans-131.764171.5-55-174.989165.78.2111.2Q87 S88 Y120Q87-R143 VanDerWaalsContact O-CA 3.3Å; Q87-R143 WeakPolarHBondContact O-CA 3.46Å; S88-R143 PolarHBondContact OG-NE 2.76Å; S88-R143 PolarHBondContact OG-NH2 2.99Å; Y120-R143 WeakPolarHBondContact CE1-O 3.44Å
144P95.7Very high91.7Very high2 Ų238.6 Ų38.61%0.01322%0.223CC..  trans-69.1154.6-176.632.1-33.4000110.9C86 Q87 S142 M194 R196C86-P144 WeakPolarHBondContact CA-O 3.21Å; Q87-P144 HydrophobicContact CB-CG 4.37Å; Q87-P144 PolarHBondContact N-O 3.34Å; Q87-P144 WeakPolarHBondContact O-CD 3.5Å; S142-P144 WeakPolarHBondContact OG-CD 3.43Å; P144-M194 HydrophobicContact CB-CG 4.25Å; P144-M194 HydrophobicContact CB-SD 4.37Å; P144-R196 HydrophobicContact CB-CB 4.47Å; P144-R196 HydrophobicContact CG-CB 4.19Å; P144-R196 WeakPolarHBondContact CG-O 3.46Å
145L96.1Very high91.7Very high17 Ų1736.1 Ų36.19%0.08921%0.212CC..EExtended strand (participates in β ladder)trans-94.5139.4173.4-173.470.5000109.4P84 I85 C86 R103 L106 F111 I114 M194P84-L145 HydrophobicContact CB-CD1 3.84Å; P84-L145 HydrophobicContact CB-CD2 4.27Å; P84-L145 HydrophobicContact CB-CG 3.9Å; P84-L145 HydrophobicContact CG-CD1 4.12Å; P84-L145 HydrophobicContact CG-CD2 4.15Å; P84-L145 HydrophobicContact CG-CG 4.28Å; I85-L145 CarbonylContact O-C 3.51Å; I85-L145 WeakPolarHBondContact O-CA 3.28Å; C86-L145 HydrophobicContact CB-CD1 4.37Å; R103-L145 HydrophobicContact CB-CD1 4.14Å; R103-L145 HydrophobicContact CG-CD1 3.64Å; L106-L145 HydrophobicContact CD2-CD2 4.4Å; F111-L145 HydrophobicContact CD2-CD2 3.94Å; F111-L145 HydrophobicContact CD2-CG 4.44Å; F111-L145 HydrophobicContact CE2-CB 4.42Å; F111-L145 HydrophobicContact CE2-CD2 3.99Å; F111-L145 HydrophobicContact CE2-CG 4Å; I114-L145 HydrophobicContact CD1-CD2 4.37Å; L145-M194 HydrophobicContact CB-CE 3.69Å; L145-M194 HydrophobicContact CB-SD 4.07Å; L145-M194 PolarHBondContact N-SD 3.36Å; L145-M194 WeakPolarHBondContact O-CE 3.48Å; L145-M194 VanDerWaalsContact O-CG 3.24Å; L145-M194 WeakPolarHBondContact O-CG 3.23Å
146Y97.7Very high91.6Very high13 Ų1337 Ų375%0.05122%0.218CC..EExtended strand (participates in β ladder)trans-135119.7-179.3-166.2-150.1000110.4P84 I85 A148 Y191 Y192 S197 N294P84-Y146 CarbonylContact C-O 3.42Å; P84-Y146 WeakPolarHBondContact CA-O 3.5Å; P84-Y146 WeakPolarHBondContact CB-O 2.74Å; I85-Y146 HydrophobicContact CD1-CD1 4.48Å; I85-Y146 WeakPolarHBondContact CG1-O 3.5Å; I85-Y146 PolarHBondContact N-O 2.92Å; I85-Y146 PolarHBondContact O-N 3.44Å; Y146-A148 VanDerWaalsContact C-N 3.28Å; Y146-A148 HydrophobicContact CD1-CB 3.74Å; Y146-A148 HydrophobicContact CE1-CB 3.83Å; Y146-A148 HydrophobicContact CG-CB 4.3Å; Y146-A148 PolarHBondContact O-N 3.01Å; Y146-A148 VanDerWaalsContact O-N 3.08Å; Y146-Y191 HydrophobicContact CE1-CD1 4.32Å; Y146-Y191 AromaticContact CZ-CD1 3.92Å; Y146-Y191 WeakPolarHBondContact OH-CD1 3.48Å; Y146-Y192 WeakPolarHBondContact CD2-O 3.22Å; Y146-S197 VanDerWaalsContact CD2-OG 3.23Å; Y146-S197 WeakPolarHBondContact CD2-OG 3.38Å; Y146-N294 WeakPolarHBondContact CE2-ND2 3.25Å
147G96.6Very high91.5Very high0 Ų040.1 Ų40.10%024%0.244CC..EExtended strand (participates in β ladder)trans-82.873.6172.700000110.4Y191 Y192G147-Y191 CarbonylContact O-C 3.58Å; G147-Y191 VanDerWaalsContact O-CA 3.28Å; G147-Y191 WeakPolarHBondContact O-CA 3.41Å; G147-Y192 PolarHBondContact N-O 2.95Å; G147-Y192 WeakPolarHBondContact O-CD2 3.38Å; G147-Y192 PolarHBondContact O-N 2.92Å
148A92Very high91.6Very high19 Ų1939.3 Ų39.316%0.15723%0.232CC..EExtended strand (participates in β ladder)trans-90.5154.8-179.600000112.2I85 Y146 V150 Y191I85-A148 HydrophobicContact CD1-CB 4.28Å; Y146-A148 VanDerWaalsContact C-N 3.28Å; Y146-A148 HydrophobicContact CD1-CB 3.74Å; Y146-A148 HydrophobicContact CE1-CB 3.83Å; Y146-A148 HydrophobicContact CG-CB 4.3Å; Y146-A148 PolarHBondContact O-N 3.01Å; Y146-A148 VanDerWaalsContact O-N 3.08Å; A148-V150 PolarHBondContact O-N 3.08Å; A148-Y191 HydrophobicContact CB-CD1 3.92Å; A148-Y191 HydrophobicContact CB-CE1 4.03Å
149N88.1Confident91.7Very high88 Ų8839.3 Ų39.347%0.47123%0.23SC..EExtended strand (participates in β ladder)trans57.233.1172-53.7-6.8000113.9N151 Y189 Y191N149-N151 PolarHBondContact O-N 3.13Å; N149-Y189 HydrophobicContact CB-CD1 4.38Å; N149-Y189 HydrophobicContact CB-CD2 3.93Å; N149-Y189 HydrophobicContact CB-CE1 4.29Å; N149-Y189 HydrophobicContact CB-CE2 3.83Å; N149-Y189 HydrophobicContact CB-CG 4.24Å; N149-Y189 WeakPolarHBondContact O-CE1 3.45Å; N149-Y191 VanDerWaalsContact OD1-CE1 3.26Å; N149-Y191 WeakPolarHBondContact OD1-CE1 3.02Å; N149-Y191 PolarHBondContact OD1-OH 2.99Å
150V92.4Very high91.7Very high6 Ų646.3 Ų46.34%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-80.9115.5176.3-179.20000108.3E82 A148 G152 Y189 L190 Y192E82-V150 HydrophobicContact CB-CG1 4.41Å; E82-V150 HydrophobicContact CB-CG2 4.44Å; A148-V150 PolarHBondContact O-N 3.08Å; V150-G152 PolarHBondContact O-N 2.86Å; V150-Y189 WeakPolarHBondContact O-CA 3.46Å; V150-L190 HydrophobicContact CB-CB 4.32Å; V150-L190 PolarHBondContact N-O 3.06Å; V150-L190 PolarHBondContact O-N 3.19Å; V150-Y192 HydrophobicContact CB-CE2 4.02Å; V150-Y192 HydrophobicContact CG1-CE2 4.15Å; V150-Y192 HydrophobicContact CG2-CD2 4.11Å; V150-Y192 HydrophobicContact CG2-CE2 3.96Å
151N90.6Very high92.3Very high83 Ų8347.4 Ų47.444%0.44426%0.26SS..EExtended strand (participates in β ladder)trans-57.7132.9179.5-78.6-74.5000112N149 Y189N149-N151 PolarHBondContact O-N 3.13Å; N151-Y189 WeakPolarHBondContact OD1-CE1 3.49Å
152G91.9Very high93.1Very high28 Ų2841.8 Ų41.829%0.28923%0.225SC..  trans135-179.116900000114V150 P188 L190V150-G152 PolarHBondContact O-N 2.86Å; G152-P188 PolarHBondContact N-O 3.29Å; G152-P188 CarbonylContact O-C 3.05Å; G152-P188 WeakPolarHBondContact O-CB 3.35Å; G152-P188 WeakPolarHBondContact O-CG 3.39Å; G152-L190 WeakPolarHBondContact O-CG 3.4Å
153T95Very high94.1Very high38 Ų3841.7 Ų41.723%0.23322%0.224CC..  trans-129.9147.7-179.6-178.20000111.6R79 M155 E301R79-T153 PolarHBondContact NH2-O 3.4Å; T153-M155 PolarHBondContact OG1-N 3Å; T153-E301 VanDerWaalsContact CA-OE2 3.24Å; T153-E301 WeakPolarHBondContact CA-OE2 3.41Å; T153-E301 WeakPolarHBondContact CB-OE1 3.46Å; T153-E301 PolarHBondContact OG1-OE1 2.74Å; T153-E301 PolarHBondContact OG1-OE2 3.45Å
154L95.6Very high94.2Very high4 Ų435.5 Ų35.52%0.02120%0.201CC..  trans-94.5-17.5165.4-62.7-170.2000112.1R69 Y73 I76 R79 L190 H215 I299 E301R69-L154 WeakPolarHBondContact CD-O 3.11Å; R69-L154 WeakPolarHBondContact CG-O 3.49Å; R69-L154 PolarHBondContact NE-O 3.06Å; Y73-L154 HydrophobicContact CD1-CD1 4.33Å; Y73-L154 HydrophobicContact CE1-CD1 4.09Å; I76-L154 HydrophobicContact CG2-CD2 4.45Å; R79-L154 VanDerWaalsContact CZ-CD2 3.49Å; L154-L190 HydrophobicContact CD2-CD1 3.91Å; L154-L190 HydrophobicContact CG-CD1 4.06Å; L154-L190 HydrophobicContact CG-CD2 3.85Å; L154-H215 HydrophobicContact CD1-CB 3.98Å; L154-I299 HydrophobicContact CD1-CD1 4.45Å; L154-I299 HydrophobicContact CD1-CG2 3.87Å; L154-E301 PolarHBondContact N-OE2 2.75Å
155M96.1Very high94Very high10 Ų1037.3 Ų37.35%0.04921%0.213CC..SBendtrans-65.7147.4-178-62.4-168.2173.900112.3W66 G68 T153 I164 Y213 F281W66-M155 HydrophobicContact CH2-CE 4.27Å; G68-M155 CarbonylContact O-C 3.59Å; G68-M155 VanDerWaalsContact O-CA 3.24Å; G68-M155 WeakPolarHBondContact O-CA 3.37Å; T153-M155 PolarHBondContact OG1-N 3Å; M155-I164 HydrophobicContact CE-CB 4.38Å; M155-I164 HydrophobicContact CE-CD1 3.73Å; M155-I164 HydrophobicContact CE-CG1 3.71Å; M155-I164 HydrophobicContact SD-CB 4.3Å; M155-I164 HydrophobicContact SD-CG1 4.17Å; M155-I164 PolarHBondContact SD-N 3.46Å; M155-I164 VanDerWaalsContact SD-N 3.45Å; M155-Y213 HydrophobicContact CE-CD1 3.69Å; M155-Y213 HydrophobicContact CE-CE1 4.33Å; M155-Y213 HydrophobicContact CE-CG 3.9Å; M155-F281 HydrophobicContact CE-CE1 4.33Å; M155-F281 HydrophobicContact CE-CZ 4.38Å
156D95.7Very high93.8Very high21 Ų2142.1 Ų42.111%0.11223%0.233CC..  trans-66.4141.7177.5-66.8-29.4000110.3G68 R69 R70 D158 Q159 N163G68-D156 PolarHBondContact O-N 3.01Å; R69-D156 WeakPolarHBondContact CA-OD2 3.32Å; R70-D156 IonicContact CZ-OD2 2.71Å; R70-D156 PolarHBondContact N-OD2 3.32Å; R70-D156 IonicContact NE-OD2 2.93Å; R70-D156 IonicContact NH1-OD2 3.4Å; R70-D156 PolarHBondContact NH1-OD2 3.44Å; D156-D158 WeakPolarHBondContact CB-OD1 3.05Å; D156-D158 PolarHBondContact O-N 3.11Å; D156-Q159 WeakPolarHBondContact O-CB 3.44Å; D156-Q159 PolarHBondContact O-N 2.78Å; D156-N163 PolarHBondContact O-ND2 3.48Å
157S92.5Very high93.5Very high99 Ų9942.1 Ų42.169%0.69223%0.234SC*.THydrogen-bonded Turntrans-65.6-22.6-174.151.90000114.1K166S157-K166 PolarHBondContact O-NZ 3.31Å
158D93.6Very high93.2Very high78 Ų7845.6 Ų45.642%0.41725%0.253SS..THydrogen-bonded Turntrans-98.84.3176.770.2-15.4000113.5R70 D156 H160R70-D158 IonicContact CZ-OD1 3.85Å; R70-D158 VanDerWaalsContact CZ-OD1 3.29Å; R70-D158 IonicContact CZ-OD2 2.66Å; R70-D158 IonicContact NH1-OD1 3.98Å; R70-D158 PolarHBondContact NH1-OD1 3.21Å; R70-D158 IonicContact NH1-OD2 3.21Å; R70-D158 IonicContact NH2-OD1 3.05Å; R70-D158 PolarHBondContact NH2-OD1 3.49Å; R70-D158 IonicContact NH2-OD2 2.79Å; R70-D158 PolarHBondContact NH2-OD2 3.4Å; D156-D158 WeakPolarHBondContact CB-OD1 3.05Å; D156-D158 PolarHBondContact O-N 3.11Å; D158-H160 PolarHBondContact O-CD2 3.36Å; D158-H160 PolarHBondContact O-N 3.07Å; D158-H160 PolarHBondContact O-NE2 3.46Å
159Q94.1Very high93.3Very high24 Ų2444.8 Ų44.811%0.11225%0.246CC..  trans-72.6117.4163.8-178.652.8-91.800108W66 V67 D156 I161 N163W66-Q159 HydrophobicContact CZ2-CG 4.49Å; V67-Q159 PolarHBondContact O-NE2 3.02Å; D156-Q159 WeakPolarHBondContact O-CB 3.44Å; D156-Q159 PolarHBondContact O-N 2.78Å; Q159-I161 WeakPolarHBondContact CG-O 3.32Å; Q159-I161 PolarHBondContact OE1-O 3.24Å; Q159-N163 HydrophobicContact CG-CB 4.41Å; Q159-N163 VanDerWaalsContact O-CB 3.26Å; Q159-N163 WeakPolarHBondContact O-CB 3.34Å; Q159-N163 PolarHBondContact O-ND2 3.26Å
160H91.6Very high93.5Very high150 Ų15041 Ų4169%0.69423%0.226SC*.  trans-101.7-25.9-179.3-65.6-75.3000112.8D158D158-H160 PolarHBondContact O-CD2 3.36Å; D158-H160 PolarHBondContact O-N 3.07Å; D158-H160 PolarHBondContact O-NE2 3.46Å
161I95.3Very high93.5Very high55 Ų5540.8 Ų40.828%0.28223%0.225SC..SBendtrans-92.9125-177.3-60.2173.8000108.3F37 W66 Q159 N163F37-I161 HydrophobicContact CD1-CG2 3.65Å; F37-I161 HydrophobicContact CE1-CG2 3.92Å; F37-I161 VanDerWaalsContact O-CG2 3.31Å; F37-I161 WeakPolarHBondContact O-CG2 3.44Å; W66-I161 PolarHBondContact NE1-O 2.86Å; Q159-I161 WeakPolarHBondContact CG-O 3.32Å; Q159-I161 PolarHBondContact OE1-O 3.24Å; I161-N163 PolarHBondContact O-N 3.02Å; I161-N163 VanDerWaalsContact O-N 3.11Å
162W96.6Very high93.5Very high5 Ų538.3 Ų38.32%0.01921%0.214CC..SBendtrans53.330.3177.7-74.758.1000114.7F37 F40 C43 I44 V60 W66 I164 I211 F281 I283F37-W162 AromaticContact CD1-CD1 3.96Å; F37-W162 HydrophobicContact CD1-CG 4.35Å; F37-W162 AromaticContact CD2-CD2 3.99Å; F37-W162 HydrophobicContact CD2-CD2 3.99Å; F37-W162 AromaticContact CD2-CE2 3.46Å; F37-W162 VanDerWaalsContact CD2-CE2 3.46Å; F37-W162 HydrophobicContact CD2-CG 4.33Å; F37-W162 HydrophobicContact CD2-CH2 4.45Å; F37-W162 AromaticContact CD2-CZ2 3.74Å; F37-W162 HydrophobicContact CD2-CZ2 3.74Å; F37-W162 AromaticContact CD2-NE1 3.5Å; F37-W162 HydrophobicContact CE1-CB 3.95Å; F37-W162 AromaticContact CE1-CD1 3.74Å; F37-W162 HydrophobicContact CE1-CD2 4.14Å; F37-W162 AromaticContact CE1-CG 3.68Å; F37-W162 HydrophobicContact CE1-CG 3.68Å; F37-W162 AromaticContact CE2-CD1 3.88Å; F37-W162 AromaticContact CE2-CD2 3.24Å; F37-W162 HydrophobicContact CE2-CD2 3.24Å; F37-W162 AromaticContact CE2-CE2 3.19Å; F37-W162 AromaticContact CE2-CE3 3.61Å; F37-W162 HydrophobicContact CE2-CE3 3.61Å; F37-W162 AromaticContact CE2-CG 3.72Å; F37-W162 HydrophobicContact CE2-CG 3.72Å; F37-W162 AromaticContact CE2-CH2 3.91Å; F37-W162 HydrophobicContact CE2-CH2 3.91Å; F37-W162 AromaticContact CE2-CZ2 3.56Å; F37-W162 HydrophobicContact CE2-CZ2 3.56Å; F37-W162 AromaticContact CE2-CZ3 3.93Å; F37-W162 HydrophobicContact CE2-CZ3 3.93Å; F37-W162 AromaticContact CE2-NE1 3.58Å; F37-W162 AromaticContact CG-NE1 3.84Å; F37-W162 HydrophobicContact CZ-CB 3.78Å; F37-W162 AromaticContact CZ-CD1 3.71Å; F37-W162 AromaticContact CZ-CD2 3.32Å; F37-W162 HydrophobicContact CZ-CD2 3.32Å; F37-W162 AromaticContact CZ-CE2 3.74Å; F37-W162 AromaticContact CZ-CE3 3.74Å; F37-W162 HydrophobicContact CZ-CE3 3.74Å; F37-W162 AromaticContact CZ-CG 3.33Å; F37-W162 HydrophobicContact CZ-CG 3.33Å; F37-W162 HydrophobicContact CZ-CZ2 4.48Å; F37-W162 HydrophobicContact CZ-CZ3 4.47Å; F37-W162 AromaticContact CZ-NE1 3.92Å; F37-W162 PolarHBondContact O-NE1 3.22Å; F40-W162 AromaticContact CD2-CD2 3.75Å; F40-W162 HydrophobicContact CD2-CD2 3.75Å; F40-W162 AromaticContact CD2-CE2 3.65Å; F40-W162 HydrophobicContact CD2-CE3 4.07Å; F40-W162 HydrophobicContact CD2-CG 4.26Å; F40-W162 HydrophobicContact CD2-CH2 4.18Å; F40-W162 AromaticContact CD2-CZ2 3.88Å; F40-W162 HydrophobicContact CD2-CZ2 3.88Å; F40-W162 HydrophobicContact CD2-CZ3 4.27Å; F40-W162 HydrophobicContact CE2-CD2 4.43Å; F40-W162 HydrophobicContact CE2-CE3 4.3Å; F40-W162 HydrophobicContact CE2-CH2 4.29Å; F40-W162 HydrophobicContact CE2-CZ2 4.43Å; F40-W162 HydrophobicContact CE2-CZ3 4.23Å; C43-W162 HydrophobicContact CB-CZ2 3.92Å; I44-W162 HydrophobicContact CD1-CH2 3.56Å; I44-W162 HydrophobicContact CD1-CZ2 4.07Å; I44-W162 HydrophobicContact CD1-CZ3 4.39Å; V60-W162 HydrophobicContact CB-CH2 4.09Å; V60-W162 HydrophobicContact CB-CZ3 4.2Å; V60-W162 HydrophobicContact CG1-CH2 3.79Å; V60-W162 HydrophobicContact CG1-CZ2 4.49Å; V60-W162 HydrophobicContact CG1-CZ3 4.17Å; V60-W162 HydrophobicContact CG2-CH2 4.05Å; V60-W162 HydrophobicContact CG2-CZ3 4.46Å; W66-W162 HydrophobicContact CZ2-CB 4.27Å; W162-I164 PolarHBondContact O-N 3.01Å; W162-I211 HydrophobicContact CE3-CD1 3.97Å; W162-I211 HydrophobicContact CZ3-CD1 4.17Å; W162-F281 HydrophobicContact CB-CZ 4Å; W162-F281 AromaticContact CE3-CD1 3.96Å; W162-F281 HydrophobicContact CE3-CD1 3.96Å; W162-F281 AromaticContact CE3-CD2 3.93Å; W162-F281 HydrophobicContact CE3-CD2 3.93Å; W162-F281 AromaticContact CE3-CE1 3.91Å; W162-F281 HydrophobicContact CE3-CE1 3.91Å; W162-F281 AromaticContact CE3-CE2 3.91Å; W162-F281 HydrophobicContact CE3-CE2 3.91Å; W162-F281 AromaticContact CE3-CG 3.95Å; W162-F281 HydrophobicContact CE3-CG 3.95Å; W162-F281 AromaticContact CE3-CZ 3.88Å; W162-F281 HydrophobicContact CE3-CZ 3.88Å; W162-F281 HydrophobicContact CZ3-CB 4.2Å; W162-F281 HydrophobicContact CZ3-CD1 4.24Å; W162-F281 HydrophobicContact CZ3-CD2 4.17Å; W162-F281 AromaticContact CZ3-CG 3.97Å; W162-F281 HydrophobicContact CZ3-CG 3.97Å; W162-I283 HydrophobicContact CZ3-CD1 4.4Å
163N95.8Very high93.5Very high3 Ų342.2 Ų42.22%0.01622%0.22CC..  trans-75.2112.9174.1-170.6-32.1000109.8D156 Q159 I161 S165 K166 L167D156-N163 PolarHBondContact O-ND2 3.48Å; Q159-N163 HydrophobicContact CG-CB 4.41Å; Q159-N163 VanDerWaalsContact O-CB 3.26Å; Q159-N163 WeakPolarHBondContact O-CB 3.34Å; Q159-N163 PolarHBondContact O-ND2 3.26Å; I161-N163 PolarHBondContact O-N 3.02Å; I161-N163 VanDerWaalsContact O-N 3.11Å; N163-S165 PolarHBondContact O-N 3.47Å; N163-S165 VanDerWaalsContact O-N 3.13Å; N163-S165 WeakPolarHBondContact OD1-CB 3.41Å; N163-S165 PolarHBondContact OD1-N 3.41Å; N163-S165 PolarHBondContact OD1-OG 3.31Å; N163-K166 CarbonylContact O-C 3.06Å; N163-K166 PolarHBondContact O-N 3.3Å; N163-L167 WeakPolarHBondContact O-CD2 3.33Å; N163-L167 WeakPolarHBondContact O-CG 3.39Å; N163-L167 PolarHBondContact O-N 3.37Å
164I95.8Very high93.3Very high3 Ų340.5 Ų40.52%0.01521%0.21CC..G310 helixtrans-57.1-32.1-176.1-65.3-179.3000111.6M155 W162 K166 P188 I211 F281 E301 T303M155-I164 HydrophobicContact CE-CB 4.38Å; M155-I164 HydrophobicContact CE-CD1 3.73Å; M155-I164 HydrophobicContact CE-CG1 3.71Å; M155-I164 HydrophobicContact SD-CB 4.3Å; M155-I164 HydrophobicContact SD-CG1 4.17Å; M155-I164 PolarHBondContact SD-N 3.46Å; M155-I164 VanDerWaalsContact SD-N 3.45Å; W162-I164 PolarHBondContact O-N 3.01Å; I164-K166 PolarHBondContact O-N 2.84Å; I164-P188 HydrophobicContact CG2-CB 4.08Å; I164-I211 HydrophobicContact CG1-CD1 4.41Å; I164-I211 HydrophobicContact CG1-CG2 4.5Å; I164-F281 HydrophobicContact CD1-CE1 4.33Å; I164-F281 HydrophobicContact CG1-CE1 4.41Å; I164-E301 HydrophobicContact CB-CG 4.27Å; I164-E301 HydrophobicContact CD1-CB 4.12Å; I164-E301 HydrophobicContact CD1-CG 4.07Å; I164-E301 WeakPolarHBondContact CD1-O 3.23Å; I164-E301 HydrophobicContact CG2-CG 4.12Å; I164-T303 HydrophobicContact CG2-CG2 3.53Å
165S91.9Very high93Very high40 Ų4040.9 Ų40.928%0.2821%0.211SC..G310 helixtrans-71.6-11.5177.1710000115.4N163N163-S165 PolarHBondContact O-N 3.47Å; N163-S165 VanDerWaalsContact O-N 3.13Å; N163-S165 WeakPolarHBondContact OD1-CB 3.41Å; N163-S165 PolarHBondContact OD1-N 3.41Å; N163-S165 PolarHBondContact OD1-OG 3.31Å
166K90.4Very high92.6Very high117 Ų11748.3 Ų48.351%0.50925%0.246SC..G310 helixtrans-145.234.6-170.4-60.8174.8-172.1174.10112.8S157 N163 I164 D168S157-K166 PolarHBondContact O-NZ 3.31Å; N163-K166 CarbonylContact O-C 3.06Å; N163-K166 PolarHBondContact O-N 3.3Å; I164-K166 PolarHBondContact O-N 2.84Å; K166-D168 PolarHBondContact O-N 3.03Å
167L92.1Very high92.3Very high13 Ų1352.7 Ų52.77%0.06827%0.265CS..  trans-67.1123.2-178.5-64170.8000111.1F40 N163 S169 S172 I211 T303F40-L167 HydrophobicContact CD1-CB 4.18Å; F40-L167 HydrophobicContact CD1-CD2 4.08Å; F40-L167 HydrophobicContact CD2-CD2 4.14Å; F40-L167 HydrophobicContact CE1-CB 4.14Å; F40-L167 HydrophobicContact CE1-CD1 4.27Å; F40-L167 HydrophobicContact CE1-CD2 4.25Å; F40-L167 HydrophobicContact CE1-CG 4.45Å; F40-L167 HydrophobicContact CE2-CD2 4.32Å; F40-L167 HydrophobicContact CG-CD2 4.02Å; F40-L167 HydrophobicContact CZ-CD1 4.21Å; F40-L167 HydrophobicContact CZ-CD2 4.37Å; N163-L167 WeakPolarHBondContact O-CD2 3.33Å; N163-L167 WeakPolarHBondContact O-CG 3.39Å; N163-L167 PolarHBondContact O-N 3.37Å; L167-S169 PolarHBondContact O-N 3.41Å; L167-S172 WeakPolarHBondContact O-CB 3.25Å; L167-S172 PolarHBondContact O-OG 3.39Å; L167-I211 HydrophobicContact CD1-CD1 4.29Å; L167-I211 HydrophobicContact CD1-CG2 3.49Å; L167-I211 VanDerWaalsContact CD1-CG2 3.49Å; L167-T303 HydrophobicContact CD1-CG2 3.72Å
168D90.8Very high92Very high73 Ų7352.9 Ų52.939%0.3926%0.255SS..  trans-74.3116171.9-179.226.5000110.4S41 K166 R173S41-D168 PolarHBondContact OG-O 2.88Å; K166-D168 PolarHBondContact O-N 3.03Å; D168-R173 VanDerWaalsContact CG-NH2 3.29Å; D168-R173 IonicContact OD1-CZ 3.51Å; D168-R173 IonicContact OD1-NE 3.58Å; D168-R173 PolarHBondContact OD1-NE 3.24Å; D168-R173 IonicContact OD1-NH2 3.29Å; D168-R173 PolarHBondContact OD1-NH2 3.31Å; D168-R173 VanDerWaalsContact OD1-NH2 3.17Å; D168-R173 IonicContact OD2-CZ 2.88Å; D168-R173 IonicContact OD2-NE 2.73Å; D168-R173 IonicContact OD2-NH2 3.16Å; D168-R173 PolarHBondContact OD2-NH2 2.89Å
169S92.9Very high91.5Very high3 Ų352.4 Ų52.42%0.02127%0.269CS..SBendtrans-157169.2-171.977.20000111.3L167 L171 S172 R173 A306L167-S169 PolarHBondContact O-N 3.41Å; S169-L171 PolarHBondContact O-N 3.08Å; S169-L171 PolarHBondContact OG-N 3.1Å; S169-S172 PolarHBondContact N-OG 3.26Å; S169-S172 PolarHBondContact O-N 3.15Å; S169-S172 PolarHBondContact O-OG 3.28Å; S169-S172 PolarHBondContact OG-N 2.8Å; S169-S172 PolarHBondContact OG-OG 3.01Å; S169-R173 WeakPolarHBondContact O-CB 3.3Å; S169-R173 VanDerWaalsContact O-CG 3.24Å; S169-R173 WeakPolarHBondContact O-CG 3.22Å; S169-R173 PolarHBondContact O-N 3.16Å; S169-R173 VanDerWaalsContact O-N 3.12Å; S169-A306 WeakPolarHBondContact CB-O 3.34Å
170V93.4Very high90.8Very high8 Ų853.8 Ų53.85%0.04828%0.279CS..Hα-helixtrans-59-34.8173.1166.20000111.7V174 A306 T308 I311 F334 F338V170-V174 WeakPolarHBondContact O-CG2 3.38Å; V170-V174 PolarHBondContact O-N 3.05Å; V170-A306 HydrophobicContact CB-CB 4.01Å; V170-A306 WeakPolarHBondContact CB-O 3.39Å; V170-A306 HydrophobicContact CG1-CB 4.29Å; V170-A306 PolarHBondContact N-O 3.5Å; V170-T308 HydrophobicContact CG2-CG2 3.91Å; V170-I311 HydrophobicContact CG1-CD1 4.31Å; V170-I311 HydrophobicContact CG1-CG1 4.5Å; V170-F334 HydrophobicContact CG1-CD1 3.87Å; V170-F334 HydrophobicContact CG1-CE1 4.21Å; V170-F338 HydrophobicContact CB-CE2 4.47Å; V170-F338 HydrophobicContact CB-CZ 4.34Å; V170-F338 HydrophobicContact CG1-CD2 4.1Å; V170-F338 HydrophobicContact CG1-CE2 3.64Å; V170-F338 HydrophobicContact CG1-CZ 3.98Å; V170-F338 HydrophobicContact CG2-CE1 4.1Å; V170-F338 HydrophobicContact CG2-CE2 4.42Å; V170-F338 HydrophobicContact CG2-CZ 3.95Å
171L92.7Very high90Very high1 Ų154.3 Ų54.31%0.00528%0.282CS..Hα-helixtrans-68.6-53-178.9-173.266.4000111.3S169 F175 V185 L208 N304 A306 I329 F334S169-L171 PolarHBondContact O-N 3.08Å; S169-L171 PolarHBondContact OG-N 3.1Å; L171-F175 HydrophobicContact CD1-CD2 3.97Å; L171-F175 HydrophobicContact CD1-CE1 4.17Å; L171-F175 HydrophobicContact CD1-CE2 3.52Å; L171-F175 HydrophobicContact CD1-CG 4.48Å; L171-F175 HydrophobicContact CD1-CZ 3.64Å; L171-F175 HydrophobicContact CG-CD2 4.1Å; L171-F175 HydrophobicContact CG-CE2 4.05Å; L171-F175 VanDerWaalsContact O-CB 3.3Å; L171-F175 WeakPolarHBondContact O-CB 3.49Å; L171-F175 WeakPolarHBondContact O-CG 3.36Å; L171-F175 PolarHBondContact O-N 3.11Å; L171-V185 HydrophobicContact CD2-CG1 4.14Å; L171-L208 HydrophobicContact CD1-CD2 4.32Å; L171-L208 HydrophobicContact CD2-CD1 4.1Å; L171-L208 HydrophobicContact CD2-CD2 4.22Å; L171-N304 HydrophobicContact CD2-CB 4.45Å; L171-A306 HydrophobicContact CB-CB 3.87Å; L171-I329 HydrophobicContact CD1-CD1 4.34Å; L171-F334 HydrophobicContact CD1-CE1 4.39Å; L171-F334 HydrophobicContact CD1-CZ 4.03Å
172S90.7Very high89.2Confident32 Ų3253.3 Ų53.322%0.22428%0.277CS..Hα-helixtrans-65.7-43.1-177.538.50000112.4L167 S169 V174 F175 E176L167-S172 WeakPolarHBondContact O-CB 3.25Å; L167-S172 PolarHBondContact O-OG 3.39Å; S169-S172 PolarHBondContact N-OG 3.26Å; S169-S172 PolarHBondContact O-N 3.15Å; S169-S172 PolarHBondContact O-OG 3.28Å; S169-S172 PolarHBondContact OG-N 2.8Å; S169-S172 PolarHBondContact OG-OG 3.01Å; S172-V174 PolarHBondContact O-N 3.08Å; S172-F175 PolarHBondContact O-N 2.97Å; S172-E176 VanDerWaalsContact O-CB 3.3Å; S172-E176 WeakPolarHBondContact O-CB 3.33Å; S172-E176 PolarHBondContact O-N 2.8Å
173R91Very high88.1Confident109 Ų10956.5 Ų56.541%0.41130%0.298SS..Hα-helixtrans-57.8-47.4176.9-68.8171.1-171.9179.53.1112.6D168 S169 E177D168-R173 VanDerWaalsContact CG-NH2 3.29Å; D168-R173 IonicContact OD1-CZ 3.51Å; D168-R173 IonicContact OD1-NE 3.58Å; D168-R173 PolarHBondContact OD1-NE 3.24Å; D168-R173 IonicContact OD1-NH2 3.29Å; D168-R173 PolarHBondContact OD1-NH2 3.31Å; D168-R173 VanDerWaalsContact OD1-NH2 3.17Å; D168-R173 IonicContact OD2-CZ 2.88Å; D168-R173 IonicContact OD2-NE 2.73Å; D168-R173 IonicContact OD2-NH2 3.16Å; D168-R173 PolarHBondContact OD2-NH2 2.89Å; S169-R173 WeakPolarHBondContact O-CB 3.3Å; S169-R173 VanDerWaalsContact O-CG 3.24Å; S169-R173 WeakPolarHBondContact O-CG 3.22Å; S169-R173 PolarHBondContact O-N 3.16Å; S169-R173 VanDerWaalsContact O-N 3.12Å; R173-E177 WeakPolarHBondContact O-CG 3.34Å; R173-E177 PolarHBondContact O-N 3.43Å
174V90.8Very high86.9Confident2 Ų256.7 Ų56.71%0.01230%0.301CS..Hα-helixtrans-70.6-40.1179.9172.20000111.5V170 S172 E176 E177 E178 P333 F334 F338V170-V174 WeakPolarHBondContact O-CG2 3.38Å; V170-V174 PolarHBondContact O-N 3.05Å; S172-V174 PolarHBondContact O-N 3.08Å; V174-E176 VanDerWaalsContact C-N 3.33Å; V174-E177 PolarHBondContact O-N 3.39Å; V174-E178 HydrophobicContact CG1-CG 4.23Å; V174-E178 WeakPolarHBondContact O-CB 3.31Å; V174-E178 VanDerWaalsContact O-CG 3.32Å; V174-E178 WeakPolarHBondContact O-CG 3.25Å; V174-E178 PolarHBondContact O-N 3.17Å; V174-P333 HydrophobicContact CG1-CB 3.6Å; V174-F334 HydrophobicContact CB-CD1 4.04Å; V174-F334 HydrophobicContact CB-CE1 3.56Å; V174-F334 HydrophobicContact CB-CZ 3.95Å; V174-F334 HydrophobicContact CG1-CD1 4.04Å; V174-F334 HydrophobicContact CG1-CD2 4.31Å; V174-F334 HydrophobicContact CG1-CE1 3.7Å; V174-F334 HydrophobicContact CG1-CE2 3.99Å; V174-F334 HydrophobicContact CG1-CG 4.35Å; V174-F334 HydrophobicContact CG1-CZ 3.68Å; V174-F334 HydrophobicContact CG2-CD1 3.77Å; V174-F334 HydrophobicContact CG2-CE1 3.79Å; V174-F338 HydrophobicContact CG2-CE2 3.7Å
175F89.5Confident86Confident12 Ų1256.7 Ų56.75%0.05330%0.301CS..Hα-helixtrans-71.4-27.3178.8-77.82.9000113.1L171 S172 G179 V180 I182 N186 I329 F334L171-F175 HydrophobicContact CD1-CD2 3.97Å; L171-F175 HydrophobicContact CD1-CE1 4.17Å; L171-F175 HydrophobicContact CD1-CE2 3.52Å; L171-F175 HydrophobicContact CD1-CG 4.48Å; L171-F175 HydrophobicContact CD1-CZ 3.64Å; L171-F175 HydrophobicContact CG-CD2 4.1Å; L171-F175 HydrophobicContact CG-CE2 4.05Å; L171-F175 VanDerWaalsContact O-CB 3.3Å; L171-F175 WeakPolarHBondContact O-CB 3.49Å; L171-F175 WeakPolarHBondContact O-CG 3.36Å; L171-F175 PolarHBondContact O-N 3.11Å; S172-F175 PolarHBondContact O-N 2.97Å; F175-G179 CarbonylContact O-C 3.55Å; F175-G179 WeakPolarHBondContact O-CA 3.42Å; F175-G179 PolarHBondContact O-N 3.33Å; F175-V180 HydrophobicContact CB-CB 4.24Å; F175-V180 HydrophobicContact CD1-CB 4.11Å; F175-V180 HydrophobicContact CD1-CG1 4.19Å; F175-V180 HydrophobicContact CD2-CG1 4.19Å; F175-V180 HydrophobicContact CE1-CG1 4.26Å; F175-V180 HydrophobicContact CE2-CG1 4.27Å; F175-V180 HydrophobicContact CG-CB 4.07Å; F175-V180 HydrophobicContact CG-CG1 4.15Å; F175-V180 HydrophobicContact CZ-CG1 4.3Å; F175-V180 PolarHBondContact O-N 3.43Å; F175-I182 HydrophobicContact CE2-CD1 3.89Å; F175-I182 HydrophobicContact CE2-CG1 4.41Å; F175-I182 HydrophobicContact CZ-CD1 3.95Å; F175-N186 HydrophobicContact CD2-CB 3.94Å; F175-I329 HydrophobicContact CE1-CG2 4.05Å; F175-I329 HydrophobicContact CZ-CD1 4.07Å; F175-I329 HydrophobicContact CZ-CG1 4.06Å; F175-I329 HydrophobicContact CZ-CG2 3.87Å; F175-F334 AromaticContact CD1-CZ 3.95Å; F175-F334 HydrophobicContact CD1-CZ 3.95Å; F175-F334 AromaticContact CE1-CE2 3.89Å; F175-F334 HydrophobicContact CE1-CE2 3.89Å; F175-F334 AromaticContact CE1-CZ 3.56Å; F175-F334 HydrophobicContact CE1-CZ 3.56Å; F175-F334 HydrophobicContact CZ-CZ 4.29Å
176E88.2Confident85.5Confident167 Ų16756.5 Ų56.578%0.7830%0.297SS*.Hα-helixtrans-70.7-45.6168.7-173.1171.3-158.900111.4S172 V174 E178 G179S172-E176 VanDerWaalsContact O-CB 3.3Å; S172-E176 WeakPolarHBondContact O-CB 3.33Å; S172-E176 PolarHBondContact O-N 2.8Å; V174-E176 VanDerWaalsContact C-N 3.33Å; E176-E178 VanDerWaalsContact C-N 3.33Å; E176-E178 PolarHBondContact O-N 3.42Å; E176-G179 PolarHBondContact O-N 3.35Å
177E88.1Confident85.3Confident112 Ų11252.2 Ų52.252%0.52328%0.281SS..Hα-helixtrans-59.2-38.7174.6-75.1177.6-179.800112.3R173 V174 R337R173-E177 WeakPolarHBondContact O-CG 3.34Å; R173-E177 PolarHBondContact O-N 3.43Å; V174-E177 PolarHBondContact O-N 3.39Å; E177-R337 IonicContact OE1-CZ 2.68Å; E177-R337 IonicContact OE1-NE 2.75Å; E177-R337 PolarHBondContact OE1-NE 3.31Å; E177-R337 IonicContact OE1-NH2 2.86Å; E177-R337 PolarHBondContact OE1-NH2 3.41Å; E177-R337 IonicContact OE2-NE 3Å; E177-R337 PolarHBondContact OE2-NE 3.41Å; E177-R337 VanDerWaalsContact OE2-NE 3.15Å
178E86.1Confident85.3Confident103 Ų10352.3 Ų52.348%0.48128%0.282SS..THydrogen-bonded Turntrans-93.7-3.7-178.4-61.7-81.3154.500114.1V174 E176 V180 P333V174-E178 HydrophobicContact CG1-CG 4.23Å; V174-E178 WeakPolarHBondContact O-CB 3.31Å; V174-E178 VanDerWaalsContact O-CG 3.32Å; V174-E178 WeakPolarHBondContact O-CG 3.25Å; V174-E178 PolarHBondContact O-N 3.17Å; E176-E178 VanDerWaalsContact C-N 3.33Å; E176-E178 PolarHBondContact O-N 3.42Å; E178-V180 HydrophobicContact CB-CG2 4.08Å; E178-P333 HydrophobicContact CG-CB 4.01Å; E178-P333 HydrophobicContact CG-CG 4Å
179G84.3Confident85.4Confident69 Ų6950.7 Ų50.771%0.71127%0.271SS*.THydrogen-bonded Turntrans70.128.8179.400000115.6F175 E176F175-G179 CarbonylContact O-C 3.55Å; F175-G179 WeakPolarHBondContact O-CA 3.42Å; F175-G179 PolarHBondContact O-N 3.33Å; E176-G179 PolarHBondContact O-N 3.35Å
180V79.4Confident85.6Confident53 Ų5350.7 Ų50.732%0.32127%0.27SS..  trans-100.3131.1-172.6175.10000112.1F175 E178 I182 N186F175-V180 HydrophobicContact CB-CB 4.24Å; F175-V180 HydrophobicContact CD1-CB 4.11Å; F175-V180 HydrophobicContact CD1-CG1 4.19Å; F175-V180 HydrophobicContact CD2-CG1 4.19Å; F175-V180 HydrophobicContact CE1-CG1 4.26Å; F175-V180 HydrophobicContact CE2-CG1 4.27Å; F175-V180 HydrophobicContact CG-CB 4.07Å; F175-V180 HydrophobicContact CG-CG1 4.15Å; F175-V180 HydrophobicContact CZ-CG1 4.3Å; F175-V180 PolarHBondContact O-N 3.43Å; E178-V180 HydrophobicContact CB-CG2 4.08Å; V180-I182 HydrophobicContact CG1-CD1 4.08Å; V180-I182 HydrophobicContact CG1-CG1 3.88Å; V180-N186 PolarHBondContact O-ND2 3.23Å
181Q75.4Confident85.9Confident161 Ų16152.3 Ų52.375%0.75228%0.276SS*.  trans-128.4127.9167.7-68.9-172.5-12.800110.7N186Q181-N186 WeakPolarHBondContact CA-OD1 3.44Å
182I76.8Confident86.1Confident34 Ų3452.4 Ų52.417%0.17428%0.276CS..  trans-126.1110.6-179.2-57.5176.9000107.5F175 V180 G184 V185 N186 V327 I329F175-I182 HydrophobicContact CE2-CD1 3.89Å; F175-I182 HydrophobicContact CE2-CG1 4.41Å; F175-I182 HydrophobicContact CZ-CD1 3.95Å; V180-I182 HydrophobicContact CG1-CD1 4.08Å; V180-I182 HydrophobicContact CG1-CG1 3.88Å; I182-G184 PolarHBondContact O-N 3.5Å; I182-V185 HydrophobicContact CB-CB 3.97Å; I182-V185 HydrophobicContact CB-CG2 4.38Å; I182-V185 HydrophobicContact CG2-CB 3.8Å; I182-V185 HydrophobicContact CG2-CG2 3.64Å; I182-V185 PolarHBondContact O-N 2.96Å; I182-N186 PolarHBondContact N-OD1 2.74Å; I182-N186 PolarHBondContact O-N 3.33Å; I182-N186 PolarHBondContact O-OD1 3.05Å; I182-V327 HydrophobicContact CG2-CG1 4.35Å; I182-V327 HydrophobicContact CG2-CG2 4.45Å; I182-I329 HydrophobicContact CD1-CG1 4.27Å
183P74.7Confident86.4Confident71 Ų7150.9 Ų50.946%0.46127%0.265SS..THydrogen-bonded Turntrans-52.6125.9-176.4-3237.9000114.3V185 T187 Y189P183-V185 PolarHBondContact O-N 3.08Å; P183-T187 WeakPolarHBondContact CA-OG1 3.48Å; P183-Y189 VanDerWaalsContact C-OH 3.29Å; P183-Y189 HydrophobicContact CB-CE1 4.29Å; P183-Y189 WeakPolarHBondContact CB-OH 3.29Å; P183-Y189 PolarHBondContact O-OH 2.93Å
184G69.6Low86.8Confident7 Ų745.7 Ų45.77%0.07225%0.246CC..THydrogen-bonded Turntrans84.3-20.1-177.800000115.7I182 T187 N304I182-G184 PolarHBondContact O-N 3.5Å; G184-T187 CarbonylContact C-O 3.47Å; G184-T187 VanDerWaalsContact C-O 3.26Å; G184-T187 WeakPolarHBondContact CA-O 3.4Å; G184-T187 PolarHBondContact N-O 2.92Å; G184-T187 PolarHBondContact N-OG1 3.2Å; G184-N304 PolarHBondContact O-N 3.04Å
185V77.2Confident87.1Confident3 Ų346 Ų462%0.01825%0.247CC..THydrogen-bonded Turntrans-93.5-52.5-175.5176.20000110L171 I182 P183 L208 T303 N304 V327 I329L171-V185 HydrophobicContact CD2-CG1 4.14Å; I182-V185 HydrophobicContact CB-CB 3.97Å; I182-V185 HydrophobicContact CB-CG2 4.38Å; I182-V185 HydrophobicContact CG2-CB 3.8Å; I182-V185 HydrophobicContact CG2-CG2 3.64Å; I182-V185 PolarHBondContact O-N 2.96Å; P183-V185 PolarHBondContact O-N 3.08Å; V185-L208 HydrophobicContact CG1-CD1 3.8Å; V185-T303 PolarHBondContact O-OG1 3.26Å; V185-N304 HydrophobicContact CG1-CB 4.35Å; V185-N304 CarbonylContact O-C 3.56Å; V185-N304 WeakPolarHBondContact O-CA 3.28Å; V185-N304 WeakPolarHBondContact O-CB 3.4Å; V185-N304 PolarHBondContact O-N 3.37Å; V185-N304 VanDerWaalsContact O-N 3.16Å; V185-V327 HydrophobicContact CG2-CG1 4.09Å; V185-V327 HydrophobicContact CG2-CG2 4.19Å; V185-I329 HydrophobicContact CG1-CD1 4.19Å
186N82.4Confident87.4Confident37 Ų3747.2 Ų47.220%0.19825%0.251CS..THydrogen-bonded Turntrans-117.614.6168.175.8-33.1000113.2F175 V180 Q181 I182F175-N186 HydrophobicContact CD2-CB 3.94Å; V180-N186 PolarHBondContact O-ND2 3.23Å; Q181-N186 WeakPolarHBondContact CA-OD1 3.44Å; I182-N186 PolarHBondContact N-OD1 2.74Å; I182-N186 PolarHBondContact O-N 3.33Å; I182-N186 PolarHBondContact O-OD1 3.05Å
187T85.3Confident87.8Confident27 Ų2739.3 Ų39.317%0.16621%0.214CC..SBendtrans-129150.517076.80000109.6P183 G184 T303P183-T187 WeakPolarHBondContact CA-OG1 3.48Å; G184-T187 CarbonylContact C-O 3.47Å; G184-T187 VanDerWaalsContact C-O 3.26Å; G184-T187 WeakPolarHBondContact CA-O 3.4Å; G184-T187 PolarHBondContact N-O 2.92Å; G184-T187 PolarHBondContact N-OG1 3.2Å; T187-T303 PolarHBondContact O-OG1 3.17Å
188P91.6Very high88.3Confident14 Ų1434 Ų349%0.09119%0.189CC..  trans-75.5139.1-175.129.8-35.1000112.9G152 I164 E301 S302G152-P188 PolarHBondContact N-O 3.29Å; G152-P188 CarbonylContact O-C 3.05Å; G152-P188 WeakPolarHBondContact O-CB 3.35Å; G152-P188 WeakPolarHBondContact O-CG 3.39Å; I164-P188 HydrophobicContact CG2-CB 4.08Å; P188-E301 HydrophobicContact CB-CG 4.01Å; P188-S302 WeakPolarHBondContact CA-O 3.29Å
189Y94.7Very high88.8Confident40 Ų4030.2 Ų30.216%0.15717%0.171CC..EExtended strand (participates in β ladder)trans-108.2137.1164.7-79.1-28.5000111.6N149 V150 N151 P183 Y191 E301 S302N149-Y189 HydrophobicContact CB-CD1 4.38Å; N149-Y189 HydrophobicContact CB-CD2 3.93Å; N149-Y189 HydrophobicContact CB-CE1 4.29Å; N149-Y189 HydrophobicContact CB-CE2 3.83Å; N149-Y189 HydrophobicContact CB-CG 4.24Å; N149-Y189 WeakPolarHBondContact O-CE1 3.45Å; V150-Y189 WeakPolarHBondContact O-CA 3.46Å; N151-Y189 WeakPolarHBondContact OD1-CE1 3.49Å; P183-Y189 VanDerWaalsContact C-OH 3.29Å; P183-Y189 HydrophobicContact CB-CE1 4.29Å; P183-Y189 WeakPolarHBondContact CB-OH 3.29Å; P183-Y189 PolarHBondContact O-OH 2.93Å; Y189-Y191 WeakPolarHBondContact O-CD2 3.43Å; Y189-Y191 WeakPolarHBondContact O-CE2 3.48Å; Y189-E301 CarbonylContact O-C 3.54Å; Y189-E301 WeakPolarHBondContact O-CA 3.04Å; Y189-S302 PolarHBondContact N-O 3.29Å; Y189-S302 PolarHBondContact O-N 3.45Å
190L97Very high89.4Confident3 Ų327.2 Ų27.22%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-92.2142.9168.1-59.4179.4000111.1V150 G152 L154 Y192 A300 E301V150-L190 HydrophobicContact CB-CB 4.32Å; V150-L190 PolarHBondContact N-O 3.06Å; V150-L190 PolarHBondContact O-N 3.19Å; G152-L190 WeakPolarHBondContact O-CG 3.4Å; L154-L190 HydrophobicContact CD2-CD1 3.91Å; L154-L190 HydrophobicContact CG-CD1 4.06Å; L154-L190 HydrophobicContact CG-CD2 3.85Å; L190-Y192 HydrophobicContact CB-CE2 3.96Å; L190-A300 CarbonylContact C-O 3.58Å; L190-A300 WeakPolarHBondContact CA-O 3.13Å; L190-E301 HydrophobicContact CD2-CB 3.74Å; L190-E301 HydrophobicContact CD2-CG 3.81Å
191Y97.8Very high90.3Very high41 Ų4124.7 Ų24.716%0.16112%0.124CC..EExtended strand (participates in β ladder)trans-130101.4-177.2-66.5-88.4000110.5Y146 G147 A148 N149 Y189 G193 I299 A300Y146-Y191 HydrophobicContact CE1-CD1 4.32Å; Y146-Y191 AromaticContact CZ-CD1 3.92Å; Y146-Y191 WeakPolarHBondContact OH-CD1 3.48Å; G147-Y191 CarbonylContact O-C 3.58Å; G147-Y191 VanDerWaalsContact O-CA 3.28Å; G147-Y191 WeakPolarHBondContact O-CA 3.41Å; A148-Y191 HydrophobicContact CB-CD1 3.92Å; A148-Y191 HydrophobicContact CB-CE1 4.03Å; N149-Y191 VanDerWaalsContact OD1-CE1 3.26Å; N149-Y191 WeakPolarHBondContact OD1-CE1 3.02Å; N149-Y191 PolarHBondContact OD1-OH 2.99Å; Y189-Y191 WeakPolarHBondContact O-CD2 3.43Å; Y189-Y191 WeakPolarHBondContact O-CE2 3.48Å; Y191-G193 PolarHBondContact O-N 3.49Å; Y191-I299 WeakPolarHBondContact O-CA 3.22Å; Y191-A300 PolarHBondContact N-O 3.02Å; Y191-A300 PolarHBondContact O-N 3.31Å
192Y98.1Very high91.3Very high4 Ų417.6 Ų17.62%0.0169%0.091CC..EExtended strand (participates in β ladder)trans-87.5102.3177-56-91.9000109.6V81 F108 F111 Y146 G147 V150 L190 N298 I299V81-Y192 HydrophobicContact CB-CD2 4.38Å; V81-Y192 HydrophobicContact CG1-CD2 3.87Å; V81-Y192 HydrophobicContact CG1-CE2 4.44Å; V81-Y192 HydrophobicContact CG1-CG 4.26Å; V81-Y192 HydrophobicContact CG2-CD1 4.01Å; V81-Y192 HydrophobicContact CG2-CD2 3.91Å; V81-Y192 HydrophobicContact CG2-CE1 4.15Å; V81-Y192 HydrophobicContact CG2-CE2 4.07Å; V81-Y192 HydrophobicContact CG2-CG 3.88Å; F108-Y192 HydrophobicContact CB-CE1 4.49Å; F108-Y192 AromaticContact CD2-CD1 3.39Å; F108-Y192 HydrophobicContact CD2-CD1 3.39Å; F108-Y192 AromaticContact CD2-CE1 3.68Å; F108-Y192 HydrophobicContact CD2-CE1 3.68Å; F108-Y192 HydrophobicContact CD2-CG 4.48Å; F108-Y192 AromaticContact CE2-CD1 3.75Å; F108-Y192 HydrophobicContact CE2-CD1 3.75Å; F108-Y192 HydrophobicContact CE2-CE1 4.3Å; F108-Y192 HydrophobicContact CG-CD1 4.42Å; F108-Y192 HydrophobicContact CG-CE1 4.3Å; F111-Y192 WeakPolarHBondContact CZ-O 3.41Å; Y146-Y192 WeakPolarHBondContact CD2-O 3.22Å; G147-Y192 PolarHBondContact N-O 2.95Å; G147-Y192 WeakPolarHBondContact O-CD2 3.38Å; G147-Y192 PolarHBondContact O-N 2.92Å; V150-Y192 HydrophobicContact CB-CE2 4.02Å; V150-Y192 HydrophobicContact CG1-CE2 4.15Å; V150-Y192 HydrophobicContact CG2-CD2 4.11Å; V150-Y192 HydrophobicContact CG2-CE2 3.96Å; L190-Y192 HydrophobicContact CB-CE2 3.96Å; Y192-N298 CarbonylContact C-O 3.52Å; Y192-N298 WeakPolarHBondContact CA-O 3.43Å; Y192-I299 HydrophobicContact CD1-CD1 3.91Å; Y192-I299 HydrophobicContact CD1-CG1 3.78Å; Y192-I299 HydrophobicContact CD1-CG2 4.15Å; Y192-I299 HydrophobicContact CE1-CD1 3.85Å; Y192-I299 HydrophobicContact CE1-CG1 4.18Å; Y192-I299 HydrophobicContact CE1-CG2 4.16Å
193G97.8Very high92.2Very high0 Ų016.2 Ų16.20%08%0.084CC..EExtended strand (participates in β ladder)trans-92.2157.7-177.900000114.2Y191 S197 G296 L297 N298Y191-G193 PolarHBondContact O-N 3.49Å; G193-S197 WeakPolarHBondContact CA-OG 3.49Å; G193-G296 CarbonylContact C-O 3.37Å; G193-L297 VanDerWaalsContact O-CA 3.32Å; G193-L297 WeakPolarHBondContact O-CA 3.37Å; G193-N298 VanDerWaalsContact CA-OD1 3.23Å; G193-N298 WeakPolarHBondContact CA-OD1 3.36Å; G193-N298 PolarHBondContact N-O 3.19Å; G193-N298 PolarHBondContact N-OD1 3.09Å; G193-N298 PolarHBondContact O-N 3.27Å; G193-N298 VanDerWaalsContact O-N 3.08Å
194M97.4Very high93.2Very high0 Ų013.8 Ų13.80%07%0.067CC..  trans-141175.5166.170.7176.856.100109.6F111 I114 A115 Y120 P144 L145 R196 S197 N294 G296F111-M194 HydrophobicContact CD2-CE 4.34Å; F111-M194 HydrophobicContact CE1-CE 3.98Å; F111-M194 HydrophobicContact CE2-CE 3.74Å; F111-M194 HydrophobicContact CZ-CB 4.5Å; F111-M194 HydrophobicContact CZ-CE 3.51Å; I114-M194 HydrophobicContact CG2-CE 4.01Å; A115-M194 HydrophobicContact CB-CB 3.73Å; A115-M194 HydrophobicContact CB-CE 4.03Å; Y120-M194 HydrophobicContact CD1-SD 3.92Å; Y120-M194 HydrophobicContact CG-SD 4.02Å; P144-M194 HydrophobicContact CB-CG 4.25Å; P144-M194 HydrophobicContact CB-SD 4.37Å; L145-M194 HydrophobicContact CB-CE 3.69Å; L145-M194 HydrophobicContact CB-SD 4.07Å; L145-M194 PolarHBondContact N-SD 3.36Å; L145-M194 WeakPolarHBondContact O-CE 3.48Å; L145-M194 VanDerWaalsContact O-CG 3.24Å; L145-M194 WeakPolarHBondContact O-CG 3.23Å; M194-R196 PolarHBondContact O-N 3.21Å; M194-S197 PolarHBondContact N-OG 3.23Å; M194-S197 VanDerWaalsContact N-OG 3.14Å; M194-S197 PolarHBondContact O-N 3.21Å; M194-S197 PolarHBondContact O-OG 3.15Å; M194-N294 WeakPolarHBondContact O-CB 3.33Å; M194-G296 CarbonylContact C-O 3.42Å; M194-G296 WeakPolarHBondContact CA-O 3.45Å
195W97.7Very high94.2Very high8 Ų815 Ų153%0.037%0.071CC..THydrogen-bonded Turntrans-54.5127.8179.1170.6-124.3000112.1Y120 P123 L131 K134 S197 F293Y120-W195 WeakPolarHBondContact O-CB 3.41Å; P123-W195 VanDerWaalsContact CD-CD1 3.47Å; P123-W195 HydrophobicContact CG-CZ2 3.86Å; L131-W195 HydrophobicContact CD1-CE3 4.1Å; L131-W195 HydrophobicContact CD1-CH2 3.37Å; L131-W195 HydrophobicContact CD1-CZ2 3.89Å; L131-W195 HydrophobicContact CD1-CZ3 3.5Å; L131-W195 VanDerWaalsContact CD1-CZ3 3.5Å; L131-W195 HydrophobicContact CD2-CZ3 4Å; L131-W195 HydrophobicContact CG-CE3 4.35Å; L131-W195 HydrophobicContact CG-CH2 3.67Å; L131-W195 HydrophobicContact CG-CZ3 3.5Å; L131-W195 WeakPolarHBondContact O-CH2 3.15Å; K134-W195 HydrophobicContact CB-CZ2 4.24Å; W195-S197 VanDerWaalsContact C-N 3.26Å; W195-S197 PolarHBondContact O-N 2.94Å; W195-F293 HydrophobicContact CZ3-CD2 4.15Å; W195-F293 AromaticContact CZ3-CE2 3.94Å; W195-F293 HydrophobicContact CZ3-CE2 3.94Å
196R95.9Very high94.9Very high38 Ų3815.2 Ų15.214%0.1437%0.072CC..THydrogen-bonded Turntrans70.5-0.3-175.3-55.4173.6-76.1-176.31.9115.8Y135 S138 S142 P144 M194 T198 N294Y135-R196 HydrophobicContact CD2-CB 4.36Å; Y135-R196 HydrophobicContact CD2-CG 4.19Å; S138-R196 WeakPolarHBondContact OG-CD 3.34Å; S138-R196 PolarHBondContact OG-NH1 3.28Å; S142-R196 PolarHBondContact OG-NE 3.05Å; S142-R196 PolarHBondContact OG-NH1 2.95Å; S142-R196 PolarHBondContact OG-NH2 3.3Å; P144-R196 HydrophobicContact CB-CB 4.47Å; P144-R196 HydrophobicContact CG-CB 4.19Å; P144-R196 WeakPolarHBondContact CG-O 3.46Å; M194-R196 PolarHBondContact O-N 3.21Å; R196-T198 PolarHBondContact O-N 2.83Å; R196-T198 PolarHBondContact O-OG1 3.49Å; R196-N294 PolarHBondContact N-O 2.87Å
197S97.2Very high95.5Very high0 Ų013.4 Ų13.40%06%0.063CC..  trans-66.8133170.478.20000109.7Q87 Y146 G193 M194 W195 F293 N294Q87-S197 VanDerWaalsContact OE1-CA 3.29Å; Y146-S197 VanDerWaalsContact CD2-OG 3.23Å; Y146-S197 WeakPolarHBondContact CD2-OG 3.38Å; G193-S197 WeakPolarHBondContact CA-OG 3.49Å; M194-S197 PolarHBondContact N-OG 3.23Å; M194-S197 VanDerWaalsContact N-OG 3.14Å; M194-S197 PolarHBondContact O-N 3.21Å; M194-S197 PolarHBondContact O-OG 3.15Å; W195-S197 VanDerWaalsContact C-N 3.26Å; W195-S197 PolarHBondContact O-N 2.94Å; S197-F293 CarbonylContact O-C 3.52Å; S197-F293 WeakPolarHBondContact O-CA 3.33Å; S197-N294 PolarHBondContact O-N 3.41Å; S197-N294 PolarHBondContact O-ND2 3.24Å; S197-N294 PolarHBondContact OG-ND2 3.01Å
198T97.4Very high96Very high1 Ų112.1 Ų12.11%0.0066%0.055CC..EExtended strand (participates in β ladder)trans-132.2145.2-153.3-66.30000111.3Q87 Y135 R196 L258 G292Q87-T198 PolarHBondContact NE2-O 3.2Å; Y135-T198 WeakPolarHBondContact CE2-OG1 3.4Å; Y135-T198 VanDerWaalsContact OH-CG2 3.31Å; Y135-T198 WeakPolarHBondContact OH-CG2 3.33Å; Y135-T198 PolarHBondContact OH-OG1 3.26Å; R196-T198 PolarHBondContact O-N 2.83Å; R196-T198 PolarHBondContact O-OG1 3.49Å; T198-L258 HydrophobicContact CG2-CD1 3.92Å; T198-L258 HydrophobicContact CG2-CD2 3.41Å; T198-L258 VanDerWaalsContact CG2-CD2 3.41Å; T198-L258 HydrophobicContact CG2-CG 4.28Å; T198-G292 WeakPolarHBondContact CA-O 3.32Å; T198-G292 WeakPolarHBondContact CG2-O 3.4Å
199F97.3Very high96.3Very high23 Ų2311.5 Ų11.510%0.1015%0.051CC..EExtended strand (participates in β ladder)trans-114.4111.1167.252.2-77.6000109.2K220 W222 S291 G292F199-K220 HydrophobicContact CE1-CD 3.7Å; F199-K220 HydrophobicContact CE1-CG 3.74Å; F199-K220 HydrophobicContact CZ-CD 4.06Å; F199-K220 HydrophobicContact CZ-CG 4.22Å; F199-W222 HydrophobicContact CE2-CD2 4.1Å; F199-W222 AromaticContact CE2-CE3 3.67Å; F199-W222 HydrophobicContact CE2-CE3 3.67Å; F199-W222 HydrophobicContact CE2-CH2 4.5Å; F199-W222 AromaticContact CE2-CZ3 3.89Å; F199-W222 HydrophobicContact CE2-CZ3 3.89Å; F199-W222 AromaticContact CZ-CD2 3.75Å; F199-W222 HydrophobicContact CZ-CD2 3.75Å; F199-W222 AromaticContact CZ-CE3 3.83Å; F199-W222 HydrophobicContact CZ-CE3 3.83Å; F199-W222 HydrophobicContact CZ-CG 4.17Å; F199-W222 HydrophobicContact CZ-CZ3 4.23Å; F199-S291 WeakPolarHBondContact CE2-O 3.49Å; F199-S291 CarbonylContact O-C 3.55Å; F199-S291 VanDerWaalsContact O-CA 3.3Å; F199-S291 WeakPolarHBondContact O-CA 3.21Å; F199-S291 WeakPolarHBondContact O-CB 3.49Å; F199-S291 PolarHBondContact O-OG 3.28Å; F199-G292 VanDerWaalsContact CD1-C 3.47Å; F199-G292 VanDerWaalsContact CD1-O 3.31Å; F199-G292 WeakPolarHBondContact CD1-O 3.22Å; F199-G292 VanDerWaalsContact CE1-CA 3.48Å; F199-G292 VanDerWaalsContact CE2-N 3.31Å; F199-G292 PolarHBondContact N-O 3.07Å; F199-G292 PolarHBondContact O-N 2.84Å
200P97.1Very high96.5Very high6 Ų69.8 Ų9.84%0.0395%0.045CC..EExtended strand (participates in β ladder)trans-66.1172.2-177.4-28.341.2000114.5Q98 H202 K255 V257 L258Q98-P200 HydrophobicContact CB-CG 4.19Å; P200-H202 PolarHBondContact O-N 3.18Å; P200-H202 PolarHBondContact O-ND1 3.14Å; P200-K255 WeakPolarHBondContact CB-O 3.44Å; P200-K255 WeakPolarHBondContact CD-O 3.4Å; P200-K255 WeakPolarHBondContact CG-O 3.23Å; P200-V257 WeakPolarHBondContact CB-O 3.3Å; P200-L258 HydrophobicContact CB-CD2 3.88Å; P200-L258 HydrophobicContact CB-CG 4.06Å; P200-L258 HydrophobicContact CG-CD2 3.98Å; P200-L258 HydrophobicContact CG-CG 4.05Å
201W97.7Very high96.5Very high0 Ų09.6 Ų9.60%04%0.044CC..EExtended strand (participates in β ladder)trans-63.8120.4-178.6-74.6107.8000111.5I225 F233 V257 I259 L264 T271 Y289 H290 S291W201-I225 HydrophobicContact CD2-CD1 4.32Å; W201-I225 HydrophobicContact CE3-CD1 3.88Å; W201-I225 HydrophobicContact CE3-CG1 4.34Å; W201-I225 HydrophobicContact CH2-CD1 3.94Å; W201-I225 HydrophobicContact CH2-CG1 3.73Å; W201-I225 HydrophobicContact CZ2-CD1 4.38Å; W201-I225 HydrophobicContact CZ3-CB 4.46Å; W201-I225 HydrophobicContact CZ3-CD1 3.67Å; W201-I225 HydrophobicContact CZ3-CG1 3.63Å; W201-F233 HydrophobicContact CB-CE1 4.12Å; W201-F233 HydrophobicContact CB-CZ 3.56Å; W201-F233 HydrophobicContact CD2-CE2 4.45Å; W201-F233 HydrophobicContact CD2-CZ 4.17Å; W201-F233 HydrophobicContact CG-CE2 4.22Å; W201-F233 AromaticContact CG-CZ 3.68Å; W201-F233 HydrophobicContact CG-CZ 3.68Å; W201-V257 PolarHBondContact N-O 3.46Å; W201-I259 PolarHBondContact NE1-O 2.97Å; W201-L264 HydrophobicContact CH2-CD1 4.2Å; W201-L264 HydrophobicContact CZ2-CD1 3.46Å; W201-L264 VanDerWaalsContact CZ2-CD1 3.46Å; W201-T271 HydrophobicContact CH2-CG2 3.94Å; W201-T271 HydrophobicContact CZ2-CG2 4.16Å; W201-Y289 WeakPolarHBondContact CZ3-O 3.35Å; W201-H290 WeakPolarHBondContact CA-O 3.4Å; W201-H290 VanDerWaalsContact CE3-C 3.47Å; W201-S291 VanDerWaalsContact CD2-CB 3.4Å; W201-S291 PolarHBondContact N-OG 3.44Å
202H96.3Very high96.6Very high13 Ų138 Ų86%0.064%0.038CC..EExtended strand (participates in β ladder)trans-155.2169.2175.566.6-68.9000111.9P200 E204 K255 Y289 H290P200-H202 PolarHBondContact O-N 3.18Å; P200-H202 PolarHBondContact O-ND1 3.14Å; H202-E204 IonicContact CD2-OE1 3.86Å; H202-E204 PolarHBondContact CD2-OE1 3.38Å; H202-E204 IonicContact NE2-OE1 2.77Å; H202-E204 PolarHBondContact NE2-OE1 3.45Å; H202-K255 HydrophobicContact CB-CD 4.38Å; H202-K255 HydrophobicContact CB-CG 3.99Å; H202-K255 WeakPolarHBondContact CD2-CE 3.43Å; H202-K255 PolarHBondContact CD2-NZ 3.36Å; H202-K255 PolarHBondContact NE2-NZ 2.85Å; H202-Y289 WeakPolarHBondContact O-CA 3.47Å; H202-H290 AromaticContact CE1-NE2 3.49Å; H202-H290 PolarHBondContact CE1-NE2 3.05Å; H202-H290 PolarHBondContact N-O 2.83Å; H202-H290 VanDerWaalsContact N-O 3.12Å; H202-H290 AromaticContact NE2-NE2 3.67Å; H202-H290 PolarHBondContact O-N 2.99Å; H202-H290 PolarHBondContact O-ND1 2.86Å
203V96.3Very high96.6Very high5 Ų58.4 Ų8.43%0.034%0.04CC..  trans-109.7160.8159.1-67.30000107.9D207 Y289V203-D207 VanDerWaalsContact CG2-OD1 3.31Å; V203-D207 WeakPolarHBondContact CG2-OD1 3.46Å; V203-Y289 HydrophobicContact CG1-CD1 3.89Å; V203-Y289 HydrophobicContact CG1-CD2 3.75Å; V203-Y289 HydrophobicContact CG1-CE1 3.97Å; V203-Y289 HydrophobicContact CG1-CE2 3.84Å; V203-Y289 HydrophobicContact CG1-CG 3.78Å; V203-Y289 HydrophobicContact CG2-CE1 4.47Å
204E95Very high96.6Very high20 Ų208.4 Ų8.49%0.0934%0.04CC..  trans-66.2161.6-179.6-63.5-5596.600113.1H202 V206 D207 L208 S210 R253 H290 N304H202-E204 IonicContact CD2-OE1 3.86Å; H202-E204 PolarHBondContact CD2-OE1 3.38Å; H202-E204 IonicContact NE2-OE1 2.77Å; H202-E204 PolarHBondContact NE2-OE1 3.45Å; E204-V206 PolarHBondContact O-N 3.45Å; E204-D207 WeakPolarHBondContact O-CA 3.49Å; E204-D207 PolarHBondContact O-N 2.65Å; E204-L208 HydrophobicContact CB-CB 4.24Å; E204-L208 WeakPolarHBondContact CB-O 3.32Å; E204-S210 WeakPolarHBondContact OE2-CB 3.38Å; E204-R253 PolarHBondContact O-NH1 2.94Å; E204-H290 IonicContact OE1-CE1 3.63Å; E204-H290 PolarHBondContact OE1-CE1 3.49Å; E204-H290 IonicContact OE1-NE2 3.49Å; E204-N304 WeakPolarHBondContact CG-ND2 3.47Å; E204-N304 PolarHBondContact OE2-ND2 2.81Å
205D90.1Very high96.6Very high32 Ų328.4 Ų8.417%0.1714%0.04CC..G310 helixtrans-62133.2177.3-72.4-59.3000110.9D207 L208 V327D205-D207 PolarHBondContact O-N 3.22Å; D205-D207 VanDerWaalsContact O-N 3.07Å; D205-L208 WeakPolarHBondContact O-CB 3.35Å; D205-L208 WeakPolarHBondContact O-CD1 3.23Å; D205-L208 WeakPolarHBondContact O-CG 3.43Å; D205-L208 PolarHBondContact O-N 2.89Å; D205-V327 HydrophobicContact CB-CB 3.94Å; D205-V327 HydrophobicContact CB-CG1 4.04Å; D205-V327 HydrophobicContact CB-CG2 4.28Å
206V91.9Very high96.5Very high7 Ų711.5 Ų11.54%0.0425%0.052CC..G310 helixtrans52.427.8-171.4-157.60000112.8E204 L208 W310 A317 V327 I329E204-V206 PolarHBondContact O-N 3.45Å; V206-L208 PolarHBondContact O-N 3.33Å; V206-W310 HydrophobicContact CB-CZ2 4.48Å; V206-W310 HydrophobicContact CG1-CZ2 4.07Å; V206-W310 PolarHBondContact O-NE1 2.81Å; V206-A317 HydrophobicContact CB-CB 4.41Å; V206-A317 HydrophobicContact CG1-CB 3.75Å; V206-V327 HydrophobicContact CG2-CG1 4.27Å; V206-I329 HydrophobicContact CB-CD1 4.09Å; V206-I329 HydrophobicContact CB-CG1 4.47Å; V206-I329 HydrophobicContact CG1-CB 4.34Å; V206-I329 HydrophobicContact CG2-CB 4.04Å; V206-I329 HydrophobicContact CG2-CD1 3.81Å; V206-I329 HydrophobicContact CG2-CG1 3.77Å
207D95.1Very high96.6Very high0 Ų010.8 Ų10.80%06%0.056CC..G310 helixtrans56.133.1178.1-51.9-33.5000113.7V203 E204 D205 R253 P286 Y287 W310 A317V203-D207 VanDerWaalsContact CG2-OD1 3.31Å; V203-D207 WeakPolarHBondContact CG2-OD1 3.46Å; E204-D207 WeakPolarHBondContact O-CA 3.49Å; E204-D207 PolarHBondContact O-N 2.65Å; D205-D207 PolarHBondContact O-N 3.22Å; D205-D207 VanDerWaalsContact O-N 3.07Å; D207-R253 IonicContact OD1-CZ 2.71Å; D207-R253 IonicContact OD1-NH1 3.39Å; D207-R253 PolarHBondContact OD1-NH1 3.32Å; D207-R253 VanDerWaalsContact OD1-NH1 3.08Å; D207-R253 IonicContact OD1-NH2 3.73Å; D207-R253 PolarHBondContact OD1-NH2 3.29Å; D207-R253 IonicContact OD2-NH2 3.34Å; D207-R253 PolarHBondContact OD2-NH2 3.12Å; D207-P286 VanDerWaalsContact O-CA 3.26Å; D207-P286 WeakPolarHBondContact O-CA 3.35Å; D207-P286 VanDerWaalsContact O-CB 3.22Å; D207-P286 WeakPolarHBondContact O-CB 3.35Å; D207-Y287 HydrophobicContact CB-CD2 4.03Å; D207-Y287 WeakPolarHBondContact OD2-CD2 3.45Å; D207-Y287 WeakPolarHBondContact OD2-CE2 3.34Å; D207-W310 VanDerWaalsContact O-CD1 3.3Å; D207-A317 WeakPolarHBondContact OD2-CA 3.37Å; D207-A317 WeakPolarHBondContact OD2-CB 3.38Å
208L96.9Very high96.6Very high0 Ų014.2 Ų14.20%07%0.071CC..  trans-62.9173.1176.1-78.6165.7000113.6L171 V185 E204 D205 V206 N304 F305 A306 W310 I329L171-L208 HydrophobicContact CD1-CD2 4.32Å; L171-L208 HydrophobicContact CD2-CD1 4.1Å; L171-L208 HydrophobicContact CD2-CD2 4.22Å; V185-L208 HydrophobicContact CG1-CD1 3.8Å; E204-L208 HydrophobicContact CB-CB 4.24Å; E204-L208 WeakPolarHBondContact CB-O 3.32Å; D205-L208 WeakPolarHBondContact O-CB 3.35Å; D205-L208 WeakPolarHBondContact O-CD1 3.23Å; D205-L208 WeakPolarHBondContact O-CG 3.43Å; D205-L208 PolarHBondContact O-N 2.89Å; V206-L208 PolarHBondContact O-N 3.33Å; L208-N304 HydrophobicContact CB-CB 4.04Å; L208-N304 HydrophobicContact CD1-CB 3.77Å; L208-N304 HydrophobicContact CG-CB 4.46Å; L208-F305 WeakPolarHBondContact CD2-O 3.48Å; L208-A306 HydrophobicContact CD2-CB 3.9Å; L208-W310 HydrophobicContact CD2-CD2 3.67Å; L208-W310 HydrophobicContact CD2-CE3 4.3Å; L208-W310 HydrophobicContact CD2-CG 4Å; L208-W310 HydrophobicContact CD2-CH2 4.29Å; L208-W310 HydrophobicContact CD2-CZ2 3.68Å; L208-W310 HydrophobicContact CG-CZ2 4.14Å; L208-I329 HydrophobicContact CD1-CD1 3.8Å
209Y98.2Very high96.7Very high0 Ų014.6 Ų14.60%07%0.074CC..EExtended strand (participates in β ladder)trans-78.2157.1159.4-58.9-110.5000109.1E48 T284 F285 P286 N304 F305 L307 R309 W310E48-Y209 WeakPolarHBondContact OE1-CE1 3.5Å; E48-Y209 PolarHBondContact OE1-OH 3.22Å; E48-Y209 PolarHBondContact OE2-OH 3.05Å; E48-Y209 VanDerWaalsContact OE2-OH 3.06Å; Y209-T284 WeakPolarHBondContact CA-O 3.37Å; Y209-T284 WeakPolarHBondContact CB-O 3.46Å; Y209-F285 HydrophobicContact CD1-CD1 4.07Å; Y209-F285 AromaticContact CE1-CD1 3.66Å; Y209-F285 HydrophobicContact CE1-CD1 3.66Å; Y209-F285 HydrophobicContact CE1-CE1 4.22Å; Y209-P286 HydrophobicContact CD1-CG 4.4Å; Y209-P286 HydrophobicContact CD2-CG 3.65Å; Y209-P286 VanDerWaalsContact CE1-CD 3.43Å; Y209-P286 HydrophobicContact CE1-CG 4.18Å; Y209-P286 HydrophobicContact CE2-CG 3.39Å; Y209-P286 HydrophobicContact CG-CG 4.14Å; Y209-P286 VanDerWaalsContact CZ-CD 3.43Å; Y209-N304 VanDerWaalsContact O-CA 3.24Å; Y209-N304 WeakPolarHBondContact O-CA 3.39Å; Y209-N304 WeakPolarHBondContact O-CB 3.5Å; Y209-N304 PolarHBondContact O-ND2 2.93Å; Y209-F305 VanDerWaalsContact CB-CE1 3.4Å; Y209-F305 WeakPolarHBondContact CB-O 3.13Å; Y209-F305 HydrophobicContact CD1-CE1 4.5Å; Y209-F305 AromaticContact CD1-CE2 3.78Å; Y209-F305 HydrophobicContact CD1-CE2 3.78Å; Y209-F305 AromaticContact CD1-CZ 3.67Å; Y209-F305 HydrophobicContact CD1-CZ 3.67Å; Y209-F305 HydrophobicContact CD2-CD2 4.43Å; Y209-F305 HydrophobicContact CD2-CE2 4.23Å; Y209-F305 WeakPolarHBondContact CD2-O 3.48Å; Y209-F305 HydrophobicContact CG-CD2 4.15Å; Y209-F305 HydrophobicContact CG-CE1 4.24Å; Y209-F305 AromaticContact CG-CE2 3.65Å; Y209-F305 HydrophobicContact CG-CE2 3.65Å; Y209-F305 AromaticContact CG-CZ 3.71Å; Y209-F305 HydrophobicContact CG-CZ 3.71Å; Y209-F305 PolarHBondContact N-O 3.03Å; Y209-F305 VanDerWaalsContact N-O 3.17Å; Y209-F305 PolarHBondContact O-N 2.71Å; Y209-F305 VanDerWaalsContact O-N 3.12Å; Y209-L307 HydrophobicContact CE1-CD1 4.45Å; Y209-L307 HydrophobicContact CE2-CB 4.1Å; Y209-L307 HydrophobicContact CE2-CG 4.41Å; Y209-R309 PolarHBondContact OH-NE 3.07Å; Y209-R309 PolarHBondContact OH-NH2 2.88Å; Y209-W310 HydrophobicContact CD2-CB 4.26Å; Y209-W310 HydrophobicContact CE2-CB 3.79Å
210S97.8Very high96.7Very high4 Ų413.7 Ų13.73%0.0287%0.07CC..EExtended strand (participates in β ladder)trans-126.1152.4158.774.80000111.9E204 I283 T284E204-S210 WeakPolarHBondContact OE2-CB 3.38Å; S210-I283 WeakPolarHBondContact O-CA 3.36Å; S210-T284 WeakPolarHBondContact CB-OG1 3.3Å; S210-T284 PolarHBondContact N-O 3.34Å; S210-T284 PolarHBondContact N-OG1 3.44Å; S210-T284 PolarHBondContact O-N 3.3Å; S210-T284 WeakPolarHBondContact OG-CG2 3.24Å; S210-T284 PolarHBondContact OG-OG1 3.1Å
211I98.3Very high96.8Very high0 Ų013.5 Ų13.50%07%0.068CC..EExtended strand (participates in β ladder)trans-117.5137.9168.2178.6170.4000108.2F40 W162 I164 L167 F281 M282 I283 S302 T303 F305F40-I211 HydrophobicContact CE2-CD1 3.82Å; F40-I211 HydrophobicContact CZ-CD1 4.35Å; W162-I211 HydrophobicContact CE3-CD1 3.97Å; W162-I211 HydrophobicContact CZ3-CD1 4.17Å; I164-I211 HydrophobicContact CG1-CD1 4.41Å; I164-I211 HydrophobicContact CG1-CG2 4.5Å; L167-I211 HydrophobicContact CD1-CD1 4.29Å; L167-I211 HydrophobicContact CD1-CG2 3.49Å; L167-I211 VanDerWaalsContact CD1-CG2 3.49Å; I211-F281 HydrophobicContact CD1-CD1 3.6Å; I211-F281 HydrophobicContact CD1-CE1 3.77Å; I211-F281 HydrophobicContact CG1-CD1 3.72Å; I211-F281 HydrophobicContact CG1-CE1 4.25Å; I211-M282 CarbonylContact C-O 3.17Å; I211-M282 WeakPolarHBondContact CA-O 3.38Å; I211-I283 HydrophobicContact CB-CD1 3.78Å; I211-I283 HydrophobicContact CD1-CD1 3.97Å; I211-I283 HydrophobicContact CG1-CD1 3.66Å; I211-S302 WeakPolarHBondContact O-CA 3.26Å; I211-S302 WeakPolarHBondContact O-CB 3.31Å; I211-S302 PolarHBondContact O-OG 2.97Å; I211-T303 HydrophobicContact CG2-CG2 3.9Å; I211-T303 PolarHBondContact N-O 2.89Å; I211-T303 VanDerWaalsContact N-O 3.09Å; I211-T303 PolarHBondContact O-N 3.3Å; I211-F305 HydrophobicContact CB-CD1 4.19Å; I211-F305 HydrophobicContact CB-CE1 4.02Å; I211-F305 HydrophobicContact CG2-CD1 4.07Å; I211-F305 HydrophobicContact CG2-CE1 4.41Å
212N98.5Very high96.8Very high7 Ų714 Ų144%0.0377%0.07CC..EExtended strand (participates in β ladder)trans-133.6125.7175.9-171.2-92.3000110.1W222 Q276 F281 M282 A300 E301 S302N212-W222 HydrophobicContact CB-CH2 3.87Å; N212-W222 HydrophobicContact CB-CZ2 3.8Å; N212-Q276 PolarHBondContact O-NE2 3.09Å; N212-Q276 PolarHBondContact OD1-NE2 3.17Å; N212-Q276 PolarHBondContact OD1-OE1 3.12Å; N212-F281 CarbonylContact O-C 3.57Å; N212-F281 VanDerWaalsContact O-CA 3.27Å; N212-F281 WeakPolarHBondContact O-CA 3.26Å; N212-M282 HydrophobicContact CB-CB 4.42Å; N212-M282 PolarHBondContact N-O 2.9Å; N212-M282 PolarHBondContact O-N 2.84Å; N212-A300 WeakPolarHBondContact OD1-CB 3.45Å; N212-E301 CarbonylContact C-O 3.58Å; N212-E301 WeakPolarHBondContact CA-O 3.44Å; N212-S302 WeakPolarHBondContact CA-OG 3.28Å; N212-S302 VanDerWaalsContact CB-OG 3.3Å; N212-S302 WeakPolarHBondContact CB-OG 3.3Å; N212-S302 PolarHBondContact ND2-OG 3.33Å
213Y98.5Very high96.9Very high13 Ų1313.4 Ų13.45%0.0517%0.068CC..EExtended strand (participates in β ladder)trans-112.7126.7175-179.8-106.7000110.3W66 M155 H215 G279 F281 A300 E301W66-Y213 HydrophobicContact CH2-CD2 4.32Å; W66-Y213 HydrophobicContact CH2-CE1 4.47Å; W66-Y213 AromaticContact CH2-CE2 3.84Å; W66-Y213 HydrophobicContact CH2-CE2 3.84Å; W66-Y213 AromaticContact CH2-CZ 3.92Å; W66-Y213 HydrophobicContact CZ3-CD2 4.4Å; W66-Y213 AromaticContact CZ3-CE2 3.54Å; W66-Y213 HydrophobicContact CZ3-CE2 3.54Å; W66-Y213 AromaticContact CZ3-CZ 3.67Å; M155-Y213 HydrophobicContact CE-CD1 3.69Å; M155-Y213 HydrophobicContact CE-CE1 4.33Å; M155-Y213 HydrophobicContact CE-CG 3.9Å; Y213-H215 AromaticContact CD1-CD2 3.62Å; Y213-H215 AromaticContact CD1-CE1 3.61Å; Y213-H215 AromaticContact CD1-CG 3.77Å; Y213-H215 AromaticContact CD1-ND1 3.77Å; Y213-H215 AromaticContact CD1-NE2 3.51Å; Y213-H215 HydrophobicContact CE1-CB 4.48Å; Y213-H215 AromaticContact CE1-CE1 3.66Å; Y213-H215 AromaticContact CE1-CG 3.85Å; Y213-H215 AromaticContact CE1-ND1 3.53Å; Y213-H215 PolarHBondContact O-N 3.09Å; Y213-G279 WeakPolarHBondContact CE2-O 3.47Å; Y213-F281 AromaticContact CD2-CD1 3.79Å; Y213-F281 HydrophobicContact CD2-CD1 3.79Å; Y213-F281 AromaticContact CD2-CD2 3.73Å; Y213-F281 HydrophobicContact CD2-CD2 3.73Å; Y213-F281 AromaticContact CD2-CE1 3.66Å; Y213-F281 HydrophobicContact CD2-CE1 3.66Å; Y213-F281 AromaticContact CD2-CE2 3.55Å; Y213-F281 HydrophobicContact CD2-CE2 3.55Å; Y213-F281 AromaticContact CD2-CG 3.85Å; Y213-F281 HydrophobicContact CD2-CG 3.85Å; Y213-F281 AromaticContact CD2-CZ 3.54Å; Y213-F281 HydrophobicContact CD2-CZ 3.54Å; Y213-F281 HydrophobicContact CE2-CD2 4.2Å; Y213-F281 AromaticContact CE2-CE2 3.84Å; Y213-F281 HydrophobicContact CE2-CE2 3.84Å; Y213-F281 HydrophobicContact CE2-CZ 4.1Å; Y213-F281 HydrophobicContact CG-CD1 4.18Å; Y213-F281 AromaticContact CG-CE1 3.9Å; Y213-F281 HydrophobicContact CG-CE1 3.9Å; Y213-F281 HydrophobicContact CG-CZ 4.09Å; Y213-A300 CarbonylContact O-C 3.57Å; Y213-A300 WeakPolarHBondContact O-CA 3.45Å; Y213-A300 WeakPolarHBondContact O-CB 3.49Å; Y213-E301 PolarHBondContact N-O 2.66Å; Y213-E301 PolarHBondContact O-N 3.5Å
214L98.4Very high97.1Very high0 Ų013.1 Ų13.10%07%0.066CC..EExtended strand (participates in β ladder)trans-88.4100.5177.7-165.165.2000109.5Q276 G279 E280 N298 A300L214-Q276 HydrophobicContact CB-CG 3.97Å; L214-Q276 HydrophobicContact CD2-CG 4.34Å; L214-Q276 VanDerWaalsContact CD2-O 3.29Å; L214-Q276 WeakPolarHBondContact CD2-O 3.38Å; L214-G279 PolarHBondContact O-N 3.12Å; L214-E280 PolarHBondContact N-O 3.3Å; L214-N298 HydrophobicContact CD1-CB 4.09Å; L214-A300 HydrophobicContact CD1-CB 3.85Å
215H97.9Very high97.2Very high0 Ų012.2 Ų12.20%06%0.062CC..EExtended strand (participates in β ladder)trans-66.4-46-176.6-87-79.3000113.5Y73 L154 Y213 E278 I299 E301Y73-H215 HydrophobicContact CE1-CB 3.77Å; Y73-H215 AromaticContact CE1-ND1 3.6Å; Y73-H215 WeakPolarHBondContact CE2-O 3.27Å; Y73-H215 AromaticContact CZ-ND1 3.65Å; Y73-H215 WeakPolarHBondContact OH-CA 3.49Å; Y73-H215 WeakPolarHBondContact OH-CB 3.45Å; Y73-H215 PolarHBondContact OH-ND1 2.91Å; Y73-H215 PolarHBondContact OH-O 3.35Å; L154-H215 HydrophobicContact CD1-CB 3.98Å; Y213-H215 AromaticContact CD1-CD2 3.62Å; Y213-H215 AromaticContact CD1-CE1 3.61Å; Y213-H215 AromaticContact CD1-CG 3.77Å; Y213-H215 AromaticContact CD1-ND1 3.77Å; Y213-H215 AromaticContact CD1-NE2 3.51Å; Y213-H215 HydrophobicContact CE1-CB 4.48Å; Y213-H215 AromaticContact CE1-CE1 3.66Å; Y213-H215 AromaticContact CE1-CG 3.85Å; Y213-H215 AromaticContact CE1-ND1 3.53Å; Y213-H215 PolarHBondContact O-N 3.09Å; H215-E278 WeakPolarHBondContact O-CG 3.45Å; H215-I299 WeakPolarHBondContact CB-O 3.4Å; H215-I299 PolarHBondContact N-O 2.94Å; H215-E301 VanDerWaalsContact CD2-CB 3.5Å; H215-E301 WeakPolarHBondContact CD2-CB 3.19Å; H215-E301 WeakPolarHBondContact NE2-CB 3.47Å; H215-E301 IonicContact NE2-OE2 2.86Å; H215-E301 PolarHBondContact NE2-OE2 2.82Å
216Y95.5Very high97.5Very high72 Ų7210.7 Ų10.728%0.2825%0.053SC..EExtended strand (participates in β ladder)trans-152140.5-165.9172.5-101.1000111.5Y73 F108 E278 L297 N298 I299Y73-Y216 HydrophobicContact CD2-CD2 4.1Å; Y73-Y216 HydrophobicContact CG-CD2 4.31Å; F108-Y216 HydrophobicContact CZ-CE1 4.31Å; Y216-E278 WeakPolarHBondContact CA-OE2 3.4Å; Y216-L297 HydrophobicContact CE1-CD2 4.43Å; Y216-N298 CarbonylContact O-C 3.57Å; Y216-N298 WeakPolarHBondContact O-CA 3.25Å; Y216-N298 VanDerWaalsContact O-CB 3.24Å; Y216-N298 WeakPolarHBondContact O-CB 3.4Å; Y216-I299 HydrophobicContact CD1-CD1 4.35Å; Y216-I299 HydrophobicContact CD1-CG1 4.32Å; Y216-I299 PolarHBondContact N-O 3.16Å; Y216-I299 PolarHBondContact O-N 3.17Å
217G96.9Very high97.7Very high23 Ų2310.5 Ų10.524%0.2375%0.053CC..EExtended strand (participates in β ladder)trans95.2-149.5160.400000116E278 L297G217-E278 PolarHBondContact N-OE2 3Å; G217-L297 WeakPolarHBondContact CA-O 3.36Å
218F98Very high97.7Very high73 Ų7311.9 Ų11.932%0.326%0.064SC..SBendtrans-68.2148.9-172.9-83.9-102.2000113.1T122 M295 L297 N298T122-F218 HydrophobicContact CG2-CE1 4.28Å; F218-M295 HydrophobicContact CB-CB 4.35Å; F218-M295 HydrophobicContact CD1-CB 4.5Å; F218-L297 PolarHBondContact N-O 2.87Å; F218-N298 WeakPolarHBondContact O-CB 3.45Å; F218-N298 PolarHBondContact O-ND2 3.4Å
219P98.4Very high97.6Very high8 Ų813.2 Ų13.25%0.0527%0.07CC..  trans-57.1155.6179.5-27.436.5000114.8Y128 Q276 M295Y128-P219 HydrophobicContact CE1-CG 4.29Å; P219-Q276 CarbonylContact C-O 3.59Å; P219-Q276 WeakPolarHBondContact CA-O 3.27Å; P219-Q276 VanDerWaalsContact CB-O 3.26Å; P219-Q276 WeakPolarHBondContact CB-O 3.35Å; P219-M295 HydrophobicContact CB-SD 3.94Å; P219-M295 VanDerWaalsContact O-CB 3.24Å; P219-M295 WeakPolarHBondContact O-CB 3.16Å; P219-M295 WeakPolarHBondContact O-CG 3.35Å; P219-M295 PolarHBondContact O-N 3.34Å
220K98.6Very high97.5Very high4 Ų413.2 Ų13.22%0.0177%0.07CC..EExtended strand (participates in β ladder)trans-105.4124.6169.7-168.1-174.6-49.5-73.30108.5F199 W222 Q276 N294F199-K220 HydrophobicContact CE1-CD 3.7Å; F199-K220 HydrophobicContact CE1-CG 3.74Å; F199-K220 HydrophobicContact CZ-CD 4.06Å; F199-K220 HydrophobicContact CZ-CG 4.22Å; K220-W222 HydrophobicContact CD-CZ2 3.71Å; K220-Q276 HydrophobicContact CB-CB 4.35Å; K220-Q276 PolarHBondContact N-O 3.05Å; K220-Q276 PolarHBondContact O-N 3.18Å; K220-N294 WeakPolarHBondContact CG-OD1 3.39Å; K220-N294 PolarHBondContact NZ-OD1 2.97Å
221C98.5Very high97.2Very high2 Ų217 Ų171%0.0148%0.084CC..EExtended strand (participates in β ladder)trans-86.4130.6173.6-171.40000109.2L275 G292 F293 M295C221-L275 HydrophobicContact CB-CD2 3.79Å; C221-G292 CarbonylContact O-C 3.57Å; C221-G292 WeakPolarHBondContact O-CA 3.31Å; C221-F293 HydrophobicContact CB-CD1 3.9Å; C221-F293 HydrophobicContact CB-CD2 4.48Å; C221-F293 HydrophobicContact CB-CE1 3.46Å; C221-F293 VanDerWaalsContact CB-CE1 3.46Å; C221-F293 HydrophobicContact CB-CE2 4.11Å; C221-F293 HydrophobicContact CB-CG 4.38Å; C221-F293 HydrophobicContact CB-CZ 3.58Å; C221-F293 PolarHBondContact N-O 3.16Å; C221-F293 PolarHBondContact O-N 3.06Å; C221-M295 HydrophobicContact CB-CE 4.16Å
222W98.7Very high96.9Very high10 Ų1021.6 Ų21.64%0.03810%0.104CC..EExtended strand (participates in β ladder)trans-116143.9176.8-64.676.5000110.4L57 F199 N212 K220 K273 I274 M282 T284 H290L57-W222 HydrophobicContact CD1-CE3 4.2Å; L57-W222 HydrophobicContact CD2-CB 3.76Å; L57-W222 HydrophobicContact CD2-CE3 4.34Å; L57-W222 HydrophobicContact CD2-CG 4.37Å; F199-W222 HydrophobicContact CE2-CD2 4.1Å; F199-W222 AromaticContact CE2-CE3 3.67Å; F199-W222 HydrophobicContact CE2-CE3 3.67Å; F199-W222 HydrophobicContact CE2-CH2 4.5Å; F199-W222 AromaticContact CE2-CZ3 3.89Å; F199-W222 HydrophobicContact CE2-CZ3 3.89Å; F199-W222 AromaticContact CZ-CD2 3.75Å; F199-W222 HydrophobicContact CZ-CD2 3.75Å; F199-W222 AromaticContact CZ-CE3 3.83Å; F199-W222 HydrophobicContact CZ-CE3 3.83Å; F199-W222 HydrophobicContact CZ-CG 4.17Å; F199-W222 HydrophobicContact CZ-CZ3 4.23Å; N212-W222 HydrophobicContact CB-CH2 3.87Å; N212-W222 HydrophobicContact CB-CZ2 3.8Å; K220-W222 HydrophobicContact CD-CZ2 3.71Å; W222-K273 CarbonylContact O-C 3.56Å; W222-K273 WeakPolarHBondContact O-CA 3.05Å; W222-I274 HydrophobicContact CB-CG2 4.1Å; W222-I274 PolarHBondContact N-O 2.88Å; W222-I274 PolarHBondContact O-N 3.31Å; W222-M282 HydrophobicContact CD2-CG 4.41Å; W222-M282 HydrophobicContact CG-CE 4.35Å; W222-M282 HydrophobicContact CH2-CB 4.31Å; W222-M282 HydrophobicContact CZ2-CB 3.86Å; W222-M282 HydrophobicContact CZ2-CG 4.04Å; W222-T284 HydrophobicContact CZ3-CG2 3.95Å; W222-H290 AromaticContact CZ3-CD2 3.74Å
223Y98.5Very high96.7Very high1 Ų121.3 Ų21.30%0.00410%0.102CC..EExtended strand (participates in β ladder)trans-119.2145.2165.3-53.6-73.2000108.9E132 W136 P261 K272 K273 H290 S291 F293E132-Y223 WeakPolarHBondContact CG-OH 3.43Å; E132-Y223 WeakPolarHBondContact OE1-CE1 3.31Å; E132-Y223 PolarHBondContact OE1-OH 2.87Å; W136-Y223 AromaticContact CZ2-CE2 3.83Å; W136-Y223 HydrophobicContact CZ2-CE2 3.83Å; W136-Y223 AromaticContact NE1-CZ 3.77Å; W136-Y223 PolarHBondContact NE1-OH 2.87Å; Y223-P261 HydrophobicContact CD1-CG 3.58Å; Y223-P261 HydrophobicContact CE1-CG 3.38Å; Y223-P261 HydrophobicContact CG-CG 4.27Å; Y223-K272 CarbonylContact C-O 3.58Å; Y223-K272 VanDerWaalsContact CA-O 3.3Å; Y223-K272 WeakPolarHBondContact CA-O 3.11Å; Y223-K273 HydrophobicContact CD1-CB 3.65Å; Y223-K273 HydrophobicContact CE1-CB 3.93Å; Y223-K273 HydrophobicContact CE1-CD 4.39Å; Y223-H290 WeakPolarHBondContact O-CA 3.43Å; Y223-H290 WeakPolarHBondContact O-CB 3.48Å; Y223-S291 PolarHBondContact N-O 3.01Å; Y223-S291 PolarHBondContact O-N 3.44Å; Y223-S291 VanDerWaalsContact O-N 3.09Å; Y223-F293 HydrophobicContact CE2-CD1 4.18Å; Y223-F293 HydrophobicContact CE2-CE1 4.16Å; Y223-F293 WeakPolarHBondContact OH-CE1 3.41Å
224V98.5Very high96.4Very high0 Ų022.6 Ų22.60%011%0.109CC..EExtended strand (participates in β ladder)trans-133143.5171.871.70000110.5I27 V55 L57 T271 K272 A288 Y289I27-V224 HydrophobicContact CD1-CG1 3.88Å; I27-V224 HydrophobicContact CG1-CG1 3.94Å; V55-V224 HydrophobicContact CG1-CG1 4.29Å; V55-V224 WeakPolarHBondContact O-CG2 3.45Å; L57-V224 HydrophobicContact CB-CB 3.78Å; L57-V224 HydrophobicContact CB-CG1 3.98Å; L57-V224 HydrophobicContact CB-CG2 3.77Å; L57-V224 HydrophobicContact CD2-CB 4.02Å; L57-V224 HydrophobicContact CD2-CG1 4.44Å; V224-T271 CarbonylContact O-C 3.47Å; V224-T271 VanDerWaalsContact O-CA 3.23Å; V224-T271 WeakPolarHBondContact O-CA 3.24Å; V224-K272 HydrophobicContact CG1-CB 4.05Å; V224-K272 PolarHBondContact N-O 3.44Å; V224-K272 PolarHBondContact O-N 2.95Å; V224-A288 HydrophobicContact CG2-CB 4.29Å; V224-Y289 WeakPolarHBondContact CA-O 3.19Å
225I98Very high95.8Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-101119163.9-64.9163.6000106.5W201 F229 F233 L264 I269 T271 Y289W201-I225 HydrophobicContact CD2-CD1 4.32Å; W201-I225 HydrophobicContact CE3-CD1 3.88Å; W201-I225 HydrophobicContact CE3-CG1 4.34Å; W201-I225 HydrophobicContact CH2-CD1 3.94Å; W201-I225 HydrophobicContact CH2-CG1 3.73Å; W201-I225 HydrophobicContact CZ2-CD1 4.38Å; W201-I225 HydrophobicContact CZ3-CB 4.46Å; W201-I225 HydrophobicContact CZ3-CD1 3.67Å; W201-I225 HydrophobicContact CZ3-CG1 3.63Å; I225-F229 HydrophobicContact CG2-CB 3.81Å; I225-F233 HydrophobicContact CD1-CB 3.92Å; I225-F233 HydrophobicContact CD1-CD1 4.01Å; I225-F233 HydrophobicContact CD1-CD2 3.39Å; I225-F233 HydrophobicContact CD1-CE1 4.39Å; I225-F233 HydrophobicContact CD1-CE2 3.81Å; I225-F233 HydrophobicContact CD1-CG 3.49Å; I225-F233 VanDerWaalsContact CD1-CG 3.49Å; I225-F233 HydrophobicContact CD1-CZ 4.29Å; I225-L264 HydrophobicContact CD1-CD1 4.04Å; I225-L264 HydrophobicContact CG1-CD1 4.48Å; I225-I269 HydrophobicContact CD1-CG2 4.04Å; I225-I269 HydrophobicContact CG1-CG2 4.15Å; I225-I269 HydrophobicContact CG2-CG2 3.97Å; I225-T271 HydrophobicContact CG1-CG2 3.88Å; I225-Y289 PolarHBondContact N-O 2.88Å
226P96.7Very high95.3Very high0 Ų028.8 Ų28.80%015%0.146CC..  trans-55.5139178.3-27.536.4000111.5I24 V55 A228 F229I24-P226 HydrophobicContact CD1-CG 3.96Å; I24-P226 HydrophobicContact CG2-CG 3.88Å; V55-P226 WeakPolarHBondContact O-CA 3.32Å; P226-A228 PolarHBondContact O-N 2.83Å; P226-F229 HydrophobicContact CB-CD2 4.37Å; P226-F229 PolarHBondContact O-N 3.21Å
227P96.4Very high94.8Very high4 Ų425.4 Ų25.43%0.02613%0.133CC..G310 helixtrans-52.1-31.7-173-32.237.7000115.1H54 F229 A230 A288 L357 Y360H54-P227 WeakPolarHBondContact O-CD 3.4Å; P227-F229 PolarHBondContact O-N 2.9Å; P227-F229 VanDerWaalsContact O-N 3.08Å; P227-A230 VanDerWaalsContact O-CB 3.31Å; P227-A230 WeakPolarHBondContact O-CB 3.5Å; P227-A230 PolarHBondContact O-N 3.3Å; P227-A288 HydrophobicContact CG-CB 4.3Å; P227-L357 HydrophobicContact CB-CD2 3.64Å; P227-Y360 HydrophobicContact CB-CE2 4.1Å
228A94.7Very high93.9Very high29 Ų2925.3 Ų25.324%0.2413%0.129CC..G310 helixtrans-52.3-28.5172.500000114.5L19 P226 Y360L19-A228 HydrophobicContact CD2-CB 3.97Å; P226-A228 PolarHBondContact O-N 2.83Å; A228-Y360 HydrophobicContact CB-CD1 3.61Å; A228-Y360 HydrophobicContact CB-CE1 4.32Å; A228-Y360 HydrophobicContact CB-CG 3.77Å
229F95.3Very high92.9Very high27 Ų2725.5 Ų25.512%0.11813%0.131CC..G310 helixtrans-104.7-1.3-178.9-64.5-87.6000113.8T18 L19 I24 I225 P226 P227 R231 K232 F233 P270T18-F229 WeakPolarHBondContact O-CE2 3.45Å; L19-F229 WeakPolarHBondContact O-CZ 3.46Å; I24-F229 HydrophobicContact CD1-CD2 4.28Å; I24-F229 HydrophobicContact CD1-CE2 3.63Å; I24-F229 HydrophobicContact CD1-CZ 4.39Å; I225-F229 HydrophobicContact CG2-CB 3.81Å; P226-F229 HydrophobicContact CB-CD2 4.37Å; P226-F229 PolarHBondContact O-N 3.21Å; P227-F229 PolarHBondContact O-N 2.9Å; P227-F229 VanDerWaalsContact O-N 3.08Å; F229-R231 PolarHBondContact O-N 2.8Å; F229-K232 HydrophobicContact CD1-CD 4.4Å; F229-K232 WeakPolarHBondContact O-CA 3.17Å; F229-K232 WeakPolarHBondContact O-CB 3.22Å; F229-K232 PolarHBondContact O-N 2.98Å; F229-F233 PolarHBondContact O-N 3.21Å; F229-P270 VanDerWaalsContact CD1-CD 3.41Å; F229-P270 HydrophobicContact CD1-CG 3.94Å; F229-P270 HydrophobicContact CD2-CG 3.47Å; F229-P270 VanDerWaalsContact CD2-CG 3.47Å; F229-P270 HydrophobicContact CE1-CG 3.91Å; F229-P270 HydrophobicContact CE2-CG 3.45Å; F229-P270 VanDerWaalsContact CE2-CG 3.45Å; F229-P270 VanDerWaalsContact CG-CD 3.5Å; F229-P270 HydrophobicContact CG-CG 3.73Å; F229-P270 HydrophobicContact CZ-CG 3.68Å
230A94.9Very high91.9Very high0 Ų030.7 Ų30.70%015%0.15CC..Hα-helixtrans-54.9-47.9-17600000112.7P227 K232 F233 E234 Y287 Y289 L357P227-A230 VanDerWaalsContact O-CB 3.31Å; P227-A230 WeakPolarHBondContact O-CB 3.5Å; P227-A230 PolarHBondContact O-N 3.3Å; A230-K232 VanDerWaalsContact C-N 3.29Å; A230-K232 PolarHBondContact O-N 3.02Å; A230-F233 WeakPolarHBondContact O-CB 3.35Å; A230-F233 PolarHBondContact O-N 2.95Å; A230-F233 VanDerWaalsContact O-N 3.15Å; A230-E234 WeakPolarHBondContact O-CG 3.45Å; A230-E234 PolarHBondContact O-N 3.47Å; A230-Y287 HydrophobicContact CB-CD1 3.83Å; A230-Y287 HydrophobicContact CB-CE1 4.08Å; A230-Y289 HydrophobicContact CB-CD2 3.87Å; A230-Y289 HydrophobicContact CB-CE2 4.19Å; A230-L357 HydrophobicContact CB-CD1 4.35Å
231R91.7Very high90.8Very high84 Ų8431.6 Ų31.632%0.31715%0.154SC..Hα-helixtrans-65.7-29.5177.9-66.5176.9179.9167.5-3.6113.4F229 S235 L357 D358F229-R231 PolarHBondContact O-N 2.8Å; R231-S235 WeakPolarHBondContact O-CB 3.31Å; R231-S235 PolarHBondContact O-N 3.12Å; R231-L357 HydrophobicContact CG-CD1 4.3Å; R231-D358 IonicContact CZ-OD1 3.42Å; R231-D358 IonicContact NH1-OD1 3.51Å; R231-D358 PolarHBondContact NH1-OD1 2.88Å; R231-D358 IonicContact NH2-OD1 3.33Å; R231-D358 PolarHBondContact NH2-OD1 3.15Å
232K91.5Very high89.5Confident97 Ų9735 Ų3542%0.42217%0.166SC..Hα-helixtrans-71-39.1174.2-171.5179.7179.4178.30110.8F229 A230 F236 S267 G268 I269F229-K232 HydrophobicContact CD1-CD 4.4Å; F229-K232 WeakPolarHBondContact O-CA 3.17Å; F229-K232 WeakPolarHBondContact O-CB 3.22Å; F229-K232 PolarHBondContact O-N 2.98Å; A230-K232 VanDerWaalsContact C-N 3.29Å; A230-K232 PolarHBondContact O-N 3.02Å; K232-F236 WeakPolarHBondContact O-CB 3.31Å; K232-F236 PolarHBondContact O-N 3.34Å; K232-S267 WeakPolarHBondContact CE-O 3.17Å; K232-S267 PolarHBondContact NZ-O 2.77Å; K232-G268 WeakPolarHBondContact CE-O 3.5Å; K232-G268 PolarHBondContact NZ-O 2.92Å; K232-I269 HydrophobicContact CB-CG1 4.41Å; K232-I269 HydrophobicContact CD-CG1 4.02Å; K232-I269 HydrophobicContact CG-CD1 4.49Å; K232-I269 HydrophobicContact CG-CG1 3.9Å
233F95Very high88.4Confident0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-61.2-51.1170.6173.8-107.4000111.6W201 I225 F229 A230 S235 F236 V237 L252 I259 L264 I269 Y289W201-F233 HydrophobicContact CB-CE1 4.12Å; W201-F233 HydrophobicContact CB-CZ 3.56Å; W201-F233 HydrophobicContact CD2-CE2 4.45Å; W201-F233 HydrophobicContact CD2-CZ 4.17Å; W201-F233 HydrophobicContact CG-CE2 4.22Å; W201-F233 AromaticContact CG-CZ 3.68Å; W201-F233 HydrophobicContact CG-CZ 3.68Å; I225-F233 HydrophobicContact CD1-CB 3.92Å; I225-F233 HydrophobicContact CD1-CD1 4.01Å; I225-F233 HydrophobicContact CD1-CD2 3.39Å; I225-F233 HydrophobicContact CD1-CE1 4.39Å; I225-F233 HydrophobicContact CD1-CE2 3.81Å; I225-F233 HydrophobicContact CD1-CG 3.49Å; I225-F233 VanDerWaalsContact CD1-CG 3.49Å; I225-F233 HydrophobicContact CD1-CZ 4.29Å; F229-F233 PolarHBondContact O-N 3.21Å; A230-F233 WeakPolarHBondContact O-CB 3.35Å; A230-F233 PolarHBondContact O-N 2.95Å; A230-F233 VanDerWaalsContact O-N 3.15Å; F233-S235 VanDerWaalsContact C-N 3.31Å; F233-S235 PolarHBondContact O-N 2.71Å; F233-F236 WeakPolarHBondContact O-CB 3.42Å; F233-F236 PolarHBondContact O-N 3.38Å; F233-V237 HydrophobicContact CD1-CG2 4.34Å; F233-V237 HydrophobicContact CD2-CG2 3.77Å; F233-V237 HydrophobicContact CE1-CG2 3.98Å; F233-V237 HydrophobicContact CE2-CG2 3.38Å; F233-V237 HydrophobicContact CG-CG2 4.24Å; F233-V237 HydrophobicContact CZ-CG2 3.49Å; F233-V237 VanDerWaalsContact CZ-CG2 3.49Å; F233-V237 WeakPolarHBondContact O-CG2 3.09Å; F233-V237 PolarHBondContact O-N 2.8Å; F233-L252 HydrophobicContact CD1-CD1 4.34Å; F233-L252 HydrophobicContact CE1-CD1 3.89Å; F233-L252 HydrophobicContact CE1-CD2 3.86Å; F233-L252 HydrophobicContact CZ-CD2 4.08Å; F233-I259 HydrophobicContact CE2-CD1 4.34Å; F233-L264 HydrophobicContact CD2-CD2 3.72Å; F233-L264 HydrophobicContact CE2-CD1 4.47Å; F233-L264 HydrophobicContact CE2-CD2 3.85Å; F233-I269 HydrophobicContact CB-CD1 4.39Å; F233-I269 HydrophobicContact CB-CG2 4.19Å; F233-Y289 AromaticContact CD1-CD1 3.78Å; F233-Y289 HydrophobicContact CD1-CD1 3.78Å; F233-Y289 AromaticContact CD1-CD2 3.84Å; F233-Y289 HydrophobicContact CD1-CD2 3.84Å; F233-Y289 HydrophobicContact CD1-CE1 4.04Å; F233-Y289 HydrophobicContact CD1-CE2 4.08Å; F233-Y289 AromaticContact CD1-CG 3.68Å; F233-Y289 HydrophobicContact CD1-CG 3.68Å; F233-Y289 AromaticContact CE1-CD1 3.44Å; F233-Y289 HydrophobicContact CE1-CD1 3.44Å; F233-Y289 VanDerWaalsContact CE1-CD1 3.44Å; F233-Y289 HydrophobicContact CE1-CD2 4.37Å; F233-Y289 AromaticContact CE1-CE1 3.71Å; F233-Y289 HydrophobicContact CE1-CE1 3.71Å; F233-Y289 AromaticContact CE1-CG 3.81Å; F233-Y289 HydrophobicContact CE1-CG 3.81Å
234E91.7Very high87.6Confident41 Ų4139.8 Ų39.819%0.19220%0.197CC..Hα-helixtrans-55-44.9176.9-70.9177.1163.900112.5A230 F236 V237 S238 L252 Y287 Y289A230-E234 WeakPolarHBondContact O-CG 3.45Å; A230-E234 PolarHBondContact O-N 3.47Å; E234-F236 VanDerWaalsContact C-N 3.34Å; E234-F236 PolarHBondContact O-N 3.47Å; E234-V237 PolarHBondContact O-N 2.86Å; E234-S238 WeakPolarHBondContact O-CB 3.28Å; E234-S238 PolarHBondContact O-N 2.91Å; E234-S238 PolarHBondContact O-OG 3.44Å; E234-L252 HydrophobicContact CG-CD1 4.17Å; E234-Y287 PolarHBondContact OE1-OH 3.1Å; E234-Y289 HydrophobicContact CG-CE2 3.76Å; E234-Y289 WeakPolarHBondContact CG-OH 3.32Å; E234-Y289 WeakPolarHBondContact OE1-CE2 3.49Å; E234-Y289 PolarHBondContact OE1-OH 3.24Å
235S86.5Confident86.5Confident84 Ų8443.3 Ų43.359%0.58721%0.213SC*.Hα-helixtrans-63.3-37.8176.3-173.50000112.9R231 F233 E239R231-S235 WeakPolarHBondContact O-CB 3.31Å; R231-S235 PolarHBondContact O-N 3.12Å; F233-S235 VanDerWaalsContact C-N 3.31Å; F233-S235 PolarHBondContact O-N 2.71Å; S235-E239 WeakPolarHBondContact O-CB 3.07Å; S235-E239 PolarHBondContact O-N 3.06Å
236F88.2Confident85.3Confident46 Ų4646.7 Ų46.720%0.20223%0.23CC..Hα-helixtrans-68.6-45.7177.6172.2-106.6000111.7K232 F233 E234 E239 Y240 I259 V263 L264 S267 I269K232-F236 WeakPolarHBondContact O-CB 3.31Å; K232-F236 PolarHBondContact O-N 3.34Å; F233-F236 WeakPolarHBondContact O-CB 3.42Å; F233-F236 PolarHBondContact O-N 3.38Å; E234-F236 VanDerWaalsContact C-N 3.34Å; E234-F236 PolarHBondContact O-N 3.47Å; F236-E239 PolarHBondContact O-N 2.88Å; F236-Y240 WeakPolarHBondContact O-CB 3.49Å; F236-Y240 PolarHBondContact O-N 2.73Å; F236-I259 HydrophobicContact CD1-CD1 4.21Å; F236-I259 HydrophobicContact CE1-CD1 3.77Å; F236-I259 HydrophobicContact CE1-CG2 4.3Å; F236-V263 HydrophobicContact CE1-CG1 4.41Å; F236-V263 HydrophobicContact CZ-CG1 4.01Å; F236-L264 HydrophobicContact CD1-CD2 4.13Å; F236-L264 HydrophobicContact CE1-CD2 4.06Å; F236-S267 WeakPolarHBondContact CE2-OG 3.45Å; F236-S267 WeakPolarHBondContact CZ-OG 3.15Å; F236-I269 HydrophobicContact CB-CD1 3.6Å; F236-I269 HydrophobicContact CD1-CD1 3.93Å; F236-I269 HydrophobicContact CG-CD1 3.82Å
237V84Confident84.5Confident0 Ų053.7 Ų53.70%026%0.261CS..Hα-helixtrans-70.6-39.4-179.5-172.60000111.5F233 E234 E239 Y240 F241 F251 L252 V257 I259F233-V237 HydrophobicContact CD1-CG2 4.34Å; F233-V237 HydrophobicContact CD2-CG2 3.77Å; F233-V237 HydrophobicContact CE1-CG2 3.98Å; F233-V237 HydrophobicContact CE2-CG2 3.38Å; F233-V237 HydrophobicContact CG-CG2 4.24Å; F233-V237 HydrophobicContact CZ-CG2 3.49Å; F233-V237 VanDerWaalsContact CZ-CG2 3.49Å; F233-V237 WeakPolarHBondContact O-CG2 3.09Å; F233-V237 PolarHBondContact O-N 2.8Å; E234-V237 PolarHBondContact O-N 2.86Å; V237-E239 VanDerWaalsContact C-N 3.27Å; V237-E239 PolarHBondContact O-N 3.39Å; V237-Y240 PolarHBondContact O-N 3.47Å; V237-F241 HydrophobicContact CG1-CD2 3.67Å; V237-F241 HydrophobicContact CG1-CE2 4.24Å; V237-F241 PolarHBondContact O-N 2.86Å; V237-F251 HydrophobicContact CG1-CE2 4.08Å; V237-F251 HydrophobicContact CG1-CZ 3.72Å; V237-L252 HydrophobicContact CB-CD1 4.32Å; V237-L252 HydrophobicContact CG1-CD1 4.44Å; V237-L252 HydrophobicContact CG1-CD2 4.01Å; V237-L252 HydrophobicContact CG1-CG 4.28Å; V237-V257 HydrophobicContact CG1-CB 4.47Å; V237-V257 HydrophobicContact CG1-CG1 3.82Å; V237-V257 HydrophobicContact CG1-CG2 4.11Å; V237-I259 HydrophobicContact CG2-CD1 3.8Å
238S78.6Confident83.8Confident22 Ų2253.7 Ų53.715%0.15426%0.261CS..Hα-helixtrans-64.3-31.7177.6-56.60000112.7E234 R242 F245E234-S238 WeakPolarHBondContact O-CB 3.28Å; E234-S238 PolarHBondContact O-N 2.91Å; E234-S238 PolarHBondContact O-OG 3.44Å; S238-R242 WeakPolarHBondContact O-CA 3.35Å; S238-R242 PolarHBondContact O-N 2.81Å; S238-F245 WeakPolarHBondContact OG-CD2 3.41Å
239E75.6Confident83.1Confident77 Ų7754.8 Ų54.836%0.3628%0.275SS..Hα-helixtrans-78.1-40.1174.9-174.162.9-174.300111.9S235 F236 V237 R242 Q478S235-E239 WeakPolarHBondContact O-CB 3.07Å; S235-E239 PolarHBondContact O-N 3.06Å; F236-E239 PolarHBondContact O-N 2.88Å; V237-E239 VanDerWaalsContact C-N 3.27Å; V237-E239 PolarHBondContact O-N 3.39Å; E239-R242 IonicContact OE2-NH1 3.21Å; E239-R242 PolarHBondContact OE2-NH1 3.06Å; E239-Q478 PolarHBondContact OE1-NE2 2.87Å
240Y77.9Confident82.6Confident116 Ų11654.7 Ų54.746%0.45528%0.278SS..Hα-helixtrans-71.2-43.8179.5-165.7-80.7000112.9I95 F236 V237I95-Y240 HydrophobicContact CB-CE1 4.26Å; I95-Y240 HydrophobicContact CD1-CD2 3.82Å; I95-Y240 HydrophobicContact CD1-CE1 4.13Å; I95-Y240 HydrophobicContact CD1-CE2 3.27Å; I95-Y240 HydrophobicContact CD1-CG 4.44Å; I95-Y240 VanDerWaalsContact CD1-CZ 3.45Å; I95-Y240 HydrophobicContact CG2-CD1 3.88Å; I95-Y240 HydrophobicContact CG2-CE1 3.43Å; I95-Y240 VanDerWaalsContact CG2-CE1 3.43Å; F236-Y240 WeakPolarHBondContact O-CB 3.49Å; F236-Y240 PolarHBondContact O-N 2.73Å; V237-Y240 PolarHBondContact O-N 3.47Å
241F76.6Confident82.3Confident24 Ų2454.9 Ų54.911%0.10528%0.278CS..THydrogen-bonded Turntrans-104.347179.3-63.8-85.4000111.2I95 F97 V237 S243 E244 F245 F251 V257 I259I95-F241 HydrophobicContact CG2-CE2 3.85Å; I95-F241 HydrophobicContact CG2-CZ 3.55Å; F97-F241 HydrophobicContact CB-CE1 4.28Å; F97-F241 HydrophobicContact CD2-CD1 4Å; F97-F241 AromaticContact CD2-CE1 3.83Å; F97-F241 HydrophobicContact CD2-CE1 3.83Å; V237-F241 HydrophobicContact CG1-CD2 3.67Å; V237-F241 HydrophobicContact CG1-CE2 4.24Å; V237-F241 PolarHBondContact O-N 2.86Å; F241-S243 PolarHBondContact O-N 3.17Å; F241-S243 VanDerWaalsContact O-N 3.14Å; F241-E244 PolarHBondContact O-N 2.84Å; F241-F245 PolarHBondContact O-N 2.88Å; F241-F251 HydrophobicContact CB-CE2 3.64Å; F241-F251 HydrophobicContact CB-CZ 3.75Å; F241-F251 HydrophobicContact CG-CE2 4.28Å; F241-V257 HydrophobicContact CD2-CG1 4.35Å; F241-V257 HydrophobicContact CD2-CG2 4.33Å; F241-V257 HydrophobicContact CE2-CG1 3.74Å; F241-V257 HydrophobicContact CE2-CG2 4.29Å; F241-V257 HydrophobicContact CZ-CG1 4.32Å; F241-I259 HydrophobicContact CE2-CD1 4.36Å
242R71.1Confident82.2Confident72 Ų7251.3 Ų51.327%0.27227%0.266SS..Hα-helixtrans-51.7-38.9-175.2-166.7177.9-169.883.6-3.8113.5S238 E239 E244 F245 L246S238-R242 WeakPolarHBondContact O-CA 3.35Å; S238-R242 PolarHBondContact O-N 2.81Å; E239-R242 IonicContact OE2-NH1 3.21Å; E239-R242 PolarHBondContact OE2-NH1 3.06Å; R242-E244 VanDerWaalsContact C-N 3.33Å; R242-E244 PolarHBondContact O-N 3.44Å; R242-F245 PolarHBondContact O-N 2.85Å; R242-L246 HydrophobicContact CG-CD1 4.09Å; R242-L246 HydrophobicContact CG-CG 4.44Å; R242-L246 VanDerWaalsContact O-CG 3.24Å; R242-L246 WeakPolarHBondContact O-CG 3.32Å; R242-L246 PolarHBondContact O-N 2.92Å
243S75.1Confident82.2Confident73 Ų7348.3 Ų48.351%0.5125%0.252SS..Hα-helixtrans-60-39.717760.70000113.2F241 K247F241-S243 PolarHBondContact O-N 3.17Å; F241-S243 VanDerWaalsContact O-N 3.14Å; S243-K247 WeakPolarHBondContact O-CG 3.19Å; S243-K247 PolarHBondContact O-N 2.88Å
244E80.9Confident81.9Confident40 Ų4051.8 Ų51.819%0.18727%0.268CS..Hα-helixtrans-80.6-36.4-179.1-56-43.9113.100111.4F97 F241 R242 L246 K247 C248 F251F97-E244 HydrophobicContact CE2-CG 3.88Å; F97-E244 HydrophobicContact CZ-CG 4.17Å; F241-E244 PolarHBondContact O-N 2.84Å; R242-E244 VanDerWaalsContact C-N 3.33Å; R242-E244 PolarHBondContact O-N 3.44Å; E244-L246 VanDerWaalsContact C-N 3.29Å; E244-L246 PolarHBondContact O-N 3.48Å; E244-K247 VanDerWaalsContact CD-NZ 3.27Å; E244-K247 PolarHBondContact O-N 3.48Å; E244-K247 IonicContact OE1-NZ 2.63Å; E244-K247 PolarHBondContact OE1-NZ 2.86Å; E244-K247 IonicContact OE2-NZ 2.66Å; E244-K247 PolarHBondContact OE2-NZ 3.49Å; E244-C248 PolarHBondContact O-N 3.22Å; E244-F251 HydrophobicContact CB-CB 4.42Å; E244-F251 HydrophobicContact CB-CD2 3.59Å; E244-F251 HydrophobicContact CB-CE2 3.93Å; E244-F251 HydrophobicContact CB-CG 4.01Å
245F75.5Confident82Confident73 Ų7353 Ų5332%0.3227%0.272SS..Hα-helixtrans-58.6-38.8171.8178-108.8000112.7S238 F241 R242 C248 G249 F251S238-F245 WeakPolarHBondContact OG-CD2 3.41Å; F241-F245 PolarHBondContact O-N 2.88Å; R242-F245 PolarHBondContact O-N 2.85Å; F245-C248 CarbonylContact O-C 2.92Å; F245-C248 PolarHBondContact O-N 2.92Å; F245-G249 PolarHBondContact O-N 2.94Å; F245-F251 HydrophobicContact CB-CD1 4.04Å; F245-F251 HydrophobicContact CB-CE1 3.61Å; F245-F251 HydrophobicContact CB-CZ 4.31Å; F245-F251 HydrophobicContact CD2-CD1 4.26Å; F245-F251 AromaticContact CD2-CE1 3.98Å; F245-F251 HydrophobicContact CD2-CE1 3.98Å; F245-F251 HydrophobicContact CG-CE1 4.29Å
246L73.4Confident82.2Confident71 Ų7149.4 Ų49.437%0.37225%0.247SC..Hα-helixtrans-75.9-26.3178.6-63.9175.7000113.5R242 E244 P828R242-L246 HydrophobicContact CG-CD1 4.09Å; R242-L246 HydrophobicContact CG-CG 4.44Å; R242-L246 VanDerWaalsContact O-CG 3.24Å; R242-L246 WeakPolarHBondContact O-CG 3.32Å; R242-L246 PolarHBondContact O-N 2.92Å; E244-L246 VanDerWaalsContact C-N 3.29Å; E244-L246 PolarHBondContact O-N 3.48Å; L246-P828 HydrophobicContact CD1-CB 3.77Å; L246-P828 HydrophobicContact CD1-CG 3.92Å; L246-P828 HydrophobicContact CD2-CG 3.76Å; L246-P828 HydrophobicContact CG-CG 4.49Å
247K80.4Confident82.5Confident148 Ų14847.2 Ų47.264%0.64324%0.237SC*.Hα-helixtrans-73.4-38.7168.5-65.8167.8-168.3167.60112S243 E244S243-K247 WeakPolarHBondContact O-CG 3.19Å; S243-K247 PolarHBondContact O-N 2.88Å; E244-K247 VanDerWaalsContact CD-NZ 3.27Å; E244-K247 PolarHBondContact O-N 3.48Å; E244-K247 IonicContact OE1-NZ 2.63Å; E244-K247 PolarHBondContact OE1-NZ 2.86Å; E244-K247 IonicContact OE2-NZ 2.66Å; E244-K247 PolarHBondContact OE2-NZ 3.49Å
248C81.2Confident83Confident4 Ų447.2 Ų47.23%0.02724%0.237CC..  trans-148.5114.6176.4-173.80000111.2E244 F245 C250 F251 C322E244-C248 PolarHBondContact O-N 3.22Å; F245-C248 CarbonylContact O-C 2.92Å; F245-C248 PolarHBondContact O-N 2.92Å; C248-C250 PolarHBondContact O-N 3.27Å; C248-F251 HydrophobicContact CB-CB 4.16Å; C248-F251 WeakPolarHBondContact O-CB 3.37Å; C248-F251 WeakPolarHBondContact O-CD1 3.43Å; C248-F251 PolarHBondContact O-N 2.93Å; C248-C322 HydrophobicContact CB-CB 4Å
249G80.9Confident83.8Confident52 Ų5246.1 Ų46.154%0.53623%0.23SC..THydrogen-bonded Turntrans-62.6-6.8176.800000115F245F245-G249 PolarHBondContact O-N 2.94Å
250C85Confident84.8Confident25 Ų2542.8 Ų42.817%0.16922%0.215CC..THydrogen-bonded Turntrans-119.823.4175.1-58.40000112.9C248 L252 R253 K318 I319C248-C250 PolarHBondContact O-N 3.27Å; C250-L252 PolarHBondContact O-N 2.71Å; C250-R253 WeakPolarHBondContact O-CB 3.44Å; C250-R253 PolarHBondContact O-N 3.14Å; C250-K318 VanDerWaalsContact SG-CB 3.52Å; C250-I319 PolarHBondContact SG-O 3.37Å; C250-I319 VanDerWaalsContact SG-O 3.37Å
251F87.8Confident85.6Confident3 Ų338.3 Ų38.31%0.01320%0.2CC..G310 helixtrans-57-19.5-17376-71.8000116.1V237 F241 E244 F245 C248 R253 H254 V257V237-F251 HydrophobicContact CG1-CE2 4.08Å; V237-F251 HydrophobicContact CG1-CZ 3.72Å; F241-F251 HydrophobicContact CB-CE2 3.64Å; F241-F251 HydrophobicContact CB-CZ 3.75Å; F241-F251 HydrophobicContact CG-CE2 4.28Å; E244-F251 HydrophobicContact CB-CB 4.42Å; E244-F251 HydrophobicContact CB-CD2 3.59Å; E244-F251 HydrophobicContact CB-CE2 3.93Å; E244-F251 HydrophobicContact CB-CG 4.01Å; F245-F251 HydrophobicContact CB-CD1 4.04Å; F245-F251 HydrophobicContact CB-CE1 3.61Å; F245-F251 HydrophobicContact CB-CZ 4.31Å; F245-F251 HydrophobicContact CD2-CD1 4.26Å; F245-F251 AromaticContact CD2-CE1 3.98Å; F245-F251 HydrophobicContact CD2-CE1 3.98Å; F245-F251 HydrophobicContact CG-CE1 4.29Å; C248-F251 HydrophobicContact CB-CB 4.16Å; C248-F251 WeakPolarHBondContact O-CB 3.37Å; C248-F251 WeakPolarHBondContact O-CD1 3.43Å; C248-F251 PolarHBondContact O-N 2.93Å; F251-R253 PolarHBondContact O-N 3.5Å; F251-H254 WeakPolarHBondContact O-CB 3.16Å; F251-H254 PolarHBondContact O-N 3.35Å; F251-V257 HydrophobicContact CD2-CG2 4.29Å; F251-V257 HydrophobicContact CE2-CG2 3.84Å
252L90.2Very high86.4Confident10 Ų1041.4 Ų41.45%0.05222%0.221CC..G310 helixtrans-56.6-29169.2-84.7166.2000112.4F233 E234 V237 C250 H254 K255 V257 Y289F233-L252 HydrophobicContact CD1-CD1 4.34Å; F233-L252 HydrophobicContact CE1-CD1 3.89Å; F233-L252 HydrophobicContact CE1-CD2 3.86Å; F233-L252 HydrophobicContact CZ-CD2 4.08Å; E234-L252 HydrophobicContact CG-CD1 4.17Å; V237-L252 HydrophobicContact CB-CD1 4.32Å; V237-L252 HydrophobicContact CG1-CD1 4.44Å; V237-L252 HydrophobicContact CG1-CD2 4.01Å; V237-L252 HydrophobicContact CG1-CG 4.28Å; C250-L252 PolarHBondContact O-N 2.71Å; L252-H254 PolarHBondContact O-N 2.91Å; L252-K255 PolarHBondContact O-N 3.06Å; L252-V257 HydrophobicContact CD2-CB 4.02Å; L252-V257 HydrophobicContact CD2-CG1 4.39Å; L252-V257 HydrophobicContact CD2-CG2 4.21Å; L252-Y289 HydrophobicContact CB-CE1 4.2Å; L252-Y289 HydrophobicContact CD1-CE1 3.88Å; L252-Y289 HydrophobicContact CD2-CE1 4.42Å; L252-Y289 HydrophobicContact CG-CE1 4.4Å
253R89.9Confident87.4Confident34 Ų3438.8 Ų38.813%0.12821%0.213CC..G310 helixtrans-67.9-14.2172.3-64-160.2-173.6-79.1-3.1114.3E204 D207 C250 F251 K255 K318E204-R253 PolarHBondContact O-NH1 2.94Å; D207-R253 IonicContact OD1-CZ 2.71Å; D207-R253 IonicContact OD1-NH1 3.39Å; D207-R253 PolarHBondContact OD1-NH1 3.32Å; D207-R253 VanDerWaalsContact OD1-NH1 3.08Å; D207-R253 IonicContact OD1-NH2 3.73Å; D207-R253 PolarHBondContact OD1-NH2 3.29Å; D207-R253 IonicContact OD2-NH2 3.34Å; D207-R253 PolarHBondContact OD2-NH2 3.12Å; C250-R253 WeakPolarHBondContact O-CB 3.44Å; C250-R253 PolarHBondContact O-N 3.14Å; F251-R253 PolarHBondContact O-N 3.5Å; R253-K255 WeakPolarHBondContact O-CG 3.49Å; R253-K255 PolarHBondContact O-N 3.24Å; R253-K255 VanDerWaalsContact O-N 3.16Å; R253-K318 PolarHBondContact NE-O 2.86Å; R253-K318 PolarHBondContact NH2-O 2.58Å
254H89.9Confident88.4Confident72 Ų7235.3 Ų35.333%0.33319%0.189SC..G310 helixtrans-72.4-2173.5-49.9171.5000111.9F251 L252 C256 C322F251-H254 WeakPolarHBondContact O-CB 3.16Å; F251-H254 PolarHBondContact O-N 3.35Å; L252-H254 PolarHBondContact O-N 2.91Å; H254-C256 VanDerWaalsContact C-N 3.29Å; H254-C256 PolarHBondContact O-N 3.49Å; H254-C322 PolarHBondContact NE2-SG 3Å
255K93.1Very high88.9Confident67 Ų6736 Ų3629%0.29120%0.198SC..SBendtrans49.747.2178.4-48.2-164.4-176.4-161.60111.8P200 H202 L252 R253P200-K255 WeakPolarHBondContact CB-O 3.44Å; P200-K255 WeakPolarHBondContact CD-O 3.4Å; P200-K255 WeakPolarHBondContact CG-O 3.23Å; H202-K255 HydrophobicContact CB-CD 4.38Å; H202-K255 HydrophobicContact CB-CG 3.99Å; H202-K255 WeakPolarHBondContact CD2-CE 3.43Å; H202-K255 PolarHBondContact CD2-NZ 3.36Å; H202-K255 PolarHBondContact NE2-NZ 2.85Å; L252-K255 PolarHBondContact O-N 3.06Å; R253-K255 WeakPolarHBondContact O-CG 3.49Å; R253-K255 PolarHBondContact O-N 3.24Å; R253-K255 VanDerWaalsContact O-N 3.16Å
256C91.7Very high89.6Confident8 Ų839.8 Ų39.85%0.05422%0.217CC..  trans-118.6-13.7-174.861.70000115.1F97 Q98 H254F97-C256 CarbonylContact C-O 3.6Å; F97-C256 HydrophobicContact CE1-CB 4.11Å; F97-C256 HydrophobicContact CE2-CB 4.19Å; F97-C256 WeakPolarHBondContact CE2-SG 3.42Å; F97-C256 HydrophobicContact CZ-CB 3.92Å; F97-C256 WeakPolarHBondContact CZ-SG 3.49Å; Q98-C256 PolarHBondContact N-O 2.93Å; Q98-C256 WeakPolarHBondContact O-CB 3.4Å; H254-C256 VanDerWaalsContact C-N 3.29Å; H254-C256 PolarHBondContact O-N 3.49Å
257V93.2Very high90.2Very high0 Ų038.3 Ų38.30%021%0.213CC..EExtended strand (participates in β ladder)trans-93.5124.5-172.9173.10000112.3P200 W201 V237 F241 F251 L252 I259P200-V257 WeakPolarHBondContact CB-O 3.3Å; W201-V257 PolarHBondContact N-O 3.46Å; V237-V257 HydrophobicContact CG1-CB 4.47Å; V237-V257 HydrophobicContact CG1-CG1 3.82Å; V237-V257 HydrophobicContact CG1-CG2 4.11Å; F241-V257 HydrophobicContact CD2-CG1 4.35Å; F241-V257 HydrophobicContact CD2-CG2 4.33Å; F241-V257 HydrophobicContact CE2-CG1 3.74Å; F241-V257 HydrophobicContact CE2-CG2 4.29Å; F241-V257 HydrophobicContact CZ-CG1 4.32Å; F251-V257 HydrophobicContact CD2-CG2 4.29Å; F251-V257 HydrophobicContact CE2-CG2 3.84Å; L252-V257 HydrophobicContact CD2-CB 4.02Å; L252-V257 HydrophobicContact CD2-CG1 4.39Å; L252-V257 HydrophobicContact CD2-CG2 4.21Å; V257-I259 HydrophobicContact CG1-CD1 3.93Å; V257-I259 HydrophobicContact CG1-CG1 3.79Å
258L95.2Very high90.7Very high0 Ų032.1 Ų32.10%019%0.191CC..EExtended strand (participates in β ladder)trans-118.5119.5176.9-72.5170.3000111T89 Y96 Q98 I139 T198 P200T89-L258 HydrophobicContact CG2-CD1 3.79Å; Y96-L258 PolarHBondContact N-O 3.18Å; Y96-L258 PolarHBondContact O-N 3.17Å; Q98-L258 HydrophobicContact CB-CD1 4.11Å; I139-L258 HydrophobicContact CG1-CD1 4.44Å; T198-L258 HydrophobicContact CG2-CD1 3.92Å; T198-L258 HydrophobicContact CG2-CD2 3.41Å; T198-L258 VanDerWaalsContact CG2-CD2 3.41Å; T198-L258 HydrophobicContact CG2-CG 4.28Å; P200-L258 HydrophobicContact CB-CD2 3.88Å; P200-L258 HydrophobicContact CB-CG 4.06Å; P200-L258 HydrophobicContact CG-CD2 3.98Å; P200-L258 HydrophobicContact CG-CG 4.05Å
259I95.3Very high91.3Very high0 Ų032 Ų320%019%0.189CC..EExtended strand (participates in β ladder)trans-132.9129.6178.5-49.6-170.5000109.1G94 I95 W201 F233 F236 V237 F241 V257 V263 L264G94-I259 CarbonylContact O-C 3.49Å; G94-I259 WeakPolarHBondContact O-CA 3.18Å; I95-I259 HydrophobicContact CG1-CG2 4.25Å; I95-I259 HydrophobicContact CG2-CG1 4.37Å; W201-I259 PolarHBondContact NE1-O 2.97Å; F233-I259 HydrophobicContact CE2-CD1 4.34Å; F236-I259 HydrophobicContact CD1-CD1 4.21Å; F236-I259 HydrophobicContact CE1-CD1 3.77Å; F236-I259 HydrophobicContact CE1-CG2 4.3Å; V237-I259 HydrophobicContact CG2-CD1 3.8Å; F241-I259 HydrophobicContact CE2-CD1 4.36Å; V257-I259 HydrophobicContact CG1-CD1 3.93Å; V257-I259 HydrophobicContact CG1-CG1 3.79Å; I259-V263 HydrophobicContact CG2-CB 3.9Å; I259-V263 HydrophobicContact CG2-CG1 3.67Å; I259-L264 HydrophobicContact CB-CD1 4.46Å; I259-L264 HydrophobicContact CB-CD2 4.17Å; I259-L264 HydrophobicContact CB-CG 4.21Å; I259-L264 HydrophobicContact CG2-CD1 4.45Å; I259-L264 HydrophobicContact CG2-CD2 3.7Å; I259-L264 HydrophobicContact CG2-CG 3.7Å
260S96Very high91.9Very high7 Ų729.9 Ų29.95%0.04917%0.166CC..  trans-70.5145.8-179.268.40000112.4G94 W136 T262 V263 L264G94-S260 PolarHBondContact O-N 3.44Å; G94-S260 PolarHBondContact O-OG 3.39Å; W136-S260 VanDerWaalsContact CH2-CA 3.49Å; S260-T262 PolarHBondContact O-N 2.9Å; S260-T262 VanDerWaalsContact O-N 3.12Å; S260-V263 PolarHBondContact O-N 2.73Å; S260-V263 WeakPolarHBondContact OG-CG2 3.44Å; S260-V263 PolarHBondContact OG-N 3.24Å; S260-L264 PolarHBondContact O-N 3.13Å; S260-L264 VanDerWaalsContact O-N 3.1Å
261P95.2Very high92.5Very high21 Ų2130.1 Ų30.114%0.13617%0.167CC..Hα-helixtrans-47-39.3171.8-32.536.8000113.8Y223 V263 L264 S265 T271Y223-P261 HydrophobicContact CD1-CG 3.58Å; Y223-P261 HydrophobicContact CE1-CG 3.38Å; Y223-P261 HydrophobicContact CG-CG 4.27Å; P261-V263 PolarHBondContact O-N 3.16Å; P261-L264 PolarHBondContact O-N 2.95Å; P261-S265 VanDerWaalsContact O-CB 3.31Å; P261-S265 WeakPolarHBondContact O-CB 3.49Å; P261-S265 PolarHBondContact O-N 3.2Å; P261-T271 WeakPolarHBondContact CB-OG1 3.2Å
262T93.3Very high92.9Very high90 Ų9031.7 Ų31.755%0.55217%0.174SC*.Hα-helixtrans-61.1-45.3178.7-50.40000112.4S260 Q266S260-T262 PolarHBondContact O-N 2.9Å; S260-T262 VanDerWaalsContact O-N 3.12Å; T262-Q266 WeakPolarHBondContact O-CB 3.37Å; T262-Q266 VanDerWaalsContact O-CG 3.24Å; T262-Q266 WeakPolarHBondContact O-CG 3Å; T262-Q266 PolarHBondContact O-N 2.84Å
263V93.3Very high93.3Very high17 Ų1735.1 Ų35.110%0.10319%0.188CC..Hα-helixtrans-69.3-41.4178.9169.10000111.3R93 I95 F236 I259 S260 P261 Q266 S267R93-V263 WeakPolarHBondContact O-CG2 3.16Å; I95-V263 HydrophobicContact CD1-CG1 3.83Å; I95-V263 HydrophobicContact CG1-CG1 3.79Å; I95-V263 HydrophobicContact CG1-CG2 4.34Å; F236-V263 HydrophobicContact CE1-CG1 4.41Å; F236-V263 HydrophobicContact CZ-CG1 4.01Å; I259-V263 HydrophobicContact CG2-CB 3.9Å; I259-V263 HydrophobicContact CG2-CG1 3.67Å; S260-V263 PolarHBondContact O-N 2.73Å; S260-V263 WeakPolarHBondContact OG-CG2 3.44Å; S260-V263 PolarHBondContact OG-N 3.24Å; P261-V263 PolarHBondContact O-N 3.16Å; V263-Q266 PolarHBondContact O-N 2.81Å; V263-S267 PolarHBondContact O-N 3.1Å; V263-S267 VanDerWaalsContact O-N 3.1Å; V263-S267 PolarHBondContact O-OG 2.86Å
264L94.4Very high93.7Very high0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-61.8-47.9176.5-68.1175.9000110.9W201 I225 F233 F236 I259 S260 P261 Q266 S267 G268 I269 T271W201-L264 HydrophobicContact CH2-CD1 4.2Å; W201-L264 HydrophobicContact CZ2-CD1 3.46Å; W201-L264 VanDerWaalsContact CZ2-CD1 3.46Å; I225-L264 HydrophobicContact CD1-CD1 4.04Å; I225-L264 HydrophobicContact CG1-CD1 4.48Å; F233-L264 HydrophobicContact CD2-CD2 3.72Å; F233-L264 HydrophobicContact CE2-CD1 4.47Å; F233-L264 HydrophobicContact CE2-CD2 3.85Å; F236-L264 HydrophobicContact CD1-CD2 4.13Å; F236-L264 HydrophobicContact CE1-CD2 4.06Å; I259-L264 HydrophobicContact CB-CD1 4.46Å; I259-L264 HydrophobicContact CB-CD2 4.17Å; I259-L264 HydrophobicContact CB-CG 4.21Å; I259-L264 HydrophobicContact CG2-CD1 4.45Å; I259-L264 HydrophobicContact CG2-CD2 3.7Å; I259-L264 HydrophobicContact CG2-CG 3.7Å; S260-L264 PolarHBondContact O-N 3.13Å; S260-L264 VanDerWaalsContact O-N 3.1Å; P261-L264 PolarHBondContact O-N 2.95Å; L264-Q266 VanDerWaalsContact C-N 3.31Å; L264-Q266 PolarHBondContact O-N 3.41Å; L264-S267 CarbonylContact O-C 3.55Å; L264-S267 WeakPolarHBondContact O-CA 3.15Å; L264-S267 WeakPolarHBondContact O-CB 3.33Å; L264-S267 PolarHBondContact O-N 2.93Å; L264-G268 PolarHBondContact O-N 3.29Å; L264-I269 CarbonylContact C-O 3.57Å; L264-I269 HydrophobicContact CB-CB 4.15Å; L264-I269 HydrophobicContact CB-CG2 4.29Å; L264-I269 WeakPolarHBondContact CB-O 3.44Å; L264-I269 HydrophobicContact CD2-CB 4.39Å; L264-I269 HydrophobicContact CD2-CD1 4.12Å; L264-I269 HydrophobicContact CD2-CG2 4.29Å; L264-I269 PolarHBondContact O-N 3.28Å; L264-I269 VanDerWaalsContact O-O 3.13Å; L264-T271 HydrophobicContact CB-CG2 4.12Å; L264-T271 HydrophobicContact CD1-CG2 3.57Å
265S91.8Very high94.1Very high54 Ų5432.9 Ų32.938%0.37818%0.181SC..Hα-helixtrans-60.6-37.5176.5-176.10000112.6Q21 P261 S267 G268 I269Q21-S265 PolarHBondContact NE2-OG 3.11Å; P261-S265 VanDerWaalsContact O-CB 3.31Å; P261-S265 WeakPolarHBondContact O-CB 3.49Å; P261-S265 PolarHBondContact O-N 3.2Å; S265-S267 PolarHBondContact O-N 3.04Å; S265-G268 PolarHBondContact O-N 3.23Å; S265-I269 PolarHBondContact N-O 3.29Å
266Q90Very high94.4Very high152 Ų15229.7 Ų29.771%0.7117%0.167SC*.Hα-helixtrans-66.2-26.8174.4-75.5170.1-1.400112.8T262 V263 L264 G268T262-Q266 WeakPolarHBondContact O-CB 3.37Å; T262-Q266 VanDerWaalsContact O-CG 3.24Å; T262-Q266 WeakPolarHBondContact O-CG 3Å; T262-Q266 PolarHBondContact O-N 2.84Å; V263-Q266 PolarHBondContact O-N 2.81Å; L264-Q266 VanDerWaalsContact C-N 3.31Å; L264-Q266 PolarHBondContact O-N 3.41Å; Q266-G268 VanDerWaalsContact C-N 3.26Å
267S86.8Confident94.7Very high41 Ų4132.6 Ų32.629%0.28718%0.18SC..THydrogen-bonded Turntrans-87.76.1173.3-50.80000112.6K232 F236 V263 L264 S265 I269K232-S267 WeakPolarHBondContact CE-O 3.17Å; K232-S267 PolarHBondContact NZ-O 2.77Å; F236-S267 WeakPolarHBondContact CE2-OG 3.45Å; F236-S267 WeakPolarHBondContact CZ-OG 3.15Å; V263-S267 PolarHBondContact O-N 3.1Å; V263-S267 VanDerWaalsContact O-N 3.1Å; V263-S267 PolarHBondContact O-OG 2.86Å; L264-S267 CarbonylContact O-C 3.55Å; L264-S267 WeakPolarHBondContact O-CA 3.15Å; L264-S267 WeakPolarHBondContact O-CB 3.33Å; L264-S267 PolarHBondContact O-N 2.93Å; S265-S267 PolarHBondContact O-N 3.04Å; S267-I269 VanDerWaalsContact C-N 3.3Å; S267-I269 PolarHBondContact O-N 3.47Å
268G89.8Confident94.9Very high18 Ų1837.4 Ų37.419%0.18620%0.202CC..THydrogen-bonded Turntrans65.329.6-176.300000113.6K232 L264 S265 Q266K232-G268 WeakPolarHBondContact CE-O 3.5Å; K232-G268 PolarHBondContact NZ-O 2.92Å; L264-G268 PolarHBondContact O-N 3.29Å; S265-G268 PolarHBondContact O-N 3.23Å; Q266-G268 VanDerWaalsContact C-N 3.26Å
269I93.9Very high95Very high0 Ų038.3 Ų38.30%021%0.212CC..  trans-105.4104.4170.4-63.6155.5000106.3I225 K232 F233 F236 L264 S265 S267I225-I269 HydrophobicContact CD1-CG2 4.04Å; I225-I269 HydrophobicContact CG1-CG2 4.15Å; I225-I269 HydrophobicContact CG2-CG2 3.97Å; K232-I269 HydrophobicContact CB-CG1 4.41Å; K232-I269 HydrophobicContact CD-CG1 4.02Å; K232-I269 HydrophobicContact CG-CD1 4.49Å; K232-I269 HydrophobicContact CG-CG1 3.9Å; F233-I269 HydrophobicContact CB-CD1 4.39Å; F233-I269 HydrophobicContact CB-CG2 4.19Å; F236-I269 HydrophobicContact CB-CD1 3.6Å; F236-I269 HydrophobicContact CD1-CD1 3.93Å; F236-I269 HydrophobicContact CG-CD1 3.82Å; L264-I269 CarbonylContact C-O 3.57Å; L264-I269 HydrophobicContact CB-CB 4.15Å; L264-I269 HydrophobicContact CB-CG2 4.29Å; L264-I269 WeakPolarHBondContact CB-O 3.44Å; L264-I269 HydrophobicContact CD2-CB 4.39Å; L264-I269 HydrophobicContact CD2-CD1 4.12Å; L264-I269 HydrophobicContact CD2-CG2 4.29Å; L264-I269 PolarHBondContact O-N 3.28Å; L264-I269 VanDerWaalsContact O-O 3.13Å; S265-I269 PolarHBondContact N-O 3.29Å; S267-I269 VanDerWaalsContact C-N 3.3Å; S267-I269 PolarHBondContact O-N 3.47Å
270P95Very high95.1Very high8 Ų839.4 Ų39.45%0.05222%0.217CC..  trans-73.3147.3-179.129.9-32.9000111.2Q21 I24 F229Q21-P270 HydrophobicContact CB-CB 4.11Å; Q21-P270 HydrophobicContact CB-CG 4.33Å; Q21-P270 HydrophobicContact CG-CB 3.94Å; I24-P270 HydrophobicContact CD1-CB 3.76Å; I24-P270 HydrophobicContact CD1-CG 3.45Å; I24-P270 VanDerWaalsContact CD1-CG 3.45Å; F229-P270 VanDerWaalsContact CD1-CD 3.41Å; F229-P270 HydrophobicContact CD1-CG 3.94Å; F229-P270 HydrophobicContact CD2-CG 3.47Å; F229-P270 VanDerWaalsContact CD2-CG 3.47Å; F229-P270 HydrophobicContact CE1-CG 3.91Å; F229-P270 HydrophobicContact CE2-CG 3.45Å; F229-P270 VanDerWaalsContact CE2-CG 3.45Å; F229-P270 VanDerWaalsContact CG-CD 3.5Å; F229-P270 HydrophobicContact CG-CG 3.73Å; F229-P270 HydrophobicContact CZ-CG 3.68Å
271T96.9Very high95.3Very high30 Ų3039 Ų3918%0.18422%0.215CC..  trans-130.1143.7173.656.10000110.1W201 V224 I225 P261 L264W201-T271 HydrophobicContact CH2-CG2 3.94Å; W201-T271 HydrophobicContact CZ2-CG2 4.16Å; V224-T271 CarbonylContact O-C 3.47Å; V224-T271 VanDerWaalsContact O-CA 3.23Å; V224-T271 WeakPolarHBondContact O-CA 3.24Å; I225-T271 HydrophobicContact CG1-CG2 3.88Å; P261-T271 WeakPolarHBondContact CB-OG1 3.2Å; L264-T271 HydrophobicContact CB-CG2 4.12Å; L264-T271 HydrophobicContact CD1-CG2 3.57Å
272K97.1Very high95.4Very high36 Ų3638.1 Ų38.116%0.15721%0.208CC..EExtended strand (participates in β ladder)trans-108.8157.9164.5-65.1-66.4-175.1164.70110.2I24 P25 E26 I27 Y223 V224I24-K272 HydrophobicContact CG2-CG 4.2Å; I24-K272 WeakPolarHBondContact O-CE 3.33Å; I24-K272 PolarHBondContact O-NZ 3.13Å; P25-K272 WeakPolarHBondContact O-CE 3.47Å; E26-K272 IonicContact OE1-NZ 3.85Å; E26-K272 PolarHBondContact OE1-NZ 2.89Å; I27-K272 HydrophobicContact CD1-CB 3.82Å; I27-K272 HydrophobicContact CG1-CB 3.78Å; Y223-K272 CarbonylContact C-O 3.58Å; Y223-K272 VanDerWaalsContact CA-O 3.3Å; Y223-K272 WeakPolarHBondContact CA-O 3.11Å; V224-K272 HydrophobicContact CG1-CB 4.05Å; V224-K272 PolarHBondContact N-O 3.44Å; V224-K272 PolarHBondContact O-N 2.95Å
273K97.4Very high95.7Very high82 Ų8233.8 Ų33.836%0.35718%0.182SC..EExtended strand (participates in β ladder)trans-135.1146.5-178.277.1-178.3-169.8179.60111.9D129 E132 W222 Y223D129-K273 IonicContact OD1-NZ 2.78Å; D129-K273 PolarHBondContact OD1-NZ 2.83Å; E132-K273 IonicContact OE1-NZ 2.87Å; E132-K273 IonicContact OE2-NZ 3.27Å; E132-K273 PolarHBondContact OE2-NZ 3.37Å; W222-K273 CarbonylContact O-C 3.56Å; W222-K273 WeakPolarHBondContact O-CA 3.05Å; Y223-K273 HydrophobicContact CD1-CB 3.65Å; Y223-K273 HydrophobicContact CE1-CB 3.93Å; Y223-K273 HydrophobicContact CE1-CD 4.39Å
274I98.3Very high95.9Very high24 Ų2433 Ų3312%0.12318%0.178CC..EExtended strand (participates in β ladder)trans-148.7154174.9-163.8164.7000110.8I27 V29 L57 K59 W222 M282I27-I274 HydrophobicContact CB-CB 4.2Å; I27-I274 HydrophobicContact CB-CD1 4.08Å; I27-I274 HydrophobicContact CB-CG2 4.36Å; I27-I274 HydrophobicContact CD1-CB 3.81Å; I27-I274 HydrophobicContact CD1-CG2 3.74Å; I27-I274 HydrophobicContact CG2-CB 4.25Å; I27-I274 HydrophobicContact CG2-CD1 3.77Å; I27-I274 HydrophobicContact CG2-CG2 3.96Å; V29-I274 HydrophobicContact CG2-CD1 3.84Å; L57-I274 HydrophobicContact CD2-CG2 4.25Å; K59-I274 HydrophobicContact CB-CD1 4.12Å; W222-I274 HydrophobicContact CB-CG2 4.1Å; W222-I274 PolarHBondContact N-O 2.88Å; W222-I274 PolarHBondContact O-N 3.31Å; I274-M282 HydrophobicContact CG2-CE 3.55Å; I274-M282 HydrophobicContact CG2-SD 4.35Å
275L98.3Very high96.1Very high36 Ų3633.2 Ų33.219%0.18818%0.178CC..EExtended strand (participates in β ladder)trans-100.9128.3172.2-54.4-179000109.6K59 Y128 C221 M295K59-L275 WeakPolarHBondContact CE-O 3.49Å; K59-L275 PolarHBondContact NZ-O 3.41Å; Y128-L275 HydrophobicContact CD1-CD1 4.18Å; Y128-L275 HydrophobicContact CD2-CD1 3.29Å; Y128-L275 HydrophobicContact CE2-CD1 3.98Å; Y128-L275 HydrophobicContact CG-CD1 3.41Å; Y128-L275 VanDerWaalsContact CG-CD1 3.41Å; C221-L275 HydrophobicContact CB-CD2 3.79Å; L275-M295 HydrophobicContact CD1-CE 4.33Å; L275-M295 HydrophobicContact CD2-CE 3.47Å; L275-M295 VanDerWaalsContact CD2-CE 3.47Å; L275-M295 HydrophobicContact CD2-SD 4.12Å
276Q98.6Very high96.4Very high0 Ų030.7 Ų30.70%016%0.16CC..EExtended strand (participates in β ladder)trans-94.3120.6167.9179.2-168.820.200108.3N212 L214 P219 K220 E280 M282N212-Q276 PolarHBondContact O-NE2 3.09Å; N212-Q276 PolarHBondContact OD1-NE2 3.17Å; N212-Q276 PolarHBondContact OD1-OE1 3.12Å; L214-Q276 HydrophobicContact CB-CG 3.97Å; L214-Q276 HydrophobicContact CD2-CG 4.34Å; L214-Q276 VanDerWaalsContact CD2-O 3.29Å; L214-Q276 WeakPolarHBondContact CD2-O 3.38Å; P219-Q276 CarbonylContact C-O 3.59Å; P219-Q276 WeakPolarHBondContact CA-O 3.27Å; P219-Q276 VanDerWaalsContact CB-O 3.26Å; P219-Q276 WeakPolarHBondContact CB-O 3.35Å; K220-Q276 HydrophobicContact CB-CB 4.35Å; K220-Q276 PolarHBondContact N-O 3.05Å; K220-Q276 PolarHBondContact O-N 3.18Å; Q276-E280 WeakPolarHBondContact CA-OE2 3.31Å; Q276-E280 HydrophobicContact CG-CB 4.2Å; Q276-E280 PolarHBondContact NE2-O 2.84Å; Q276-M282 HydrophobicContact CB-CG 3.73Å; Q276-M282 HydrophobicContact CB-SD 4.01Å; Q276-M282 VanDerWaalsContact CD-CG 3.42Å; Q276-M282 HydrophobicContact CG-CG 3.62Å; Q276-M282 HydrophobicContact CG-SD 4.27Å
277H98.5Very high96.7Very high69 Ų6924.2 Ų24.232%0.31913%0.13SC..PPolyproline II helixtrans-94.6167.7175.2-65.1-93.6000111.1G279 E280H277-G279 PolarHBondContact O-N 3.17Å; H277-E280 HydrophobicContact CB-CG 4.28Å; H277-E280 IonicContact CD2-OE2 2.65Å; H277-E280 PolarHBondContact N-OE2 2.83Å; H277-E280 WeakPolarHBondContact O-CB 3.12Å; H277-E280 PolarHBondContact O-N 3.46Å
278E97.6Very high97.2Very high100 Ų10022.4 Ų22.447%0.46712%0.117SC..THydrogen-bonded Turntrans-55135.3173.9-170.5177.9127.800110.6H215 Y216 G217H215-E278 WeakPolarHBondContact O-CG 3.45Å; Y216-E278 WeakPolarHBondContact CA-OE2 3.4Å; G217-E278 PolarHBondContact N-OE2 3Å
279G97.2Very high97.6Very high20 Ų2022 Ų2221%0.20611%0.11CC..THydrogen-bonded Turntrans83.61-176.900000115.4P62 Y213 L214 H277P62-G279 WeakPolarHBondContact CD-O 3.25Å; P62-G279 VanDerWaalsContact CG-O 3.31Å; P62-G279 WeakPolarHBondContact CG-O 3.36Å; Y213-G279 WeakPolarHBondContact CE2-O 3.47Å; L214-G279 PolarHBondContact O-N 3.12Å; H277-G279 PolarHBondContact O-N 3.17Å
280E98.4Very high97.9Very high22 Ų2222.3 Ų22.310%0.10311%0.111CC..  trans-104.3140.6-179.2-57.3-176.4140.500113.1K59 I61 L214 Q276 H277K59-E280 HydrophobicContact CD-CB 4.43Å; K59-E280 HydrophobicContact CD-CG 4.41Å; K59-E280 WeakPolarHBondContact CD-OE1 3.47Å; K59-E280 WeakPolarHBondContact CD-OE2 3.39Å; K59-E280 WeakPolarHBondContact CE-OE2 3.34Å; K59-E280 HydrophobicContact CG-CB 4.42Å; K59-E280 IonicContact NZ-OE1 3.12Å; K59-E280 PolarHBondContact NZ-OE1 3.24Å; K59-E280 IonicContact NZ-OE2 2.85Å; K59-E280 PolarHBondContact NZ-OE2 2.81Å; I61-E280 HydrophobicContact CG1-CG 4.26Å; L214-E280 PolarHBondContact N-O 3.3Å; Q276-E280 WeakPolarHBondContact CA-OE2 3.31Å; Q276-E280 HydrophobicContact CG-CB 4.2Å; Q276-E280 PolarHBondContact NE2-O 2.84Å; H277-E280 HydrophobicContact CB-CG 4.28Å; H277-E280 IonicContact CD2-OE2 2.65Å; H277-E280 PolarHBondContact N-OE2 2.83Å; H277-E280 WeakPolarHBondContact O-CB 3.12Å; H277-E280 PolarHBondContact O-N 3.46Å
281F98.6Very high98Very high0 Ų022 Ų220%011%0.109CC..EExtended strand (participates in β ladder)trans-90.7145.3169.8-69.3-88.5000111.4F37 K59 V60 P62 W66 M155 W162 I164 I211 N212 Y213F37-F281 HydrophobicContact CZ-CD2 4.4Å; F37-F281 AromaticContact CZ-CE2 3.87Å; F37-F281 HydrophobicContact CZ-CE2 3.87Å; K59-F281 CarbonylContact C-O 3.04Å; K59-F281 WeakPolarHBondContact CA-O 3.48Å; K59-F281 WeakPolarHBondContact CG-O 3.49Å; V60-F281 HydrophobicContact CB-CB 4.18Å; V60-F281 PolarHBondContact N-O 3Å; V60-F281 WeakPolarHBondContact O-CB 3.25Å; V60-F281 PolarHBondContact O-N 2.84Å; P62-F281 HydrophobicContact CB-CE2 4.34Å; P62-F281 HydrophobicContact CG-CD2 4.45Å; P62-F281 HydrophobicContact CG-CE2 4.36Å; W66-F281 HydrophobicContact CE3-CE2 4.38Å; W66-F281 AromaticContact CH2-CE2 3.6Å; W66-F281 HydrophobicContact CH2-CE2 3.6Å; W66-F281 AromaticContact CH2-CZ 3.38Å; W66-F281 HydrophobicContact CH2-CZ 3.38Å; W66-F281 HydrophobicContact CZ2-CE2 4.14Å; W66-F281 AromaticContact CZ2-CZ 3.77Å; W66-F281 HydrophobicContact CZ2-CZ 3.77Å; W66-F281 AromaticContact CZ3-CE2 3.73Å; W66-F281 HydrophobicContact CZ3-CE2 3.73Å; W66-F281 HydrophobicContact CZ3-CZ 4.02Å; M155-F281 HydrophobicContact CE-CE1 4.33Å; M155-F281 HydrophobicContact CE-CZ 4.38Å; W162-F281 HydrophobicContact CB-CZ 4Å; W162-F281 AromaticContact CE3-CD1 3.96Å; W162-F281 HydrophobicContact CE3-CD1 3.96Å; W162-F281 AromaticContact CE3-CD2 3.93Å; W162-F281 HydrophobicContact CE3-CD2 3.93Å; W162-F281 AromaticContact CE3-CE1 3.91Å; W162-F281 HydrophobicContact CE3-CE1 3.91Å; W162-F281 AromaticContact CE3-CE2 3.91Å; W162-F281 HydrophobicContact CE3-CE2 3.91Å; W162-F281 AromaticContact CE3-CG 3.95Å; W162-F281 HydrophobicContact CE3-CG 3.95Å; W162-F281 AromaticContact CE3-CZ 3.88Å; W162-F281 HydrophobicContact CE3-CZ 3.88Å; W162-F281 HydrophobicContact CZ3-CB 4.2Å; W162-F281 HydrophobicContact CZ3-CD1 4.24Å; W162-F281 HydrophobicContact CZ3-CD2 4.17Å; W162-F281 AromaticContact CZ3-CG 3.97Å; W162-F281 HydrophobicContact CZ3-CG 3.97Å; I164-F281 HydrophobicContact CD1-CE1 4.33Å; I164-F281 HydrophobicContact CG1-CE1 4.41Å; I211-F281 HydrophobicContact CD1-CD1 3.6Å; I211-F281 HydrophobicContact CD1-CE1 3.77Å; I211-F281 HydrophobicContact CG1-CD1 3.72Å; I211-F281 HydrophobicContact CG1-CE1 4.25Å; N212-F281 CarbonylContact O-C 3.57Å; N212-F281 VanDerWaalsContact O-CA 3.27Å; N212-F281 WeakPolarHBondContact O-CA 3.26Å; Y213-F281 AromaticContact CD2-CD1 3.79Å; Y213-F281 HydrophobicContact CD2-CD1 3.79Å; Y213-F281 AromaticContact CD2-CD2 3.73Å; Y213-F281 HydrophobicContact CD2-CD2 3.73Å; Y213-F281 AromaticContact CD2-CE1 3.66Å; Y213-F281 HydrophobicContact CD2-CE1 3.66Å; Y213-F281 AromaticContact CD2-CE2 3.55Å; Y213-F281 HydrophobicContact CD2-CE2 3.55Å; Y213-F281 AromaticContact CD2-CG 3.85Å; Y213-F281 HydrophobicContact CD2-CG 3.85Å; Y213-F281 AromaticContact CD2-CZ 3.54Å; Y213-F281 HydrophobicContact CD2-CZ 3.54Å; Y213-F281 HydrophobicContact CE2-CD2 4.2Å; Y213-F281 AromaticContact CE2-CE2 3.84Å; Y213-F281 HydrophobicContact CE2-CE2 3.84Å; Y213-F281 HydrophobicContact CE2-CZ 4.1Å; Y213-F281 HydrophobicContact CG-CD1 4.18Å; Y213-F281 AromaticContact CG-CE1 3.9Å; Y213-F281 HydrophobicContact CG-CE1 3.9Å; Y213-F281 HydrophobicContact CG-CZ 4.09Å
282M98.8Very high98.1Very high1 Ų120.5 Ų20.51%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-119.1138.9165.9-63.9-61.3-53.400109.1L57 C58 K59 I211 N212 W222 I274 Q276L57-M282 HydrophobicContact CD1-CE 3.54Å; L57-M282 HydrophobicContact CD2-CE 3.82Å; L57-M282 HydrophobicContact CG-CE 3.58Å; C58-M282 WeakPolarHBondContact O-CA 3.06Å; C58-M282 WeakPolarHBondContact O-CE 3.35Å; K59-M282 HydrophobicContact CB-CE 4.32Å; K59-M282 HydrophobicContact CB-SD 3.66Å; K59-M282 HydrophobicContact CG-SD 3.89Å; I211-M282 CarbonylContact C-O 3.17Å; I211-M282 WeakPolarHBondContact CA-O 3.38Å; N212-M282 HydrophobicContact CB-CB 4.42Å; N212-M282 PolarHBondContact N-O 2.9Å; N212-M282 PolarHBondContact O-N 2.84Å; W222-M282 HydrophobicContact CD2-CG 4.41Å; W222-M282 HydrophobicContact CG-CE 4.35Å; W222-M282 HydrophobicContact CH2-CB 4.31Å; W222-M282 HydrophobicContact CZ2-CB 3.86Å; W222-M282 HydrophobicContact CZ2-CG 4.04Å; I274-M282 HydrophobicContact CG2-CE 3.55Å; I274-M282 HydrophobicContact CG2-SD 4.35Å; Q276-M282 HydrophobicContact CB-CG 3.73Å; Q276-M282 HydrophobicContact CB-SD 4.01Å; Q276-M282 VanDerWaalsContact CD-CG 3.42Å; Q276-M282 HydrophobicContact CG-CG 3.62Å; Q276-M282 HydrophobicContact CG-SD 4.27Å
283I98.6Very high98.1Very high0 Ų018.8 Ų18.80%09%0.093CC..EExtended strand (participates in β ladder)trans-121.9117.2178.4-54.7-66.8000108.8I44 L57 C58 V60 W162 S210 I211 F285 F305I44-I283 HydrophobicContact CD1-CD1 3.93Å; I44-I283 HydrophobicContact CD1-CG1 3.92Å; L57-I283 WeakPolarHBondContact CA-O 3.31Å; L57-I283 WeakPolarHBondContact CD1-O 3.37Å; C58-I283 PolarHBondContact N-O 2.85Å; C58-I283 PolarHBondContact O-N 3.3Å; V60-I283 HydrophobicContact CG2-CG1 4.21Å; W162-I283 HydrophobicContact CZ3-CD1 4.4Å; S210-I283 WeakPolarHBondContact O-CA 3.36Å; I211-I283 HydrophobicContact CB-CD1 3.78Å; I211-I283 HydrophobicContact CD1-CD1 3.97Å; I211-I283 HydrophobicContact CG1-CD1 3.66Å; I283-F285 HydrophobicContact CG2-CE2 4.34Å; I283-F285 HydrophobicContact CG2-CZ 4.23Å; I283-F305 HydrophobicContact CD1-CE1 4.26Å; I283-F305 HydrophobicContact CD1-CZ 4.44Å; I283-F305 HydrophobicContact CG2-CE1 4.21Å; I283-F305 HydrophobicContact CG2-CZ 3.87Å
284T98.6Very high98.2Very high1 Ų114.9 Ų14.91%0.0068%0.076CC..EExtended strand (participates in β ladder)trans-89.7144.3168.771.60000109.3L57 Y209 S210 W222L57-T284 HydrophobicContact CD1-CG2 3.98Å; Y209-T284 WeakPolarHBondContact CA-O 3.37Å; Y209-T284 WeakPolarHBondContact CB-O 3.46Å; S210-T284 WeakPolarHBondContact CB-OG1 3.3Å; S210-T284 PolarHBondContact N-O 3.34Å; S210-T284 PolarHBondContact N-OG1 3.44Å; S210-T284 PolarHBondContact O-N 3.3Å; S210-T284 WeakPolarHBondContact OG-CG2 3.24Å; S210-T284 PolarHBondContact OG-OG1 3.1Å; W222-T284 HydrophobicContact CZ3-CG2 3.95Å
285F98.4Very high98.1Very high3 Ų313.8 Ų13.81%0.0137%0.07CC..  trans-102.9155.6179.8-65.1-92.6000110.9I47 E48 A52 H53 G56 C58 Y209 I283 Y287 A288I47-F285 HydrophobicContact CG2-CZ 4.05Å; E48-F285 HydrophobicContact CG-CE1 4.03Å; E48-F285 VanDerWaalsContact OE1-CD1 3.27Å; E48-F285 WeakPolarHBondContact OE1-CD1 3.24Å; A52-F285 HydrophobicContact CB-CE2 4.15Å; A52-F285 HydrophobicContact CB-CZ 3.78Å; H53-F285 HydrophobicContact CB-CB 4.31Å; H53-F285 HydrophobicContact CB-CD1 3.43Å; H53-F285 VanDerWaalsContact CB-CD1 3.43Å; H53-F285 HydrophobicContact CB-CE1 3.85Å; H53-F285 HydrophobicContact CB-CG 3.87Å; G56-F285 VanDerWaalsContact C-CD2 3.49Å; G56-F285 WeakPolarHBondContact O-CD2 3.42Å; G56-F285 PolarHBondContact O-N 2.9Å; G56-F285 VanDerWaalsContact O-N 3.14Å; C58-F285 HydrophobicContact CB-CE2 4.09Å; C58-F285 HydrophobicContact CB-CZ 4.49Å; Y209-F285 HydrophobicContact CD1-CD1 4.07Å; Y209-F285 AromaticContact CE1-CD1 3.66Å; Y209-F285 HydrophobicContact CE1-CD1 3.66Å; Y209-F285 HydrophobicContact CE1-CE1 4.22Å; I283-F285 HydrophobicContact CG2-CE2 4.34Å; I283-F285 HydrophobicContact CG2-CZ 4.23Å; F285-Y287 PolarHBondContact O-N 3.16Å; F285-A288 WeakPolarHBondContact O-CB 3.34Å; F285-A288 PolarHBondContact O-N 3.01Å
286P97.8Very high98.1Very high1 Ų112.1 Ų12.11%0.0066%0.061CC..THydrogen-bonded Turntrans-44.9130176.7-35.736.6000113.8D207 Y209 A288 W310 Y313D207-P286 VanDerWaalsContact O-CA 3.26Å; D207-P286 WeakPolarHBondContact O-CA 3.35Å; D207-P286 VanDerWaalsContact O-CB 3.22Å; D207-P286 WeakPolarHBondContact O-CB 3.35Å; Y209-P286 HydrophobicContact CD1-CG 4.4Å; Y209-P286 HydrophobicContact CD2-CG 3.65Å; Y209-P286 VanDerWaalsContact CE1-CD 3.43Å; Y209-P286 HydrophobicContact CE1-CG 4.18Å; Y209-P286 HydrophobicContact CE2-CG 3.39Å; Y209-P286 HydrophobicContact CG-CG 4.14Å; Y209-P286 VanDerWaalsContact CZ-CD 3.43Å; P286-A288 PolarHBondContact O-N 2.96Å; P286-A288 VanDerWaalsContact O-N 3.16Å; P286-W310 HydrophobicContact CG-CB 4.26Å; P286-Y313 HydrophobicContact CB-CD1 3.76Å; P286-Y313 HydrophobicContact CB-CD2 3.63Å; P286-Y313 HydrophobicContact CB-CE1 3.91Å; P286-Y313 HydrophobicContact CB-CE2 3.8Å; P286-Y313 HydrophobicContact CB-CG 3.61Å; P286-Y313 HydrophobicContact CG-CD2 4.34Å
287Y96.6Very high98.1Very high17 Ų1712.6 Ų12.67%0.0676%0.064CC..THydrogen-bonded Turntrans61.112.3-179.2-133.7-83.6000116.1D207 A230 E234 F285 Y289 Y313 H355 L357D207-Y287 HydrophobicContact CB-CD2 4.03Å; D207-Y287 WeakPolarHBondContact OD2-CD2 3.45Å; D207-Y287 WeakPolarHBondContact OD2-CE2 3.34Å; A230-Y287 HydrophobicContact CB-CD1 3.83Å; A230-Y287 HydrophobicContact CB-CE1 4.08Å; E234-Y287 PolarHBondContact OE1-OH 3.1Å; F285-Y287 PolarHBondContact O-N 3.16Å; Y287-Y289 HydrophobicContact CD1-CE2 4.48Å; Y287-Y289 HydrophobicContact CE1-CE2 4.33Å; Y287-Y289 PolarHBondContact O-N 3.08Å; Y287-Y313 HydrophobicContact CD2-CD1 4.2Å; Y287-Y313 HydrophobicContact CG-CD1 4.47Å; Y287-Y313 HydrophobicContact CG-CE1 4.49Å; Y287-H355 AromaticContact CD2-CE1 3.94Å; Y287-H355 AromaticContact CD2-NE2 3.98Å; Y287-H355 AromaticContact CE2-CE1 3.91Å; Y287-H355 AromaticContact CE2-NE2 3.53Å; Y287-L357 HydrophobicContact CD1-CD1 3.39Å; Y287-L357 HydrophobicContact CD1-CG 4.3Å; Y287-L357 HydrophobicContact CE1-CD1 3.44Å; Y287-L357 VanDerWaalsContact CE1-CD1 3.44Å; Y287-L357 HydrophobicContact CG-CD1 3.91Å; Y287-L357 HydrophobicContact CG-CG 4.42Å
288A97.3Very high98.1Very high2 Ų29.3 Ų9.32%0.0175%0.049CC..  trans-80.2105.4173.800000111.1G56 V224 P227 F285 P286 H290G56-A288 WeakPolarHBondContact O-CB 3.17Å; V224-A288 HydrophobicContact CG2-CB 4.29Å; P227-A288 HydrophobicContact CG-CB 4.3Å; F285-A288 WeakPolarHBondContact O-CB 3.34Å; F285-A288 PolarHBondContact O-N 3.01Å; P286-A288 PolarHBondContact O-N 2.96Å; P286-A288 VanDerWaalsContact O-N 3.16Å; A288-H290 PolarHBondContact O-N 3.22Å; A288-H290 PolarHBondContact O-ND1 2.97Å
289Y98.3Very high98.1Very high11 Ų114.6 Ų4.64%0.0433%0.027CC..EExtended strand (participates in β ladder)trans-62.9125.6174-85.6-79.2000110W201 H202 V203 V224 I225 A230 F233 E234 L252 Y287W201-Y289 WeakPolarHBondContact CZ3-O 3.35Å; H202-Y289 WeakPolarHBondContact O-CA 3.47Å; V203-Y289 HydrophobicContact CG1-CD1 3.89Å; V203-Y289 HydrophobicContact CG1-CD2 3.75Å; V203-Y289 HydrophobicContact CG1-CE1 3.97Å; V203-Y289 HydrophobicContact CG1-CE2 3.84Å; V203-Y289 HydrophobicContact CG1-CG 3.78Å; V203-Y289 HydrophobicContact CG2-CE1 4.47Å; V224-Y289 WeakPolarHBondContact CA-O 3.19Å; I225-Y289 PolarHBondContact N-O 2.88Å; A230-Y289 HydrophobicContact CB-CD2 3.87Å; A230-Y289 HydrophobicContact CB-CE2 4.19Å; F233-Y289 AromaticContact CD1-CD1 3.78Å; F233-Y289 HydrophobicContact CD1-CD1 3.78Å; F233-Y289 AromaticContact CD1-CD2 3.84Å; F233-Y289 HydrophobicContact CD1-CD2 3.84Å; F233-Y289 HydrophobicContact CD1-CE1 4.04Å; F233-Y289 HydrophobicContact CD1-CE2 4.08Å; F233-Y289 AromaticContact CD1-CG 3.68Å; F233-Y289 HydrophobicContact CD1-CG 3.68Å; F233-Y289 AromaticContact CE1-CD1 3.44Å; F233-Y289 HydrophobicContact CE1-CD1 3.44Å; F233-Y289 VanDerWaalsContact CE1-CD1 3.44Å; F233-Y289 HydrophobicContact CE1-CD2 4.37Å; F233-Y289 AromaticContact CE1-CE1 3.71Å; F233-Y289 HydrophobicContact CE1-CE1 3.71Å; F233-Y289 AromaticContact CE1-CG 3.81Å; F233-Y289 HydrophobicContact CE1-CG 3.81Å; E234-Y289 HydrophobicContact CG-CE2 3.76Å; E234-Y289 WeakPolarHBondContact CG-OH 3.32Å; E234-Y289 WeakPolarHBondContact OE1-CE2 3.49Å; E234-Y289 PolarHBondContact OE1-OH 3.24Å; L252-Y289 HydrophobicContact CB-CE1 4.2Å; L252-Y289 HydrophobicContact CD1-CE1 3.88Å; L252-Y289 HydrophobicContact CD2-CE1 4.42Å; L252-Y289 HydrophobicContact CG-CE1 4.4Å; Y287-Y289 HydrophobicContact CD1-CE2 4.48Å; Y287-Y289 HydrophobicContact CE1-CE2 4.33Å; Y287-Y289 PolarHBondContact O-N 3.08Å
290H98.7Very high98.1Very high5 Ų53.6 Ų3.62%0.0232%0.017CC..EExtended strand (participates in β ladder)trans-139.5155.4-18064.1-79.4000111.7W201 H202 E204 W222 Y223 A288W201-H290 WeakPolarHBondContact CA-O 3.4Å; W201-H290 VanDerWaalsContact CE3-C 3.47Å; H202-H290 AromaticContact CE1-NE2 3.49Å; H202-H290 PolarHBondContact CE1-NE2 3.05Å; H202-H290 PolarHBondContact N-O 2.83Å; H202-H290 VanDerWaalsContact N-O 3.12Å; H202-H290 AromaticContact NE2-NE2 3.67Å; H202-H290 PolarHBondContact O-N 2.99Å; H202-H290 PolarHBondContact O-ND1 2.86Å; E204-H290 IonicContact OE1-CE1 3.63Å; E204-H290 PolarHBondContact OE1-CE1 3.49Å; E204-H290 IonicContact OE1-NE2 3.49Å; W222-H290 AromaticContact CZ3-CD2 3.74Å; Y223-H290 WeakPolarHBondContact O-CA 3.43Å; Y223-H290 WeakPolarHBondContact O-CB 3.48Å; A288-H290 PolarHBondContact O-N 3.22Å; A288-H290 PolarHBondContact O-ND1 2.97Å
291S98.4Very high98.1Very high1 Ų12.6 Ų2.61%0.0071%0.012CC..EExtended strand (participates in β ladder)trans-156.2169179.9-174.50000109.6F199 W201 Y223F199-S291 WeakPolarHBondContact CE2-O 3.49Å; F199-S291 CarbonylContact O-C 3.55Å; F199-S291 VanDerWaalsContact O-CA 3.3Å; F199-S291 WeakPolarHBondContact O-CA 3.21Å; F199-S291 WeakPolarHBondContact O-CB 3.49Å; F199-S291 PolarHBondContact O-OG 3.28Å; W201-S291 VanDerWaalsContact CD2-CB 3.4Å; W201-S291 PolarHBondContact N-OG 3.44Å; Y223-S291 PolarHBondContact N-O 3.01Å; Y223-S291 PolarHBondContact O-N 3.44Å; Y223-S291 VanDerWaalsContact O-N 3.09Å
292G98.1Very high98Very high0 Ų03.2 Ų3.20%02%0.016CC..EExtended strand (participates in β ladder)trans168.3-170.9177.500000114.4T198 F199 C221T198-G292 WeakPolarHBondContact CA-O 3.32Å; T198-G292 WeakPolarHBondContact CG2-O 3.4Å; F199-G292 VanDerWaalsContact CD1-C 3.47Å; F199-G292 VanDerWaalsContact CD1-O 3.31Å; F199-G292 WeakPolarHBondContact CD1-O 3.22Å; F199-G292 VanDerWaalsContact CE1-CA 3.48Å; F199-G292 VanDerWaalsContact CE2-N 3.31Å; F199-G292 PolarHBondContact N-O 3.07Å; F199-G292 PolarHBondContact O-N 2.84Å; C221-G292 CarbonylContact O-C 3.57Å; C221-G292 WeakPolarHBondContact O-CA 3.31Å
293F98.1Very high97.9Very high0 Ų03.5 Ų3.50%02%0.018CC..EExtended strand (participates in β ladder)trans-150.5154.2-174.866.2-83.2000112.6E132 Y135 W195 S197 C221 Y223 M295E132-F293 HydrophobicContact CB-CZ 4.2Å; E132-F293 HydrophobicContact CG-CE1 4.4Å; E132-F293 HydrophobicContact CG-CZ 4.34Å; Y135-F293 AromaticContact CD1-CD1 3.6Å; Y135-F293 HydrophobicContact CD1-CD1 3.6Å; Y135-F293 AromaticContact CD1-CE1 3.76Å; Y135-F293 HydrophobicContact CD1-CE1 3.76Å; Y135-F293 HydrophobicContact CD1-CG 4.02Å; Y135-F293 HydrophobicContact CD1-CZ 4.28Å; Y135-F293 HydrophobicContact CD2-CB 3.8Å; Y135-F293 HydrophobicContact CD2-CD1 4.05Å; Y135-F293 AromaticContact CD2-CD2 3.76Å; Y135-F293 HydrophobicContact CD2-CD2 3.76Å; Y135-F293 HydrophobicContact CD2-CE2 4.38Å; Y135-F293 AromaticContact CD2-CG 3.58Å; Y135-F293 HydrophobicContact CD2-CG 3.58Å; Y135-F293 HydrophobicContact CE1-CB 4.45Å; Y135-F293 AromaticContact CE1-CD1 3.69Å; Y135-F293 HydrophobicContact CE1-CD1 3.69Å; Y135-F293 HydrophobicContact CE1-CE1 4.24Å; Y135-F293 HydrophobicContact CE1-CG 4.15Å; Y135-F293 HydrophobicContact CE2-CB 3.48Å; Y135-F293 VanDerWaalsContact CE2-CB 3.48Å; Y135-F293 HydrophobicContact CE2-CD1 4.14Å; Y135-F293 HydrophobicContact CE2-CD2 4.34Å; Y135-F293 AromaticContact CE2-CG 3.73Å; Y135-F293 HydrophobicContact CE2-CG 3.73Å; Y135-F293 HydrophobicContact CG-CB 4.43Å; Y135-F293 AromaticContact CG-CD1 3.8Å; Y135-F293 HydrophobicContact CG-CD1 3.8Å; Y135-F293 AromaticContact CG-CD2 3.86Å; Y135-F293 HydrophobicContact CG-CD2 3.86Å; Y135-F293 HydrophobicContact CG-CE1 4Å; Y135-F293 HydrophobicContact CG-CE2 4.05Å; Y135-F293 AromaticContact CG-CG 3.74Å; Y135-F293 HydrophobicContact CG-CG 3.74Å; Y135-F293 HydrophobicContact CG-CZ 4.13Å; Y135-F293 AromaticContact CZ-CD1 3.97Å; W195-F293 HydrophobicContact CZ3-CD2 4.15Å; W195-F293 AromaticContact CZ3-CE2 3.94Å; W195-F293 HydrophobicContact CZ3-CE2 3.94Å; S197-F293 CarbonylContact O-C 3.52Å; S197-F293 WeakPolarHBondContact O-CA 3.33Å; C221-F293 HydrophobicContact CB-CD1 3.9Å; C221-F293 HydrophobicContact CB-CD2 4.48Å; C221-F293 HydrophobicContact CB-CE1 3.46Å; C221-F293 VanDerWaalsContact CB-CE1 3.46Å; C221-F293 HydrophobicContact CB-CE2 4.11Å; C221-F293 HydrophobicContact CB-CG 4.38Å; C221-F293 HydrophobicContact CB-CZ 3.58Å; C221-F293 PolarHBondContact N-O 3.16Å; C221-F293 PolarHBondContact O-N 3.06Å; Y223-F293 HydrophobicContact CE2-CD1 4.18Å; Y223-F293 HydrophobicContact CE2-CE1 4.16Å; Y223-F293 WeakPolarHBondContact OH-CE1 3.41Å; F293-M295 HydrophobicContact CE2-CE 4.21Å; F293-M295 HydrophobicContact CE2-CG 4.02Å; F293-M295 HydrophobicContact CZ-CE 4.19Å
294N98.4Very high97.8Very high0 Ų04 Ų40%02%0.021CC..EExtended strand (participates in β ladder)trans-86.9134.7175.4-60.5-68.4000110.5Y146 M194 R196 S197 K220 G296 N298Y146-N294 WeakPolarHBondContact CE2-ND2 3.25Å; M194-N294 WeakPolarHBondContact O-CB 3.33Å; R196-N294 PolarHBondContact N-O 2.87Å; S197-N294 PolarHBondContact O-N 3.41Å; S197-N294 PolarHBondContact O-ND2 3.24Å; S197-N294 PolarHBondContact OG-ND2 3.01Å; K220-N294 WeakPolarHBondContact CG-OD1 3.39Å; K220-N294 PolarHBondContact NZ-OD1 2.97Å; N294-G296 VanDerWaalsContact C-N 3.32Å; N294-N298 PolarHBondContact OD1-ND2 2.71Å; N294-N298 PolarHBondContact OD1-OD1 3.1Å
295M97.6Very high97.7Very high1 Ų14 Ų41%0.0052%0.021CC..SBendtrans-82-8.7-177.1-67.9-174.6151.500113.8T122 Y128 L131 F218 P219 C221 L275 F293T122-M295 WeakPolarHBondContact CB-O 3.32Å; T122-M295 WeakPolarHBondContact CG2-O 3.43Å; T122-M295 PolarHBondContact OG1-O 3.31Å; Y128-M295 HydrophobicContact CD1-CE 3.67Å; Y128-M295 HydrophobicContact CD1-SD 3.31Å; Y128-M295 WeakPolarHBondContact CD1-SD 3.45Å; Y128-M295 HydrophobicContact CE1-SD 3.59Å; Y128-M295 VanDerWaalsContact CE1-SD 3.59Å; Y128-M295 HydrophobicContact CG-CE 4.11Å; Y128-M295 HydrophobicContact CG-SD 4.17Å; L131-M295 HydrophobicContact CD2-CB 3.76Å; L131-M295 HydrophobicContact CD2-CE 4.32Å; L131-M295 HydrophobicContact CD2-CG 3.87Å; L131-M295 HydrophobicContact CD2-SD 4.08Å; F218-M295 HydrophobicContact CB-CB 4.35Å; F218-M295 HydrophobicContact CD1-CB 4.5Å; P219-M295 HydrophobicContact CB-SD 3.94Å; P219-M295 VanDerWaalsContact O-CB 3.24Å; P219-M295 WeakPolarHBondContact O-CB 3.16Å; P219-M295 WeakPolarHBondContact O-CG 3.35Å; P219-M295 PolarHBondContact O-N 3.34Å; C221-M295 HydrophobicContact CB-CE 4.16Å; L275-M295 HydrophobicContact CD1-CE 4.33Å; L275-M295 HydrophobicContact CD2-CE 3.47Å; L275-M295 VanDerWaalsContact CD2-CE 3.47Å; L275-M295 HydrophobicContact CD2-SD 4.12Å; F293-M295 HydrophobicContact CE2-CE 4.21Å; F293-M295 HydrophobicContact CE2-CG 4.02Å; F293-M295 HydrophobicContact CZ-CE 4.19Å
296G97.7Very high97.6Very high0 Ų03.8 Ų3.80%02%0.02CC..SBendtrans174.7-162.7-178.500000110.5T122 G193 M194 N294 N298T122-G296 WeakPolarHBondContact OG1-CA 3.29Å; G193-G296 CarbonylContact C-O 3.37Å; M194-G296 CarbonylContact C-O 3.42Å; M194-G296 WeakPolarHBondContact CA-O 3.45Å; N294-G296 VanDerWaalsContact C-N 3.32Å; G296-N298 PolarHBondContact O-N 3.32Å
297L98Very high97.5Very high11 Ų114.1 Ų4.16%0.0582%0.022CC..SBendtrans-59.3121.1173.5177.262.9000109.9F108 F111 K112 A115 L116 G193 Y216 G217 F218F108-L297 HydrophobicContact CE2-CD1 3.95Å; F108-L297 HydrophobicContact CZ-CD1 4.08Å; F108-L297 HydrophobicContact CZ-CD2 4.38Å; F111-L297 HydrophobicContact CD1-CD1 4.01Å; F111-L297 HydrophobicContact CE1-CD1 4.02Å; K112-L297 HydrophobicContact CB-CD2 3.89Å; K112-L297 HydrophobicContact CD-CD2 4.23Å; K112-L297 HydrophobicContact CG-CD2 3.63Å; A115-L297 HydrophobicContact CB-CB 4.07Å; A115-L297 HydrophobicContact CB-CD1 3.86Å; A115-L297 HydrophobicContact CB-CG 4.42Å; L116-L297 HydrophobicContact CD1-CD2 4.41Å; L116-L297 HydrophobicContact CG-CD2 4.34Å; G193-L297 VanDerWaalsContact O-CA 3.32Å; G193-L297 WeakPolarHBondContact O-CA 3.37Å; Y216-L297 HydrophobicContact CE1-CD2 4.43Å; G217-L297 WeakPolarHBondContact CA-O 3.36Å; F218-L297 PolarHBondContact N-O 2.87Å
298N98.2Very high97.4Very high0 Ų07.5 Ų7.50%04%0.044CC..EExtended strand (participates in β ladder)trans-152.3168.9174.471.217.5000112.6Y192 G193 L214 Y216 F218 N294 G296Y192-N298 CarbonylContact C-O 3.52Å; Y192-N298 WeakPolarHBondContact CA-O 3.43Å; G193-N298 VanDerWaalsContact CA-OD1 3.23Å; G193-N298 WeakPolarHBondContact CA-OD1 3.36Å; G193-N298 PolarHBondContact N-O 3.19Å; G193-N298 PolarHBondContact N-OD1 3.09Å; G193-N298 PolarHBondContact O-N 3.27Å; G193-N298 VanDerWaalsContact O-N 3.08Å; L214-N298 HydrophobicContact CD1-CB 4.09Å; Y216-N298 CarbonylContact O-C 3.57Å; Y216-N298 WeakPolarHBondContact O-CA 3.25Å; Y216-N298 VanDerWaalsContact O-CB 3.24Å; Y216-N298 WeakPolarHBondContact O-CB 3.4Å; F218-N298 WeakPolarHBondContact O-CB 3.45Å; F218-N298 PolarHBondContact O-ND2 3.4Å; N294-N298 PolarHBondContact OD1-ND2 2.71Å; N294-N298 PolarHBondContact OD1-OD1 3.1Å; G296-N298 PolarHBondContact O-N 3.32Å
299I98Very high97.3Very high0 Ų010 Ų100%05%0.053CC..EExtended strand (participates in β ladder)trans-134.2127.8171.1-48.2173.7000109I76 F108 L154 Y191 Y192 H215 Y216I76-I299 HydrophobicContact CD1-CD1 3.32Å; F108-I299 HydrophobicContact CD2-CD1 4.2Å; F108-I299 HydrophobicContact CE1-CD1 4.35Å; F108-I299 HydrophobicContact CE2-CD1 3.68Å; F108-I299 HydrophobicContact CE2-CG1 3.93Å; F108-I299 HydrophobicContact CZ-CD1 3.75Å; F108-I299 HydrophobicContact CZ-CG1 4.22Å; L154-I299 HydrophobicContact CD1-CD1 4.45Å; L154-I299 HydrophobicContact CD1-CG2 3.87Å; Y191-I299 WeakPolarHBondContact O-CA 3.22Å; Y192-I299 HydrophobicContact CD1-CD1 3.91Å; Y192-I299 HydrophobicContact CD1-CG1 3.78Å; Y192-I299 HydrophobicContact CD1-CG2 4.15Å; Y192-I299 HydrophobicContact CE1-CD1 3.85Å; Y192-I299 HydrophobicContact CE1-CG1 4.18Å; Y192-I299 HydrophobicContact CE1-CG2 4.16Å; H215-I299 WeakPolarHBondContact CB-O 3.4Å; H215-I299 PolarHBondContact N-O 2.94Å; Y216-I299 HydrophobicContact CD1-CD1 4.35Å; Y216-I299 HydrophobicContact CD1-CG1 4.32Å; Y216-I299 PolarHBondContact N-O 3.16Å; Y216-I299 PolarHBondContact O-N 3.17Å
300A98.3Very high97.3Very high0 Ų09.5 Ų9.50%05%0.051CC..EExtended strand (participates in β ladder)trans-118.2154.6169.500000111.4L190 Y191 N212 Y213 L214L190-A300 CarbonylContact C-O 3.58Å; L190-A300 WeakPolarHBondContact CA-O 3.13Å; Y191-A300 PolarHBondContact N-O 3.02Å; Y191-A300 PolarHBondContact O-N 3.31Å; N212-A300 WeakPolarHBondContact OD1-CB 3.45Å; Y213-A300 CarbonylContact O-C 3.57Å; Y213-A300 WeakPolarHBondContact O-CA 3.45Å; Y213-A300 WeakPolarHBondContact O-CB 3.49Å; L214-A300 HydrophobicContact CD1-CB 3.85Å
301E97.9Very high97.1Very high0 Ų09.3 Ų9.30%05%0.05CC..EExtended strand (participates in β ladder)trans-117.2141.3169.6-175.1169.6146.800109.1T153 L154 I164 P188 Y189 L190 N212 Y213 H215T153-E301 VanDerWaalsContact CA-OE2 3.24Å; T153-E301 WeakPolarHBondContact CA-OE2 3.41Å; T153-E301 WeakPolarHBondContact CB-OE1 3.46Å; T153-E301 PolarHBondContact OG1-OE1 2.74Å; T153-E301 PolarHBondContact OG1-OE2 3.45Å; L154-E301 PolarHBondContact N-OE2 2.75Å; I164-E301 HydrophobicContact CB-CG 4.27Å; I164-E301 HydrophobicContact CD1-CB 4.12Å; I164-E301 HydrophobicContact CD1-CG 4.07Å; I164-E301 WeakPolarHBondContact CD1-O 3.23Å; I164-E301 HydrophobicContact CG2-CG 4.12Å; P188-E301 HydrophobicContact CB-CG 4.01Å; Y189-E301 CarbonylContact O-C 3.54Å; Y189-E301 WeakPolarHBondContact O-CA 3.04Å; L190-E301 HydrophobicContact CD2-CB 3.74Å; L190-E301 HydrophobicContact CD2-CG 3.81Å; N212-E301 CarbonylContact C-O 3.58Å; N212-E301 WeakPolarHBondContact CA-O 3.44Å; Y213-E301 PolarHBondContact N-O 2.66Å; Y213-E301 PolarHBondContact O-N 3.5Å; H215-E301 VanDerWaalsContact CD2-CB 3.5Å; H215-E301 WeakPolarHBondContact CD2-CB 3.19Å; H215-E301 WeakPolarHBondContact NE2-CB 3.47Å; H215-E301 IonicContact NE2-OE2 2.86Å; H215-E301 PolarHBondContact NE2-OE2 2.82Å
302S97.2Very high96.9Very high13 Ų1310.8 Ų10.89%0.0916%0.057CC..EExtended strand (participates in β ladder)trans-148.2152.8-175.6-120.60000112.5P188 Y189 I211 N212P188-S302 WeakPolarHBondContact CA-O 3.29Å; Y189-S302 PolarHBondContact N-O 3.29Å; Y189-S302 PolarHBondContact O-N 3.45Å; I211-S302 WeakPolarHBondContact O-CA 3.26Å; I211-S302 WeakPolarHBondContact O-CB 3.31Å; I211-S302 PolarHBondContact O-OG 2.97Å; N212-S302 WeakPolarHBondContact CA-OG 3.28Å; N212-S302 VanDerWaalsContact CB-OG 3.3Å; N212-S302 WeakPolarHBondContact CB-OG 3.3Å; N212-S302 PolarHBondContact ND2-OG 3.33Å
303T96Very high96.8Very high7 Ų710.9 Ų10.94%0.0436%0.057CC..EExtended strand (participates in β ladder)trans-153169.3165.4-162.80000109.3I164 L167 V185 T187 I211I164-T303 HydrophobicContact CG2-CG2 3.53Å; L167-T303 HydrophobicContact CD1-CG2 3.72Å; V185-T303 PolarHBondContact O-OG1 3.26Å; T187-T303 PolarHBondContact O-OG1 3.17Å; I211-T303 HydrophobicContact CG2-CG2 3.9Å; I211-T303 PolarHBondContact N-O 2.89Å; I211-T303 VanDerWaalsContact N-O 3.09Å; I211-T303 PolarHBondContact O-N 3.3Å
304N95.7Very high96.6Very high11 Ų1111.1 Ų11.16%0.0596%0.06CC..EExtended strand (participates in β ladder)trans-89.6158167.4-60.9112.1000112.9L171 G184 V185 E204 L208 Y209L171-N304 HydrophobicContact CD2-CB 4.45Å; G184-N304 PolarHBondContact O-N 3.04Å; V185-N304 HydrophobicContact CG1-CB 4.35Å; V185-N304 CarbonylContact O-C 3.56Å; V185-N304 WeakPolarHBondContact O-CA 3.28Å; V185-N304 WeakPolarHBondContact O-CB 3.4Å; V185-N304 PolarHBondContact O-N 3.37Å; V185-N304 VanDerWaalsContact O-N 3.16Å; E204-N304 WeakPolarHBondContact CG-ND2 3.47Å; E204-N304 PolarHBondContact OE2-ND2 2.81Å; L208-N304 HydrophobicContact CB-CB 4.04Å; L208-N304 HydrophobicContact CD1-CB 3.77Å; L208-N304 HydrophobicContact CG-CB 4.46Å; Y209-N304 VanDerWaalsContact O-CA 3.24Å; Y209-N304 WeakPolarHBondContact O-CA 3.39Å; Y209-N304 WeakPolarHBondContact O-CB 3.5Å; Y209-N304 PolarHBondContact O-ND2 2.93Å
305F96.4Very high96.3Very high0 Ų012.7 Ų12.70%07%0.067CC..EExtended strand (participates in β ladder)trans-149.3170.1172.571.6-85.8000110.8F40 I44 L208 Y209 I211 I283 L307F40-F305 HydrophobicContact CE1-CB 4.37Å; F40-F305 HydrophobicContact CE1-CD1 4.38Å; F40-F305 AromaticContact CE1-CD2 3.69Å; F40-F305 HydrophobicContact CE1-CD2 3.69Å; F40-F305 AromaticContact CE1-CE2 4Å; F40-F305 HydrophobicContact CE1-CE2 4Å; F40-F305 AromaticContact CE1-CG 3.9Å; F40-F305 HydrophobicContact CE1-CG 3.9Å; F40-F305 HydrophobicContact CE1-CZ 4.46Å; F40-F305 AromaticContact CZ-CD1 3.87Å; F40-F305 HydrophobicContact CZ-CD1 3.87Å; F40-F305 AromaticContact CZ-CD2 3.77Å; F40-F305 HydrophobicContact CZ-CD2 3.77Å; F40-F305 AromaticContact CZ-CE1 3.81Å; F40-F305 HydrophobicContact CZ-CE1 3.81Å; F40-F305 AromaticContact CZ-CE2 3.72Å; F40-F305 HydrophobicContact CZ-CE2 3.72Å; F40-F305 AromaticContact CZ-CG 3.85Å; F40-F305 HydrophobicContact CZ-CG 3.85Å; F40-F305 AromaticContact CZ-CZ 3.73Å; F40-F305 HydrophobicContact CZ-CZ 3.73Å; I44-F305 HydrophobicContact CG1-CE2 4.39Å; I44-F305 HydrophobicContact CG1-CZ 4.31Å; I44-F305 HydrophobicContact CG2-CE2 4.08Å; I44-F305 HydrophobicContact CG2-CZ 4.11Å; L208-F305 WeakPolarHBondContact CD2-O 3.48Å; Y209-F305 VanDerWaalsContact CB-CE1 3.4Å; Y209-F305 WeakPolarHBondContact CB-O 3.13Å; Y209-F305 HydrophobicContact CD1-CE1 4.5Å; Y209-F305 AromaticContact CD1-CE2 3.78Å; Y209-F305 HydrophobicContact CD1-CE2 3.78Å; Y209-F305 AromaticContact CD1-CZ 3.67Å; Y209-F305 HydrophobicContact CD1-CZ 3.67Å; Y209-F305 HydrophobicContact CD2-CD2 4.43Å; Y209-F305 HydrophobicContact CD2-CE2 4.23Å; Y209-F305 WeakPolarHBondContact CD2-O 3.48Å; Y209-F305 HydrophobicContact CG-CD2 4.15Å; Y209-F305 HydrophobicContact CG-CE1 4.24Å; Y209-F305 AromaticContact CG-CE2 3.65Å; Y209-F305 HydrophobicContact CG-CE2 3.65Å; Y209-F305 AromaticContact CG-CZ 3.71Å; Y209-F305 HydrophobicContact CG-CZ 3.71Å; Y209-F305 PolarHBondContact N-O 3.03Å; Y209-F305 VanDerWaalsContact N-O 3.17Å; Y209-F305 PolarHBondContact O-N 2.71Å; Y209-F305 VanDerWaalsContact O-N 3.12Å; I211-F305 HydrophobicContact CB-CD1 4.19Å; I211-F305 HydrophobicContact CB-CE1 4.02Å; I211-F305 HydrophobicContact CG2-CD1 4.07Å; I211-F305 HydrophobicContact CG2-CE1 4.41Å; I283-F305 HydrophobicContact CD1-CE1 4.26Å; I283-F305 HydrophobicContact CD1-CZ 4.44Å; I283-F305 HydrophobicContact CG2-CE1 4.21Å; I283-F305 HydrophobicContact CG2-CZ 3.87Å; F305-L307 HydrophobicContact CE2-CG 4.37Å
306A96.6Very high96Very high0 Ų015 Ų150%08%0.078CC..  trans-134.4140.3175.600000112.6S169 V170 L171 L208 W310S169-A306 WeakPolarHBondContact CB-O 3.34Å; V170-A306 HydrophobicContact CB-CB 4.01Å; V170-A306 WeakPolarHBondContact CB-O 3.39Å; V170-A306 HydrophobicContact CG1-CB 4.29Å; V170-A306 PolarHBondContact N-O 3.5Å; L171-A306 HydrophobicContact CB-CB 3.87Å; L208-A306 HydrophobicContact CD2-CB 3.9Å; A306-W310 HydrophobicContact CB-CB 4.18Å; A306-W310 HydrophobicContact CB-CD2 3.84Å; A306-W310 HydrophobicContact CB-CE3 3.47Å; A306-W310 VanDerWaalsContact CB-CE3 3.47Å; A306-W310 HydrophobicContact CB-CG 4.15Å; A306-W310 HydrophobicContact CB-CZ3 4.14Å
307L96.4Very high95.6Very high8 Ų816 Ų164%0.0429%0.086CC..  trans-102.6168.3156.2-60.2-178.4000109.2I44 E48 Y209 F305 R309 W310I44-L307 HydrophobicContact CB-CD1 4.14Å; I44-L307 HydrophobicContact CG2-CD1 3.76Å; E48-L307 HydrophobicContact CG-CD1 4.17Å; Y209-L307 HydrophobicContact CE1-CD1 4.45Å; Y209-L307 HydrophobicContact CE2-CB 4.1Å; Y209-L307 HydrophobicContact CE2-CG 4.41Å; F305-L307 HydrophobicContact CE2-CG 4.37Å; L307-R309 PolarHBondContact O-N 3.23Å; L307-R309 VanDerWaalsContact O-N 3.1Å; L307-W310 WeakPolarHBondContact O-CB 3.49Å; L307-W310 PolarHBondContact O-N 3.48Å
308T94.4Very high95Very high87 Ų8722 Ų2253%0.53411%0.111SC..THydrogen-bonded Turntrans-55.9-32.2-17849.90000113.2V170 W310 I311 F338V170-T308 HydrophobicContact CG2-CG2 3.91Å; T308-W310 PolarHBondContact O-N 3.02Å; T308-I311 WeakPolarHBondContact O-CB 3.36Å; T308-I311 WeakPolarHBondContact O-CG1 3.46Å; T308-I311 PolarHBondContact O-N 3.19Å; T308-I311 VanDerWaalsContact O-N 3.12Å; T308-F338 HydrophobicContact CG2-CD1 3.97Å; T308-F338 HydrophobicContact CG2-CE1 4.39Å
309R95.1Very high94.3Very high56 Ų5624.5 Ų24.521%0.21112%0.124CC..THydrogen-bonded Turntrans-58.1-28.8174.8-166.7176.771.686.76113.8E48 Y209 L307 I311 Y313E48-R309 VanDerWaalsContact CD-NE 3.29Å; E48-R309 IonicContact OE1-CZ 3.46Å; E48-R309 IonicContact OE1-NE 2.8Å; E48-R309 PolarHBondContact OE1-NE 3.18Å; E48-R309 IonicContact OE1-NH2 2.73Å; E48-R309 PolarHBondContact OE1-NH2 2.94Å; E48-R309 WeakPolarHBondContact OE2-CD 3.45Å; E48-R309 IonicContact OE2-CZ 3.47Å; E48-R309 IonicContact OE2-NE 3.19Å; E48-R309 PolarHBondContact OE2-NE 3.41Å; E48-R309 IonicContact OE2-NH2 2.88Å; Y209-R309 PolarHBondContact OH-NE 3.07Å; Y209-R309 PolarHBondContact OH-NH2 2.88Å; L307-R309 PolarHBondContact O-N 3.23Å; L307-R309 VanDerWaalsContact O-N 3.1Å; R309-I311 VanDerWaalsContact C-N 3.28Å; R309-I311 PolarHBondContact O-N 3.37Å; R309-Y313 PolarHBondContact NH1-OH 3Å; R309-Y313 WeakPolarHBondContact O-CD2 3.26Å
310W97Very high93.6Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-67.5-25.6177.6161.478.9000113V206 D207 L208 Y209 P286 A306 L307 T308 E312 Y313 G314 I329 M331 F334V206-W310 HydrophobicContact CB-CZ2 4.48Å; V206-W310 HydrophobicContact CG1-CZ2 4.07Å; V206-W310 PolarHBondContact O-NE1 2.81Å; D207-W310 VanDerWaalsContact O-CD1 3.3Å; L208-W310 HydrophobicContact CD2-CD2 3.67Å; L208-W310 HydrophobicContact CD2-CE3 4.3Å; L208-W310 HydrophobicContact CD2-CG 4Å; L208-W310 HydrophobicContact CD2-CH2 4.29Å; L208-W310 HydrophobicContact CD2-CZ2 3.68Å; L208-W310 HydrophobicContact CG-CZ2 4.14Å; Y209-W310 HydrophobicContact CD2-CB 4.26Å; Y209-W310 HydrophobicContact CE2-CB 3.79Å; P286-W310 HydrophobicContact CG-CB 4.26Å; A306-W310 HydrophobicContact CB-CB 4.18Å; A306-W310 HydrophobicContact CB-CD2 3.84Å; A306-W310 HydrophobicContact CB-CE3 3.47Å; A306-W310 VanDerWaalsContact CB-CE3 3.47Å; A306-W310 HydrophobicContact CB-CG 4.15Å; A306-W310 HydrophobicContact CB-CZ3 4.14Å; L307-W310 WeakPolarHBondContact O-CB 3.49Å; L307-W310 PolarHBondContact O-N 3.48Å; T308-W310 PolarHBondContact O-N 3.02Å; W310-E312 PolarHBondContact O-N 3.26Å; W310-E312 VanDerWaalsContact O-N 3.1Å; W310-Y313 CarbonylContact O-C 3.51Å; W310-Y313 WeakPolarHBondContact O-CA 3.47Å; W310-Y313 WeakPolarHBondContact O-CB 3.34Å; W310-Y313 PolarHBondContact O-N 2.62Å; W310-G314 PolarHBondContact O-N 2.78Å; W310-I329 HydrophobicContact CH2-CG2 4.25Å; W310-M331 HydrophobicContact CH2-CE 3.78Å; W310-M331 HydrophobicContact CH2-SD 3.66Å; W310-M331 HydrophobicContact CZ2-CE 4.21Å; W310-M331 HydrophobicContact CZ2-SD 3.94Å; W310-M331 HydrophobicContact CZ3-CE 3.98Å; W310-M331 HydrophobicContact CZ3-SD 4.44Å; W310-F334 HydrophobicContact CH2-CD1 4.35Å; W310-F334 HydrophobicContact CH2-CD2 4.29Å; W310-F334 HydrophobicContact CH2-CE1 4.22Å; W310-F334 HydrophobicContact CH2-CE2 4.17Å; W310-F334 HydrophobicContact CH2-CG 4.37Å; W310-F334 HydrophobicContact CH2-CZ 4.13Å; W310-F334 AromaticContact CZ3-CD1 3.66Å; W310-F334 HydrophobicContact CZ3-CD1 3.66Å; W310-F334 HydrophobicContact CZ3-CD2 4.33Å; W310-F334 AromaticContact CZ3-CE1 3.75Å; W310-F334 HydrophobicContact CZ3-CE1 3.75Å; W310-F334 HydrophobicContact CZ3-CE2 4.42Å; W310-F334 AromaticContact CZ3-CG 3.95Å; W310-F334 HydrophobicContact CZ3-CG 3.95Å; W310-F334 HydrophobicContact CZ3-CZ 4.14Å
311I95.2Very high92.6Very high1 Ų130.9 Ų30.91%0.00516%0.163CC..Hα-helixtrans-56.7-37.1-173.6-61.9176.6000111.4V170 T308 R309 G314 K315 M331 F334 V335 F338V170-I311 HydrophobicContact CG1-CD1 4.31Å; V170-I311 HydrophobicContact CG1-CG1 4.5Å; T308-I311 WeakPolarHBondContact O-CB 3.36Å; T308-I311 WeakPolarHBondContact O-CG1 3.46Å; T308-I311 PolarHBondContact O-N 3.19Å; T308-I311 VanDerWaalsContact O-N 3.12Å; R309-I311 VanDerWaalsContact C-N 3.28Å; R309-I311 PolarHBondContact O-N 3.37Å; I311-G314 PolarHBondContact O-N 2.68Å; I311-K315 WeakPolarHBondContact O-CG 3.41Å; I311-K315 PolarHBondContact O-N 2.71Å; I311-K315 VanDerWaalsContact O-N 3.09Å; I311-M331 HydrophobicContact CG2-CE 4.18Å; I311-F334 HydrophobicContact CD1-CB 4.43Å; I311-F334 HydrophobicContact CG1-CB 4.42Å; I311-V335 HydrophobicContact CG2-CG2 4.2Å; I311-F338 HydrophobicContact CD1-CB 3.51Å; I311-F338 HydrophobicContact CD1-CD2 3.77Å; I311-F338 HydrophobicContact CD1-CG 3.78Å
312E94.7Very high91.5Very high32 Ų3233.2 Ų33.215%0.1518%0.179CC..Hα-helixtrans-72.6-28174.8-61-51.2149.500114.3W310 K315 H316 Q339 P353 P356W310-E312 PolarHBondContact O-N 3.26Å; W310-E312 VanDerWaalsContact O-N 3.1Å; E312-K315 IonicContact OE1-NZ 2.58Å; E312-K315 PolarHBondContact OE1-NZ 3.47Å; E312-K315 WeakPolarHBondContact OE2-CD 3.41Å; E312-K315 IonicContact OE2-NZ 3.51Å; E312-K315 PolarHBondContact OE2-NZ 3.26Å; E312-H316 PolarHBondContact O-ND1 2.94Å; E312-Q339 PolarHBondContact OE1-NE2 3.3Å; E312-Q339 PolarHBondContact OE1-OE1 3.06Å; E312-P353 WeakPolarHBondContact OE2-CG 3.48Å; E312-P356 HydrophobicContact CB-CG 3.51Å
313Y95.4Very high90.4Very high1 Ų141.9 Ų41.90%0.00421%0.21CC..Hα-helixtrans-70.4-48.7169.6-70.9-95.5000110.1P286 Y287 R309 W310 K315 H316 A317 P356 L357P286-Y313 HydrophobicContact CB-CD1 3.76Å; P286-Y313 HydrophobicContact CB-CD2 3.63Å; P286-Y313 HydrophobicContact CB-CE1 3.91Å; P286-Y313 HydrophobicContact CB-CE2 3.8Å; P286-Y313 HydrophobicContact CB-CG 3.61Å; P286-Y313 HydrophobicContact CG-CD2 4.34Å; Y287-Y313 HydrophobicContact CD2-CD1 4.2Å; Y287-Y313 HydrophobicContact CG-CD1 4.47Å; Y287-Y313 HydrophobicContact CG-CE1 4.49Å; R309-Y313 PolarHBondContact NH1-OH 3Å; R309-Y313 WeakPolarHBondContact O-CD2 3.26Å; W310-Y313 CarbonylContact O-C 3.51Å; W310-Y313 WeakPolarHBondContact O-CA 3.47Å; W310-Y313 WeakPolarHBondContact O-CB 3.34Å; W310-Y313 PolarHBondContact O-N 2.62Å; Y313-K315 VanDerWaalsContact C-N 3.31Å; Y313-K315 PolarHBondContact O-N 3.34Å; Y313-H316 CarbonylContact O-C 3.58Å; Y313-H316 WeakPolarHBondContact O-CA 3.38Å; Y313-H316 PolarHBondContact O-N 3.31Å; Y313-A317 PolarHBondContact O-N 3.17Å; Y313-P356 HydrophobicContact CD1-CB 4.42Å; Y313-P356 HydrophobicContact CD1-CG 4.44Å; Y313-P356 HydrophobicContact CD2-CB 3.98Å; Y313-P356 HydrophobicContact CD2-CG 3.71Å; Y313-P356 HydrophobicContact CE1-CB 3.9Å; Y313-P356 HydrophobicContact CE1-CG 4.4Å; Y313-P356 HydrophobicContact CE2-CB 3.38Å; Y313-P356 HydrophobicContact CE2-CG 3.65Å; Y313-P356 HydrophobicContact CG-CB 4.47Å; Y313-P356 HydrophobicContact CG-CG 4.12Å; Y313-P356 WeakPolarHBondContact OH-CB 3.04Å; Y313-L357 HydrophobicContact CE1-CG 4.48Å
314G93.8Very high88.8Confident6 Ų648.5 Ų48.56%0.06225%0.245CC..Hα-helixtrans-59.9-35.2-178.700000114W310 I311 H316 A317W310-G314 PolarHBondContact O-N 2.78Å; I311-G314 PolarHBondContact O-N 2.68Å; G314-H316 PolarHBondContact O-N 2.79Å; G314-A317 PolarHBondContact O-N 2.91Å
315K91.8Very high87.5Confident33 Ų3355.7 Ų55.714%0.14328%0.284CS..THydrogen-bonded Turntrans-61.5-29171.2-73.8176.5-168.4165.90114.1I311 E312 Y313 V335I311-K315 WeakPolarHBondContact O-CG 3.41Å; I311-K315 PolarHBondContact O-N 2.71Å; I311-K315 VanDerWaalsContact O-N 3.09Å; E312-K315 IonicContact OE1-NZ 2.58Å; E312-K315 PolarHBondContact OE1-NZ 3.47Å; E312-K315 WeakPolarHBondContact OE2-CD 3.41Å; E312-K315 IonicContact OE2-NZ 3.51Å; E312-K315 PolarHBondContact OE2-NZ 3.26Å; Y313-K315 VanDerWaalsContact C-N 3.31Å; Y313-K315 PolarHBondContact O-N 3.34Å; K315-V335 HydrophobicContact CD-CG2 4.41Å; K315-V335 VanDerWaalsContact CE-CG2 3.48Å; K315-V335 HydrophobicContact CG-CG2 4.25Å
316H91.3Very high86.6Confident50 Ų5056.9 Ų56.923%0.23129%0.291CS..THydrogen-bonded Turntrans-104-7.2-175.7-70.197.3000113.6E312 Y313 G314 K318 P353 H355E312-H316 PolarHBondContact O-ND1 2.94Å; Y313-H316 CarbonylContact O-C 3.58Å; Y313-H316 WeakPolarHBondContact O-CA 3.38Å; Y313-H316 PolarHBondContact O-N 3.31Å; G314-H316 PolarHBondContact O-N 2.79Å; H316-K318 PolarHBondContact O-N 2.89Å; H316-P353 PolarHBondContact CE1-O 3.03Å; H316-P353 PolarHBondContact NE2-O 3.14Å; H316-H355 AromaticContact CG-CD2 3.95Å
317A89.8Confident85.8Confident20 Ų2058.4 Ų58.417%0.16530%0.3CS..PPolyproline II helixtrans-62.6116.5-172.300000111.8V206 D207 Y313 G314V206-A317 HydrophobicContact CB-CB 4.41Å; V206-A317 HydrophobicContact CG1-CB 3.75Å; D207-A317 WeakPolarHBondContact OD2-CA 3.37Å; D207-A317 WeakPolarHBondContact OD2-CB 3.38Å; Y313-A317 PolarHBondContact O-N 3.17Å; G314-A317 PolarHBondContact O-N 2.91Å
318K85Confident85.2Confident136 Ų13663.4 Ų63.459%0.59132%0.321SS*.PPolyproline II helixtrans-81.5132.7173-57175.1-176.2167.60109.5C250 R253 H316C250-K318 VanDerWaalsContact SG-CB 3.52Å; R253-K318 PolarHBondContact NE-O 2.86Å; R253-K318 PolarHBondContact NH2-O 2.58Å; H316-K318 PolarHBondContact O-N 2.89Å
319I83Confident84.8Confident54 Ų5460.2 Ų60.228%0.27730%0.301SS..PPolyproline II helixtrans-103.9160.2178.358.7175.6000111.6C250 T321 T326 K328C250-I319 PolarHBondContact SG-O 3.37Å; C250-I319 VanDerWaalsContact SG-O 3.37Å; I319-T321 PolarHBondContact O-N 3.16Å; I319-T326 HydrophobicContact CB-CG2 4.13Å; I319-K328 HydrophobicContact CD1-CD 4.33Å; I319-K328 HydrophobicContact CD1-CG 3.72Å
320C83.9Confident84.5Confident5 Ų561.6 Ų61.63%0.03432%0.318CS..PPolyproline II helixtrans-63.9134.2162.9132.60000108.6C322 W323 T326C320-C322 HydrophobicContact CB-CB 4.37Å; C320-C322 WeakPolarHBondContact CB-SG 3.48Å; C320-C322 VanDerWaalsContact SG-CA 3.57Å; C320-C322 WeakPolarHBondContact SG-CB 3.31Å; C320-C322 PolarHBondContact SG-N 2.85Å; C320-C322 CovalentContact SG-SG 2.06Å; C320-C322 PolarHBondContact SG-SG 3.32Å; C320-W323 PolarHBondContact SG-N 2.81Å; C320-T326 HydrophobicContact CB-CG2 4.34Å; C320-T326 PolarHBondContact SG-OG1 3.13Å
321T77.5Confident84.3Confident128 Ų12862.3 Ų62.379%0.78532%0.321SS*.SBendtrans-10416.8170.8590000111.4I319I319-T321 PolarHBondContact O-N 3.16Å
322C75Confident84.2Confident49 Ų4964 Ų6433%0.33133%0.331SS..SBendtrans-93.8-40.1-169.4670000112.5C248 H254 C320C248-C322 HydrophobicContact CB-CB 4Å; H254-C322 PolarHBondContact NE2-SG 3Å; C320-C322 HydrophobicContact CB-CB 4.37Å; C320-C322 WeakPolarHBondContact CB-SG 3.48Å; C320-C322 VanDerWaalsContact SG-CA 3.57Å; C320-C322 WeakPolarHBondContact SG-CB 3.31Å; C320-C322 PolarHBondContact SG-N 2.85Å; C320-C322 CovalentContact SG-SG 2.06Å; C320-C322 PolarHBondContact SG-SG 3.32Å
323W73.4Confident84.1Confident196 Ų19663.2 Ų63.274%0.74233%0.328SS*.  trans-128.9136.5-177.8-67.75.9000109C320 D325 T326C320-W323 PolarHBondContact SG-N 2.81Å; W323-D325 PolarHBondContact O-N 2.98Å; W323-T326 PolarHBondContact O-N 3.1Å; W323-T326 PolarHBondContact O-OG1 3.47Å
324D63.8Low84Confident145 Ų14563.2 Ų63.278%0.77533%0.328SS*.THydrogen-bonded Turntrans-66.3-37.4-173.2-72.6-45.7000113.8T326 K328D324-T326 PolarHBondContact O-N 3.11Å; D324-K328 PolarHBondContact O-NZ 2.95Å
325D68.2Low84Confident163 Ų16363 Ų6387%0.87233%0.326SS*.THydrogen-bonded Turntrans-70.510.5-178.4-65.3-24.7000114.5W323 V327W323-D325 PolarHBondContact O-N 2.98Å; D325-V327 PolarHBondContact O-N 2.74Å
326T77.1Confident84Confident25 Ų2567.3 Ų67.315%0.15334%0.341CS..SBendtrans-65.2131.9174-57.50000110.6I319 C320 W323 D324 K328I319-T326 HydrophobicContact CB-CG2 4.13Å; C320-T326 HydrophobicContact CB-CG2 4.34Å; C320-T326 PolarHBondContact SG-OG1 3.13Å; W323-T326 PolarHBondContact O-N 3.1Å; W323-T326 PolarHBondContact O-OG1 3.47Å; D324-T326 PolarHBondContact O-N 3.11Å; T326-K328 WeakPolarHBondContact O-CG 3.44Å; T326-K328 PolarHBondContact O-N 3.49Å
327V79.6Confident84Confident31 Ų3171.6 Ų71.619%0.18836%0.355CS..  trans-55.7125.1176.8176.30000110.6I182 V185 D205 V206 D325 I329I182-V327 HydrophobicContact CG2-CG1 4.35Å; I182-V327 HydrophobicContact CG2-CG2 4.45Å; V185-V327 HydrophobicContact CG2-CG1 4.09Å; V185-V327 HydrophobicContact CG2-CG2 4.19Å; D205-V327 HydrophobicContact CB-CB 3.94Å; D205-V327 HydrophobicContact CB-CG1 4.04Å; D205-V327 HydrophobicContact CB-CG2 4.28Å; V206-V327 HydrophobicContact CG2-CG1 4.27Å; D325-V327 PolarHBondContact O-N 2.74Å; V327-I329 HydrophobicContact CG1-CG1 4.28Å
328K83.3Confident84.1Confident113 Ų11373.8 Ų73.849%0.49136%0.361SS..  trans-127.3123.1177.7-70.3151.2-172.3158.20108I319 D324 T326I319-K328 HydrophobicContact CD1-CD 4.33Å; I319-K328 HydrophobicContact CD1-CG 3.72Å; D324-K328 PolarHBondContact O-NZ 2.95Å; T326-K328 WeakPolarHBondContact O-CG 3.44Å; T326-K328 PolarHBondContact O-N 3.49Å
329I87.3Confident84.5Confident21 Ų2168.7 Ų68.711%0.10834%0.339CS..  trans-111.4127.3176.1-62176.6000108.2L171 F175 I182 V185 V206 L208 W310 V327 M331 F334L171-I329 HydrophobicContact CD1-CD1 4.34Å; F175-I329 HydrophobicContact CE1-CG2 4.05Å; F175-I329 HydrophobicContact CZ-CD1 4.07Å; F175-I329 HydrophobicContact CZ-CG1 4.06Å; F175-I329 HydrophobicContact CZ-CG2 3.87Å; I182-I329 HydrophobicContact CD1-CG1 4.27Å; V185-I329 HydrophobicContact CG1-CD1 4.19Å; V206-I329 HydrophobicContact CB-CD1 4.09Å; V206-I329 HydrophobicContact CB-CG1 4.47Å; V206-I329 HydrophobicContact CG1-CB 4.34Å; V206-I329 HydrophobicContact CG2-CB 4.04Å; V206-I329 HydrophobicContact CG2-CD1 3.81Å; V206-I329 HydrophobicContact CG2-CG1 3.77Å; L208-I329 HydrophobicContact CD1-CD1 3.8Å; W310-I329 HydrophobicContact CH2-CG2 4.25Å; V327-I329 HydrophobicContact CG1-CG1 4.28Å; I329-M331 HydrophobicContact CG2-SD 4.44Å; I329-M331 PolarHBondContact O-N 3.16Å; I329-F334 HydrophobicContact CG2-CD2 4.4Å; I329-F334 HydrophobicContact CG2-CE2 3.56Å; I329-F334 HydrophobicContact CG2-CZ 4.18Å
330C89.4Confident84.9Confident84 Ų8469.8 Ų69.857%0.56835%0.35SS*.  trans-74.1120.1174.3-171.40000109.3D332 P333 F334C330-D332 VanDerWaalsContact C-N 3.35Å; C330-P333 WeakPolarHBondContact O-CD 3.39Å; C330-F334 WeakPolarHBondContact O-CD2 3.42Å; C330-F334 WeakPolarHBondContact O-CE2 3.32Å
331M92.8Very high85.3Confident15 Ų1575.9 Ų75.97%0.07438%0.378CS..  trans-80.3-13.2-178.9-64.1-55.5-61.900113.5W310 I311 I329 F334 V335 W346W310-M331 HydrophobicContact CH2-CE 3.78Å; W310-M331 HydrophobicContact CH2-SD 3.66Å; W310-M331 HydrophobicContact CZ2-CE 4.21Å; W310-M331 HydrophobicContact CZ2-SD 3.94Å; W310-M331 HydrophobicContact CZ3-CE 3.98Å; W310-M331 HydrophobicContact CZ3-SD 4.44Å; I311-M331 HydrophobicContact CG2-CE 4.18Å; I329-M331 HydrophobicContact CG2-SD 4.44Å; I329-M331 PolarHBondContact O-N 3.16Å; M331-F334 HydrophobicContact CE-CB 4.2Å; M331-F334 HydrophobicContact CE-CD2 4.46Å; M331-F334 HydrophobicContact CE-CG 4.46Å; M331-F334 PolarHBondContact O-N 2.64Å; M331-F334 HydrophobicContact SD-CD2 4.35Å; M331-V335 HydrophobicContact CB-CG2 4.48Å; M331-V335 WeakPolarHBondContact O-CG2 3.12Å; M331-V335 PolarHBondContact O-N 3.03Å; M331-W346 HydrophobicContact CB-CH2 3.93Å; M331-W346 HydrophobicContact CB-CZ2 3.64Å
332D91.9Very high85.9Confident37 Ų3772.8 Ų72.820%0.19836%0.357CS..Hα-helixtrans-51-50.3-178-10165.3000113.4C330 R336 F343 W346 K347C330-D332 VanDerWaalsContact C-N 3.35Å; D332-R336 WeakPolarHBondContact O-CB 3.35Å; D332-R336 PolarHBondContact O-N 3.5Å; D332-R336 IonicContact OD2-NH2 2.78Å; D332-F343 HydrophobicContact CB-CE2 4.25Å; D332-F343 WeakPolarHBondContact O-CE2 3.49Å; D332-F343 WeakPolarHBondContact OD2-CZ 3.4Å; D332-W346 HydrophobicContact CB-CH2 4.37Å; D332-W346 HydrophobicContact CB-CZ3 4.29Å; D332-W346 VanDerWaalsContact OD1-CH2 3.26Å; D332-W346 WeakPolarHBondContact OD1-CH2 3.3Å; D332-W346 VanDerWaalsContact OD1-CZ3 3.27Å; D332-W346 WeakPolarHBondContact OD1-CZ3 3.24Å; D332-K347 IonicContact OD2-NZ 3.54Å; D332-K347 PolarHBondContact OD2-NZ 3.07Å
333P92.6Very high86.6Confident16 Ų1671.7 Ų71.710%0.10435%0.346CS..Hα-helixtrans-63.7-42-179.7-24.336.8000112.4V174 E178 C330 R336 R337V174-P333 HydrophobicContact CG1-CB 3.6Å; E178-P333 HydrophobicContact CG-CB 4.01Å; E178-P333 HydrophobicContact CG-CG 4Å; C330-P333 WeakPolarHBondContact O-CD 3.39Å; P333-R336 PolarHBondContact O-N 3.03Å; P333-R337 WeakPolarHBondContact O-CB 3.39Å; P333-R337 PolarHBondContact O-N 3.12Å
334F94.3Very high87.3Confident1 Ų167.4 Ų67.40%0.00434%0.338CS..Hα-helixtrans-63.6-49.1-179.8-60.6-83000112.3V170 L171 V174 F175 W310 I311 I329 C330 M331 R337 F338V170-F334 HydrophobicContact CG1-CD1 3.87Å; V170-F334 HydrophobicContact CG1-CE1 4.21Å; L171-F334 HydrophobicContact CD1-CE1 4.39Å; L171-F334 HydrophobicContact CD1-CZ 4.03Å; V174-F334 HydrophobicContact CB-CD1 4.04Å; V174-F334 HydrophobicContact CB-CE1 3.56Å; V174-F334 HydrophobicContact CB-CZ 3.95Å; V174-F334 HydrophobicContact CG1-CD1 4.04Å; V174-F334 HydrophobicContact CG1-CD2 4.31Å; V174-F334 HydrophobicContact CG1-CE1 3.7Å; V174-F334 HydrophobicContact CG1-CE2 3.99Å; V174-F334 HydrophobicContact CG1-CG 4.35Å; V174-F334 HydrophobicContact CG1-CZ 3.68Å; V174-F334 HydrophobicContact CG2-CD1 3.77Å; V174-F334 HydrophobicContact CG2-CE1 3.79Å; F175-F334 AromaticContact CD1-CZ 3.95Å; F175-F334 HydrophobicContact CD1-CZ 3.95Å; F175-F334 AromaticContact CE1-CE2 3.89Å; F175-F334 HydrophobicContact CE1-CE2 3.89Å; F175-F334 AromaticContact CE1-CZ 3.56Å; F175-F334 HydrophobicContact CE1-CZ 3.56Å; F175-F334 HydrophobicContact CZ-CZ 4.29Å; W310-F334 HydrophobicContact CH2-CD1 4.35Å; W310-F334 HydrophobicContact CH2-CD2 4.29Å; W310-F334 HydrophobicContact CH2-CE1 4.22Å; W310-F334 HydrophobicContact CH2-CE2 4.17Å; W310-F334 HydrophobicContact CH2-CG 4.37Å; W310-F334 HydrophobicContact CH2-CZ 4.13Å; W310-F334 AromaticContact CZ3-CD1 3.66Å; W310-F334 HydrophobicContact CZ3-CD1 3.66Å; W310-F334 HydrophobicContact CZ3-CD2 4.33Å; W310-F334 AromaticContact CZ3-CE1 3.75Å; W310-F334 HydrophobicContact CZ3-CE1 3.75Å; W310-F334 HydrophobicContact CZ3-CE2 4.42Å; W310-F334 AromaticContact CZ3-CG 3.95Å; W310-F334 HydrophobicContact CZ3-CG 3.95Å; W310-F334 HydrophobicContact CZ3-CZ 4.14Å; I311-F334 HydrophobicContact CD1-CB 4.43Å; I311-F334 HydrophobicContact CG1-CB 4.42Å; I329-F334 HydrophobicContact CG2-CD2 4.4Å; I329-F334 HydrophobicContact CG2-CE2 3.56Å; I329-F334 HydrophobicContact CG2-CZ 4.18Å; C330-F334 WeakPolarHBondContact O-CD2 3.42Å; C330-F334 WeakPolarHBondContact O-CE2 3.32Å; M331-F334 HydrophobicContact CE-CB 4.2Å; M331-F334 HydrophobicContact CE-CD2 4.46Å; M331-F334 HydrophobicContact CE-CG 4.46Å; M331-F334 PolarHBondContact O-N 2.64Å; M331-F334 HydrophobicContact SD-CD2 4.35Å; F334-R337 PolarHBondContact O-N 2.69Å; F334-F338 WeakPolarHBondContact O-CD2 3.48Å; F334-F338 PolarHBondContact O-N 3.1Å
335V92.3Very high88.4Confident0 Ų063.5 Ų63.50%032%0.317CS..Hα-helixtrans-65.4-42.2178.5-176.40000110I311 K315 M331 R337 Q339 F343 W346I311-V335 HydrophobicContact CG2-CG2 4.2Å; K315-V335 HydrophobicContact CD-CG2 4.41Å; K315-V335 VanDerWaalsContact CE-CG2 3.48Å; K315-V335 HydrophobicContact CG-CG2 4.25Å; M331-V335 HydrophobicContact CB-CG2 4.48Å; M331-V335 WeakPolarHBondContact O-CG2 3.12Å; M331-V335 PolarHBondContact O-N 3.03Å; V335-R337 VanDerWaalsContact C-N 3.33Å; V335-R337 PolarHBondContact O-N 3.44Å; V335-Q339 HydrophobicContact CG1-CB 4.24Å; V335-Q339 CarbonylContact O-C 3.38Å; V335-Q339 VanDerWaalsContact O-CA 3.27Å; V335-Q339 WeakPolarHBondContact O-CA 3.37Å; V335-Q339 PolarHBondContact O-N 3.46Å; V335-Q339 VanDerWaalsContact O-O 3.12Å; V335-F343 HydrophobicContact CB-CD2 4.17Å; V335-F343 HydrophobicContact CG1-CB 4.21Å; V335-F343 HydrophobicContact CG1-CD2 4.13Å; V335-W346 HydrophobicContact CB-CD2 4.26Å; V335-W346 HydrophobicContact CB-CE3 3.96Å; V335-W346 HydrophobicContact CB-CZ3 4.29Å; V335-W346 HydrophobicContact CG1-CB 4.29Å; V335-W346 HydrophobicContact CG1-CD2 4.08Å; V335-W346 HydrophobicContact CG1-CE3 3.94Å; V335-W346 HydrophobicContact CG1-CG 4.22Å; V335-W346 HydrophobicContact CG2-CD2 3.93Å; V335-W346 HydrophobicContact CG2-CE3 4.06Å; V335-W346 HydrophobicContact CG2-CG 4.46Å; V335-W346 HydrophobicContact CG2-CH2 4.48Å; V335-W346 HydrophobicContact CG2-CZ2 4.35Å; V335-W346 HydrophobicContact CG2-CZ3 4.34Å
336R91.8Very high89.2Confident124 Ų12458 Ų5847%0.46828%0.284SS..Hα-helixtrans-61.4-38.5176.5-168-172-54.3152.110113D332 P333 F343D332-R336 WeakPolarHBondContact O-CB 3.35Å; D332-R336 PolarHBondContact O-N 3.5Å; D332-R336 IonicContact OD2-NH2 2.78Å; P333-R336 PolarHBondContact O-N 3.03Å; R336-F343 HydrophobicContact CB-CD2 3.78Å; R336-F343 HydrophobicContact CB-CE2 3.87Å; R336-F343 HydrophobicContact CB-CG 4.23Å; R336-F343 HydrophobicContact CB-CZ 4.39Å; R336-F343 HydrophobicContact CG-CD2 4.46Å; R336-F343 HydrophobicContact CG-CE2 4.49Å; R336-F343 HydrophobicContact CG-CG 4.49Å
337R92.1Very high89.6Confident141 Ų14162.5 Ų62.553%0.53230%0.301SS..Hα-helixtrans-80.9-39.1-173.5-170.566.1163.2103.8-3.7113.5E177 P333 F334 V335E177-R337 IonicContact OE1-CZ 2.68Å; E177-R337 IonicContact OE1-NE 2.75Å; E177-R337 PolarHBondContact OE1-NE 3.31Å; E177-R337 IonicContact OE1-NH2 2.86Å; E177-R337 PolarHBondContact OE1-NH2 3.41Å; E177-R337 IonicContact OE2-NE 3Å; E177-R337 PolarHBondContact OE2-NE 3.41Å; E177-R337 VanDerWaalsContact OE2-NE 3.15Å; P333-R337 WeakPolarHBondContact O-CB 3.39Å; P333-R337 PolarHBondContact O-N 3.12Å; F334-R337 PolarHBondContact O-N 2.69Å; V335-R337 VanDerWaalsContact C-N 3.33Å; V335-R337 PolarHBondContact O-N 3.44Å
338F93Very high89.8Confident65 Ų6566.4 Ų66.429%0.28532%0.321SS..Hα-helixtrans-112.7-13.5-171.3-63.9-81.5000114.4V170 V174 T308 I311 F334V170-F338 HydrophobicContact CB-CE2 4.47Å; V170-F338 HydrophobicContact CB-CZ 4.34Å; V170-F338 HydrophobicContact CG1-CD2 4.1Å; V170-F338 HydrophobicContact CG1-CE2 3.64Å; V170-F338 HydrophobicContact CG1-CZ 3.98Å; V170-F338 HydrophobicContact CG2-CE1 4.1Å; V170-F338 HydrophobicContact CG2-CE2 4.42Å; V170-F338 HydrophobicContact CG2-CZ 3.95Å; V174-F338 HydrophobicContact CG2-CE2 3.7Å; T308-F338 HydrophobicContact CG2-CD1 3.97Å; T308-F338 HydrophobicContact CG2-CE1 4.39Å; I311-F338 HydrophobicContact CD1-CB 3.51Å; I311-F338 HydrophobicContact CD1-CD2 3.77Å; I311-F338 HydrophobicContact CD1-CG 3.78Å; F334-F338 WeakPolarHBondContact O-CD2 3.48Å; F334-F338 PolarHBondContact O-N 3.1Å
339Q92.1Very high89.6Confident29 Ų2963.9 Ų63.914%0.13633%0.327CS..  trans-142.149.9-179.2-59.5177-27.700111.2E312 V335 E341 L342 F343E312-Q339 PolarHBondContact OE1-NE2 3.3Å; E312-Q339 PolarHBondContact OE1-OE1 3.06Å; V335-Q339 HydrophobicContact CG1-CB 4.24Å; V335-Q339 CarbonylContact O-C 3.38Å; V335-Q339 VanDerWaalsContact O-CA 3.27Å; V335-Q339 WeakPolarHBondContact O-CA 3.37Å; V335-Q339 PolarHBondContact O-N 3.46Å; V335-Q339 VanDerWaalsContact O-O 3.12Å; Q339-E341 WeakPolarHBondContact CA-OE1 3.38Å; Q339-E341 PolarHBondContact O-N 2.77Å; Q339-E341 VanDerWaalsContact O-N 3.14Å; Q339-L342 HydrophobicContact CB-CB 4.34Å; Q339-L342 HydrophobicContact CB-CD1 4.46Å; Q339-L342 PolarHBondContact O-N 2.96Å; Q339-F343 PolarHBondContact O-N 3.03Å
340P92.8Very high88.9Confident78 Ų7869 Ų6951%0.50635%0.349SS..Hα-helixtrans-57-31.3-172.924.6-35.6000113.3L342 F343P340-L342 VanDerWaalsContact C-N 3.31Å; P340-L342 PolarHBondContact O-N 3.05Å; P340-F343 PolarHBondContact O-N 3.26Å
341E91.9Very high87.4Confident133 Ų13371 Ų7162%0.62135%0.354SS*.Hα-helixtrans-65-30.1175.670.7-62.5148.500113.5Q339Q339-E341 WeakPolarHBondContact CA-OE1 3.38Å; Q339-E341 PolarHBondContact O-N 2.77Å; Q339-E341 VanDerWaalsContact O-N 3.14Å
342L88.6Confident86.2Confident63 Ų6374.6 Ų74.633%0.3337%0.373SS..Hα-helixtrans-93.1-14.3177.5-59.6-177.8000113.4Q339 P340 N344 D345 W346Q339-L342 HydrophobicContact CB-CB 4.34Å; Q339-L342 HydrophobicContact CB-CD1 4.46Å; Q339-L342 PolarHBondContact O-N 2.96Å; P340-L342 VanDerWaalsContact C-N 3.31Å; P340-L342 PolarHBondContact O-N 3.05Å; L342-N344 VanDerWaalsContact C-N 3.32Å; L342-N344 PolarHBondContact O-N 3.03Å; L342-D345 PolarHBondContact O-N 3.27Å; L342-D345 VanDerWaalsContact O-N 3.15Å; L342-W346 VanDerWaalsContact O-CB 3.28Å; L342-W346 WeakPolarHBondContact O-CB 3.18Å; L342-W346 PolarHBondContact O-N 3.4Å
343F90.1Very high85.5Confident26 Ų2674.9 Ų74.911%0.11438%0.377CS..Hα-helixtrans-55.5-42.3-171.2179.6-107000113.5D332 V335 R336 Q339 P340 W346 K347D332-F343 HydrophobicContact CB-CE2 4.25Å; D332-F343 WeakPolarHBondContact O-CE2 3.49Å; D332-F343 WeakPolarHBondContact OD2-CZ 3.4Å; V335-F343 HydrophobicContact CB-CD2 4.17Å; V335-F343 HydrophobicContact CG1-CB 4.21Å; V335-F343 HydrophobicContact CG1-CD2 4.13Å; R336-F343 HydrophobicContact CB-CD2 3.78Å; R336-F343 HydrophobicContact CB-CE2 3.87Å; R336-F343 HydrophobicContact CB-CG 4.23Å; R336-F343 HydrophobicContact CB-CZ 4.39Å; R336-F343 HydrophobicContact CG-CD2 4.46Å; R336-F343 HydrophobicContact CG-CE2 4.49Å; R336-F343 HydrophobicContact CG-CG 4.49Å; Q339-F343 PolarHBondContact O-N 3.03Å; P340-F343 PolarHBondContact O-N 3.26Å; F343-W346 HydrophobicContact CD2-CE3 4.1Å; F343-W346 HydrophobicContact CD2-CZ3 4.25Å; F343-W346 HydrophobicContact CE2-CE3 4.3Å; F343-W346 HydrophobicContact CE2-CZ3 4.02Å; F343-K347 HydrophobicContact CE1-CD 4.18Å; F343-K347 HydrophobicContact CZ-CD 4Å; F343-K347 WeakPolarHBondContact O-CB 3.45Å; F343-K347 PolarHBondContact O-N 3.46Å
344N88.6Confident85.2Confident106 Ų10678.8 Ų78.857%0.56740%0.402SS*.Hα-helixtrans-70.6-40.9179.2-70.8-36.7000112.6L342 N348L342-N344 VanDerWaalsContact C-N 3.32Å; L342-N344 PolarHBondContact O-N 3.03Å; N344-N348 WeakPolarHBondContact O-CB 3.34Å; N344-N348 PolarHBondContact O-N 2.96Å; N344-N348 PolarHBondContact O-ND2 3.08Å
345D86.6Confident85Confident63 Ų6379.7 Ų79.734%0.33741%0.406SS..Hα-helixtrans-68.1-46.5178.7-9013.1000110.9L342 K347 N348 G349 K350 N351L342-D345 PolarHBondContact O-N 3.27Å; L342-D345 VanDerWaalsContact O-N 3.15Å; D345-K347 PolarHBondContact O-N 2.86Å; D345-N348 CarbonylContact O-C 3.56Å; D345-N348 PolarHBondContact O-N 2.87Å; D345-N348 VanDerWaalsContact O-N 3.11Å; D345-G349 PolarHBondContact O-N 3Å; D345-G349 VanDerWaalsContact O-N 3.17Å; D345-K350 CarbonylContact C-O 3.59Å; D345-K350 HydrophobicContact CB-CB 4.47Å; D345-K350 PolarHBondContact O-N 3.15Å; D345-N351 PolarHBondContact OD2-ND2 3.02Å
346W84.9Confident85Confident48 Ų4881 Ų8118%0.18242%0.415CS..Hα-helixtrans-56.2-48.3175.1172.472.5000111.9M331 D332 V335 L342 F343 N348 G349M331-W346 HydrophobicContact CB-CH2 3.93Å; M331-W346 HydrophobicContact CB-CZ2 3.64Å; D332-W346 HydrophobicContact CB-CH2 4.37Å; D332-W346 HydrophobicContact CB-CZ3 4.29Å; D332-W346 VanDerWaalsContact OD1-CH2 3.26Å; D332-W346 WeakPolarHBondContact OD1-CH2 3.3Å; D332-W346 VanDerWaalsContact OD1-CZ3 3.27Å; D332-W346 WeakPolarHBondContact OD1-CZ3 3.24Å; V335-W346 HydrophobicContact CB-CD2 4.26Å; V335-W346 HydrophobicContact CB-CE3 3.96Å; V335-W346 HydrophobicContact CB-CZ3 4.29Å; V335-W346 HydrophobicContact CG1-CB 4.29Å; V335-W346 HydrophobicContact CG1-CD2 4.08Å; V335-W346 HydrophobicContact CG1-CE3 3.94Å; V335-W346 HydrophobicContact CG1-CG 4.22Å; V335-W346 HydrophobicContact CG2-CD2 3.93Å; V335-W346 HydrophobicContact CG2-CE3 4.06Å; V335-W346 HydrophobicContact CG2-CG 4.46Å; V335-W346 HydrophobicContact CG2-CH2 4.48Å; V335-W346 HydrophobicContact CG2-CZ2 4.35Å; V335-W346 HydrophobicContact CG2-CZ3 4.34Å; L342-W346 VanDerWaalsContact O-CB 3.28Å; L342-W346 WeakPolarHBondContact O-CB 3.18Å; L342-W346 PolarHBondContact O-N 3.4Å; F343-W346 HydrophobicContact CD2-CE3 4.1Å; F343-W346 HydrophobicContact CD2-CZ3 4.25Å; F343-W346 HydrophobicContact CE2-CE3 4.3Å; F343-W346 HydrophobicContact CE2-CZ3 4.02Å; W346-N348 PolarHBondContact O-N 2.84Å; W346-G349 PolarHBondContact O-N 2.97Å
347K85Confident85Confident118 Ų11875.4 Ų75.451%0.51339%0.394SS..Hα-helixtrans-64.8-24.4178.5-170.7164.5-167.1138.40113.7D332 F343 D345D332-K347 IonicContact OD2-NZ 3.54Å; D332-K347 PolarHBondContact OD2-NZ 3.07Å; F343-K347 HydrophobicContact CE1-CD 4.18Å; F343-K347 HydrophobicContact CZ-CD 4Å; F343-K347 WeakPolarHBondContact O-CB 3.45Å; F343-K347 PolarHBondContact O-N 3.46Å; D345-K347 PolarHBondContact O-N 2.86Å
348N85.4Confident84.9Confident114 Ų11471.1 Ų71.161%0.6138%0.382SS*.THydrogen-bonded Turntrans-91.44.6173.9-72.8-54.9000113.4N344 D345 W346 K350N344-N348 WeakPolarHBondContact O-CB 3.34Å; N344-N348 PolarHBondContact O-N 2.96Å; N344-N348 PolarHBondContact O-ND2 3.08Å; D345-N348 CarbonylContact O-C 3.56Å; D345-N348 PolarHBondContact O-N 2.87Å; D345-N348 VanDerWaalsContact O-N 3.11Å; W346-N348 PolarHBondContact O-N 2.84Å; N348-K350 VanDerWaalsContact C-N 3.26Å; N348-K350 HydrophobicContact CB-CG 4.38Å; N348-K350 PolarHBondContact O-N 3.33Å
349G77.4Confident84.7Confident60 Ų6070.8 Ų70.862%0.61938%0.381SS*.THydrogen-bonded Turntrans68.121.2-178.600000114.4D345 W346D345-G349 PolarHBondContact O-N 3Å; D345-G349 VanDerWaalsContact O-N 3.17Å; W346-G349 PolarHBondContact O-N 2.97Å
350K72.6Confident84.5Confident127 Ų12770.3 Ų70.355%0.55238%0.378SS*.  trans-102.5151.7-178.9-65.4-176.8-179.1178.90111.1D345 N348 L352D345-K350 CarbonylContact C-O 3.59Å; D345-K350 HydrophobicContact CB-CB 4.47Å; D345-K350 PolarHBondContact O-N 3.15Å; N348-K350 VanDerWaalsContact C-N 3.26Å; N348-K350 HydrophobicContact CB-CG 4.38Å; N348-K350 PolarHBondContact O-N 3.33Å; K350-L352 PolarHBondContact O-N 3.34Å
351N58Low83.9Confident128 Ų12870.9 Ų70.968%0.68438%0.376SS*.  trans49.537.6168.2-58.7-28000114.6D345 P353D345-N351 PolarHBondContact OD2-ND2 3.02Å; N351-P353 WeakPolarHBondContact O-CD 3.45Å
352L69.4Low82.2Confident89 Ų8970.2 Ų70.247%0.46638%0.384SS..PPolyproline II helixtrans-57.9123.4170.7-68.7175.2000108.3K350K350-L352 PolarHBondContact O-N 3.34Å
353P77.3Confident80.2Confident43 Ų4377 Ų7728%0.27941%0.405SS..PPolyproline II helixtrans-61.3151.5171.828.5-34.8000108.8E312 H316 N351E312-P353 WeakPolarHBondContact OE2-CG 3.48Å; H316-P353 PolarHBondContact CE1-O 3.03Å; H316-P353 PolarHBondContact NE2-O 3.14Å; N351-P353 WeakPolarHBondContact O-CD 3.45Å
354P84.5Confident77.5Confident98 Ų9885.1 Ų85.164%0.63644%0.443SS*.PPolyproline II helixtrans-5615117723.8-33.4000110.9D358P354-D358 HydrophobicContact CB-CB 4.08Å; P354-D358 WeakPolarHBondContact CB-OD2 3.36Å
355H90.7Very high74.6Confident21 Ų2183.3 Ų83.310%0.09744%0.436CS..PPolyproline II helixtrans-58136.2-179.8-177-53.7000108.2Y287 H316 L357 D358Y287-H355 AromaticContact CD2-CE1 3.94Å; Y287-H355 AromaticContact CD2-NE2 3.98Å; Y287-H355 AromaticContact CE2-CE1 3.91Å; Y287-H355 AromaticContact CE2-NE2 3.53Å; H316-H355 AromaticContact CG-CD2 3.95Å; H355-L357 VanDerWaalsContact C-N 3.28Å; H355-L357 PolarHBondContact ND1-N 3.5Å; H355-L357 PolarHBondContact O-N 3.11Å; H355-D358 PolarHBondContact N-OD2 2.89Å; H355-D358 WeakPolarHBondContact O-CB 3.44Å; H355-D358 VanDerWaalsContact O-CG 3.26Å; H355-D358 PolarHBondContact O-N 3.4Å
356P92.1Very high71.9Confident28 Ų2885.4 Ų85.418%0.18246%0.456CS..G310 helixtrans-49-42.3-174.4-35.439000115.4E312 Y313 D358 E359E312-P356 HydrophobicContact CB-CG 3.51Å; Y313-P356 HydrophobicContact CD1-CB 4.42Å; Y313-P356 HydrophobicContact CD1-CG 4.44Å; Y313-P356 HydrophobicContact CD2-CB 3.98Å; Y313-P356 HydrophobicContact CD2-CG 3.71Å; Y313-P356 HydrophobicContact CE1-CB 3.9Å; Y313-P356 HydrophobicContact CE1-CG 4.4Å; Y313-P356 HydrophobicContact CE2-CB 3.38Å; Y313-P356 HydrophobicContact CE2-CG 3.65Å; Y313-P356 HydrophobicContact CG-CB 4.47Å; Y313-P356 HydrophobicContact CG-CG 4.12Å; Y313-P356 WeakPolarHBondContact OH-CB 3.04Å; P356-D358 PolarHBondContact O-N 3.43Å; P356-E359 VanDerWaalsContact O-CB 3.31Å; P356-E359 WeakPolarHBondContact O-CB 3.35Å; P356-E359 VanDerWaalsContact O-CG 3.24Å; P356-E359 WeakPolarHBondContact O-CG 3.21Å; P356-E359 PolarHBondContact O-N 2.81Å
357L91.9Very high69.2Low6 Ų689.5 Ų89.53%0.03148%0.477CS..G310 helixtrans-52.6-20.5170.5-67.9-173.5000117.2P227 A230 R231 Y287 Y313 H355 E359 Y360P227-L357 HydrophobicContact CB-CD2 3.64Å; A230-L357 HydrophobicContact CB-CD1 4.35Å; R231-L357 HydrophobicContact CG-CD1 4.3Å; Y287-L357 HydrophobicContact CD1-CD1 3.39Å; Y287-L357 HydrophobicContact CD1-CG 4.3Å; Y287-L357 HydrophobicContact CE1-CD1 3.44Å; Y287-L357 VanDerWaalsContact CE1-CD1 3.44Å; Y287-L357 HydrophobicContact CG-CD1 3.91Å; Y287-L357 HydrophobicContact CG-CG 4.42Å; Y313-L357 HydrophobicContact CE1-CG 4.48Å; H355-L357 VanDerWaalsContact C-N 3.28Å; H355-L357 PolarHBondContact ND1-N 3.5Å; H355-L357 PolarHBondContact O-N 3.11Å; L357-E359 PolarHBondContact O-N 3.35Å; L357-E359 VanDerWaalsContact O-N 3.13Å; L357-Y360 HydrophobicContact CB-CD2 4.47Å; L357-Y360 HydrophobicContact CD2-CD2 4.01Å; L357-Y360 HydrophobicContact CD2-CE2 3.9Å; L357-Y360 WeakPolarHBondContact O-CD2 3.36Å; L357-Y360 PolarHBondContact O-N 2.87Å
358D89.4Confident66.6Low50 Ų5089.6 Ų89.627%0.26748%0.479SS..G310 helixtrans-62.8-15.4174.7-63.2-29.1000111.3R231 P354 H355 P356 Y360 L361R231-D358 IonicContact CZ-OD1 3.42Å; R231-D358 IonicContact NH1-OD1 3.51Å; R231-D358 PolarHBondContact NH1-OD1 2.88Å; R231-D358 IonicContact NH2-OD1 3.33Å; R231-D358 PolarHBondContact NH2-OD1 3.15Å; P354-D358 HydrophobicContact CB-CB 4.08Å; P354-D358 WeakPolarHBondContact CB-OD2 3.36Å; H355-D358 PolarHBondContact N-OD2 2.89Å; H355-D358 WeakPolarHBondContact O-CB 3.44Å; H355-D358 VanDerWaalsContact O-CG 3.26Å; H355-D358 PolarHBondContact O-N 3.4Å; P356-D358 PolarHBondContact O-N 3.43Å; D358-Y360 PolarHBondContact O-N 2.88Å; D358-L361 HydrophobicContact CB-CD1 4.1Å; D358-L361 WeakPolarHBondContact O-CB 3.32Å; D358-L361 PolarHBondContact O-N 2.94Å; D358-L361 WeakPolarHBondContact OD1-CD1 3.49Å
359E89Confident64Low59 Ų5989.8 Ų89.828%0.27648%0.483SS..G310 helixtrans-63.8-18.6170.682.3167.4143.300115.2K15 P356 L357K15-E359 HydrophobicContact CD-CG 4.18Å; K15-E359 WeakPolarHBondContact CD-OE2 3.37Å; K15-E359 PolarHBondContact NZ-O 2.96Å; K15-E359 IonicContact NZ-OE2 2.78Å; K15-E359 PolarHBondContact NZ-OE2 2.93Å; P356-E359 VanDerWaalsContact O-CB 3.31Å; P356-E359 WeakPolarHBondContact O-CB 3.35Å; P356-E359 VanDerWaalsContact O-CG 3.24Å; P356-E359 WeakPolarHBondContact O-CG 3.21Å; P356-E359 PolarHBondContact O-N 2.81Å; L357-E359 PolarHBondContact O-N 3.35Å; L357-E359 VanDerWaalsContact O-N 3.13Å
360Y89.4Confident61.7Low19 Ų1993.5 Ų93.58%0.07549%0.485CS..G310 helixtrans-98.8-8.2177.4-53.2-79.5000112.3K15 L19 H54 P227 A228 L357 D358K15-Y360 HydrophobicContact CD-CD1 3.86Å; K15-Y360 HydrophobicContact CD-CE1 3.64Å; K15-Y360 HydrophobicContact CG-CD1 3.99Å; K15-Y360 HydrophobicContact CG-CE1 3.76Å; L19-Y360 HydrophobicContact CD2-CD1 3.85Å; L19-Y360 HydrophobicContact CD2-CG 4.38Å; H54-Y360 AromaticContact ND1-CE1 3.73Å; H54-Y360 AromaticContact ND1-CZ 3.75Å; H54-Y360 PolarHBondContact ND1-OH 3.08Å; P227-Y360 HydrophobicContact CB-CE2 4.1Å; A228-Y360 HydrophobicContact CB-CD1 3.61Å; A228-Y360 HydrophobicContact CB-CE1 4.32Å; A228-Y360 HydrophobicContact CB-CG 3.77Å; L357-Y360 HydrophobicContact CB-CD2 4.47Å; L357-Y360 HydrophobicContact CD2-CD2 4.01Å; L357-Y360 HydrophobicContact CD2-CE2 3.9Å; L357-Y360 WeakPolarHBondContact O-CD2 3.36Å; L357-Y360 PolarHBondContact O-N 2.87Å; D358-Y360 PolarHBondContact O-N 2.88Å
361L79.2Confident59.6Low89 Ų8989.7 Ų89.747%0.46647%0.474SS..SBendtrans-66.8143.7170-66.2176.4000109D358 R363D358-L361 HydrophobicContact CB-CD1 4.1Å; D358-L361 WeakPolarHBondContact O-CB 3.32Å; D358-L361 PolarHBondContact O-N 2.94Å; D358-L361 WeakPolarHBondContact OD1-CD1 3.49Å; L361-R363 PolarHBondContact O-N 2.91Å
362P56.8Low58.3Low120 Ų12088.2 Ų88.278%0.77947%0.47SS*.  trans-56.3111.3168.6-21.732.9000108.6E364P362-E364 PolarHBondContact O-N 3.19Å; P362-E364 VanDerWaalsContact O-N 3.17Å
363R46.8Very low56.5Low206 Ų20689.3 Ų89.378%0.77748%0.476SS*.  trans-60.8121.5169-72.5-176.2176.3-178.3-1.5106.7L361 T365L361-R363 PolarHBondContact O-N 2.91Å; R363-T365 PolarHBondContact O-N 3.06Å
364E31.8Very low54.3Low196 Ų19694.3 Ų94.392%0.91650%0.497SS*.  trans-6097.2160.8-70.2-174.5172.400106.6P362 S366P362-E364 PolarHBondContact O-N 3.19Å; P362-E364 VanDerWaalsContact O-N 3.17Å; E364-S366 PolarHBondContact O-N 3.27Å
365T29.1Very low51.7Low67 Ų6799.2 Ų99.241%0.41150%0.504SS..  trans-66.9119.9-179.744.50000107.7R363 H367 H368R363-T365 PolarHBondContact O-N 3.06Å; T365-H367 PolarHBondContact O-N 3.13Å; T365-H368 PolarHBondContact O-N 2.88Å; T365-H368 PolarHBondContact OG1-CD2 2.93Å
366S28.5Very low48.8Very low107 Ų107107.7 Ų107.775%0.74854%0.535SS*.THydrogen-bonded Turntrans-59.85.2168.742.80000113.8E364E364-S366 PolarHBondContact O-N 3.27Å
367H29.5Very low45.9Very low135 Ų135112.4 Ų112.463%0.62556%0.559SS**THydrogen-bonded Turntrans-94.23.4169-68.3-67.5000114.6T365 V369 S371T365-H367 PolarHBondContact O-N 3.13Å; H367-V369 VanDerWaalsContact C-N 3.35Å; H367-S371 PolarHBondContact O-N 3.03Å; H367-S371 PolarHBondContact O-OG 2.8Å
368H30.5Very low43.1Very low120 Ų120116.1 Ų116.156%0.55659%0.586SS**Hα-helixtrans-84.6-0.7171.1-81.1-47.3000115.5T365 S371 T372T365-H368 PolarHBondContact O-N 2.88Å; T365-H368 PolarHBondContact OG1-CD2 2.93Å; H368-S371 WeakPolarHBondContact CA-OG 3.46Å; H368-S371 PolarHBondContact ND1-OG 2.7Å; H368-T372 PolarHBondContact O-OG1 3.01Å
369V29.9Very low40.3Very low117 Ų117118 Ų11871%0.70961%0.608SS**Hα-helixtrans-79.2-24.6168.8-173.10000112.1H367H367-V369 VanDerWaalsContact C-N 3.35Å
370E28.9Very low37.6Very low138 Ų138123.6 Ų123.665%0.64563%0.632SS**Hα-helixtrans-107.3-34.5179.8-68.3179.7145.300113.6T372 L373 M374E370-T372 VanDerWaalsContact C-N 3.26Å; E370-T372 PolarHBondContact O-N 2.85Å; E370-L373 WeakPolarHBondContact O-CB 3.48Å; E370-L373 PolarHBondContact O-N 2.74Å; E370-M374 PolarHBondContact O-N 3.11Å
371S28.4Very low35Very low48 Ų48129.6 Ų129.634%0.33667%0.665SS.*Hα-helixtrans-69.1-22177.451.50000114H367 H368 L373 M374H367-S371 PolarHBondContact O-N 3.03Å; H367-S371 PolarHBondContact O-OG 2.8Å; H368-S371 WeakPolarHBondContact CA-OG 3.46Å; H368-S371 PolarHBondContact ND1-OG 2.7Å; S371-L373 PolarHBondContact O-N 2.72Å; S371-M374 PolarHBondContact O-N 2.86Å
372T31.1Very low32.8Very low97 Ų97132.4 Ų132.460%0.59568%0.679SS**Hα-helixtrans-73.1-12.9171.4-50.60000112.6H368 E370H368-T372 PolarHBondContact O-OG1 3.01Å; E370-T372 VanDerWaalsContact C-N 3.26Å; E370-T372 PolarHBondContact O-N 2.85Å
373L31.7Very low31.5Very low111 Ų111134.5 Ų134.558%0.58168%0.683SS**Hα-helixtrans-93-28.1173.4-76.7160.6000112.9E370 S371E370-L373 WeakPolarHBondContact O-CB 3.48Å; E370-L373 PolarHBondContact O-N 2.74Å; S371-L373 PolarHBondContact O-N 2.72Å
374M30.3Very low30.6Very low149 Ų149128.5 Ų128.573%0.73469%0.685SS**Hα-helixtrans-84.4-14.8-176.7-58.8-15784.500115.3E370 S371 R376E370-M374 PolarHBondContact O-N 3.11Å; S371-M374 PolarHBondContact O-N 2.86Å; M374-R376 VanDerWaalsContact C-N 3.33Å
375Y29.8Very low30.6Very low200 Ų200126.7 Ų126.778%0.78468%0.68SS**THydrogen-bonded Turntrans-87.94173.3-102.3-87.6000114.3
376R30.4Very low30.8Very low199 Ų199132.1 Ų132.175%0.75170%0.701SS**SBendtrans-84.2-18.6178.2-106.7177.9166.2160-3.1114.6M374M374-R376 VanDerWaalsContact C-N 3.33Å
377D31.8Very low30.8Very low128 Ų128134.2 Ų134.268%0.68470%0.703SS**SBendtrans-101.8-6.5-176.9-67.9-41000114.5
378S33.4Very low30.9Very low83 Ų83135.7 Ų135.758%0.5872%0.716SS**SBendtrans-105.913.4-175.5-51.30000114.9
379A30.1Very low30.8Very low90 Ų90138 Ų13874%0.74473%0.727SS**SBendtrans-109.319.9179.900000113.6
380K33.1Very low30.7Very low177 Ų177140.8 Ų140.877%0.7774%0.737SS**SBendtrans-103.5-15178.2-81.7-179.1175.5171.80115.2
381D33.6Very low30.5Very low144 Ų144139.8 Ų139.877%0.7774%0.74SS**SBendtrans-112.810.1-167.9-64.2-46.2000115.5
382I32.6Very low30.6Very low149 Ų149144.4 Ų144.476%0.76477%0.766SS**SBendtrans-133.477.3-179.5-47.8179.5000111.2
383L31.2Very low30.5Very low163 Ų163149.6 Ų149.685%0.85378%0.781SS**  trans172.970.6143.1-94.6165.4000109.8I385L383-I385 PolarHBondContact O-N 3.22Å
384G26.7Very low30.3Very low80 Ų80147.7 Ų147.783%0.82579%0.788SS**  trans-81.7111.216800000110.9
385I33.1Very low30.4Very low158 Ų158146.3 Ų146.381%0.8179%0.79SS**  trans-136.7133.1157.8-63-174.4000107.6L383L383-I385 PolarHBondContact O-N 3.22Å
386E32.2Very low30.2Very low182 Ų182141.9 Ų141.985%0.8579%0.788SS**  trans-84.9162.6-163.4-62.3173.7125.800114.8
387N27.8Very low29.9Very low150 Ų150140.3 Ų140.380%0.80279%0.794SS**  trans-36.3136.4171-51.6-54.8000115.4
388N33Very low29.8Very low166 Ų166144.2 Ų144.289%0.88881%0.805SS**  -155.9140.8127.8-111.9-36.6000112.9
389E26.9Very low29.5Very low169 Ų169149.6 Ų149.679%0.7982%0.818SS**  trans-82.3147.8-174.8-55.2177.6120.800112.2
390L28.9Very low29.3Very low176 Ų176151.2 Ų151.292%0.92182%0.821SS**  trans-155.4120.9145.8-115.3143.6000111
391T25.4Very low29.2Very low116 Ų116153.3 Ų153.371%0.71283%0.826SS**  trans-107.8137.6-170.647.20000111.8
392V30.5Very low29.2Very low146 Ų146150.4 Ų150.489%0.88582%0.817SS**  trans-137.7126.1160.8-174.50000110.2
393K28.4Very low29.2Very low205 Ų205148.9 Ų148.989%0.89182%0.819SS**  trans-73.5156179.7-54.8154.4-177.1174.40109.4
394G27.2Very low29.5Very low71 Ų71148 Ų14873%0.73282%0.816SS**  cis170.8-159.16.100000106.4
395P31.5Very low29.8Very low120 Ų120148.3 Ų148.378%0.77981%0.805SS**  cis-129.2149-14.940-24000115.2
396S25.8Very low29.8Very low108 Ų108145.4 Ų145.476%0.75580%0.796SS**  trans31.1115.5146.763.80000122.3
397L25.7Very low29.8Very low166 Ų166142 Ų14287%0.86979%0.79SS**  -166.694119-107.7167.9000110
398F28.3Very low29.8Very low210 Ų210140.1 Ų140.192%0.92179%0.786SS**  trans175.6132.9143-98.4-68000108.5
399K28.2Very low29.7Very low195 Ų195140.1 Ų140.185%0.84878%0.778SS**PPolyproline II helixtrans-78.7146.7-177.2-71.1178.4175.4179.30111.1
400P26.2Very low29.7Very low125 Ų125137.3 Ų137.381%0.81277%0.772SS**PPolyproline II helixtrans-72.3139.5172.331.2-33.7000110.9
401Y30.1Very low29.8Very low221 Ų221131.4 Ų131.487%0.86775%0.754SS**PPolyproline II helixtrans-78.3147.7167.5-105.3-99.6000110.5
402S33Very low30.1Very low83 Ų83131.2 Ų131.258%0.5875%0.748SS**PPolyproline II helixtrans-75.3158.5-172.446.90000114D404S402-D404 PolarHBondContact O-N 3.36Å
403S33.9Very low30.5Very low117 Ų117128.2 Ų128.282%0.81873%0.727SS**THydrogen-bonded Turntrans-70.812.3-169.548.30000117.2
404D36.9Very low30.4Very low145 Ų145124.6 Ų124.678%0.77572%0.717SS**THydrogen-bonded Turntrans-113.113.9-170.6-60.8-44.8000114.1S402S402-D404 PolarHBondContact O-N 3.36Å
405S32.3Very low30.8Very low85 Ų85124.6 Ų124.659%0.59470%0.697SS**PPolyproline II helixtrans-97.2132.8176.849.50000112.3
406P33.4Very low30.9Very low97 Ų97121 Ų12163%0.6367%0.671SS**PPolyproline II helixtrans-66156-178.927.5-34.3000112
407P32.8Very low31.9Very low110 Ų110116.6 Ų116.671%0.71464%0.639SS**PPolyproline II helixtrans-58.7144176.126-34.6000110.8K409P407-K409 PolarHBondContact O-N 3.28Å
408P27.7Very low32.9Very low111 Ų111110.7 Ų110.772%0.72161%0.608SS**PPolyproline II helixtrans-58.6124-172.222.6-33.4000110.9D412P408-D412 WeakPolarHBondContact CB-OD2 3.46Å
409K29.9Very low34Very low167 Ų167103.7 Ų103.773%0.72658%0.576SS**PPolyproline II helixtrans-80148.7179.3-68.4-179.9178.2178.20109.2P407 G411 D412P407-K409 PolarHBondContact O-N 3.28Å; K409-G411 PolarHBondContact O-N 3.33Å; K409-D412 PolarHBondContact O-N 2.68Å
410V27.4Very low35.4Very low109 Ų10995.9 Ų95.966%0.66154%0.541SS*.THydrogen-bonded Turntrans-59.8102.3172.2-175.10000107.9S422V410-S422 WeakPolarHBondContact CB-OG 3.49Å; V410-S422 VanDerWaalsContact CG1-OG 3.27Å; V410-S422 WeakPolarHBondContact CG1-OG 3.44Å
411G31.4Very low36.8Very low52 Ų5292.4 Ų92.454%0.53652%0.52SS..THydrogen-bonded Turntrans160.8-24.5-162.400000114.3K409 L413K409-G411 PolarHBondContact O-N 3.33Å; G411-L413 PolarHBondContact O-N 3.38Å
412D32.7Very low38.1Very low112 Ų11283.9 Ų83.960%0.59949%0.493SS*.  trans-70.319.6-179.5-72.3-37.6000116.1P408 K409P408-D412 WeakPolarHBondContact CB-OD2 3.46Å; K409-D412 PolarHBondContact O-N 2.68Å
413L37.1Very low39.6Very low84 Ų8486.7 Ų86.744%0.4449%0.494SS..  trans-106.263174.8-67.8165.9000110.6G411 F415 L418G411-L413 PolarHBondContact O-N 3.38Å; L413-F415 VanDerWaalsContact C-N 3.27Å; L413-F415 PolarHBondContact O-N 3.1Å; L413-L418 HydrophobicContact CB-CD1 3.15Å; L413-L418 HydrophobicContact CB-CG 4.48Å; L413-L418 HydrophobicContact CD1-CD1 3.68Å; L413-L418 HydrophobicContact CG-CD1 4.02Å; L413-L418 WeakPolarHBondContact O-CD1 3.31Å
414N28Very low41.1Very low129 Ų12985.3 Ų85.369%0.6948%0.475SS*.  trans-69.467.4-176.8-76-48000114.6
415F35.8Very low42.8Very low71 Ų7179.5 Ų79.531%0.31144%0.443SS..SBendtrans-140.1143.6169.2-63.6-83.6000109.4L413 D417 L418 T598 R600L413-F415 VanDerWaalsContact C-N 3.27Å; L413-F415 PolarHBondContact O-N 3.1Å; F415-D417 PolarHBondContact O-N 3.1Å; F415-L418 PolarHBondContact O-N 3.45Å; F415-T598 HydrophobicContact CB-CG2 4.2Å; F415-T598 HydrophobicContact CD1-CG2 3.36Å; F415-T598 HydrophobicContact CE1-CG2 3.88Å; F415-T598 HydrophobicContact CG-CG2 4.18Å; F415-R600 HydrophobicContact CE1-CG 4.33Å
416I33Very low44.6Very low43 Ų4382.5 Ų82.522%0.22145%0.448CS..THydrogen-bonded Turntrans-49.4-21.1-176.4-71.3127.7000115.3L418 N595 F597 T598I416-L418 PolarHBondContact O-N 3.06Å; I416-N595 VanDerWaalsContact CD1-CG 3.43Å; I416-N595 VanDerWaalsContact CD1-ND2 3.3Å; I416-N595 WeakPolarHBondContact CD1-ND2 3.38Å; I416-N595 WeakPolarHBondContact CD1-OD1 3.25Å; I416-F597 HydrophobicContact CD1-CB 3.6Å; I416-F597 HydrophobicContact CD1-CD2 3.27Å; I416-F597 HydrophobicContact CD1-CE2 4.19Å; I416-F597 HydrophobicContact CD1-CG 3.66Å; I416-F597 HydrophobicContact CG1-CB 4.2Å; I416-F597 HydrophobicContact CG1-CD2 3.79Å; I416-F597 HydrophobicContact CG1-CE2 4.4Å; I416-F597 HydrophobicContact CG1-CG 4.04Å; I416-T598 HydrophobicContact CD1-CG2 3.57Å; I416-T598 HydrophobicContact CG1-CG2 4.4Å
417D47Very low46.5Very low17 Ų1784.6 Ų84.69%0.09145%0.45CS..THydrogen-bonded Turntrans-73.714.6-174.4-48.1-35.6000113.6F415 R782F415-D417 PolarHBondContact O-N 3.1Å; D417-R782 HydrophobicContact CB-CG 4.1Å; D417-R782 WeakPolarHBondContact O-CG 3.49Å; D417-R782 PolarHBondContact O-NE 3.21Å
418L47Very low48.9Very low41 Ų4179.9 Ų79.922%0.21542%0.421CS..  trans-133.473.6179.7-51.6-175.5000112.4L413 F415 I416 Y420L413-L418 HydrophobicContact CB-CD1 3.15Å; L413-L418 HydrophobicContact CB-CG 4.48Å; L413-L418 HydrophobicContact CD1-CD1 3.68Å; L413-L418 HydrophobicContact CG-CD1 4.02Å; L413-L418 WeakPolarHBondContact O-CD1 3.31Å; F415-L418 PolarHBondContact O-N 3.45Å; I416-L418 PolarHBondContact O-N 3.06Å; L418-Y420 HydrophobicContact CB-CD2 4.47Å; L418-Y420 HydrophobicContact CB-CE2 3.91Å; L418-Y420 HydrophobicContact CD2-CE1 4.33Å; L418-Y420 HydrophobicContact CD2-CE2 3.8Å; L418-Y420 VanDerWaalsContact CD2-CZ 3.43Å; L418-Y420 WeakPolarHBondContact CD2-OH 3.49Å; L418-Y420 HydrophobicContact CG-CE2 4.29Å; L418-Y420 PolarHBondContact O-N 3.26Å; L418-Y420 VanDerWaalsContact O-N 3.13Å
419R51.4Low51.9Low64 Ų6481.4 Ų81.424%0.24242%0.416CS..  trans-87.854.6173.5-60.9-114.3-164.9162.40.6111.5A639 M654 F784R419-A639 PolarHBondContact NH1-O 3Å; R419-M654 VanDerWaalsContact NH2-CE 3.33Å; R419-M654 PolarHBondContact NH2-SD 2.93Å; R419-M654 VanDerWaalsContact NH2-SD 3.44Å; R419-F784 HydrophobicContact CB-CD2 4.16Å; R419-F784 HydrophobicContact CB-CE2 3.44Å; R419-F784 VanDerWaalsContact CB-CE2 3.44Å; R419-F784 HydrophobicContact CB-CZ 4.29Å; R419-F784 HydrophobicContact CG-CD2 4.08Å; R419-F784 HydrophobicContact CG-CE2 3.7Å
420Y57.3Low54.6Low30 Ų3074.9 Ų74.912%0.11839%0.389CS..SBendtrans-148.8146.317741.2-108.7000111.8L418 Q424 F425 Y581L418-Y420 HydrophobicContact CB-CD2 4.47Å; L418-Y420 HydrophobicContact CB-CE2 3.91Å; L418-Y420 HydrophobicContact CD2-CE1 4.33Å; L418-Y420 HydrophobicContact CD2-CE2 3.8Å; L418-Y420 VanDerWaalsContact CD2-CZ 3.43Å; L418-Y420 WeakPolarHBondContact CD2-OH 3.49Å; L418-Y420 HydrophobicContact CG-CE2 4.29Å; L418-Y420 PolarHBondContact O-N 3.26Å; L418-Y420 VanDerWaalsContact O-N 3.13Å; Y420-Q424 VanDerWaalsContact CA-OE1 3.29Å; Y420-F425 AromaticContact CD2-CD2 3.79Å; Y420-F425 HydrophobicContact CD2-CD2 3.79Å; Y420-F425 HydrophobicContact CD2-CE2 4.04Å; Y420-F425 HydrophobicContact CD2-CG 4.32Å; Y420-F425 AromaticContact CE2-CD2 3.35Å; Y420-F425 HydrophobicContact CE2-CD2 3.35Å; Y420-F425 HydrophobicContact CE2-CE1 4.47Å; Y420-F425 AromaticContact CE2-CE2 3.13Å; Y420-F425 HydrophobicContact CE2-CE2 3.13Å; Y420-F425 HydrophobicContact CE2-CG 4.17Å; Y420-F425 AromaticContact CE2-CZ 3.74Å; Y420-F425 HydrophobicContact CE2-CZ 3.74Å; Y420-F425 AromaticContact CZ-CE2 3.58Å; Y420-F425 AromaticContact CZ-CZ 3.69Å; Y420-F425 VanDerWaalsContact OH-CE2 3.31Å; Y420-F425 WeakPolarHBondContact OH-CE2 3.39Å; Y420-F425 WeakPolarHBondContact OH-CZ 3.19Å; Y420-Y581 HydrophobicContact CE1-CD1 4.4Å; Y420-Y581 AromaticContact CE1-CE1 3.44Å; Y420-Y581 HydrophobicContact CE1-CE1 3.44Å; Y420-Y581 VanDerWaalsContact CE1-CE1 3.44Å; Y420-Y581 AromaticContact CE1-CZ 3.61Å; Y420-Y581 WeakPolarHBondContact CE1-OH 3.39Å; Y420-Y581 AromaticContact CZ-CE1 3.6Å; Y420-Y581 WeakPolarHBondContact OH-CD1 3.1Å; Y420-Y581 WeakPolarHBondContact OH-CE1 3.41Å
421S54.5Low57.5Low52 Ų5269.7 Ų69.736%0.36436%0.358SS..  trans-71.8156.4172.357.70000111.6K423 Q424 F425S421-K423 PolarHBondContact O-N 2.85Å; S421-Q424 PolarHBondContact O-N 2.89Å; S421-Q424 WeakPolarHBondContact OG-CG 3.44Å; S421-Q424 PolarHBondContact OG-N 3.45Å; S421-Q424 VanDerWaalsContact OG-N 3.12Å; S421-Q424 PolarHBondContact OG-OE1 3.37Å; S421-F425 PolarHBondContact O-N 3.46Å; S421-F425 VanDerWaalsContact O-N 3.17Å
422S58.1Low60.2Low43 Ų4372.9 Ų72.930%0.30136%0.357SS..Hα-helixtrans-50-41.3168-42.10000111.1V410 Q424 F425 E426V410-S422 WeakPolarHBondContact CB-OG 3.49Å; V410-S422 VanDerWaalsContact CG1-OG 3.27Å; V410-S422 WeakPolarHBondContact CG1-OG 3.44Å; S422-Q424 PolarHBondContact O-N 3.14Å; S422-F425 CarbonylContact O-C 3.49Å; S422-F425 WeakPolarHBondContact O-CA 3.24Å; S422-F425 WeakPolarHBondContact O-CB 3.31Å; S422-F425 PolarHBondContact O-N 3.06Å; S422-E426 WeakPolarHBondContact O-CG 3.39Å; S422-E426 PolarHBondContact O-N 3Å
423K63.4Low62.7Low141 Ų14168.1 Ų68.161%0.61333%0.331SS*.Hα-helixtrans-57.6-45.3174.8-176.1179.9178.9-177.40113.4S421 F425 E426 M427S421-K423 PolarHBondContact O-N 2.85Å; K423-F425 VanDerWaalsContact C-N 3.25Å; K423-F425 PolarHBondContact O-N 3.13Å; K423-E426 PolarHBondContact O-N 2.88Å; K423-M427 HydrophobicContact CG-SD 4.04Å; K423-M427 WeakPolarHBondContact O-CB 3.41Å; K423-M427 VanDerWaalsContact O-CG 3.23Å; K423-M427 WeakPolarHBondContact O-CG 3.42Å; K423-M427 PolarHBondContact O-N 2.82Å
424Q65.3Low65.1Low88 Ų8864.1 Ų64.141%0.41131%0.31SS..Hα-helixtrans-64.2-32.6175.1-80161.7-5700112Y420 S421 S422 A428 L779Y420-Q424 VanDerWaalsContact CA-OE1 3.29Å; S421-Q424 PolarHBondContact O-N 2.89Å; S421-Q424 WeakPolarHBondContact OG-CG 3.44Å; S421-Q424 PolarHBondContact OG-N 3.45Å; S421-Q424 VanDerWaalsContact OG-N 3.12Å; S421-Q424 PolarHBondContact OG-OE1 3.37Å; S422-Q424 PolarHBondContact O-N 3.14Å; Q424-A428 PolarHBondContact O-N 3.17Å; Q424-A428 VanDerWaalsContact O-N 3.16Å; Q424-L779 HydrophobicContact CB-CD2 4.41Å; Q424-L779 WeakPolarHBondContact O-CD2 3.49Å
425F72.6Confident67.8Low24 Ų2459.8 Ų59.811%0.10529%0.292CS..Hα-helixtrans-74.8-37175.7-120-26.3000112.9Y420 S421 S422 K423 M427 A428 W444 C445 Y581 L779Y420-F425 AromaticContact CD2-CD2 3.79Å; Y420-F425 HydrophobicContact CD2-CD2 3.79Å; Y420-F425 HydrophobicContact CD2-CE2 4.04Å; Y420-F425 HydrophobicContact CD2-CG 4.32Å; Y420-F425 AromaticContact CE2-CD2 3.35Å; Y420-F425 HydrophobicContact CE2-CD2 3.35Å; Y420-F425 HydrophobicContact CE2-CE1 4.47Å; Y420-F425 AromaticContact CE2-CE2 3.13Å; Y420-F425 HydrophobicContact CE2-CE2 3.13Å; Y420-F425 HydrophobicContact CE2-CG 4.17Å; Y420-F425 AromaticContact CE2-CZ 3.74Å; Y420-F425 HydrophobicContact CE2-CZ 3.74Å; Y420-F425 AromaticContact CZ-CE2 3.58Å; Y420-F425 AromaticContact CZ-CZ 3.69Å; Y420-F425 VanDerWaalsContact OH-CE2 3.31Å; Y420-F425 WeakPolarHBondContact OH-CE2 3.39Å; Y420-F425 WeakPolarHBondContact OH-CZ 3.19Å; S421-F425 PolarHBondContact O-N 3.46Å; S421-F425 VanDerWaalsContact O-N 3.17Å; S422-F425 CarbonylContact O-C 3.49Å; S422-F425 WeakPolarHBondContact O-CA 3.24Å; S422-F425 WeakPolarHBondContact O-CB 3.31Å; S422-F425 PolarHBondContact O-N 3.06Å; K423-F425 VanDerWaalsContact C-N 3.25Å; K423-F425 PolarHBondContact O-N 3.13Å; F425-M427 VanDerWaalsContact C-N 3.29Å; F425-A428 HydrophobicContact CD1-CB 4.31Å; F425-A428 VanDerWaalsContact O-CB 3.23Å; F425-A428 WeakPolarHBondContact O-CB 3.05Å; F425-A428 PolarHBondContact O-N 2.92Å; F425-A428 VanDerWaalsContact O-N 3.16Å; F425-W444 HydrophobicContact CE1-CZ2 4.1Å; F425-W444 AromaticContact CE1-NE1 3.82Å; F425-C445 HydrophobicContact CZ-CB 4.24Å; F425-Y581 HydrophobicContact CE1-CD1 4.47Å; F425-Y581 HydrophobicContact CE1-CG 4.25Å; F425-Y581 HydrophobicContact CZ-CD1 4.09Å; F425-Y581 HydrophobicContact CZ-CG 4.26Å; F425-L779 HydrophobicContact CD1-CD1 3.66Å; F425-L779 HydrophobicContact CE1-CD1 3.54Å
426E70.2Confident70.1Confident148 Ų14860.3 Ų60.369%0.69230%0.302SS*.Hα-helixtrans-64.4-34.2172-72.5158.9-164.200111.6S422 K423 A428S422-E426 WeakPolarHBondContact O-CG 3.39Å; S422-E426 PolarHBondContact O-N 3Å; K423-E426 PolarHBondContact O-N 2.88Å; E426-A428 VanDerWaalsContact C-N 3.32Å
427M74.5Confident72.4Confident140 Ų14060.3 Ų60.369%0.6930%0.302SS*.THydrogen-bonded Turntrans-82.3-4.3173.6-66.4175.769.300113.7K423 F425K423-M427 HydrophobicContact CG-SD 4.04Å; K423-M427 WeakPolarHBondContact O-CB 3.41Å; K423-M427 VanDerWaalsContact O-CG 3.23Å; K423-M427 WeakPolarHBondContact O-CG 3.42Å; K423-M427 PolarHBondContact O-N 2.82Å; F425-M427 VanDerWaalsContact C-N 3.29Å
428A83.6Confident73.9Confident12 Ų1263.6 Ų63.610%0.09932%0.324CS..PPolyproline II helixtrans-74.1132.8-177.200000111.5Q424 F425 E426 I430 W444 L779Q424-A428 PolarHBondContact O-N 3.17Å; Q424-A428 VanDerWaalsContact O-N 3.16Å; F425-A428 HydrophobicContact CD1-CB 4.31Å; F425-A428 VanDerWaalsContact O-CB 3.23Å; F425-A428 WeakPolarHBondContact O-CB 3.05Å; F425-A428 PolarHBondContact O-N 2.92Å; F425-A428 VanDerWaalsContact O-N 3.16Å; E426-A428 VanDerWaalsContact C-N 3.32Å; A428-I430 PolarHBondContact O-N 3.26Å; A428-W444 HydrophobicContact CB-CZ2 4.4Å; A428-L779 HydrophobicContact CB-CD1 3.68Å; A428-L779 HydrophobicContact CB-CD2 4Å; A428-L779 HydrophobicContact CB-CG 3.67Å
429K89.4Confident75.6Confident142 Ų14271 Ų7162%0.61735%0.349SS*.PPolyproline II helixtrans-74.8124.8175.7-177.8170.8-177.91750110.3V776 C777K429-V776 WeakPolarHBondContact CB-O 3.24Å; K429-V776 WeakPolarHBondContact CG-O 3.06Å; K429-C777 PolarHBondContact N-O 2.81Å; K429-C777 VanDerWaalsContact N-O 3.1Å; K429-C777 WeakPolarHBondContact O-CA 3.1Å; K429-C777 WeakPolarHBondContact O-CB 3.37Å
430I86.9Confident77.3Confident31 Ų3168.8 Ų68.816%0.15934%0.342CS..PPolyproline II helixtrans-75.8136.2178.3-60.7171000109.2A428 I434 A435 Y447A428-I430 PolarHBondContact O-N 3.26Å; I430-I434 HydrophobicContact CG2-CB 3.68Å; I430-I434 HydrophobicContact CG2-CG2 3.57Å; I430-A435 HydrophobicContact CB-CB 4.03Å; I430-A435 HydrophobicContact CG2-CB 3.92Å; I430-Y447 HydrophobicContact CD1-CE2 3.79Å; I430-Y447 WeakPolarHBondContact CD1-OH 3.31Å
431P88.8Confident78.8Confident0 Ų070.7 Ų70.70%035%0.349CS..PPolyproline II helixtrans-53.6138.6174.8-26.934.3000112.5H433 I434 A435 W444 V776 C803 M806 A807P431-H433 PolarHBondContact O-N 2.85Å; P431-I434 HydrophobicContact CB-CD1 4.05Å; P431-I434 HydrophobicContact CB-CG1 4.47Å; P431-I434 HydrophobicContact CG-CD1 4.01Å; P431-I434 WeakPolarHBondContact O-CA 3.42Å; P431-I434 WeakPolarHBondContact O-CB 3.4Å; P431-I434 PolarHBondContact O-N 2.98Å; P431-A435 PolarHBondContact O-N 3.03Å; P431-W444 HydrophobicContact CG-CE3 4.35Å; P431-W444 HydrophobicContact CG-CZ3 3.9Å; P431-V776 HydrophobicContact CB-CG1 3.95Å; P431-V776 HydrophobicContact CG-CG1 3.95Å; P431-C803 HydrophobicContact CG-CB 4.07Å; P431-M806 HydrophobicContact CB-CB 3.74Å; P431-M806 HydrophobicContact CG-CB 4.49Å; P431-A807 HydrophobicContact CB-CB 4.34Å
432F87.3Confident80.4Confident118 Ų11869.4 Ų69.452%0.51834%0.34SS..Hα-helixtrans-47-52.6-166175.1-104.6000114.3I434 A435 T436 M806F432-I434 VanDerWaalsContact C-N 3.28Å; F432-I434 PolarHBondContact O-N 2.83Å; F432-A435 PolarHBondContact O-N 2.96Å; F432-T436 HydrophobicContact CD2-CG2 4.06Å; F432-T436 HydrophobicContact CE1-CG2 4.42Å; F432-T436 HydrophobicContact CE2-CG2 3.68Å; F432-T436 HydrophobicContact CZ-CG2 3.88Å; F432-T436 WeakPolarHBondContact O-CG2 3.04Å; F432-T436 PolarHBondContact O-N 2.84Å; F432-T436 PolarHBondContact O-OG1 3.44Å; F432-T436 VanDerWaalsContact O-OG1 3.06Å; F432-M806 PolarHBondContact N-O 2.87Å
433H85.1Confident81.9Confident12 Ų1267.4 Ų67.46%0.05633%0.326CS..Hα-helixtrans-71.2-21-176.5-65.8-56.7000114.3P431 T436 L484 M806P431-H433 PolarHBondContact O-N 2.85Å; H433-T436 WeakPolarHBondContact CA-OG1 3.43Å; H433-T436 PolarHBondContact O-OG1 3.41Å; H433-L484 HydrophobicContact CB-CD1 3.62Å; H433-M806 HydrophobicContact CB-CE 4.29Å; H433-M806 WeakPolarHBondContact CB-O 3.39Å; H433-M806 PolarHBondContact CD2-O 2.82Å; H433-M806 PolarHBondContact N-O 2.65Å
434I87.1Confident83.1Confident0 Ų060.9 Ų60.90%030%0.297CS..Hα-helixtrans-77.8-48.4170.9-57.7169.6000108.6I430 P431 F432 T436 N437 L440 Y441 M582 M806I430-I434 HydrophobicContact CG2-CB 3.68Å; I430-I434 HydrophobicContact CG2-CG2 3.57Å; P431-I434 HydrophobicContact CB-CD1 4.05Å; P431-I434 HydrophobicContact CB-CG1 4.47Å; P431-I434 HydrophobicContact CG-CD1 4.01Å; P431-I434 WeakPolarHBondContact O-CA 3.42Å; P431-I434 WeakPolarHBondContact O-CB 3.4Å; P431-I434 PolarHBondContact O-N 2.98Å; F432-I434 VanDerWaalsContact C-N 3.28Å; F432-I434 PolarHBondContact O-N 2.83Å; I434-T436 VanDerWaalsContact C-N 3.27Å; I434-T436 PolarHBondContact O-N 3.38Å; I434-N437 CarbonylContact O-C 3.54Å; I434-N437 PolarHBondContact O-N 3.03Å; I434-N437 VanDerWaalsContact O-O 3.09Å; I434-L440 HydrophobicContact CG2-CB 4.2Å; I434-Y441 HydrophobicContact CG2-CD1 4.16Å; I434-Y441 WeakPolarHBondContact O-CD1 3.16Å; I434-Y441 WeakPolarHBondContact O-CE1 3.26Å; I434-M582 HydrophobicContact CD1-CE 3.49Å; I434-M582 VanDerWaalsContact CD1-CE 3.49Å; I434-M582 HydrophobicContact CD1-SD 3.29Å; I434-M582 WeakPolarHBondContact CD1-SD 3.29Å; I434-M582 HydrophobicContact CG1-CE 4.41Å; I434-M806 HydrophobicContact CD1-CB 3.96Å; I434-M806 HydrophobicContact CD1-CE 4.3Å; I434-M806 HydrophobicContact CD1-CG 4.14Å; I434-M806 HydrophobicContact CG1-CB 4.13Å; I434-M806 HydrophobicContact CG1-CE 3.61Å; I434-M806 HydrophobicContact CG1-CG 4.39Å
435A85.8Confident83.9Confident38 Ų3857.2 Ų57.231%0.31428%0.281SS..Hα-helixtrans-57.5-38.518000000112.5I430 P431 F432 N437 Y441I430-A435 HydrophobicContact CB-CB 4.03Å; I430-A435 HydrophobicContact CG2-CB 3.92Å; P431-A435 PolarHBondContact O-N 3.03Å; F432-A435 PolarHBondContact O-N 2.96Å; A435-N437 VanDerWaalsContact C-N 3.33Å; A435-N437 PolarHBondContact O-N 3.47Å; A435-Y441 PolarHBondContact O-OH 3.14Å
436T83Confident83.9Confident83 Ų8358 Ų5851%0.50930%0.296SS..THydrogen-bonded Turntrans-80.3-7.3178.655.80000114.5F432 H433 I434F432-T436 HydrophobicContact CD2-CG2 4.06Å; F432-T436 HydrophobicContact CE1-CG2 4.42Å; F432-T436 HydrophobicContact CE2-CG2 3.68Å; F432-T436 HydrophobicContact CZ-CG2 3.88Å; F432-T436 WeakPolarHBondContact O-CG2 3.04Å; F432-T436 PolarHBondContact O-N 2.84Å; F432-T436 PolarHBondContact O-OG1 3.44Å; F432-T436 VanDerWaalsContact O-OG1 3.06Å; H433-T436 WeakPolarHBondContact CA-OG1 3.43Å; H433-T436 PolarHBondContact O-OG1 3.41Å; I434-T436 VanDerWaalsContact C-N 3.27Å; I434-T436 PolarHBondContact O-N 3.38Å
437N81.3Confident84.4Confident42 Ų4255 Ų5523%0.22528%0.279CS..  trans-131.894.1-179.1-172.1-17.2000110.8I434 A435 R439 L440I434-N437 CarbonylContact O-C 3.54Å; I434-N437 PolarHBondContact O-N 3.03Å; I434-N437 VanDerWaalsContact O-O 3.09Å; A435-N437 VanDerWaalsContact C-N 3.33Å; A435-N437 PolarHBondContact O-N 3.47Å; N437-R439 PolarHBondContact O-N 2.87Å; N437-R439 WeakPolarHBondContact OD1-CB 3.24Å; N437-R439 PolarHBondContact OD1-N 3.43Å; N437-L440 HydrophobicContact CB-CD1 3.95Å; N437-L440 HydrophobicContact CB-CG 4.01Å; N437-L440 WeakPolarHBondContact O-CB 3.39Å; N437-L440 PolarHBondContact O-N 3.01Å
438P79.6Confident84.6Confident86 Ų8653.6 Ų53.656%0.55828%0.28SS*.G310 helixtrans-54.5-24.9-177.7-29.536.3000115.2L440 Y441P438-L440 PolarHBondContact O-N 3.3Å; P438-Y441 HydrophobicContact CB-CD2 4.45Å; P438-Y441 HydrophobicContact CB-CE1 4.47Å; P438-Y441 HydrophobicContact CB-CE2 4.14Å; P438-Y441 PolarHBondContact O-N 2.94Å
439R82.8Confident84.5Confident197 Ų19756.6 Ų56.674%0.74331%0.305SS*.G310 helixtrans-65.4-20.9175.4-58.9179.5177.9171.40.1112.6N437 I453N437-R439 PolarHBondContact O-N 2.87Å; N437-R439 WeakPolarHBondContact OD1-CB 3.24Å; N437-R439 PolarHBondContact OD1-N 3.43Å; R439-I453 WeakPolarHBondContact O-CD1 3.46Å; R439-I453 WeakPolarHBondContact O-CG2 3.43Å
440L86.8Confident84.6Confident17 Ų1753.3 Ų53.39%0.08929%0.294CS..G310 helixtrans-93.4-9.2-179.8-56-176.4000113.4I434 N437 P438 P442 L443 F457 L484 M806I434-L440 HydrophobicContact CG2-CB 4.2Å; N437-L440 HydrophobicContact CB-CD1 3.95Å; N437-L440 HydrophobicContact CB-CG 4.01Å; N437-L440 WeakPolarHBondContact O-CB 3.39Å; N437-L440 PolarHBondContact O-N 3.01Å; P438-L440 PolarHBondContact O-N 3.3Å; L440-P442 VanDerWaalsContact C-CD 3.49Å; L440-P442 VanDerWaalsContact C-N 3.33Å; L440-L443 HydrophobicContact CB-CD1 4.12Å; L440-L443 HydrophobicContact CD2-CD1 3.89Å; L440-L443 VanDerWaalsContact O-CB 3.23Å; L440-L443 WeakPolarHBondContact O-CB 3.31Å; L440-L443 WeakPolarHBondContact O-CG 3.35Å; L440-L443 PolarHBondContact O-N 2.68Å; L440-F457 HydrophobicContact CD2-CD2 4.43Å; L440-L484 HydrophobicContact CD1-CD2 4.19Å; L440-M806 HydrophobicContact CD1-CE 4.26Å
441Y88.3Confident84.7Confident70 Ų7057 Ų5728%0.27531%0.311SS..G310 helixtrans-52.9-41.3-178.1-68.1-1.6000113.6I434 A435 P438 L443 W444 Y447I434-Y441 HydrophobicContact CG2-CD1 4.16Å; I434-Y441 WeakPolarHBondContact O-CD1 3.16Å; I434-Y441 WeakPolarHBondContact O-CE1 3.26Å; A435-Y441 PolarHBondContact O-OH 3.14Å; P438-Y441 HydrophobicContact CB-CD2 4.45Å; P438-Y441 HydrophobicContact CB-CE1 4.47Å; P438-Y441 HydrophobicContact CB-CE2 4.14Å; P438-Y441 PolarHBondContact O-N 2.94Å; Y441-L443 PolarHBondContact O-N 2.89Å; Y441-W444 WeakPolarHBondContact O-CB 3.43Å; Y441-W444 PolarHBondContact O-N 3.45Å; Y441-Y447 HydrophobicContact CD2-CE1 4.45Å; Y441-Y447 HydrophobicContact CG-CE2 4.4Å; Y441-Y447 WeakPolarHBondContact O-CD2 3.37Å
442P89Confident84.8Confident26 Ų2661.1 Ų61.117%0.16933%0.33CS..G310 helixtrans-64-10.7176.3-25.537.6000115.6L440 W444 N450 I453 R583L440-P442 VanDerWaalsContact C-CD 3.49Å; L440-P442 VanDerWaalsContact C-N 3.33Å; P442-W444 VanDerWaalsContact C-N 3.3Å; P442-N450 HydrophobicContact CB-CB 3.62Å; P442-N450 HydrophobicContact CG-CB 4.05Å; P442-I453 HydrophobicContact CB-CB 4.24Å; P442-I453 HydrophobicContact CB-CG1 4.48Å; P442-I453 HydrophobicContact CB-CG2 4.11Å; P442-I453 HydrophobicContact CG-CB 4.41Å; P442-I453 HydrophobicContact CG-CG1 4.14Å; P442-I453 HydrophobicContact CG-CG2 4.3Å; P442-R583 PolarHBondContact O-NH1 2.9Å
443L89.9Confident84.9Confident0 Ų057 Ų570%031%0.313CS..G310 helixtrans-73.8-23.8170.1-56.6178.2000112.1L440 Y441 I453 E454 F457 M582 R583L440-L443 HydrophobicContact CB-CD1 4.12Å; L440-L443 HydrophobicContact CD2-CD1 3.89Å; L440-L443 VanDerWaalsContact O-CB 3.23Å; L440-L443 WeakPolarHBondContact O-CB 3.31Å; L440-L443 WeakPolarHBondContact O-CG 3.35Å; L440-L443 PolarHBondContact O-N 2.68Å; Y441-L443 PolarHBondContact O-N 2.89Å; L443-I453 HydrophobicContact CD2-CG2 4.08Å; L443-I453 HydrophobicContact CG-CG2 4.16Å; L443-E454 HydrophobicContact CD2-CB 4.34Å; L443-E454 HydrophobicContact CD2-CG 4.23Å; L443-F457 HydrophobicContact CD1-CB 3.83Å; L443-F457 HydrophobicContact CD1-CD1 4.02Å; L443-F457 HydrophobicContact CD1-CD2 3.46Å; L443-F457 VanDerWaalsContact CD1-CD2 3.46Å; L443-F457 HydrophobicContact CD1-CE1 4.46Å; L443-F457 HydrophobicContact CD1-CE2 3.96Å; L443-F457 HydrophobicContact CD1-CG 3.49Å; L443-F457 VanDerWaalsContact CD1-CG 3.49Å; L443-F457 HydrophobicContact CD1-CZ 4.43Å; L443-F457 HydrophobicContact CD2-CB 3.88Å; L443-F457 HydrophobicContact CD2-CD1 4.26Å; L443-F457 HydrophobicContact CD2-CG 4.11Å; L443-F457 HydrophobicContact CG-CB 4.48Å; L443-F457 HydrophobicContact CG-CG 4.47Å; L443-M582 HydrophobicContact CB-CE 3.65Å; L443-M582 HydrophobicContact CD1-CE 4.39Å; L443-M582 CarbonylContact O-C 3.46Å; L443-M582 WeakPolarHBondContact O-CA 3.42Å; L443-R583 PolarHBondContact O-N 3.3Å
444W87.5Confident85.2Confident4 Ų457.4 Ų57.42%0.01532%0.315CS..BIsolated β-bridgetrans-82.1128.5175-177.2-107000110.5F425 A428 P431 Y441 P442 G446 Y447 Y581 M582 R583 C777 L779F425-W444 HydrophobicContact CE1-CZ2 4.1Å; F425-W444 AromaticContact CE1-NE1 3.82Å; A428-W444 HydrophobicContact CB-CZ2 4.4Å; P431-W444 HydrophobicContact CG-CE3 4.35Å; P431-W444 HydrophobicContact CG-CZ3 3.9Å; Y441-W444 WeakPolarHBondContact O-CB 3.43Å; Y441-W444 PolarHBondContact O-N 3.45Å; P442-W444 VanDerWaalsContact C-N 3.3Å; W444-G446 PolarHBondContact O-N 3.32Å; W444-G446 VanDerWaalsContact O-N 3.08Å; W444-Y447 HydrophobicContact CB-CD2 4.11Å; W444-Y447 AromaticContact CD1-CD2 3.96Å; W444-Y447 HydrophobicContact CG-CD2 4.44Å; W444-Y447 PolarHBondContact O-N 3.49Å; W444-Y581 AromaticContact CH2-CD2 3.86Å; W444-Y581 HydrophobicContact CH2-CD2 3.86Å; W444-Y581 HydrophobicContact CH2-CG 4.3Å; W444-Y581 HydrophobicContact CZ2-CD2 4.22Å; W444-M582 HydrophobicContact CE3-SD 3.87Å; W444-M582 HydrophobicContact CZ3-SD 4.46Å; W444-R583 PolarHBondContact O-NH1 3.07Å; W444-C777 HydrophobicContact CH2-CB 3.62Å; W444-C777 HydrophobicContact CZ2-CB 4.19Å; W444-L779 HydrophobicContact CZ2-CD1 3.97Å
445C81.5Confident85.5Confident11 Ų1161.5 Ų61.57%0.07433%0.331CS..THydrogen-bonded Turntrans-59.6-24.8-172.5-78.30000114.4F425 Y447 Y581 R583F425-C445 HydrophobicContact CZ-CB 4.24Å; C445-Y447 VanDerWaalsContact C-N 3.25Å; C445-Y447 PolarHBondContact O-N 2.84Å; C445-Y581 WeakPolarHBondContact CB-O 3.3Å; C445-Y581 PolarHBondContact N-O 3.24Å; C445-Y581 VanDerWaalsContact SG-C 3.54Å; C445-Y581 PolarHBondContact SG-O 2.99Å; C445-Y581 VanDerWaalsContact SG-O 3.38Å; C445-R583 PolarHBondContact O-NH2 3.49Å
446G73.7Confident85.6Confident40 Ų4063.3 Ų63.341%0.41234%0.335SS..THydrogen-bonded Turntrans-67.4-18.7175.500000114.8W444W444-G446 PolarHBondContact O-N 3.32Å; W444-G446 VanDerWaalsContact O-N 3.08Å
447Y80Confident86Confident87 Ų8760.5 Ų60.534%0.34132%0.316SS..SBendtrans-95.9156.9173.1-68.2-82.4000111.6I430 Y441 W444 C445 A449 R583I430-Y447 HydrophobicContact CD1-CE2 3.79Å; I430-Y447 WeakPolarHBondContact CD1-OH 3.31Å; Y441-Y447 HydrophobicContact CD2-CE1 4.45Å; Y441-Y447 HydrophobicContact CG-CE2 4.4Å; Y441-Y447 WeakPolarHBondContact O-CD2 3.37Å; W444-Y447 HydrophobicContact CB-CD2 4.11Å; W444-Y447 AromaticContact CD1-CD2 3.96Å; W444-Y447 HydrophobicContact CG-CD2 4.44Å; W444-Y447 PolarHBondContact O-N 3.49Å; C445-Y447 VanDerWaalsContact C-N 3.25Å; C445-Y447 PolarHBondContact O-N 2.84Å; Y447-A449 PolarHBondContact O-N 3.09Å; Y447-R583 VanDerWaalsContact O-CZ 3.31Å; Y447-R583 PolarHBondContact O-NH1 3.07Å; Y447-R583 PolarHBondContact O-NH2 3.43Å
448P79.8Confident86.6Confident110 Ų11058.6 Ų58.671%0.71431%0.305SS*.PPolyproline II helixtrans-52.5138.1171.8-26.935.5000112.2
449A81.9Confident87.1Confident75 Ų7555.7 Ų55.762%0.6229%0.285SS*.PPolyproline II helixtrans-67.3134.4179.700000110.9Y447Y447-A449 PolarHBondContact O-N 3.09Å
450N89.7Confident87.3Confident72 Ų7247.5 Ų47.539%0.38526%0.255SS..  trans-127.6106.2174.6-175.5-46000109.1P442 Q452 I453 E454P442-N450 HydrophobicContact CB-CB 3.62Å; P442-N450 HydrophobicContact CG-CB 4.05Å; N450-Q452 PolarHBondContact O-N 2.97Å; N450-Q452 PolarHBondContact OD1-N 3.27Å; N450-I453 HydrophobicContact CB-CB 4.13Å; N450-I453 HydrophobicContact CB-CG1 4.11Å; N450-I453 PolarHBondContact O-N 2.91Å; N450-I453 PolarHBondContact OD1-N 3.06Å; N450-E454 PolarHBondContact O-N 3.41Å; N450-E454 VanDerWaalsContact O-N 3.13Å
451E89.1Confident87.5Confident109 Ų10947.3 Ų47.351%0.50925%0.254SS..Hα-helixtrans-59.9-34.1-177.5-67.1-158.8151.700112.3E454 R455 R528E451-E454 PolarHBondContact O-N 3.18Å; E451-R455 WeakPolarHBondContact O-CB 3.45Å; E451-R455 VanDerWaalsContact O-CG 3.23Å; E451-R455 WeakPolarHBondContact O-CG 3.3Å; E451-R455 PolarHBondContact O-N 3.45Å; E451-R528 IonicContact OE1-NH2 3.56Å
452Q90.7Very high87.5Confident86 Ų8644 Ų4440%0.40224%0.241SC..Hα-helixtrans-72.3-38-178.8-170.456.943.100112.3N450 E454 R455 N456N450-Q452 PolarHBondContact O-N 2.97Å; N450-Q452 PolarHBondContact OD1-N 3.27Å; Q452-E454 VanDerWaalsContact C-N 3.35Å; Q452-R455 PolarHBondContact O-N 3.3Å; Q452-N456 PolarHBondContact NE2-OD1 3.05Å; Q452-N456 WeakPolarHBondContact O-CB 3.43Å; Q452-N456 PolarHBondContact O-N 3.02Å; Q452-N456 PolarHBondContact O-OD1 3.25Å
453I89.7Confident87.5Confident33 Ų3343 Ų4317%0.16924%0.235CC..Hα-helixtrans-64.6-41.1172.7-67.8-54.8000111R439 P442 L443 N450 R455 N456 F457R439-I453 WeakPolarHBondContact O-CD1 3.46Å; R439-I453 WeakPolarHBondContact O-CG2 3.43Å; P442-I453 HydrophobicContact CB-CB 4.24Å; P442-I453 HydrophobicContact CB-CG1 4.48Å; P442-I453 HydrophobicContact CB-CG2 4.11Å; P442-I453 HydrophobicContact CG-CB 4.41Å; P442-I453 HydrophobicContact CG-CG1 4.14Å; P442-I453 HydrophobicContact CG-CG2 4.3Å; L443-I453 HydrophobicContact CD2-CG2 4.08Å; L443-I453 HydrophobicContact CG-CG2 4.16Å; N450-I453 HydrophobicContact CB-CB 4.13Å; N450-I453 HydrophobicContact CB-CG1 4.11Å; N450-I453 PolarHBondContact O-N 2.91Å; N450-I453 PolarHBondContact OD1-N 3.06Å; I453-R455 PolarHBondContact O-N 3.33Å; I453-N456 PolarHBondContact O-N 3.49Å; I453-F457 WeakPolarHBondContact O-CB 3.17Å; I453-F457 PolarHBondContact O-N 3.06Å
454E91.5Very high87.3Confident19 Ų1944.8 Ų44.89%0.08924%0.243CC..Hα-helixtrans-65.1-39.4176.3-155.9-158.111700112.2L443 N450 E451 Q452 F457 N458 K574 R583 G584L443-E454 HydrophobicContact CD2-CB 4.34Å; L443-E454 HydrophobicContact CD2-CG 4.23Å; N450-E454 PolarHBondContact O-N 3.41Å; N450-E454 VanDerWaalsContact O-N 3.13Å; E451-E454 PolarHBondContact O-N 3.18Å; Q452-E454 VanDerWaalsContact C-N 3.35Å; E454-F457 PolarHBondContact O-N 3.05Å; E454-N458 WeakPolarHBondContact O-CB 3.46Å; E454-N458 VanDerWaalsContact O-CG 3.27Å; E454-N458 PolarHBondContact O-N 3.26Å; E454-N458 PolarHBondContact O-ND2 2.96Å; E454-K574 IonicContact OE1-NZ 3.22Å; E454-K574 PolarHBondContact OE1-NZ 3.22Å; E454-K574 IonicContact OE2-NZ 2.75Å; E454-K574 PolarHBondContact OE2-NZ 3.25Å; E454-R583 HydrophobicContact CG-CB 4.4Å; E454-G584 WeakPolarHBondContact OE1-CA 3.31Å
455R93.1Very high87.2Confident87 Ų8747.6 Ų47.633%0.32826%0.255SS..Hα-helixtrans-59.7-49.4171.1-73170.384.9-150.16.2111.2E451 Q452 I453 F457 N458 I459 R528E451-R455 WeakPolarHBondContact O-CB 3.45Å; E451-R455 VanDerWaalsContact O-CG 3.23Å; E451-R455 WeakPolarHBondContact O-CG 3.3Å; E451-R455 PolarHBondContact O-N 3.45Å; Q452-R455 PolarHBondContact O-N 3.3Å; I453-R455 PolarHBondContact O-N 3.33Å; R455-F457 VanDerWaalsContact C-N 3.32Å; R455-F457 PolarHBondContact O-N 3.37Å; R455-N458 PolarHBondContact O-N 3.02Å; R455-I459 VanDerWaalsContact O-CG1 3.24Å; R455-I459 WeakPolarHBondContact O-CG1 3.49Å; R455-I459 PolarHBondContact O-N 2.87Å; R455-R528 PolarHBondContact NE-O 3.22Å; R455-R528 VanDerWaalsContact NE-O 3.16Å
456N89.6Confident87.5Confident76 Ų7647 Ų4741%0.40625%0.252SS..Hα-helixtrans-59.4-42.2179.5-67.7-5.8000111.7Q452 I453 I459 F460Q452-N456 PolarHBondContact NE2-OD1 3.05Å; Q452-N456 WeakPolarHBondContact O-CB 3.43Å; Q452-N456 PolarHBondContact O-N 3.02Å; Q452-N456 PolarHBondContact O-OD1 3.25Å; I453-N456 PolarHBondContact O-N 3.49Å; N456-I459 PolarHBondContact O-N 3.29Å; N456-F460 WeakPolarHBondContact O-CB 3.3Å; N456-F460 PolarHBondContact O-N 3.22Å
457F90.5Very high88.4Confident24 Ų2447.7 Ų47.711%0.10524%0.242CC..Hα-helixtrans-63.1-47.2175.1178.2-106.8000112.1L440 L443 I453 E454 R455 I459 F460 I461 M806L440-F457 HydrophobicContact CD2-CD2 4.43Å; L443-F457 HydrophobicContact CD1-CB 3.83Å; L443-F457 HydrophobicContact CD1-CD1 4.02Å; L443-F457 HydrophobicContact CD1-CD2 3.46Å; L443-F457 VanDerWaalsContact CD1-CD2 3.46Å; L443-F457 HydrophobicContact CD1-CE1 4.46Å; L443-F457 HydrophobicContact CD1-CE2 3.96Å; L443-F457 HydrophobicContact CD1-CG 3.49Å; L443-F457 VanDerWaalsContact CD1-CG 3.49Å; L443-F457 HydrophobicContact CD1-CZ 4.43Å; L443-F457 HydrophobicContact CD2-CB 3.88Å; L443-F457 HydrophobicContact CD2-CD1 4.26Å; L443-F457 HydrophobicContact CD2-CG 4.11Å; L443-F457 HydrophobicContact CG-CB 4.48Å; L443-F457 HydrophobicContact CG-CG 4.47Å; I453-F457 WeakPolarHBondContact O-CB 3.17Å; I453-F457 PolarHBondContact O-N 3.06Å; E454-F457 PolarHBondContact O-N 3.05Å; R455-F457 VanDerWaalsContact C-N 3.32Å; R455-F457 PolarHBondContact O-N 3.37Å; F457-I459 VanDerWaalsContact C-N 3.33Å; F457-I459 PolarHBondContact O-N 3.07Å; F457-F460 PolarHBondContact O-N 2.93Å; F457-I461 HydrophobicContact CD1-CG1 4.45Å; F457-I461 HydrophobicContact CD2-CG1 4.36Å; F457-I461 HydrophobicContact CE1-CG1 4.08Å; F457-I461 HydrophobicContact CE2-CD1 4.04Å; F457-I461 HydrophobicContact CE2-CG1 3.99Å; F457-I461 HydrophobicContact CZ-CD1 4.05Å; F457-I461 HydrophobicContact CZ-CG1 3.85Å; F457-I461 WeakPolarHBondContact O-CG1 3.14Å; F457-I461 PolarHBondContact O-N 3.33Å; F457-M806 HydrophobicContact CE2-CE 4.47Å
458N93.3Very high89Confident1 Ų143.6 Ų43.61%0.00523%0.226CC..Hα-helixtrans-62.9-36.9177.2-73.3-25.7000112.8E454 R455 G462 C529 G585E454-N458 WeakPolarHBondContact O-CB 3.46Å; E454-N458 VanDerWaalsContact O-CG 3.27Å; E454-N458 PolarHBondContact O-N 3.26Å; E454-N458 PolarHBondContact O-ND2 2.96Å; R455-N458 PolarHBondContact O-N 3.02Å; N458-G462 PolarHBondContact O-N 2.97Å; N458-C529 WeakPolarHBondContact CB-O 3.45Å; N458-C529 PolarHBondContact ND2-O 3.17Å; N458-G585 PolarHBondContact OD1-N 3.48Å
459I90.6Very high89.7Confident25 Ų2538.9 Ų38.913%0.12820%0.196CC..Hα-helixtrans-63.6-49.5172.6-68.2168.2000110.2R455 N456 F457 I461 G462 S463 E490 C530R455-I459 VanDerWaalsContact O-CG1 3.24Å; R455-I459 WeakPolarHBondContact O-CG1 3.49Å; R455-I459 PolarHBondContact O-N 2.87Å; N456-I459 PolarHBondContact O-N 3.29Å; F457-I459 VanDerWaalsContact C-N 3.33Å; F457-I459 PolarHBondContact O-N 3.07Å; I459-I461 PolarHBondContact O-N 3.13Å; I459-G462 CarbonylContact O-C 3.55Å; I459-G462 PolarHBondContact O-N 3.27Å; I459-G462 VanDerWaalsContact O-N 3.14Å; I459-S463 WeakPolarHBondContact O-CB 3.32Å; I459-S463 PolarHBondContact O-N 3.07Å; I459-S463 PolarHBondContact O-OG 3.3Å; I459-E490 HydrophobicContact CG2-CG 4.34Å; I459-C530 HydrophobicContact CD1-CB 4.03Å; I459-C530 HydrophobicContact CG1-CB 3.44Å; I459-C530 VanDerWaalsContact CG1-CB 3.44Å
460F88.3Confident90.3Very high25 Ų2535.3 Ų35.311%0.1117%0.167CC..Hα-helixtrans-57.8-48.9-179.9168.5-91.9000111.9N456 F457 G462 S463 H464 L483 L484N456-F460 WeakPolarHBondContact O-CB 3.3Å; N456-F460 PolarHBondContact O-N 3.22Å; F457-F460 PolarHBondContact O-N 2.93Å; F460-G462 VanDerWaalsContact C-N 3.33Å; F460-G462 PolarHBondContact O-N 2.89Å; F460-S463 PolarHBondContact O-N 2.75Å; F460-H464 AromaticContact CD2-CE1 3.91Å; F460-H464 AromaticContact CE2-CE1 3.75Å; F460-H464 PolarHBondContact O-ND1 2.67Å; F460-L483 HydrophobicContact CE2-CB 4.49Å; F460-L483 HydrophobicContact CZ-CB 3.73Å; F460-L484 HydrophobicContact CD1-CD2 4.26Å; F460-L484 HydrophobicContact CE1-CD2 3.45Å; F460-L484 VanDerWaalsContact CE1-CD2 3.45Å; F460-L484 HydrophobicContact CE1-CG 4.19Å; F460-L484 HydrophobicContact CZ-CD2 3.63Å; F460-L484 HydrophobicContact CZ-CG 4.14Å
461I89.2Confident90.3Very high13 Ų1331.9 Ų31.97%0.06715%0.148CC..Hα-helixtrans-61.5-43175-63.4-61.4000110.9F457 I459 S463 A469 S472 W475F457-I461 HydrophobicContact CD1-CG1 4.45Å; F457-I461 HydrophobicContact CD2-CG1 4.36Å; F457-I461 HydrophobicContact CE1-CG1 4.08Å; F457-I461 HydrophobicContact CE2-CD1 4.04Å; F457-I461 HydrophobicContact CE2-CG1 3.99Å; F457-I461 HydrophobicContact CZ-CD1 4.05Å; F457-I461 HydrophobicContact CZ-CG1 3.85Å; F457-I461 WeakPolarHBondContact O-CG1 3.14Å; F457-I461 PolarHBondContact O-N 3.33Å; I459-I461 PolarHBondContact O-N 3.13Å; I461-S463 VanDerWaalsContact C-N 3.28Å; I461-S463 PolarHBondContact O-N 3.05Å; I461-A469 HydrophobicContact CG2-CB 3.72Å; I461-S472 WeakPolarHBondContact CG2-OG 3.5Å; I461-W475 HydrophobicContact CD1-CH2 4.04Å; I461-W475 HydrophobicContact CD1-CZ3 3.55Å; I461-W475 HydrophobicContact CG2-CH2 4.39Å
462G89.6Confident90.3Very high1 Ų126.8 Ų26.81%0.0113%0.125CC..Hα-helixtrans-68.4-18.2179.500000115.7N458 I459 F460 Y467 L493N458-G462 PolarHBondContact O-N 2.97Å; I459-G462 CarbonylContact O-C 3.55Å; I459-G462 PolarHBondContact O-N 3.27Å; I459-G462 VanDerWaalsContact O-N 3.14Å; F460-G462 VanDerWaalsContact C-N 3.33Å; F460-G462 PolarHBondContact O-N 2.89Å; G462-Y467 WeakPolarHBondContact O-CD1 3.42Å; G462-L493 WeakPolarHBondContact O-CD2 3.35Å
463S87.6Confident90.1Very high5 Ų522.8 Ų22.84%0.03511%0.106CC..THydrogen-bonded Turntrans-86.3-9.9-175.3-57.20000114.1I459 F460 I461 Y467 H488I459-S463 WeakPolarHBondContact O-CB 3.32Å; I459-S463 PolarHBondContact O-N 3.07Å; I459-S463 PolarHBondContact O-OG 3.3Å; F460-S463 PolarHBondContact O-N 2.75Å; I461-S463 VanDerWaalsContact C-N 3.28Å; I461-S463 PolarHBondContact O-N 3.05Å; S463-Y467 WeakPolarHBondContact O-CE1 3.05Å; S463-H488 PolarHBondContact OG-NE2 3.49Å
464H87.1Confident89.6Confident37 Ų3723 Ų2317%0.17111%0.108CC..SBendtrans-116.7138.4-174.1-62.695.4000111F460 Y467 W475 L483F460-H464 AromaticContact CD2-CE1 3.91Å; F460-H464 AromaticContact CE2-CE1 3.75Å; F460-H464 PolarHBondContact O-ND1 2.67Å; H464-Y467 WeakPolarHBondContact O-CA 3.38Å; H464-Y467 PolarHBondContact O-N 2.73Å; H464-W475 HydrophobicContact CB-CH2 3.95Å; H464-W475 HydrophobicContact CB-CZ2 3.72Å; H464-L483 HydrophobicContact CB-CD1 4.01Å; H464-L483 VanDerWaalsContact CD2-CD2 3.49Å; H464-L483 WeakPolarHBondContact CD2-CD2 3.36Å
465K85.2Confident89.1Confident63 Ų6323.1 Ų23.127%0.27411%0.107SC..THydrogen-bonded Turntrans-51.6129177-169-179.8179179.10109.4Y467 W475 I857K465-Y467 HydrophobicContact CB-CD2 4.42Å; K465-Y467 HydrophobicContact CB-CE2 3.86Å; K465-Y467 HydrophobicContact CG-CE2 4.07Å; K465-W475 PolarHBondContact O-NE1 3.5Å; K465-W475 VanDerWaalsContact O-NE1 3.16Å; K465-I857 HydrophobicContact CD-CD1 3.97Å; K465-I857 HydrophobicContact CD-CG1 4.25Å; K465-I857 HydrophobicContact CD-CG2 4.06Å; K465-I857 VanDerWaalsContact NZ-CG2 3.29Å
466P88.2Confident88.1Confident0 Ų021.3 Ų21.30%011%0.106CC..THydrogen-bonded Turncis-89.816.815.535.3-36.2000117.2C468 C471 S497 H534P466-C468 PolarHBondContact O-N 3.43Å; P466-C471 HydrophobicContact CB-CB 4.17Å; P466-C471 HydrophobicContact CG-CB 3.32Å; P466-S497 PolarHBondContact O-OG 3.39Å; P466-H534 PolarHBondContact O-CE1 2.91Å; P466-H534 PolarHBondContact O-NE2 3.02Å
467Y91.4Very high87.2Confident54 Ų5418.6 Ų18.621%0.2129%0.093CC..  trans62.724.6179-45.5-79.5000113.5G462 S463 H464 K465 P494 T532G462-Y467 WeakPolarHBondContact O-CD1 3.42Å; S463-Y467 WeakPolarHBondContact O-CE1 3.05Å; H464-Y467 WeakPolarHBondContact O-CA 3.38Å; H464-Y467 PolarHBondContact O-N 2.73Å; K465-Y467 HydrophobicContact CB-CD2 4.42Å; K465-Y467 HydrophobicContact CB-CE2 3.86Å; K465-Y467 HydrophobicContact CG-CE2 4.07Å; Y467-P494 HydrophobicContact CD2-CG 3.63Å; Y467-P494 HydrophobicContact CE2-CG 3.74Å; Y467-P494 HydrophobicContact CG-CG 4.11Å; Y467-T532 WeakPolarHBondContact O-CG2 3.3Å
468C93.8Very high86.2Confident0 Ų021.9 Ų21.90%011%0.108CC..  trans-140.6119.1-172.4171.10000111.1P466 V470 C471 S472 T532 H534P466-C468 PolarHBondContact O-N 3.43Å; C468-V470 PolarHBondContact O-N 2.72Å; C468-V470 VanDerWaalsContact O-N 3.13Å; C468-C471 HydrophobicContact CB-CB 4.05Å; C468-C471 CarbonylContact O-C 3.42Å; C468-C471 PolarHBondContact O-N 3.35Å; C468-S472 PolarHBondContact O-N 3.27Å; C468-T532 WeakPolarHBondContact CA-O 3.49Å; C468-H534 VanDerWaalsContact CB-CE1 3.49Å; C468-H534 WeakPolarHBondContact CB-CE1 2.9Å; C468-H534 WeakPolarHBondContact CB-ND1 3.46Å; C468-H534 PolarHBondContact SG-N 2.82Å; C468-H534 PolarHBondContact SG-ND1 2.86Å
469A94Very high85.3Confident11 Ų1123.3 Ų23.39%0.09112%0.115CC..THydrogen-bonded Turntrans-67.3-9.9-17800000115I461 S472 L531 T532 V533I461-A469 HydrophobicContact CG2-CB 3.72Å; A469-S472 WeakPolarHBondContact CA-OG 3.35Å; A469-S472 PolarHBondContact O-OG 3.29Å; A469-L531 HydrophobicContact CB-CD1 3.61Å; A469-T532 PolarHBondContact N-O 3.35Å; A469-V533 HydrophobicContact CB-CG1 4.3Å
470V93.6Very high84.7Confident0 Ų022.6 Ų22.60%011%0.112CC..THydrogen-bonded Turntrans-86.5-42.8168.5-169.60000109.8C468 F473 I501 Y506 V533 C537 A586 L606 V607C468-V470 PolarHBondContact O-N 2.72Å; C468-V470 VanDerWaalsContact O-N 3.13Å; V470-F473 WeakPolarHBondContact O-CB 3.32Å; V470-F473 PolarHBondContact O-N 3.09Å; V470-I501 HydrophobicContact CG1-CD1 4.05Å; V470-I501 WeakPolarHBondContact O-CD1 3.45Å; V470-Y506 WeakPolarHBondContact CG1-OH 3.3Å; V470-V533 HydrophobicContact CG2-CG1 4.12Å; V470-C537 HydrophobicContact CB-CB 4.04Å; V470-C537 HydrophobicContact CG1-CB 4.39Å; V470-C537 HydrophobicContact CG2-CB 4.22Å; V470-A586 HydrophobicContact CG2-CB 3.56Å; V470-L606 HydrophobicContact CG1-CB 4.25Å; V470-L606 HydrophobicContact CG2-CB 4.29Å; V470-L606 HydrophobicContact CG2-CD1 3.84Å; V470-V607 HydrophobicContact CG1-CG1 4.15Å
471C90.8Very high83.9Confident0 Ų023.6 Ų23.60%012%0.121CC..G310 helixtrans-79.9-21.6-178.5-68.90000114.1P466 C468 F473 L474 H500 C537P466-C471 HydrophobicContact CB-CB 4.17Å; P466-C471 HydrophobicContact CG-CB 3.32Å; C468-C471 HydrophobicContact CB-CB 4.05Å; C468-C471 CarbonylContact O-C 3.42Å; C468-C471 PolarHBondContact O-N 3.35Å; C471-F473 PolarHBondContact O-N 3.23Å; C471-F473 VanDerWaalsContact O-N 3.08Å; C471-L474 PolarHBondContact O-N 3.02Å; C471-H500 HydrophobicContact CB-CB 4.12Å; C471-H500 PolarHBondContact SG-N 2.66Å; C471-H500 VanDerWaalsContact SG-N 3.39Å; C471-C537 PolarHBondContact SG-SG 3.02Å
472S89.4Confident83.3Confident3 Ų329.5 Ų29.52%0.02115%0.147CC..G310 helixtrans-63.7-7169.865.60000113.3I461 C468 A469 W475 Q805I461-S472 WeakPolarHBondContact CG2-OG 3.5Å; C468-S472 PolarHBondContact O-N 3.27Å; A469-S472 WeakPolarHBondContact CA-OG 3.35Å; A469-S472 PolarHBondContact O-OG 3.29Å; S472-W475 WeakPolarHBondContact O-CB 3.19Å; S472-W475 PolarHBondContact O-N 3.35Å; S472-Q805 PolarHBondContact O-NE2 3.43Å
473F86.1Confident82.7Confident2 Ų230.2 Ų30.21%0.00915%0.15CC..G310 helixtrans-64-27.9168-171.4-116.4000113.5V470 C471 W475 V607 I611 V801 I811 F820V470-F473 WeakPolarHBondContact O-CB 3.32Å; V470-F473 PolarHBondContact O-N 3.09Å; C471-F473 PolarHBondContact O-N 3.23Å; C471-F473 VanDerWaalsContact O-N 3.08Å; F473-W475 VanDerWaalsContact C-N 3.28Å; F473-W475 PolarHBondContact O-N 3.39Å; F473-V607 HydrophobicContact CB-CB 4.39Å; F473-V607 HydrophobicContact CB-CG1 3.7Å; F473-V607 HydrophobicContact CD1-CB 4.39Å; F473-V607 HydrophobicContact CD1-CG1 4.38Å; F473-V607 HydrophobicContact CD2-CB 3.7Å; F473-V607 HydrophobicContact CD2-CG1 3.94Å; F473-V607 HydrophobicContact CD2-CG2 4.19Å; F473-V607 HydrophobicContact CE2-CB 4.04Å; F473-V607 HydrophobicContact CE2-CG2 4.48Å; F473-V607 HydrophobicContact CG-CB 3.9Å; F473-V607 HydrophobicContact CG-CG1 3.75Å; F473-V607 HydrophobicContact CZ-CB 4.49Å; F473-I611 HydrophobicContact CE1-CD1 3.64Å; F473-I611 HydrophobicContact CE1-CG1 4.22Å; F473-I611 HydrophobicContact CZ-CD1 3.51Å; F473-I611 HydrophobicContact CZ-CG1 4.2Å; F473-V801 HydrophobicContact CE2-CG1 3.38Å; F473-V801 HydrophobicContact CZ-CG1 3.51Å; F473-I811 HydrophobicContact CD1-CG2 4.35Å; F473-I811 HydrophobicContact CD2-CD1 4.4Å; F473-I811 HydrophobicContact CE1-CG2 3.62Å; F473-I811 HydrophobicContact CE2-CD1 3.57Å; F473-I811 HydrophobicContact CE2-CG2 4.19Å; F473-I811 HydrophobicContact CZ-CD1 3.84Å; F473-I811 HydrophobicContact CZ-CG2 3.52Å; F473-F820 HydrophobicContact CE1-CD1 4.42Å
474L79.7Confident82.1Confident38 Ų3831.5 Ų31.520%0.19916%0.157CC..G310 helixtrans-87.610.2175.7-64.8-178.9000113.4C471 T476 H500 I501 T813 F820C471-L474 PolarHBondContact O-N 3.02Å; L474-T476 PolarHBondContact O-N 2.97Å; L474-H500 HydrophobicContact CD1-CB 4.08Å; L474-I501 HydrophobicContact CD1-CG1 3.67Å; L474-I501 HydrophobicContact CG-CG1 4.09Å; L474-T813 HydrophobicContact CD1-CG2 4.17Å; L474-T813 HydrophobicContact CD2-CG2 3.65Å; L474-F820 HydrophobicContact CD2-CD1 4.1Å; L474-F820 HydrophobicContact CD2-CE1 3.94Å
475W80.2Confident81.2Confident20 Ų2034.6 Ų34.68%0.07618%0.182CC..  trans-70.6129.1170.2-70.2-18.2000110.2I461 H464 K465 S472 F473 H479 V480 L483I461-W475 HydrophobicContact CD1-CH2 4.04Å; I461-W475 HydrophobicContact CD1-CZ3 3.55Å; I461-W475 HydrophobicContact CG2-CH2 4.39Å; H464-W475 HydrophobicContact CB-CH2 3.95Å; H464-W475 HydrophobicContact CB-CZ2 3.72Å; K465-W475 PolarHBondContact O-NE1 3.5Å; K465-W475 VanDerWaalsContact O-NE1 3.16Å; S472-W475 WeakPolarHBondContact O-CB 3.19Å; S472-W475 PolarHBondContact O-N 3.35Å; F473-W475 VanDerWaalsContact C-N 3.28Å; F473-W475 PolarHBondContact O-N 3.39Å; W475-H479 HydrophobicContact CB-CB 4.44Å; W475-H479 AromaticContact CD1-CD2 3.64Å; W475-H479 AromaticContact CD1-NE2 3.99Å; W475-H479 AromaticContact CD2-CD2 3.81Å; W475-H479 AromaticContact CG-CD2 3.55Å; W475-H479 AromaticContact NE1-CD2 3.93Å; W475-H479 AromaticContact NE1-NE2 3.87Å; W475-V480 HydrophobicContact CB-CG2 3.75Å; W475-V480 HydrophobicContact CE3-CG2 4.32Å; W475-L483 HydrophobicContact CD2-CD1 4.23Å; W475-L483 HydrophobicContact CE3-CD1 3.95Å; W475-L483 HydrophobicContact CH2-CD1 3.62Å; W475-L483 HydrophobicContact CZ2-CD1 3.91Å; W475-L483 HydrophobicContact CZ3-CD1 3.63Å
476T72Confident80.2Confident49 Ų4934 Ų3430%0.30119%0.186SC..  trans-63.9154.1176.176.90000110.8L474 Q478 H479 V480 P856L474-T476 PolarHBondContact O-N 2.97Å; T476-Q478 PolarHBondContact O-N 3.07Å; T476-Q478 VanDerWaalsContact O-N 3.14Å; T476-Q478 PolarHBondContact OG1-OE1 3.49Å; T476-H479 WeakPolarHBondContact O-CA 3.4Å; T476-H479 WeakPolarHBondContact O-CB 3.36Å; T476-H479 PolarHBondContact O-N 2.56Å; T476-H479 PolarHBondContact OG1-N 2.87Å; T476-V480 PolarHBondContact O-N 3.05Å; T476-P856 HydrophobicContact CG2-CB 4.07Å
477P70.9Confident78.7Confident20 Ų2037.5 Ų37.513%0.1322%0.222CC..Hα-helixtrans-51.3-38.3176.7-32.539000114.3V480 S481 G808 V810P477-V480 PolarHBondContact O-N 2.9Å; P477-S481 VanDerWaalsContact O-CB 3.27Å; P477-S481 WeakPolarHBondContact O-CB 3.38Å; P477-S481 PolarHBondContact O-N 3.33Å; P477-G808 VanDerWaalsContact CB-O 3.26Å; P477-G808 WeakPolarHBondContact CB-O 3.23Å; P477-G808 VanDerWaalsContact CG-O 3.25Å; P477-G808 WeakPolarHBondContact CG-O 3.23Å; P477-V810 HydrophobicContact CG-CG2 4.05Å
478Q69.5Low77.2Confident93 Ų9338.8 Ų38.844%0.43523%0.23SC..Hα-helixtrans-70.1-35178.6-43.381.62.300111.2E239 T476 K482E239-Q478 PolarHBondContact OE1-NE2 2.87Å; T476-Q478 PolarHBondContact O-N 3.07Å; T476-Q478 VanDerWaalsContact O-N 3.14Å; T476-Q478 PolarHBondContact OG1-OE1 3.49Å; Q478-K482 VanDerWaalsContact O-CB 3.25Å; Q478-K482 WeakPolarHBondContact O-CB 3.25Å; Q478-K482 PolarHBondContact O-N 2.9Å
479H75.3Confident75.4Confident31 Ų3148.6 Ų48.614%0.14427%0.267CS..Hα-helixtrans-68.1-46.9174.3-165.983.9000111.4W475 T476 S481 K482 L483 P856W475-H479 HydrophobicContact CB-CB 4.44Å; W475-H479 AromaticContact CD1-CD2 3.64Å; W475-H479 AromaticContact CD1-NE2 3.99Å; W475-H479 AromaticContact CD2-CD2 3.81Å; W475-H479 AromaticContact CG-CD2 3.55Å; W475-H479 AromaticContact NE1-CD2 3.93Å; W475-H479 AromaticContact NE1-NE2 3.87Å; T476-H479 WeakPolarHBondContact O-CA 3.4Å; T476-H479 WeakPolarHBondContact O-CB 3.36Å; T476-H479 PolarHBondContact O-N 2.56Å; T476-H479 PolarHBondContact OG1-N 2.87Å; H479-S481 VanDerWaalsContact C-N 3.33Å; H479-S481 PolarHBondContact O-N 2.81Å; H479-K482 PolarHBondContact O-N 2.87Å; H479-L483 WeakPolarHBondContact NE2-CD1 3.41Å; H479-L483 WeakPolarHBondContact O-CB 3.48Å; H479-L483 WeakPolarHBondContact O-CG 3.42Å; H479-L483 PolarHBondContact O-N 2.92Å; H479-P856 HydrophobicContact CB-CG 4.26Å
480V76.2Confident73.9Confident10 Ų1053.3 Ų53.36%0.06129%0.287CS..Hα-helixtrans-56.1-48.3174.2176.30000110.7W475 T476 P477 L483 L484W475-V480 HydrophobicContact CB-CG2 3.75Å; W475-V480 HydrophobicContact CE3-CG2 4.32Å; T476-V480 PolarHBondContact O-N 3.05Å; P477-V480 PolarHBondContact O-N 2.9Å; V480-L483 PolarHBondContact O-N 2.89Å; V480-L484 HydrophobicContact CG1-CD1 3.67Å; V480-L484 HydrophobicContact CG1-CG 4.42Å; V480-L484 WeakPolarHBondContact O-CB 3.49Å; V480-L484 WeakPolarHBondContact O-CG 2.97Å; V480-L484 PolarHBondContact O-N 2.74Å
481S72.6Confident72.3Confident45 Ų4558.3 Ų58.332%0.31531%0.314SS..Hα-helixtrans-60.2-48.1177.8-1720000112.8P477 H479 L484 S485P477-S481 VanDerWaalsContact O-CB 3.27Å; P477-S481 WeakPolarHBondContact O-CB 3.38Å; P477-S481 PolarHBondContact O-N 3.33Å; H479-S481 VanDerWaalsContact C-N 3.33Å; H479-S481 PolarHBondContact O-N 2.81Å; S481-L484 PolarHBondContact O-N 2.86Å; S481-S485 WeakPolarHBondContact O-CB 3.16Å; S481-S485 PolarHBondContact O-N 2.75Å; S481-S485 PolarHBondContact O-OG 3Å
482K76.3Confident71.6Confident138 Ų13868.4 Ų68.460%0.636%0.357SS*.Hα-helixtrans-60.2-47.7177.3-177.8-177.8178-173.80111.5Q478 H479 S485 S486Q478-K482 VanDerWaalsContact O-CB 3.25Å; Q478-K482 WeakPolarHBondContact O-CB 3.25Å; Q478-K482 PolarHBondContact O-N 2.9Å; H479-K482 PolarHBondContact O-N 2.87Å; K482-S485 PolarHBondContact O-N 2.76Å; K482-S486 WeakPolarHBondContact O-CB 3.39Å; K482-S486 PolarHBondContact O-N 2.7Å; K482-S486 VanDerWaalsContact O-N 3.17Å
483L77Confident71.3Confident16 Ų1670.8 Ų70.88%0.08437%0.37CS..Hα-helixtrans-63.8-48-179.8-70.5-170.9000111.4F460 H464 W475 H479 V480 S485 S486F460-L483 HydrophobicContact CE2-CB 4.49Å; F460-L483 HydrophobicContact CZ-CB 3.73Å; H464-L483 HydrophobicContact CB-CD1 4.01Å; H464-L483 VanDerWaalsContact CD2-CD2 3.49Å; H464-L483 WeakPolarHBondContact CD2-CD2 3.36Å; W475-L483 HydrophobicContact CD2-CD1 4.23Å; W475-L483 HydrophobicContact CE3-CD1 3.95Å; W475-L483 HydrophobicContact CH2-CD1 3.62Å; W475-L483 HydrophobicContact CZ2-CD1 3.91Å; W475-L483 HydrophobicContact CZ3-CD1 3.63Å; H479-L483 WeakPolarHBondContact NE2-CD1 3.41Å; H479-L483 WeakPolarHBondContact O-CB 3.48Å; H479-L483 WeakPolarHBondContact O-CG 3.42Å; H479-L483 PolarHBondContact O-N 2.92Å; V480-L483 PolarHBondContact O-N 2.89Å; L483-S485 PolarHBondContact O-N 3.49Å; L483-S486 PolarHBondContact O-N 2.86Å; L483-S486 PolarHBondContact O-OG 2.72Å
484L74.3Confident71.3Confident32 Ų3272.6 Ų72.617%0.16838%0.382CS..Hα-helixtrans-68.2-20.8-178.8-69.6173.4000113.4H433 L440 F460 V480 S481 M806H433-L484 HydrophobicContact CB-CD1 3.62Å; L440-L484 HydrophobicContact CD1-CD2 4.19Å; F460-L484 HydrophobicContact CD1-CD2 4.26Å; F460-L484 HydrophobicContact CE1-CD2 3.45Å; F460-L484 VanDerWaalsContact CE1-CD2 3.45Å; F460-L484 HydrophobicContact CE1-CG 4.19Å; F460-L484 HydrophobicContact CZ-CD2 3.63Å; F460-L484 HydrophobicContact CZ-CG 4.14Å; V480-L484 HydrophobicContact CG1-CD1 3.67Å; V480-L484 HydrophobicContact CG1-CG 4.42Å; V480-L484 WeakPolarHBondContact O-CB 3.49Å; V480-L484 WeakPolarHBondContact O-CG 2.97Å; V480-L484 PolarHBondContact O-N 2.74Å; S481-L484 PolarHBondContact O-N 2.86Å; L484-M806 HydrophobicContact CD1-CE 4.24Å
485S68.6Low71.7Confident101 Ų10177.5 Ų77.571%0.70641%0.407SS*.Hα-helixtrans-84.7-15.2171.9-54.90000113.3S481 K482 L483S481-S485 WeakPolarHBondContact O-CB 3.16Å; S481-S485 PolarHBondContact O-N 2.75Å; S481-S485 PolarHBondContact O-OG 3Å; K482-S485 PolarHBondContact O-N 2.76Å; L483-S485 PolarHBondContact O-N 3.49Å
486S64Low72.1Confident51 Ų5182.7 Ų82.736%0.35743%0.428SS..SBendtrans-94.5147.1-176.771.50000112.6K482 L483K482-S486 WeakPolarHBondContact O-CB 3.39Å; K482-S486 PolarHBondContact O-N 2.7Å; K482-S486 VanDerWaalsContact O-N 3.17Å; L483-S486 PolarHBondContact O-N 2.86Å; L483-S486 PolarHBondContact O-OG 2.72Å
487G56.2Low72.9Confident73 Ų7380.9 Ų80.975%0.75342%0.417SS*.PPolyproline II helixtrans-69135.5173.900000111.7
488H59.8Low73.5Confident82 Ų8281.8 Ų81.838%0.3842%0.42SS..PPolyproline II helixtrans-68.2137.1177.1176-108000111.8S463S463-H488 PolarHBondContact OG-NE2 3.49Å
489R56.9Low74.3Confident206 Ų20678.1 Ų78.178%0.77740%0.404SS*.  trans-124.1131.9157.3-70.7-173.6174.9-167.4-1.6107.3D491R489-D491 PolarHBondContact O-N 2.83Å; R489-D491 VanDerWaalsContact O-N 3.08Å
490E62.1Low74.7Confident110 Ų11078.7 Ų78.751%0.51441%0.406SS..  trans-81.587.1177.6-147.7175.3-174.400109.1I459 R525I459-E490 HydrophobicContact CG2-CG 4.34Å; E490-R525 IonicContact OE1-CZ 3.24Å; E490-R525 IonicContact OE1-NH1 3.52Å; E490-R525 PolarHBondContact OE1-NH1 2.82Å; E490-R525 IonicContact OE1-NH2 2.89Å; E490-R525 PolarHBondContact OE1-NH2 3.09Å
491D61.3Low74.8Confident105 Ų10578.3 Ų78.356%0.56140%0.404SS*.  trans-64.5153.4172.3-75.9-28.9000110.9R489 L493R489-D491 PolarHBondContact O-N 2.83Å; R489-D491 VanDerWaalsContact O-N 3.08Å; D491-L493 PolarHBondContact O-N 3.26Å
492K75.4Confident74.9Confident211 Ų21178.5 Ų78.592%0.91740%0.404SS*.  trans-64.2108177.2-74.2-176178.5178.40109.8
493L82.1Confident74.8Confident54 Ų5473.6 Ų73.628%0.28338%0.384SS..  trans-49.7124.2174.4-80.5154.1000111.2G462 D491 I523 T532G462-L493 WeakPolarHBondContact O-CD2 3.35Å; D491-L493 PolarHBondContact O-N 3.26Å; L493-I523 HydrophobicContact CD2-CG2 4.21Å; L493-T532 HydrophobicContact CD2-CG2 3.75Å
494P87.6Confident74.6Confident40 Ų4074 Ų7426%0.2639%0.387SS..  trans-70.6147.2175.830.7-34.8000110.1Y467 Y496 I523Y467-P494 HydrophobicContact CD2-CG 3.63Å; Y467-P494 HydrophobicContact CE2-CG 3.74Å; Y467-P494 HydrophobicContact CG-CG 4.11Å; P494-Y496 PolarHBondContact O-N 2.9Å; P494-I523 WeakPolarHBondContact O-CB 3.33Å; P494-I523 WeakPolarHBondContact O-CG1 3.4Å
495L86.5Confident74.5Confident140 Ų14073 Ų7373%0.73338%0.383SS*.SBendtrans-63.7-31.6176.6-70.3170.1000112.4R522 I523L495-R522 WeakPolarHBondContact O-CA 3.44Å; L495-I523 PolarHBondContact O-N 2.92Å
496Y88.7Confident75Confident129 Ų12968.3 Ų68.351%0.50635%0.35SS..EExtended strand (participates in β ladder)trans-142.9148.4-179.3-63.1-100.3000110.5P494 S521 R522P494-Y496 PolarHBondContact O-N 2.9Å; Y496-S521 VanDerWaalsContact CA-O 3.28Å; Y496-S521 WeakPolarHBondContact CA-O 3.27Å; Y496-R522 HydrophobicContact CD1-CB 3.96Å; Y496-R522 HydrophobicContact CE1-CB 3.7Å; Y496-R522 HydrophobicContact CE1-CG 4.32Å
497S89.5Confident75.2Confident11 Ų1167 Ų678%0.07734%0.338CS..EExtended strand (participates in β ladder)trans-154.3168.1166.964.60000111P466 P499 S521 H534P466-S497 PolarHBondContact O-OG 3.39Å; S497-P499 WeakPolarHBondContact O-CD 3.26Å; S497-S521 PolarHBondContact N-O 3.24Å; S497-S521 PolarHBondContact O-N 3.14Å; S497-H534 PolarHBondContact O-CD2 3.29Å; S497-H534 PolarHBondContact O-NE2 3.35Å; S497-H534 PolarHBondContact OG-NE2 3.37Å
498E84.8Confident75.2Confident39 Ų3965.5 Ų65.518%0.18232%0.316CS..  trans-73.8131.7178.1-69.198.6-128.700112.9H500 I518 K520 H534E498-H500 PolarHBondContact O-N 2.93Å; E498-I518 HydrophobicContact CB-CG2 4.45Å; E498-I518 HydrophobicContact CG-CG2 4.34Å; E498-K520 HydrophobicContact CG-CG 4.22Å; E498-K520 WeakPolarHBondContact OE1-CE 3.14Å; E498-K520 VanDerWaalsContact OE1-CG 3.28Å; E498-K520 WeakPolarHBondContact OE1-CG 3.28Å; E498-K520 IonicContact OE1-NZ 2.7Å; E498-H534 PolarHBondContact O-CE1 3Å; E498-H534 PolarHBondContact O-NE2 3.06Å
499P85.1Confident74.6Confident16 Ų1668.4 Ų68.410%0.10432%0.324CS..  trans-59124.3159.2-25.937.8000111.9S497 H534S497-P499 WeakPolarHBondContact O-CD 3.26Å; P499-H534 HydrophobicContact CG-CB 4.32Å
500H84.2Confident74Confident43 Ų4365.3 Ų65.320%0.19932%0.323CS..SBendtrans-78.9-24.9170.6-69.8-165.4000112.3C471 L474 E498C471-H500 HydrophobicContact CB-CB 4.12Å; C471-H500 PolarHBondContact SG-N 2.66Å; C471-H500 VanDerWaalsContact SG-N 3.39Å; L474-H500 HydrophobicContact CD1-CB 4.08Å; E498-H500 PolarHBondContact O-N 2.93Å
501I78.9Confident73.2Confident2 Ų262 Ų621%0.0131%0.313CS..SBendtrans-91.5117.1174.6-68.9170000108.5V470 L474 A505 Y506 L610 F820V470-I501 HydrophobicContact CG1-CD1 4.05Å; V470-I501 WeakPolarHBondContact O-CD1 3.45Å; L474-I501 HydrophobicContact CD1-CG1 3.67Å; L474-I501 HydrophobicContact CG-CG1 4.09Å; I501-A505 HydrophobicContact CG2-CB 3.68Å; I501-Y506 HydrophobicContact CG2-CE2 3.63Å; I501-L610 HydrophobicContact CD1-CD1 4.33Å; I501-F820 HydrophobicContact CD1-CZ 4.34Å; I501-F820 HydrophobicContact CG1-CE1 4.27Å; I501-F820 HydrophobicContact CG1-CZ 4.2Å; I501-F820 HydrophobicContact CG2-CZ 3.92Å
502P74.5Confident72.2Confident49 Ų4967.3 Ų67.332%0.31833%0.331SS..  trans-72.9158.4-176.832-36.6000111.7V504 A505P502-V504 HydrophobicContact CB-CG1 4.03Å; P502-V504 HydrophobicContact CG-CG1 3.93Å; P502-V504 PolarHBondContact O-N 2.99Å; P502-A505 HydrophobicContact CG-CB 4.2Å; P502-A505 VanDerWaalsContact O-CB 3.28Å; P502-A505 WeakPolarHBondContact O-CB 3.42Å; P502-A505 PolarHBondContact O-N 3.09Å; P502-A505 VanDerWaalsContact O-N 3.08Å
503E74.5Confident70.7Confident36 Ų3660.4 Ų60.417%0.16831%0.306CS..G310 helixtrans-55.3-39.1177.7-74.4-66.9164.900112.6A505 Y506 H507 F515 R536 R623E503-A505 PolarHBondContact O-N 3.34Å; E503-A505 VanDerWaalsContact O-N 3.15Å; E503-Y506 WeakPolarHBondContact O-CD2 3.48Å; E503-Y506 PolarHBondContact O-N 2.99Å; E503-Y506 VanDerWaalsContact O-N 3.1Å; E503-H507 PolarHBondContact O-CE1 3.44Å; E503-H507 VanDerWaalsContact O-CE1 3.31Å; E503-H507 PolarHBondContact O-ND1 3.04Å; E503-F515 HydrophobicContact CB-CD1 4.37Å; E503-R536 VanDerWaalsContact CD-NH2 3.33Å; E503-R536 IonicContact OE1-CZ 2.66Å; E503-R536 VanDerWaalsContact OE1-CZ 3.27Å; E503-R536 IonicContact OE1-NE 2.6Å; E503-R536 PolarHBondContact OE1-NE 3.06Å; E503-R536 IonicContact OE1-NH2 2.66Å; E503-R536 PolarHBondContact OE1-NH2 2.95Å; E503-R623 IonicContact OE1-NH1 2.71Å; E503-R623 IonicContact OE1-NH2 2.91Å; E503-R623 PolarHBondContact OE1-NH2 3.12Å; E503-R623 VanDerWaalsContact OE1-NH2 3.1Å; E503-R623 IonicContact OE2-CZ 3.33Å; E503-R623 IonicContact OE2-NH1 2.7Å; E503-R623 PolarHBondContact OE2-NH1 2.98Å; E503-R623 IonicContact OE2-NH2 3.34Å; E503-R623 PolarHBondContact OE2-NH2 3.28Å
504V71.2Confident68.7Low25 Ų2566.8 Ų66.815%0.15233%0.334CS..G310 helixtrans-59.7-26.6-179.465.40000112.7P502 Y506 H507 F515 Y816 F819P502-V504 HydrophobicContact CB-CG1 4.03Å; P502-V504 HydrophobicContact CG-CG1 3.93Å; P502-V504 PolarHBondContact O-N 2.99Å; V504-Y506 PolarHBondContact O-N 2.93Å; V504-Y506 VanDerWaalsContact O-N 3.11Å; V504-H507 WeakPolarHBondContact CA-ND1 3.33Å; V504-H507 PolarHBondContact O-N 3.21Å; V504-F515 HydrophobicContact CB-CD1 4.04Å; V504-F515 HydrophobicContact CB-CE1 3.52Å; V504-F515 HydrophobicContact CB-CE2 4.38Å; V504-F515 HydrophobicContact CB-CZ 3.74Å; V504-F515 HydrophobicContact CG2-CE1 3.73Å; V504-F515 HydrophobicContact CG2-CE2 4.14Å; V504-F515 HydrophobicContact CG2-CZ 3.44Å; V504-F515 VanDerWaalsContact CG2-CZ 3.44Å; V504-Y816 HydrophobicContact CG2-CD2 3.69Å; V504-Y816 HydrophobicContact CG2-CE2 4.1Å; V504-F819 HydrophobicContact CB-CE1 4.45Å; V504-F819 HydrophobicContact CB-CE2 4.29Å; V504-F819 HydrophobicContact CB-CZ 3.8Å; V504-F819 HydrophobicContact CG1-CD1 4.43Å; V504-F819 HydrophobicContact CG1-CE1 3.47Å; V504-F819 VanDerWaalsContact CG1-CE1 3.47Å; V504-F819 HydrophobicContact CG1-CE2 4.13Å; V504-F819 HydrophobicContact CG1-CZ 3.27Å; V504-F819 HydrophobicContact CG2-CE1 4.43Å; V504-F819 HydrophobicContact CG2-CE2 3.72Å; V504-F819 HydrophobicContact CG2-CZ 3.38Å; V504-F819 VanDerWaalsContact O-CE2 3.27Å; V504-F819 WeakPolarHBondContact O-CE2 3.38Å
505A73.9Confident66.8Low10 Ų1069 Ų698%0.08334%0.34CS..G310 helixtrans-64-17.4177.400000114.8I501 P502 E503 L610 F819 F820I501-A505 HydrophobicContact CG2-CB 3.68Å; P502-A505 HydrophobicContact CG-CB 4.2Å; P502-A505 VanDerWaalsContact O-CB 3.28Å; P502-A505 WeakPolarHBondContact O-CB 3.42Å; P502-A505 PolarHBondContact O-N 3.09Å; P502-A505 VanDerWaalsContact O-N 3.08Å; E503-A505 PolarHBondContact O-N 3.34Å; E503-A505 VanDerWaalsContact O-N 3.15Å; A505-L610 WeakPolarHBondContact O-CD2 3.5Å; A505-F819 VanDerWaalsContact CA-CD2 3.48Å; A505-F819 HydrophobicContact CB-CB 3.95Å; A505-F819 HydrophobicContact CB-CD1 4.18Å; A505-F819 HydrophobicContact CB-CD2 4.25Å; A505-F819 HydrophobicContact CB-CG 3.82Å; A505-F820 HydrophobicContact CB-CE2 3.85Å; A505-F820 HydrophobicContact CB-CZ 3.75Å
506Y78.3Confident64.9Low2 Ų265.2 Ų65.21%0.00832%0.324CS..G310 helixtrans-94.6-12.6175.2-58.2-88000112.7V470 I501 E503 V504 L610 F617 V620 R623V470-Y506 WeakPolarHBondContact CG1-OH 3.3Å; I501-Y506 HydrophobicContact CG2-CE2 3.63Å; E503-Y506 WeakPolarHBondContact O-CD2 3.48Å; E503-Y506 PolarHBondContact O-N 2.99Å; E503-Y506 VanDerWaalsContact O-N 3.1Å; V504-Y506 PolarHBondContact O-N 2.93Å; V504-Y506 VanDerWaalsContact O-N 3.11Å; Y506-L610 HydrophobicContact CD1-CD2 3.62Å; Y506-L610 HydrophobicContact CD1-CG 4.42Å; Y506-L610 HydrophobicContact CE1-CD1 4Å; Y506-L610 HydrophobicContact CE1-CD2 3.83Å; Y506-L610 HydrophobicContact CE1-CG 4.25Å; Y506-L610 HydrophobicContact CG-CD2 4.19Å; Y506-F617 HydrophobicContact CD1-CD1 4.36Å; Y506-F617 HydrophobicContact CD1-CD2 4.3Å; Y506-F617 AromaticContact CD1-CE1 4Å; Y506-F617 HydrophobicContact CD1-CE1 4Å; Y506-F617 AromaticContact CD1-CE2 3.95Å; Y506-F617 HydrophobicContact CD1-CE2 3.95Å; Y506-F617 AromaticContact CD1-CZ 3.79Å; Y506-F617 HydrophobicContact CD1-CZ 3.79Å; Y506-F617 HydrophobicContact CE1-CZ 4.33Å; Y506-F617 VanDerWaalsContact O-CB 3.32Å; Y506-F617 WeakPolarHBondContact O-CB 3.22Å; Y506-F617 WeakPolarHBondContact O-CD2 3.39Å; Y506-V620 WeakPolarHBondContact O-CG2 3.37Å; Y506-R623 VanDerWaalsContact CD2-CZ 3.48Å; Y506-R623 VanDerWaalsContact CE1-CD 3.45Å; Y506-R623 VanDerWaalsContact CZ-NE 3.34Å
507H67.6Low63.1Low25 Ų2563.6 Ų63.612%0.11633%0.329CS..  trans-80.8139.2-174-69.273.3000111.6E503 V504 V513 F515 V620E503-H507 PolarHBondContact O-CE1 3.44Å; E503-H507 VanDerWaalsContact O-CE1 3.31Å; E503-H507 PolarHBondContact O-ND1 3.04Å; V504-H507 WeakPolarHBondContact CA-ND1 3.33Å; V504-H507 PolarHBondContact O-N 3.21Å; H507-V513 WeakPolarHBondContact NE2-CG2 3.46Å; H507-F515 AromaticContact CE1-CE1 3.94Å; H507-V620 VanDerWaalsContact CE1-CG1 3.46Å; H507-V620 WeakPolarHBondContact CE1-CG1 3.47Å
508S57.1Low61.5Low40 Ų4067.4 Ų67.428%0.2835%0.348SS..  trans-88.3159.7166.460.40000110.4N510 S511S508-N510 PolarHBondContact O-N 3.36Å; S508-S511 PolarHBondContact O-N 3.35Å; S508-S511 PolarHBondContact O-OG 2.89Å
509Y46.5Very low60.6Low143 Ų14369.4 Ų69.456%0.56136%0.363SS*.THydrogen-bonded Turntrans-53.2-20.8-170.6-163.7-101.7000115.3I756 Y816 P817Y509-I756 HydrophobicContact CD2-CD1 4.38Å; Y509-I756 HydrophobicContact CE2-CD1 3.85Å; Y509-Y816 WeakPolarHBondContact CA-OH 3.48Å; Y509-Y816 HydrophobicContact CD2-CE1 4.12Å; Y509-Y816 HydrophobicContact CE2-CE1 4.21Å; Y509-P817 HydrophobicContact CD2-CB 4.01Å; Y509-P817 HydrophobicContact CD2-CG 4.33Å; Y509-P817 HydrophobicContact CE2-CG 4.46Å
510N45.4Very low60.4Low142 Ų14274.1 Ų74.176%0.75938%0.381SS*.THydrogen-bonded Turntrans-99.423.3-173.6-62.1-1.2000113.9S508S508-N510 PolarHBondContact O-N 3.36Å
511S44Very low60.5Low41 Ų4172 Ų7229%0.28737%0.372SS..  trans-121.9103.6-178.143.30000114.2S508 V513S508-S511 PolarHBondContact O-N 3.35Å; S508-S511 PolarHBondContact O-OG 2.89Å; S511-V513 PolarHBondContact O-N 2.86Å
512F41.8Very low61Low215 Ų21576.1 Ų76.194%0.94339%0.387SS*.  trans-70.6106.6169.9-64.4-85000110.4
513V42.3Very low61.8Low66 Ų6674.8 Ų74.840%0.438%0.377SS..  trans-138.3129.6-179.2178.90000111.2H507 S511 F515H507-V513 WeakPolarHBondContact NE2-CG2 3.46Å; S511-V513 PolarHBondContact O-N 2.86Å; V513-F515 HydrophobicContact CB-CE1 4.47Å; V513-F515 PolarHBondContact O-N 3.04Å
514Q41.5Very low62.7Low188 Ų18873.4 Ų73.488%0.87937%0.371SS*.PPolyproline II helixtrans-71.7117.9164.8-77.4-178.5-21.600109.3P516Q514-P516 WeakPolarHBondContact O-CD 3.48Å
515F46Very low63.8Low87 Ų8776.3 Ų76.338%0.38238%0.379SS..PPolyproline II helixtrans-75.4121.1175.8-53.8-65.5000109.8E503 V504 H507 V513E503-F515 HydrophobicContact CB-CD1 4.37Å; V504-F515 HydrophobicContact CB-CD1 4.04Å; V504-F515 HydrophobicContact CB-CE1 3.52Å; V504-F515 HydrophobicContact CB-CE2 4.38Å; V504-F515 HydrophobicContact CB-CZ 3.74Å; V504-F515 HydrophobicContact CG2-CE1 3.73Å; V504-F515 HydrophobicContact CG2-CE2 4.14Å; V504-F515 HydrophobicContact CG2-CZ 3.44Å; V504-F515 VanDerWaalsContact CG2-CZ 3.44Å; H507-F515 AromaticContact CE1-CE1 3.94Å; V513-F515 HydrophobicContact CB-CE1 4.47Å; V513-F515 PolarHBondContact O-N 3.04Å
516P48.2Very low64.8Low60 Ų6075.8 Ų75.839%0.3938%0.375SS..PPolyproline II helixtrans-63.6150.7165.128.9-32.9000108.8Q514Q514-P516 WeakPolarHBondContact O-CD 3.48Å
517P50.7Low65.4Low95 Ų9580.9 Ų80.962%0.61740%0.397SS*.PPolyproline II helixtrans-55.3160.4174.223.2-33.3000111.1V519P517-V519 VanDerWaalsContact C-N 3.29Å; P517-V519 HydrophobicContact CG-CG2 4.32Å; P517-V519 WeakPolarHBondContact O-CG2 3.47Å; P517-V519 PolarHBondContact O-N 2.93Å
518I54.7Low66.5Low91 Ų9185.1 Ų85.147%0.46741%0.412SS..  trans-68.389.7179.2-57.8177.3000108.8E498E498-I518 HydrophobicContact CB-CG2 4.45Å; E498-I518 HydrophobicContact CG-CG2 4.34Å
519V66Low68.2Low82 Ų8283.6 Ų83.650%0.49740%0.401SS..PPolyproline II helixtrans-91.5136.5176.1179.40000109.4P517 S521P517-V519 VanDerWaalsContact C-N 3.29Å; P517-V519 HydrophobicContact CG-CG2 4.32Å; P517-V519 WeakPolarHBondContact O-CG2 3.47Å; P517-V519 PolarHBondContact O-N 2.93Å; V519-S521 PolarHBondContact O-N 3.27Å
520K81.1Confident70.5Confident114 Ų11477.1 Ų77.150%0.49638%0.377SS..PPolyproline II helixtrans-46.8119.4169.9-70.9171.6177.6166.30110.3E498E498-K520 HydrophobicContact CG-CG 4.22Å; E498-K520 WeakPolarHBondContact OE1-CE 3.14Å; E498-K520 VanDerWaalsContact OE1-CG 3.28Å; E498-K520 WeakPolarHBondContact OE1-CG 3.28Å; E498-K520 IonicContact OE1-NZ 2.7Å
521S85.6Confident72.8Confident0 Ų070.4 Ų70.40%034%0.341CS..EExtended strand (participates in β ladder)trans-97147.7178.2-178.30000110.2Y496 S497 V519 A535 R536 D542Y496-S521 VanDerWaalsContact CA-O 3.28Å; Y496-S521 WeakPolarHBondContact CA-O 3.27Å; S497-S521 PolarHBondContact N-O 3.24Å; S497-S521 PolarHBondContact O-N 3.14Å; V519-S521 PolarHBondContact O-N 3.27Å; S521-A535 PolarHBondContact OG-N 3.16Å; S521-R536 WeakPolarHBondContact OG-CG 3.47Å; S521-R536 PolarHBondContact OG-N 3.37Å; S521-R536 VanDerWaalsContact OG-N 3.08Å; S521-D542 PolarHBondContact OG-OD2 2.85Å
522R90.7Very high75.3Confident87 Ų8768.5 Ų68.533%0.32833%0.328SS..EExtended strand (participates in β ladder)trans-63.1138.7177.9-174170.847.4124.5-1.2110.6L495 Y496 L524 H534 A535 D542L495-R522 WeakPolarHBondContact O-CA 3.44Å; Y496-R522 HydrophobicContact CD1-CB 3.96Å; Y496-R522 HydrophobicContact CE1-CB 3.7Å; Y496-R522 HydrophobicContact CE1-CG 4.32Å; R522-L524 HydrophobicContact CG-CD2 4.32Å; R522-H534 WeakPolarHBondContact O-CA 3.26Å; R522-A535 HydrophobicContact CB-CB 4.36Å; R522-A535 PolarHBondContact O-N 2.99Å; R522-D542 WeakPolarHBondContact CB-OD1 3.41Å; R522-D542 IonicContact CZ-OD1 3.19Å; R522-D542 PolarHBondContact N-OD2 2.79Å; R522-D542 VanDerWaalsContact N-OD2 3.08Å; R522-D542 IonicContact NE-OD1 3.45Å; R522-D542 PolarHBondContact NE-OD1 3.33Å; R522-D542 IonicContact NH2-OD1 3.27Å; R522-D542 PolarHBondContact NH2-OD1 3.37Å
523I91.8Very high77.8Confident21 Ų2158.3 Ų58.311%0.10828%0.283CS..EExtended strand (participates in β ladder)trans-82.7126.3171.9-68.5-62.2000109.7L493 P494 L495 T532 H534L493-I523 HydrophobicContact CD2-CG2 4.21Å; P494-I523 WeakPolarHBondContact O-CB 3.33Å; P494-I523 WeakPolarHBondContact O-CG1 3.4Å; L495-I523 PolarHBondContact O-N 2.92Å; I523-T532 HydrophobicContact CG2-CG2 3.5Å; I523-H534 VanDerWaalsContact CD1-CD2 3.48Å; I523-H534 WeakPolarHBondContact CD1-CD2 3.43Å
524L93.5Very high80.3Confident7 Ų755.1 Ų55.14%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-108130.3174-52.5-176.9000109R522 T532 V533 A535 V540 W564R522-L524 HydrophobicContact CG-CD2 4.32Å; L524-T532 CarbonylContact O-C 3.56Å; L524-T532 VanDerWaalsContact O-CA 3.24Å; L524-T532 WeakPolarHBondContact O-CA 3.42Å; L524-V533 HydrophobicContact CB-CG2 4.19Å; L524-V533 PolarHBondContact N-O 2.68Å; L524-V533 PolarHBondContact O-N 3.3Å; L524-A535 HydrophobicContact CD1-CB 3.77Å; L524-A535 HydrophobicContact CD2-CB 4.26Å; L524-A535 HydrophobicContact CG-CB 3.9Å; L524-V540 HydrophobicContact CD1-CB 3.8Å; L524-V540 HydrophobicContact CD1-CG1 3.95Å; L524-V540 HydrophobicContact CD1-CG2 3.75Å; L524-W564 HydrophobicContact CB-CD2 3.92Å; L524-W564 HydrophobicContact CB-CE3 3.63Å; L524-W564 HydrophobicContact CB-CH2 4.1Å; L524-W564 HydrophobicContact CB-CZ2 4.37Å; L524-W564 HydrophobicContact CB-CZ3 3.71Å; L524-W564 HydrophobicContact CD1-CD2 4.15Å; L524-W564 HydrophobicContact CD1-CH2 4.4Å; L524-W564 HydrophobicContact CD1-CZ2 3.93Å
525R94.3Very high82.6Confident86 Ų8646.2 Ų46.233%0.32522%0.222SC..EExtended strand (participates in β ladder)trans-119.3119.9171.8-179.4169.3172.3174.3-0.1109.7E490 F527 L531 T532E490-R525 IonicContact OE1-CZ 3.24Å; E490-R525 IonicContact OE1-NH1 3.52Å; E490-R525 PolarHBondContact OE1-NH1 2.82Å; E490-R525 IonicContact OE1-NH2 2.89Å; E490-R525 PolarHBondContact OE1-NH2 3.09Å; R525-F527 PolarHBondContact O-N 2.87Å; R525-L531 CarbonylContact C-O 3.56Å; R525-L531 WeakPolarHBondContact CA-O 3.34Å; R525-T532 HydrophobicContact CB-CG2 4.42Å
526C94.5Very high84.7Confident0 Ų045.4 Ų45.40%022%0.217CC..  trans-67.6125.9-178.61740000110.3R528 C530 L531 W564 C566C526-R528 VanDerWaalsContact C-N 3.27Å; C526-R528 PolarHBondContact O-N 3.36Å; C526-C530 WeakPolarHBondContact O-CA 3.16Å; C526-C530 PolarHBondContact O-N 3.33Å; C526-L531 HydrophobicContact CB-CB 4.05Å; C526-L531 PolarHBondContact N-O 3.03Å; C526-W564 WeakPolarHBondContact CA-O 3.21Å; C526-W564 HydrophobicContact CB-CE3 4.03Å; C526-W564 HydrophobicContact CB-CZ3 3.76Å; C526-C566 HydrophobicContact CB-CB 4.09Å; C526-C566 PolarHBondContact SG-N 3.2Å; C526-C566 VanDerWaalsContact SG-N 3.35Å
527F91.1Very high86.7Confident109 Ų10942.6 Ų42.648%0.47820%0.198SC..THydrogen-bonded Turntrans-61.1-34.2-176.7-171.4-99000113.4R525 W564 Y565R525-F527 PolarHBondContact O-N 2.87Å; F527-W564 PolarHBondContact N-O 2.96Å; F527-Y565 HydrophobicContact CB-CE1 4.12Å; F527-Y565 HydrophobicContact CB-CE2 4.48Å; F527-Y565 HydrophobicContact CD1-CE1 4.16Å; F527-Y565 AromaticContact CD1-CZ 3.95Å; F527-Y565 WeakPolarHBondContact CD1-OH 3.34Å
528R89.9Confident88.8Confident114 Ų11438.1 Ų38.143%0.4317%0.169SC..THydrogen-bonded Turntrans-82.7-64.4-178.1-173.6174.7178.3-177.7-0.1113.1E451 R455 C526 Y565 C569E451-R528 IonicContact OE1-NH2 3.56Å; R455-R528 PolarHBondContact NE-O 3.22Å; R455-R528 VanDerWaalsContact NE-O 3.16Å; C526-R528 VanDerWaalsContact C-N 3.27Å; C526-R528 PolarHBondContact O-N 3.36Å; R528-Y565 HydrophobicContact CB-CD1 4.06Å; R528-Y565 HydrophobicContact CB-CE1 4.11Å; R528-C569 HydrophobicContact CB-CB 4.15Å; R528-C569 PolarHBondContact NH1-O 3.01Å
529C92.6Very high90.4Very high7 Ų734.4 Ų34.45%0.04715%0.153CC..THydrogen-bonded Turntrans-92.7-0.5-174.669.90000115N458 L531 C569N458-C529 WeakPolarHBondContact CB-O 3.45Å; N458-C529 PolarHBondContact ND2-O 3.17Å; C529-L531 PolarHBondContact O-N 3.47Å; C529-L531 VanDerWaalsContact O-N 3.1Å; C529-L531 WeakPolarHBondContact SG-CB 3.3Å; C529-C569 VanDerWaalsContact CB-SG 3.5Å; C529-C569 PolarHBondContact SG-SG 3.17Å
530C94.3Very high91.5Very high8 Ų832.4 Ų32.45%0.05414%0.141CC..  trans59.914.2-177.1-54.90000115.9I459 C526 T532I459-C530 HydrophobicContact CD1-CB 4.03Å; I459-C530 HydrophobicContact CG1-CB 3.44Å; I459-C530 VanDerWaalsContact CG1-CB 3.44Å; C526-C530 WeakPolarHBondContact O-CA 3.16Å; C526-C530 PolarHBondContact O-N 3.33Å; C530-T532 PolarHBondContact O-N 2.7Å; C530-T532 PolarHBondContact O-OG1 3.19Å
531L95.2Very high91.1Very high1 Ų134.1 Ų34.11%0.00515%0.151CC..  trans-51.9122169.6173.365000109.9A469 R525 C526 C529 V533 Y538 C566 G585 A586A469-L531 HydrophobicContact CB-CD1 3.61Å; R525-L531 CarbonylContact C-O 3.56Å; R525-L531 WeakPolarHBondContact CA-O 3.34Å; C526-L531 HydrophobicContact CB-CB 4.05Å; C526-L531 PolarHBondContact N-O 3.03Å; C529-L531 PolarHBondContact O-N 3.47Å; C529-L531 VanDerWaalsContact O-N 3.1Å; C529-L531 WeakPolarHBondContact SG-CB 3.3Å; L531-V533 HydrophobicContact CD1-CG1 4.02Å; L531-V533 HydrophobicContact CD2-CG1 4.43Å; L531-V533 HydrophobicContact CG-CG1 4.09Å; L531-Y538 HydrophobicContact CD2-CE2 4.09Å; L531-C566 HydrophobicContact CD2-CB 3.79Å; L531-G585 VanDerWaalsContact CD1-C 3.48Å; L531-A586 HydrophobicContact CD1-CB 4.2Å; L531-A586 HydrophobicContact CD2-CB 4.22Å
532T95.3Very high90Very high1 Ų136.4 Ų36.41%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-113128.9178.2-48.90000110.1Y467 C468 A469 L493 I523 L524 R525 C530Y467-T532 WeakPolarHBondContact O-CG2 3.3Å; C468-T532 WeakPolarHBondContact CA-O 3.49Å; A469-T532 PolarHBondContact N-O 3.35Å; L493-T532 HydrophobicContact CD2-CG2 3.75Å; I523-T532 HydrophobicContact CG2-CG2 3.5Å; L524-T532 CarbonylContact O-C 3.56Å; L524-T532 VanDerWaalsContact O-CA 3.24Å; L524-T532 WeakPolarHBondContact O-CA 3.42Å; R525-T532 HydrophobicContact CB-CG2 4.42Å; C530-T532 PolarHBondContact O-N 2.7Å; C530-T532 PolarHBondContact O-OG1 3.19Å
533V95.6Very high88.2Confident0 Ų040.3 Ų40.30%019%0.185CC..EExtended strand (participates in β ladder)trans-149.4154.2-173.6-710000111A469 V470 L524 L531 Y538 W564 A586A469-V533 HydrophobicContact CB-CG1 4.3Å; V470-V533 HydrophobicContact CG2-CG1 4.12Å; L524-V533 HydrophobicContact CB-CG2 4.19Å; L524-V533 PolarHBondContact N-O 2.68Å; L524-V533 PolarHBondContact O-N 3.3Å; L531-V533 HydrophobicContact CD1-CG1 4.02Å; L531-V533 HydrophobicContact CD2-CG1 4.43Å; L531-V533 HydrophobicContact CG-CG1 4.09Å; V533-Y538 HydrophobicContact CG1-CD2 4.25Å; V533-Y538 HydrophobicContact CG2-CD2 4.15Å; V533-Y538 HydrophobicContact CG2-CG 3.92Å; V533-W564 HydrophobicContact CG2-CH2 3.68Å; V533-W564 HydrophobicContact CG2-CZ3 4.18Å; V533-A586 HydrophobicContact CG1-CB 4.02Å
534H93.3Very high85.7Confident0 Ų048 Ų480%022%0.224CC..EExtended strand (participates in β ladder)trans-65.3138.9159-61.7112.5000109.9P466 C468 S497 E498 P499 R522 I523 R536 C537 Y538P466-H534 PolarHBondContact O-CE1 2.91Å; P466-H534 PolarHBondContact O-NE2 3.02Å; C468-H534 VanDerWaalsContact CB-CE1 3.49Å; C468-H534 WeakPolarHBondContact CB-CE1 2.9Å; C468-H534 WeakPolarHBondContact CB-ND1 3.46Å; C468-H534 PolarHBondContact SG-N 2.82Å; C468-H534 PolarHBondContact SG-ND1 2.86Å; S497-H534 PolarHBondContact O-CD2 3.29Å; S497-H534 PolarHBondContact O-NE2 3.35Å; S497-H534 PolarHBondContact OG-NE2 3.37Å; E498-H534 PolarHBondContact O-CE1 3Å; E498-H534 PolarHBondContact O-NE2 3.06Å; P499-H534 HydrophobicContact CG-CB 4.32Å; R522-H534 WeakPolarHBondContact O-CA 3.26Å; I523-H534 VanDerWaalsContact CD1-CD2 3.48Å; I523-H534 WeakPolarHBondContact CD1-CD2 3.43Å; H534-R536 VanDerWaalsContact C-N 3.28Å; H534-R536 PolarHBondContact O-N 3.17Å; H534-C537 HydrophobicContact CB-CB 3.97Å; H534-C537 PolarHBondContact O-N 2.68Å; H534-Y538 PolarHBondContact O-N 2.88Å; H534-Y538 VanDerWaalsContact O-N 3.1Å
535A91.3Very high82.7Confident0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-53.1-47.6174.400000111.2S521 R522 L524 Y538 G539 V540 D542S521-A535 PolarHBondContact OG-N 3.16Å; R522-A535 HydrophobicContact CB-CB 4.36Å; R522-A535 PolarHBondContact O-N 2.99Å; L524-A535 HydrophobicContact CD1-CB 3.77Å; L524-A535 HydrophobicContact CD2-CB 4.26Å; L524-A535 HydrophobicContact CG-CB 3.9Å; A535-Y538 CarbonylContact O-C 3.51Å; A535-Y538 PolarHBondContact O-N 2.99Å; A535-G539 PolarHBondContact O-N 2.94Å; A535-V540 CarbonylContact C-O 3.39Å; A535-V540 HydrophobicContact CB-CB 4.13Å; A535-V540 PolarHBondContact O-N 3.25Å; A535-D542 VanDerWaalsContact CB-OD1 3.29Å; A535-D542 WeakPolarHBondContact CB-OD1 3.42Å
536R88.5Confident79.7Confident70 Ų7056.2 Ų56.226%0.26428%0.279SS..Hα-helixtrans-60.4-49.7176.8-67.3-17573.5121.513.2112.8E503 S521 H534 Y538 G539 R623E503-R536 VanDerWaalsContact CD-NH2 3.33Å; E503-R536 IonicContact OE1-CZ 2.66Å; E503-R536 VanDerWaalsContact OE1-CZ 3.27Å; E503-R536 IonicContact OE1-NE 2.6Å; E503-R536 PolarHBondContact OE1-NE 3.06Å; E503-R536 IonicContact OE1-NH2 2.66Å; E503-R536 PolarHBondContact OE1-NH2 2.95Å; S521-R536 WeakPolarHBondContact OG-CG 3.47Å; S521-R536 PolarHBondContact OG-N 3.37Å; S521-R536 VanDerWaalsContact OG-N 3.08Å; H534-R536 VanDerWaalsContact C-N 3.28Å; H534-R536 PolarHBondContact O-N 3.17Å; R536-Y538 PolarHBondContact O-N 3.48Å; R536-Y538 VanDerWaalsContact O-N 3.14Å; R536-G539 PolarHBondContact O-N 2.68Å; R536-R623 PolarHBondContact O-NE 2.83Å; R536-R623 PolarHBondContact O-NH2 3.4Å; R536-R623 VanDerWaalsContact O-NH2 3.08Å
537C91.4Very high76.6Confident1 Ų165 Ų651%0.00732%0.318CS..Hα-helixtrans-60.4-25.9178.6-62.50000113.7V470 C471 H534 L606V470-C537 HydrophobicContact CB-CB 4.04Å; V470-C537 HydrophobicContact CG1-CB 4.39Å; V470-C537 HydrophobicContact CG2-CB 4.22Å; C471-C537 PolarHBondContact SG-SG 3.02Å; H534-C537 HydrophobicContact CB-CB 3.97Å; H534-C537 PolarHBondContact O-N 2.68Å; C537-L606 WeakPolarHBondContact O-CD1 3.21Å
538Y94.1Very high73.7Confident1 Ų170.7 Ų70.70%0.00434%0.338CS..Hα-helixtrans-95.9-5.9177.8-159.2-103.5000114.3L531 V533 H534 A535 R536 V540 W564 C566 D567 A586 I587 K588 L606L531-Y538 HydrophobicContact CD2-CE2 4.09Å; V533-Y538 HydrophobicContact CG1-CD2 4.25Å; V533-Y538 HydrophobicContact CG2-CD2 4.15Å; V533-Y538 HydrophobicContact CG2-CG 3.92Å; H534-Y538 PolarHBondContact O-N 2.88Å; H534-Y538 VanDerWaalsContact O-N 3.1Å; A535-Y538 CarbonylContact O-C 3.51Å; A535-Y538 PolarHBondContact O-N 2.99Å; R536-Y538 PolarHBondContact O-N 3.48Å; R536-Y538 VanDerWaalsContact O-N 3.14Å; Y538-V540 HydrophobicContact CD1-CG2 4.05Å; Y538-W564 HydrophobicContact CD1-CH2 4.06Å; Y538-W564 AromaticContact CD1-CZ2 3.6Å; Y538-W564 HydrophobicContact CD1-CZ2 3.6Å; Y538-W564 HydrophobicContact CE1-CH2 4.12Å; Y538-W564 AromaticContact CE1-CZ2 3.69Å; Y538-W564 HydrophobicContact CE1-CZ2 3.69Å; Y538-W564 HydrophobicContact CG-CH2 4.5Å; Y538-W564 HydrophobicContact CG-CZ2 4.41Å; Y538-C566 HydrophobicContact CE1-CB 4.29Å; Y538-D567 WeakPolarHBondContact CE1-OD2 3.24Å; Y538-D567 WeakPolarHBondContact OH-CB 3.44Å; Y538-D567 PolarHBondContact OH-N 2.78Å; Y538-D567 PolarHBondContact OH-OD2 3.18Å; Y538-A586 HydrophobicContact CD2-CB 3.99Å; Y538-A586 HydrophobicContact CE2-CB 3.96Å; Y538-I587 PolarHBondContact OH-O 3.01Å; Y538-K588 HydrophobicContact CE1-CG 4.49Å; Y538-K588 HydrophobicContact CE2-CD 4.48Å; Y538-K588 HydrophobicContact CE2-CG 3.95Å; Y538-K588 PolarHBondContact O-NZ 2.91Å; Y538-L606 HydrophobicContact CD2-CD1 3.76Å; Y538-L606 HydrophobicContact CE2-CD1 4.26Å
539G89.4Confident70.9Confident13 Ų1372.5 Ų72.513%0.13435%0.351CS..THydrogen-bonded Turntrans81.333179.200000114.4A535 R536 P621 R623A535-G539 PolarHBondContact O-N 2.94Å; R536-G539 PolarHBondContact O-N 2.68Å; G539-P621 CarbonylContact C-O 3.57Å; G539-P621 WeakPolarHBondContact CA-O 3.16Å; G539-R623 VanDerWaalsContact CA-CG 3.43Å; G539-R623 VanDerWaalsContact N-CG 3.28Å
540V87.7Confident67.9Low40 Ų4078.1 Ų78.124%0.24239%0.39CS..  trans-105.4131174.5-179.10000108.5L524 A535 Y538L524-V540 HydrophobicContact CD1-CB 3.8Å; L524-V540 HydrophobicContact CD1-CG1 3.95Å; L524-V540 HydrophobicContact CD1-CG2 3.75Å; A535-V540 CarbonylContact C-O 3.39Å; A535-V540 HydrophobicContact CB-CB 4.13Å; A535-V540 PolarHBondContact O-N 3.25Å; Y538-V540 HydrophobicContact CD1-CG2 4.05Å
541Q72.7Confident64.9Low151 Ų15183.1 Ų83.171%0.70643%0.425SS*.  trans-70.1132.7179.3-67.2179.9-20.500110.8E543Q541-E543 PolarHBondContact O-N 3.24Å
542D62.5Low61.8Low47 Ų4788.1 Ų88.125%0.25146%0.461SS..  trans-91.791.7170.9-84.7-30.2000108.8S521 R522 A535 I544S521-D542 PolarHBondContact OG-OD2 2.85Å; R522-D542 WeakPolarHBondContact CB-OD1 3.41Å; R522-D542 IonicContact CZ-OD1 3.19Å; R522-D542 PolarHBondContact N-OD2 2.79Å; R522-D542 VanDerWaalsContact N-OD2 3.08Å; R522-D542 IonicContact NE-OD1 3.45Å; R522-D542 PolarHBondContact NE-OD1 3.33Å; R522-D542 IonicContact NH2-OD1 3.27Å; R522-D542 PolarHBondContact NH2-OD1 3.37Å; A535-D542 VanDerWaalsContact CB-OD1 3.29Å; A535-D542 WeakPolarHBondContact CB-OD1 3.42Å; D542-I544 PolarHBondContact O-N 3.26Å
543E52.9Low58.7Low170 Ų17096.6 Ų96.679%0.79450%0.5SS*.  trans-68.8113.2173.4-71.2-174176.500110.6Q541 G545Q541-E543 PolarHBondContact O-N 3.24Å; E543-G545 VanDerWaalsContact C-N 3.32Å; E543-G545 PolarHBondContact O-N 3.37Å
544I39.8Very low55.6Low181 Ų181106 Ų10693%0.92854%0.544SS*.  trans-72.584.7173-56.6170.1000108D542D542-I544 PolarHBondContact O-N 3.26Å
545G30Very low52.6Low59 Ų59115.2 Ų115.261%0.60858%0.584SS**  trans-178.240.9-168.500000120.3E543E543-G545 VanDerWaalsContact C-N 3.32Å; E543-G545 PolarHBondContact O-N 3.37Å
546F31.8Very low49.6Very low207 Ų207126 Ų12691%0.90863%0.626SS**  trans-126.9104154.6-101.9-87.6000110.3Y548F546-Y548 PolarHBondContact O-N 2.97Å
547K29.5Very low46.7Very low186 Ų186130.3 Ų130.381%0.80966%0.655SS**  trans-64.7113.1166.4-71.5-176.4176.8-176.10107.8E549K547-E549 VanDerWaalsContact C-N 3.33Å; K547-E549 PolarHBondContact O-N 3.24Å; K547-E549 VanDerWaalsContact O-N 3.15Å
548Y30.2Very low43.9Very low228 Ų228137.5 Ų137.589%0.89469%0.692SS**  trans-80.889165.2-132.6-86.9000107.5F546 S550F546-Y548 PolarHBondContact O-N 2.97Å; Y548-S550 PolarHBondContact O-N 3.16Å
549E31Very low41.2Very low152 Ų152141.7 Ų141.771%0.7172%0.715SS**  trans-66.2130.4168.1-76.7-178.5176.600108.9K547 S551K547-E549 VanDerWaalsContact C-N 3.33Å; K547-E549 PolarHBondContact O-N 3.24Å; K547-E549 VanDerWaalsContact O-N 3.15Å; E549-S551 PolarHBondContact O-N 2.7Å
550S28.8Very low39Very low125 Ų125147.3 Ų147.387%0.87474%0.741SS**  trans-7396.2-178.651.10000110.7Y548Y548-S550 PolarHBondContact O-N 3.16Å
551S32.5Very low37.1Very low112 Ų112154.7 Ų154.778%0.78377%0.77SS**  trans-126.5126.215852.80000110.3E549E549-S551 PolarHBondContact O-N 2.7Å
552S29.8Very low36.4Very low107 Ų107154 Ų15475%0.74877%0.771SS**  trans-65.2161.3171.945.10000111.4
553E30.9Very low37Very low178 Ų178153.6 Ų153.683%0.83277%0.772SS**  trans7378.3167.6-47.4-167.6149.300117.7
554Q30.7Very low38.8Very low198 Ų198148.3 Ų148.393%0.92575%0.745SS**  trans-150.6118.1136.9-114.5154.156.900112.9
555K29.3Very low41.3Very low193 Ų193143.7 Ų143.784%0.83972%0.716SS**  trans-75.4136.6-179-70.2167.8175.6169.10110.8N557K555-N557 PolarHBondContact O-N 3.38Å
556Y27.7Very low44.4Very low226 Ų226141 Ų14189%0.88669%0.688SS**SBendtrans26.780.4149.3-71.3-93.1000117.4
557N28Very low47.3Very low161 Ų161133 Ų13386%0.86166%0.655SS**  trans-171.353.6156-101.6-29.8000113.6K555K555-N557 PolarHBondContact O-N 3.38Å
558L33.1Very low50.3Low152 Ų152124.6 Ų124.680%0.79662%0.619SS**  trans-117.892.4-177.7-89.9158.5000114.3
559N37.1Very low53.3Low89 Ų89114.2 Ų114.248%0.47658%0.58SS.*  trans5895.1143.3-67.4-27.4000120.8K561 N562N559-K561 HydrophobicContact CB-CB 4.48Å; N559-K561 PolarHBondContact O-N 2.79Å; N559-K561 VanDerWaalsContact O-N 3.11Å; N559-N562 PolarHBondContact O-N 2.82Å
560L43.1Very low56.1Low132 Ų132112.7 Ų112.769%0.69158%0.575SS**G310 helixtrans-49.1-31.1153.5-112.979.4000113N562 S563L560-N562 PolarHBondContact O-N 2.96Å; L560-S563 PolarHBondContact O-N 2.85Å; L560-S563 PolarHBondContact O-OG 2.95Å
561K47.8Very low58.8Low195 Ų195107.8 Ų107.885%0.84854%0.542SS*.G310 helixtrans-60.3-19.7179.6-86.7-173.7173.3-179.80115.3N559N559-K561 HydrophobicContact CB-CB 4.48Å; N559-K561 PolarHBondContact O-N 2.79Å; N559-K561 VanDerWaalsContact O-N 3.11Å
562N58Low61Low136 Ų136108.2 Ų108.273%0.72755%0.545SS*.G310 helixtrans-104.49.3-176.6-70.115.1000113N559 L560N559-N562 PolarHBondContact O-N 2.82Å; L560-N562 PolarHBondContact O-N 2.96Å
563S75.3Confident63.2Low38 Ų38106.6 Ų106.627%0.26653%0.531SS..  trans-75.3131.6179.3-70.30000111.7L560 Y565L560-S563 PolarHBondContact O-N 2.85Å; L560-S563 PolarHBondContact O-OG 2.95Å; S563-Y565 VanDerWaalsContact O-CD2 3.24Å; S563-Y565 WeakPolarHBondContact O-CD2 3.48Å; S563-Y565 WeakPolarHBondContact O-CE2 3.43Å
564W90.9Very high65.7Low60 Ų60101.3 Ų101.323%0.22751%0.506CS..  trans-77.4137.7175.9-179.675000111.9L524 C526 F527 V533 Y538 C566L524-W564 HydrophobicContact CB-CD2 3.92Å; L524-W564 HydrophobicContact CB-CE3 3.63Å; L524-W564 HydrophobicContact CB-CH2 4.1Å; L524-W564 HydrophobicContact CB-CZ2 4.37Å; L524-W564 HydrophobicContact CB-CZ3 3.71Å; L524-W564 HydrophobicContact CD1-CD2 4.15Å; L524-W564 HydrophobicContact CD1-CH2 4.4Å; L524-W564 HydrophobicContact CD1-CZ2 3.93Å; C526-W564 WeakPolarHBondContact CA-O 3.21Å; C526-W564 HydrophobicContact CB-CE3 4.03Å; C526-W564 HydrophobicContact CB-CZ3 3.76Å; F527-W564 PolarHBondContact N-O 2.96Å; V533-W564 HydrophobicContact CG2-CH2 3.68Å; V533-W564 HydrophobicContact CG2-CZ3 4.18Å; Y538-W564 HydrophobicContact CD1-CH2 4.06Å; Y538-W564 AromaticContact CD1-CZ2 3.6Å; Y538-W564 HydrophobicContact CD1-CZ2 3.6Å; Y538-W564 HydrophobicContact CE1-CH2 4.12Å; Y538-W564 AromaticContact CE1-CZ2 3.69Å; Y538-W564 HydrophobicContact CE1-CZ2 3.69Å; Y538-W564 HydrophobicContact CG-CH2 4.5Å; Y538-W564 HydrophobicContact CG-CZ2 4.41Å; W564-C566 HydrophobicContact CH2-CB 3.73Å; W564-C566 HydrophobicContact CZ2-CB 4.12Å; W564-C566 HydrophobicContact CZ3-CB 4.24Å
565Y92.5Very high68.3Low83 Ų8392.8 Ų92.833%0.32547%0.468SS..  trans-121.9137.9173.7-66-98.9000108.9F527 R528 S563F527-Y565 HydrophobicContact CB-CE1 4.12Å; F527-Y565 HydrophobicContact CB-CE2 4.48Å; F527-Y565 HydrophobicContact CD1-CE1 4.16Å; F527-Y565 AromaticContact CD1-CZ 3.95Å; F527-Y565 WeakPolarHBondContact CD1-OH 3.34Å; R528-Y565 HydrophobicContact CB-CD1 4.06Å; R528-Y565 HydrophobicContact CB-CE1 4.11Å; S563-Y565 VanDerWaalsContact O-CD2 3.24Å; S563-Y565 WeakPolarHBondContact O-CD2 3.48Å; S563-Y565 WeakPolarHBondContact O-CE2 3.43Å
566C94.4Very high71Confident2 Ų286 Ų861%0.01444%0.442CS..  trans-77158.4173.670.40000111.6C526 L531 Y538 W564 A568 C569 M570C526-C566 HydrophobicContact CB-CB 4.09Å; C526-C566 PolarHBondContact SG-N 3.2Å; C526-C566 VanDerWaalsContact SG-N 3.35Å; L531-C566 HydrophobicContact CD2-CB 3.79Å; Y538-C566 HydrophobicContact CE1-CB 4.29Å; W564-C566 HydrophobicContact CH2-CB 3.73Å; W564-C566 HydrophobicContact CZ2-CB 4.12Å; W564-C566 HydrophobicContact CZ3-CB 4.24Å; C566-A568 VanDerWaalsContact C-N 3.27Å; C566-A568 PolarHBondContact O-N 2.85Å; C566-C569 WeakPolarHBondContact O-CA 3.18Å; C566-C569 PolarHBondContact O-N 2.79Å; C566-M570 PolarHBondContact O-N 3.46Å; C566-M570 VanDerWaalsContact O-N 3.12Å
567D93.4Very high73.9Confident41 Ų4175.2 Ų75.222%0.21940%0.4CS..Hα-helixtrans-57.1-41-172.7-57-36.9000112.1Y538 C569 M570 A571 K588 W603Y538-D567 WeakPolarHBondContact CE1-OD2 3.24Å; Y538-D567 WeakPolarHBondContact OH-CB 3.44Å; Y538-D567 PolarHBondContact OH-N 2.78Å; Y538-D567 PolarHBondContact OH-OD2 3.18Å; D567-C569 VanDerWaalsContact C-N 3.27Å; D567-C569 PolarHBondContact O-N 3.05Å; D567-M570 PolarHBondContact O-N 2.72Å; D567-M570 WeakPolarHBondContact OD1-CE 3.48Å; D567-A571 PolarHBondContact O-N 2.89Å; D567-K588 VanDerWaalsContact OD2-CE 3.32Å; D567-K588 WeakPolarHBondContact OD2-CE 3.1Å; D567-K588 WeakPolarHBondContact OD2-CG 3.42Å; D567-K588 IonicContact OD2-NZ 3.08Å; D567-K588 PolarHBondContact OD2-NZ 2.87Å; D567-W603 HydrophobicContact CB-CH2 4.18Å; D567-W603 HydrophobicContact CB-CZ3 3.85Å
568A92.5Very high76.6Confident8 Ų867.6 Ų67.67%0.06636%0.359CS..Hα-helixtrans-66.6-22.2176.900000114.4C566 P575 I587 W603C566-A568 VanDerWaalsContact C-N 3.27Å; C566-A568 PolarHBondContact O-N 2.85Å; A568-P575 HydrophobicContact CB-CG 3.76Å; A568-P575 VanDerWaalsContact O-CD 3.32Å; A568-P575 WeakPolarHBondContact O-CD 3.45Å; A568-I587 HydrophobicContact CB-CB 4.18Å; A568-W603 HydrophobicContact CB-CZ3 4.43Å
569C92Very high79.3Confident10 Ų1060.7 Ų60.77%0.06832%0.323CS..Hα-helixtrans-90.6-19.7174.1-79.30000113.7R528 C529 C566 D567R528-C569 HydrophobicContact CB-CB 4.15Å; R528-C569 PolarHBondContact NH1-O 3.01Å; C529-C569 VanDerWaalsContact CB-SG 3.5Å; C529-C569 PolarHBondContact SG-SG 3.17Å; C566-C569 WeakPolarHBondContact O-CA 3.18Å; C566-C569 PolarHBondContact O-N 2.79Å; D567-C569 VanDerWaalsContact C-N 3.27Å; D567-C569 PolarHBondContact O-N 3.05Å
570M90.7Very high81.8Confident121 Ų12156.4 Ų56.460%0.59630%0.3SS*.Hα-helixtrans-82.1-29.5171.2-63.6-170.9-70.200111.6C566 D567C566-M570 PolarHBondContact O-N 3.46Å; C566-M570 VanDerWaalsContact O-N 3.12Å; D567-M570 PolarHBondContact O-N 2.72Å; D567-M570 WeakPolarHBondContact OD1-CE 3.48Å
571A86.2Confident83.9Confident22 Ų2250.1 Ų50.118%0.18227%0.267CS..SBendtrans-66142.917100000112.5D567 P575 W603D567-A571 PolarHBondContact O-N 2.89Å; A571-P575 HydrophobicContact CB-CG 4.32Å; A571-W603 HydrophobicContact CB-CH2 3.66Å; A571-W603 HydrophobicContact CB-CZ2 3.6Å
572S77.5Confident85.8Confident121 Ų12141.2 Ų41.285%0.84623%0.228SC*.SBendtrans-133.7123.3175.1-170.20000110.4
573P76.9Confident87.3Confident72 Ų7236.3 Ų36.347%0.46820%0.2SC..SBendcis-68.2171.4-8.932.6-36.3000111.7
574K82.1Confident88Confident67 Ų6734.6 Ų34.629%0.29119%0.188SC..PPolyproline II helixtrans-62.1128.6178.7-169.7177.4-172.6-177.80111E454E454-K574 IonicContact OE1-NZ 3.22Å; E454-K574 PolarHBondContact OE1-NZ 3.22Å; E454-K574 IonicContact OE2-NZ 2.75Å; E454-K574 PolarHBondContact OE2-NZ 3.25Å
575P85.9Confident88.1Confident20 Ų2032.6 Ų32.613%0.1319%0.186CC..PPolyproline II helixtrans-79.5166.1-175.331.6-35.1000112.9A568 A571 W603A568-P575 HydrophobicContact CB-CG 3.76Å; A568-P575 VanDerWaalsContact O-CD 3.32Å; A568-P575 WeakPolarHBondContact O-CD 3.45Å; A571-P575 HydrophobicContact CB-CG 4.32Å; P575-W603 HydrophobicContact CB-CB 3.84Å; P575-W603 VanDerWaalsContact CB-CD1 3.49Å; P575-W603 HydrophobicContact CB-CD2 3.43Å; P575-W603 VanDerWaalsContact CB-CD2 3.43Å; P575-W603 HydrophobicContact CB-CE3 4Å; P575-W603 HydrophobicContact CB-CG 3.32Å; P575-W603 HydrophobicContact CG-CB 4.48Å; P575-W603 HydrophobicContact CG-CD2 3.42Å; P575-W603 VanDerWaalsContact CG-CD2 3.42Å; P575-W603 HydrophobicContact CG-CE3 3.46Å; P575-W603 VanDerWaalsContact CG-CE3 3.46Å; P575-W603 HydrophobicContact CG-CG 3.88Å; P575-W603 HydrophobicContact CG-CH2 4.26Å; P575-W603 HydrophobicContact CG-CZ2 4.21Å; P575-W603 HydrophobicContact CG-CZ3 3.9Å
576T85.4Confident88.2Confident49 Ų4928.9 Ų28.930%0.30117%0.172SC..  trans-125.3155.3172.667.90000110.2R782T576-R782 PolarHBondContact OG1-NH1 3.16Å; T576-R782 PolarHBondContact OG1-NH2 3.19Å; T576-R782 VanDerWaalsContact OG1-NH2 3.14Å
577C89.7Confident88.2Confident0 Ų029.1 Ų29.10%017%0.174CC..  trans-72.4127.9-179.4-179.90000112F579 C580 W603 H605 R782C577-F579 PolarHBondContact O-N 3.38Å; C577-F579 PolarHBondContact SG-N 2.86Å; C577-C580 VanDerWaalsContact SG-SG 3.69Å; C577-W603 CarbonylContact C-O 3.53Å; C577-W603 WeakPolarHBondContact CA-O 3.12Å; C577-H605 VanDerWaalsContact CB-CE1 3.48Å; C577-H605 WeakPolarHBondContact CB-CE1 3.31Å; C577-H605 WeakPolarHBondContact CB-ND1 3.39Å; C577-H605 PolarHBondContact SG-N 3.12Å; C577-H605 PolarHBondContact SG-ND1 3.26Å; C577-R782 WeakPolarHBondContact O-CD 3.23Å; C577-R782 PolarHBondContact O-NH1 3.44Å
578V85Confident88.2Confident2 Ų228.3 Ų28.31%0.01217%0.168CC..THydrogen-bonded Turntrans-71.1-17.1-180-610000113.3L590 Y602 W603 I627 R782 L785V578-L590 HydrophobicContact CG2-CD1 4.11Å; V578-Y602 HydrophobicContact CG1-CD1 3.82Å; V578-Y602 HydrophobicContact CG1-CG 4.45Å; V578-W603 WeakPolarHBondContact CG1-O 3.4Å; V578-W603 WeakPolarHBondContact CG2-O 3.45Å; V578-W603 PolarHBondContact N-O 3.44Å; V578-I627 HydrophobicContact CG2-CD1 4.24Å; V578-R782 WeakPolarHBondContact O-CB 3.46Å; V578-R782 WeakPolarHBondContact O-CG 3.48Å; V578-L785 HydrophobicContact CB-CD1 3.87Å; V578-L785 HydrophobicContact CG2-CD1 3.85Å
579F88.2Confident88.1Confident6 Ų629.2 Ų29.23%0.02618%0.176CC..THydrogen-bonded Turntrans-99.7-1.9-178.5-62.3-59.6000114.8C577 A604 C608 T612 C615 I627 L785 H800C577-F579 PolarHBondContact O-N 3.38Å; C577-F579 PolarHBondContact SG-N 2.86Å; F579-A604 HydrophobicContact CD2-CB 3.74Å; F579-A604 HydrophobicContact CE2-CB 3.82Å; F579-C608 HydrophobicContact CB-CB 3.84Å; F579-C608 HydrophobicContact CD2-CB 3.7Å; F579-C608 HydrophobicContact CG-CB 4.19Å; F579-T612 HydrophobicContact CD1-CG2 3.59Å; F579-T612 HydrophobicContact CE1-CG2 3.43Å; F579-T612 VanDerWaalsContact CE1-CG2 3.43Å; F579-T612 HydrophobicContact CG-CG2 4.27Å; F579-T612 HydrophobicContact CZ-CG2 4Å; F579-C615 HydrophobicContact CE2-CB 4.34Å; F579-C615 HydrophobicContact CZ-CB 3.93Å; F579-I627 HydrophobicContact CE1-CD1 3.8Å; F579-I627 HydrophobicContact CE1-CG1 4.4Å; F579-I627 HydrophobicContact CE2-CD1 4.22Å; F579-I627 HydrophobicContact CZ-CD1 3.42Å; F579-I627 VanDerWaalsContact CZ-CD1 3.42Å; F579-I627 HydrophobicContact CZ-CG1 3.72Å; F579-L785 HydrophobicContact CD1-CB 4.08Å; F579-L785 HydrophobicContact CD1-CD1 4.07Å; F579-L785 HydrophobicContact CE1-CB 4.24Å; F579-L785 HydrophobicContact CE1-CD1 4.1Å; F579-H800 PolarHBondContact O-CD2 2.93Å
580C89.7Confident87.9Confident0 Ų029.2 Ų29.20%018%0.175CC..  trans-161.1175.9-178.675.20000113.6C577 H605 R782 H800 T802C577-C580 VanDerWaalsContact SG-SG 3.69Å; C580-H605 VanDerWaalsContact SG-CE1 3.52Å; C580-H605 PolarHBondContact SG-ND1 3.22Å; C580-H605 VanDerWaalsContact SG-ND1 3.37Å; C580-R782 WeakPolarHBondContact O-CD 3.18Å; C580-R782 PolarHBondContact O-NH1 3.39Å; C580-H800 HydrophobicContact CB-CB 4.15Å; C580-T802 VanDerWaalsContact CB-OG1 3.25Å; C580-T802 WeakPolarHBondContact CB-OG1 3.43Å; C580-T802 PolarHBondContact SG-OG1 2.95Å
581Y87.1Confident87.6Confident0 Ų025 Ų250%016%0.16CC..SBendtrans-106.626.9-178.7-50.3-57.5000113.3Y420 F425 W444 C445 L779 P780 R782 H800Y420-Y581 HydrophobicContact CE1-CD1 4.4Å; Y420-Y581 AromaticContact CE1-CE1 3.44Å; Y420-Y581 HydrophobicContact CE1-CE1 3.44Å; Y420-Y581 VanDerWaalsContact CE1-CE1 3.44Å; Y420-Y581 AromaticContact CE1-CZ 3.61Å; Y420-Y581 WeakPolarHBondContact CE1-OH 3.39Å; Y420-Y581 AromaticContact CZ-CE1 3.6Å; Y420-Y581 WeakPolarHBondContact OH-CD1 3.1Å; Y420-Y581 WeakPolarHBondContact OH-CE1 3.41Å; F425-Y581 HydrophobicContact CE1-CD1 4.47Å; F425-Y581 HydrophobicContact CE1-CG 4.25Å; F425-Y581 HydrophobicContact CZ-CD1 4.09Å; F425-Y581 HydrophobicContact CZ-CG 4.26Å; W444-Y581 AromaticContact CH2-CD2 3.86Å; W444-Y581 HydrophobicContact CH2-CD2 3.86Å; W444-Y581 HydrophobicContact CH2-CG 4.3Å; W444-Y581 HydrophobicContact CZ2-CD2 4.22Å; C445-Y581 WeakPolarHBondContact CB-O 3.3Å; C445-Y581 PolarHBondContact N-O 3.24Å; C445-Y581 VanDerWaalsContact SG-C 3.54Å; C445-Y581 PolarHBondContact SG-O 2.99Å; C445-Y581 VanDerWaalsContact SG-O 3.38Å; Y581-L779 HydrophobicContact CD2-CB 4.47Å; Y581-L779 HydrophobicContact CD2-CD1 3.63Å; Y581-L779 HydrophobicContact CE2-CB 3.68Å; Y581-L779 HydrophobicContact CE2-CD1 3.5Å; Y581-L779 HydrophobicContact CE2-CG 4.26Å; Y581-L779 HydrophobicContact CG-CD1 4.41Å; Y581-P780 PolarHBondContact OH-O 2.81Å; Y581-R782 HydrophobicContact CD1-CB 4.48Å; Y581-R782 HydrophobicContact CD1-CG 4.37Å; Y581-R782 HydrophobicContact CE1-CB 3.55Å; Y581-R782 HydrophobicContact CE1-CG 3.55Å; Y581-R782 VanDerWaalsContact OH-CA 3.22Å; Y581-R782 WeakPolarHBondContact OH-CA 3.35Å; Y581-R782 WeakPolarHBondContact OH-CB 3.43Å; Y581-R782 PolarHBondContact OH-N 3.43Å; Y581-H800 AromaticContact CD2-CE1 3.94Å; Y581-H800 AromaticContact CE2-CE1 3.28Å; Y581-H800 WeakPolarHBondContact CE2-CE1 3.31Å; Y581-H800 AromaticContact CE2-ND1 3.94Å; Y581-H800 AromaticContact CE2-NE2 3.57Å
582M88.9Confident87Confident7 Ų724.8 Ų24.83%0.03416%0.155CC..BIsolated β-bridgetrans-106.1139.8179.5-72-60.1-64.600112.9I434 L443 W444 H605 T802 M806I434-M582 HydrophobicContact CD1-CE 3.49Å; I434-M582 VanDerWaalsContact CD1-CE 3.49Å; I434-M582 HydrophobicContact CD1-SD 3.29Å; I434-M582 WeakPolarHBondContact CD1-SD 3.29Å; I434-M582 HydrophobicContact CG1-CE 4.41Å; L443-M582 HydrophobicContact CB-CE 3.65Å; L443-M582 HydrophobicContact CD1-CE 4.39Å; L443-M582 CarbonylContact O-C 3.46Å; L443-M582 WeakPolarHBondContact O-CA 3.42Å; W444-M582 HydrophobicContact CE3-SD 3.87Å; W444-M582 HydrophobicContact CZ3-SD 4.46Å; M582-H605 PolarHBondContact O-CE1 3.07Å; M582-H605 VanDerWaalsContact O-CE1 3.29Å; M582-T802 HydrophobicContact CB-CG2 4.41Å; M582-T802 VanDerWaalsContact CG-OG1 3.31Å; M582-T802 WeakPolarHBondContact CG-OG1 3.36Å; M582-M806 HydrophobicContact CE-CG 4.2Å
583R90Very high86.1Confident34 Ų3426.1 Ų26.113%0.12815%0.152CC..  trans-96.9163.3167.8-54.9-174-179.6104.20.2110.5P442 L443 W444 C445 Y447 E454P442-R583 PolarHBondContact O-NH1 2.9Å; L443-R583 PolarHBondContact O-N 3.3Å; W444-R583 PolarHBondContact O-NH1 3.07Å; C445-R583 PolarHBondContact O-NH2 3.49Å; Y447-R583 VanDerWaalsContact O-CZ 3.31Å; Y447-R583 PolarHBondContact O-NH1 3.07Å; Y447-R583 PolarHBondContact O-NH2 3.43Å; E454-R583 HydrophobicContact CG-CB 4.4Å
584G89.4Confident85.6Confident2 Ų226.5 Ų26.52%0.02115%0.149CC..SBendtrans80.9-176.7-174.600000113.1E454 H605E454-G584 WeakPolarHBondContact OE1-CA 3.31Å; G584-H605 PolarHBondContact O-CD2 3.19Å; G584-H605 PolarHBondContact O-NE2 3.27Å
585G92.3Very high84.3Confident17 Ų1723.4 Ų23.418%0.17514%0.136CC..SBendtrans74.6-176.7-179.800000114.8N458 L531 I587N458-G585 PolarHBondContact OD1-N 3.48Å; L531-G585 VanDerWaalsContact CD1-C 3.48Å; G585-I587 PolarHBondContact O-N 3.45Å
586A95.5Very high82.7Confident5 Ų527.4 Ų27.44%0.04116%0.16CC..  trans-86.998.9-173.200000112.1V470 L531 V533 Y538 H605 L606V470-A586 HydrophobicContact CG2-CB 3.56Å; L531-A586 HydrophobicContact CD1-CB 4.2Å; L531-A586 HydrophobicContact CD2-CB 4.22Å; V533-A586 HydrophobicContact CG1-CB 4.02Å; Y538-A586 HydrophobicContact CD2-CB 3.99Å; Y538-A586 HydrophobicContact CE2-CB 3.96Å; A586-H605 CarbonylContact O-C 3.37Å; A586-H605 VanDerWaalsContact O-CA 3.27Å; A586-H605 WeakPolarHBondContact O-CA 3.49Å; A586-L606 HydrophobicContact CB-CD1 4.21Å; A586-L606 PolarHBondContact O-N 2.83Å
587I94Very high80.8Confident8 Ų829.2 Ų29.24%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-105.4139.2179.1-50.4177.3000110.1Y538 A568 G585 W603 A604 H605Y538-I587 PolarHBondContact OH-O 3.01Å; A568-I587 HydrophobicContact CB-CB 4.18Å; G585-I587 PolarHBondContact O-N 3.45Å; I587-W603 HydrophobicContact CG2-CB 3.9Å; I587-W603 HydrophobicContact CG2-CE3 4.01Å; I587-A604 VanDerWaalsContact CA-O 3.29Å; I587-A604 WeakPolarHBondContact CA-O 3.47Å; I587-A604 WeakPolarHBondContact CG2-O 3.39Å; I587-H605 WeakPolarHBondContact CG1-CD2 3.4Å
588K93.6Very high79.1Confident23 Ų2331.1 Ų31.110%0.118%0.176CC..EExtended strand (participates in β ladder)trans-133.7160.1170.3-62.5-173.476.186.60111Y538 D567 W603 A604 L606 K622 R623Y538-K588 HydrophobicContact CE1-CG 4.49Å; Y538-K588 HydrophobicContact CE2-CD 4.48Å; Y538-K588 HydrophobicContact CE2-CG 3.95Å; Y538-K588 PolarHBondContact O-NZ 2.91Å; D567-K588 VanDerWaalsContact OD2-CE 3.32Å; D567-K588 WeakPolarHBondContact OD2-CE 3.1Å; D567-K588 WeakPolarHBondContact OD2-CG 3.42Å; D567-K588 IonicContact OD2-NZ 3.08Å; D567-K588 PolarHBondContact OD2-NZ 2.87Å; K588-W603 WeakPolarHBondContact O-CA 3.22Å; K588-A604 PolarHBondContact N-O 3.12Å; K588-A604 PolarHBondContact O-N 3.28Å; K588-L606 HydrophobicContact CD-CD1 4.1Å; K588-L606 HydrophobicContact CD-CD2 3.83Å; K588-L606 HydrophobicContact CD-CG 4.22Å; K588-L606 HydrophobicContact CG-CD1 4.37Å; K588-L606 HydrophobicContact CG-CD2 4.26Å; K588-L606 HydrophobicContact CG-CG 4.27Å; K588-K622 WeakPolarHBondContact CE-O 3.37Å; K588-R623 HydrophobicContact CD-CB 4.03Å
589A90.5Very high78Confident28 Ų2833.4 Ų33.423%0.23120%0.199CC..EExtended strand (participates in β ladder)trans-71.1147.2170.600000110.3W603A589-W603 HydrophobicContact CB-CD2 3.95Å; A589-W603 HydrophobicContact CB-CE3 4.12Å; A589-W603 HydrophobicContact CB-CH2 4.04Å; A589-W603 HydrophobicContact CB-CZ2 3.88Å; A589-W603 HydrophobicContact CB-CZ3 4.17Å
590L87.5Confident76.9Confident9 Ų938.1 Ų38.15%0.04722%0.217CC..  trans-87.5151.8173.9-58.3177000110.3V578 N592 Y602 A604 A625 I627V578-L590 HydrophobicContact CG2-CD1 4.11Å; L590-N592 PolarHBondContact O-N 3.22Å; L590-Y602 PolarHBondContact N-O 2.7Å; L590-A604 HydrophobicContact CD1-CB 4.23Å; L590-A604 HydrophobicContact CD2-CB 3.82Å; L590-A604 HydrophobicContact CG-CB 4.26Å; L590-A625 CarbonylContact C-O 3.57Å; L590-A625 VanDerWaalsContact CA-O 3.22Å; L590-A625 WeakPolarHBondContact CA-O 3.38Å; L590-A625 HydrophobicContact CD2-CB 3.49Å; L590-A625 VanDerWaalsContact CD2-CB 3.49Å; L590-I627 HydrophobicContact CD1-CD1 3.53Å; L590-I627 HydrophobicContact CD1-CG1 3.84Å
591A84.8Confident76.2Confident34 Ų3440.5 Ų40.528%0.28123%0.232SC..SBendtrans-73-2.8178.400000114.6K618 L624 A625 F626A591-K618 HydrophobicContact CB-CD 4.36Å; A591-L624 HydrophobicContact CB-CD1 4.22Å; A591-L624 HydrophobicContact CB-CD2 3.83Å; A591-L624 HydrophobicContact CB-CG 3.71Å; A591-A625 PolarHBondContact N-O 2.93Å; A591-F626 HydrophobicContact CB-CB 4.36Å; A591-F626 HydrophobicContact CB-CD2 3.79Å
592N73.4Confident75.9Confident16 Ų1642 Ų429%0.08624%0.238CC..SBendtrans-63.2157.2176.8-6972.5000111.5L590 Y602 F626 I627L590-N592 PolarHBondContact O-N 3.22Å; N592-Y602 HydrophobicContact CB-CD2 4.24Å; N592-F626 HydrophobicContact CB-CE2 4.38Å; N592-F626 VanDerWaalsContact OD1-CA 3.29Å; N592-F626 WeakPolarHBondContact OD1-CA 3.47Å; N592-F626 WeakPolarHBondContact OD1-CD2 3.09Å; N592-F626 WeakPolarHBondContact OD1-CG 3.44Å; N592-I627 PolarHBondContact ND2-O 2.87Å; N592-I627 PolarHBondContact OD1-N 3.07Å
593I58Low75.9Confident150 Ų15043.4 Ų43.477%0.76924%0.243SC*.  trans-54.7146.9166.1-59.9173.7000108.5N595I593-N595 PolarHBondContact O-N 3Å
594N65.6Low76Confident79 Ų7941.9 Ų41.942%0.42224%0.238SC..  trans-45.3137.3172.4-74.1-23.4000110.6T596 G599 R600 P601N594-T596 PolarHBondContact O-N 2.71Å; N594-T596 VanDerWaalsContact O-N 3.1Å; N594-G599 PolarHBondContact ND2-O 2.84Å; N594-R600 CarbonylContact C-O 3.6Å; N594-R600 WeakPolarHBondContact CA-O 3.37Å; N594-P601 WeakPolarHBondContact OD1-CA 3.27Å; N594-P601 WeakPolarHBondContact OD1-CD 3.47Å; N594-P601 VanDerWaalsContact OD1-N 3.1Å
595N56.6Low76.2Confident3 Ų342.1 Ų42.12%0.01624%0.238CC..  trans-48.3118.6169.8169.5-58.5000109.1I416 I593 F597 T598 G599 R600 Y602I416-N595 VanDerWaalsContact CD1-CG 3.43Å; I416-N595 VanDerWaalsContact CD1-ND2 3.3Å; I416-N595 WeakPolarHBondContact CD1-ND2 3.38Å; I416-N595 WeakPolarHBondContact CD1-OD1 3.25Å; I593-N595 PolarHBondContact O-N 3Å; N595-F597 VanDerWaalsContact C-N 3.33Å; N595-F597 PolarHBondContact O-N 3.34Å; N595-F597 PolarHBondContact OD1-N 2.93Å; N595-T598 WeakPolarHBondContact CB-OG1 3.46Å; N595-T598 PolarHBondContact O-N 2.84Å; N595-T598 WeakPolarHBondContact OD1-CB 3.48Å; N595-T598 PolarHBondContact OD1-N 3.08Å; N595-T598 PolarHBondContact OD1-OG1 3.42Å; N595-G599 WeakPolarHBondContact O-CA 3.38Å; N595-G599 PolarHBondContact O-N 2.96Å; N595-R600 VanDerWaalsContact CB-O 3.23Å; N595-R600 WeakPolarHBondContact CB-O 3.47Å; N595-R600 PolarHBondContact N-O 3.34Å; N595-Y602 HydrophobicContact CB-CD1 4.15Å; N595-Y602 HydrophobicContact CB-CD2 4.26Å; N595-Y602 HydrophobicContact CB-CE1 3.72Å; N595-Y602 HydrophobicContact CB-CE2 3.81Å; N595-Y602 HydrophobicContact CB-CG 4.43Å; N595-Y602 WeakPolarHBondContact ND2-CE1 3.35Å; N595-Y602 PolarHBondContact ND2-OH 3.37Å
596T51.4Low76.3Confident103 Ų10341.4 Ų41.463%0.63223%0.231SC*.THydrogen-bonded Turntrans-64.8-31.3-163.144.60000114.2N594N594-T596 PolarHBondContact O-N 2.71Å; N594-T596 VanDerWaalsContact O-N 3.1Å
597F45.6Very low76.2Confident88 Ų8841.7 Ų41.739%0.38623%0.232SC..THydrogen-bonded Turntrans-98.1-2.7-179.5-10.1-139.3000114.1I416 N595 M654 I657I416-F597 HydrophobicContact CD1-CB 3.6Å; I416-F597 HydrophobicContact CD1-CD2 3.27Å; I416-F597 HydrophobicContact CD1-CE2 4.19Å; I416-F597 HydrophobicContact CD1-CG 3.66Å; I416-F597 HydrophobicContact CG1-CB 4.2Å; I416-F597 HydrophobicContact CG1-CD2 3.79Å; I416-F597 HydrophobicContact CG1-CE2 4.4Å; I416-F597 HydrophobicContact CG1-CG 4.04Å; N595-F597 VanDerWaalsContact C-N 3.33Å; N595-F597 PolarHBondContact O-N 3.34Å; N595-F597 PolarHBondContact OD1-N 2.93Å; F597-M654 HydrophobicContact CE1-CE 3.79Å; F597-M654 HydrophobicContact CE1-CG 3.9Å; F597-M654 HydrophobicContact CZ-CE 4.24Å; F597-M654 HydrophobicContact CZ-CG 4.4Å; F597-I657 HydrophobicContact CE1-CD1 4.2Å
598T55Low76.1Confident40 Ų4041.3 Ų41.325%0.24523%0.23CC..THydrogen-bonded Turntrans-120.4-11.3173.462.40000114.1F415 I416 N595 R600F415-T598 HydrophobicContact CB-CG2 4.2Å; F415-T598 HydrophobicContact CD1-CG2 3.36Å; F415-T598 HydrophobicContact CE1-CG2 3.88Å; F415-T598 HydrophobicContact CG-CG2 4.18Å; I416-T598 HydrophobicContact CD1-CG2 3.57Å; I416-T598 HydrophobicContact CG1-CG2 4.4Å; N595-T598 WeakPolarHBondContact CB-OG1 3.46Å; N595-T598 PolarHBondContact O-N 2.84Å; N595-T598 WeakPolarHBondContact OD1-CB 3.48Å; N595-T598 PolarHBondContact OD1-N 3.08Å; N595-T598 PolarHBondContact OD1-OG1 3.42Å; T598-R600 PolarHBondContact O-N 2.72Å; T598-R600 VanDerWaalsContact O-N 3.17Å
599G61.7Low76Confident49 Ų4940.3 Ų40.351%0.50523%0.226SC..  trans677.4-177.500000114.7N594 N595N594-G599 PolarHBondContact ND2-O 2.84Å; N595-G599 WeakPolarHBondContact O-CA 3.38Å; N595-G599 PolarHBondContact O-N 2.96Å
600R64.7Low75.9Confident106 Ų10640.1 Ų40.140%0.422%0.221SC..SBendtrans-106.3149.7-176.2-64.3-169.7-173.8174.5-0.2112F415 N594 N595 T598F415-R600 HydrophobicContact CE1-CG 4.33Å; N594-R600 CarbonylContact C-O 3.6Å; N594-R600 WeakPolarHBondContact CA-O 3.37Å; N595-R600 VanDerWaalsContact CB-O 3.23Å; N595-R600 WeakPolarHBondContact CB-O 3.47Å; N595-R600 PolarHBondContact N-O 3.34Å; T598-R600 PolarHBondContact O-N 2.72Å; T598-R600 VanDerWaalsContact O-N 3.17Å
601P74Confident75.8Confident49 Ų4941 Ų4132%0.31823%0.226SC..  trans-65.3146.5172.825.3-31.8000110.4N594 W603N594-P601 WeakPolarHBondContact OD1-CA 3.27Å; N594-P601 WeakPolarHBondContact OD1-CD 3.47Å; N594-P601 VanDerWaalsContact OD1-N 3.1Å; P601-W603 PolarHBondContact O-NE1 3.22Å
602Y81.1Confident75.9Confident32 Ų3239.6 Ų39.613%0.12521%0.213CC..  trans-69.7147.7168.2-65.4-78.3000110.1V578 L590 N592 N595V578-Y602 HydrophobicContact CG1-CD1 3.82Å; V578-Y602 HydrophobicContact CG1-CG 4.45Å; L590-Y602 PolarHBondContact N-O 2.7Å; N592-Y602 HydrophobicContact CB-CD2 4.24Å; N595-Y602 HydrophobicContact CB-CD1 4.15Å; N595-Y602 HydrophobicContact CB-CD2 4.26Å; N595-Y602 HydrophobicContact CB-CE1 3.72Å; N595-Y602 HydrophobicContact CB-CE2 3.81Å; N595-Y602 HydrophobicContact CB-CG 4.43Å; N595-Y602 WeakPolarHBondContact ND2-CE1 3.35Å; N595-Y602 PolarHBondContact ND2-OH 3.37Å
603W89.6Confident76.2Confident37 Ų3741.8 Ų41.814%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-130.3141179.3-68.976.5000110.9D567 A568 A571 P575 C577 V578 I587 K588 A589 P601D567-W603 HydrophobicContact CB-CH2 4.18Å; D567-W603 HydrophobicContact CB-CZ3 3.85Å; A568-W603 HydrophobicContact CB-CZ3 4.43Å; A571-W603 HydrophobicContact CB-CH2 3.66Å; A571-W603 HydrophobicContact CB-CZ2 3.6Å; P575-W603 HydrophobicContact CB-CB 3.84Å; P575-W603 VanDerWaalsContact CB-CD1 3.49Å; P575-W603 HydrophobicContact CB-CD2 3.43Å; P575-W603 VanDerWaalsContact CB-CD2 3.43Å; P575-W603 HydrophobicContact CB-CE3 4Å; P575-W603 HydrophobicContact CB-CG 3.32Å; P575-W603 HydrophobicContact CG-CB 4.48Å; P575-W603 HydrophobicContact CG-CD2 3.42Å; P575-W603 VanDerWaalsContact CG-CD2 3.42Å; P575-W603 HydrophobicContact CG-CE3 3.46Å; P575-W603 VanDerWaalsContact CG-CE3 3.46Å; P575-W603 HydrophobicContact CG-CG 3.88Å; P575-W603 HydrophobicContact CG-CH2 4.26Å; P575-W603 HydrophobicContact CG-CZ2 4.21Å; P575-W603 HydrophobicContact CG-CZ3 3.9Å; C577-W603 CarbonylContact C-O 3.53Å; C577-W603 WeakPolarHBondContact CA-O 3.12Å; V578-W603 WeakPolarHBondContact CG1-O 3.4Å; V578-W603 WeakPolarHBondContact CG2-O 3.45Å; V578-W603 PolarHBondContact N-O 3.44Å; I587-W603 HydrophobicContact CG2-CB 3.9Å; I587-W603 HydrophobicContact CG2-CE3 4.01Å; K588-W603 WeakPolarHBondContact O-CA 3.22Å; A589-W603 HydrophobicContact CB-CD2 3.95Å; A589-W603 HydrophobicContact CB-CE3 4.12Å; A589-W603 HydrophobicContact CB-CH2 4.04Å; A589-W603 HydrophobicContact CB-CZ2 3.88Å; A589-W603 HydrophobicContact CB-CZ3 4.17Å; P601-W603 PolarHBondContact O-NE1 3.22Å
604A91.1Very high77.2Confident2 Ų236 Ų362%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-132.5151.8176.800000111.3F579 I587 K588 L590 A609F579-A604 HydrophobicContact CD2-CB 3.74Å; F579-A604 HydrophobicContact CE2-CB 3.82Å; I587-A604 VanDerWaalsContact CA-O 3.29Å; I587-A604 WeakPolarHBondContact CA-O 3.47Å; I587-A604 WeakPolarHBondContact CG2-O 3.39Å; K588-A604 PolarHBondContact N-O 3.12Å; K588-A604 PolarHBondContact O-N 3.28Å; L590-A604 HydrophobicContact CD1-CB 4.23Å; L590-A604 HydrophobicContact CD2-CB 3.82Å; L590-A604 HydrophobicContact CG-CB 4.26Å; A604-A609 HydrophobicContact CB-CB 4.4Å
605H94.9Very high78.1Confident6 Ų633.2 Ų33.23%0.02819%0.192CC..EExtended strand (participates in β ladder)trans-61.8138.2156.4-64.4109000109C577 C580 M582 G584 A586 I587 V607 C608 A609C577-H605 VanDerWaalsContact CB-CE1 3.48Å; C577-H605 WeakPolarHBondContact CB-CE1 3.31Å; C577-H605 WeakPolarHBondContact CB-ND1 3.39Å; C577-H605 PolarHBondContact SG-N 3.12Å; C577-H605 PolarHBondContact SG-ND1 3.26Å; C580-H605 VanDerWaalsContact SG-CE1 3.52Å; C580-H605 PolarHBondContact SG-ND1 3.22Å; C580-H605 VanDerWaalsContact SG-ND1 3.37Å; M582-H605 PolarHBondContact O-CE1 3.07Å; M582-H605 VanDerWaalsContact O-CE1 3.29Å; G584-H605 PolarHBondContact O-CD2 3.19Å; G584-H605 PolarHBondContact O-NE2 3.27Å; A586-H605 CarbonylContact O-C 3.37Å; A586-H605 VanDerWaalsContact O-CA 3.27Å; A586-H605 WeakPolarHBondContact O-CA 3.49Å; I587-H605 WeakPolarHBondContact CG1-CD2 3.4Å; H605-V607 HydrophobicContact CB-CG2 3.94Å; H605-V607 PolarHBondContact O-N 2.9Å; H605-C608 HydrophobicContact CB-CB 4.18Å; H605-C608 WeakPolarHBondContact O-CB 3.45Å; H605-C608 PolarHBondContact O-N 2.77Å; H605-A609 PolarHBondContact O-N 3.17Å
606L94.4Very high79.4Confident3 Ų337.7 Ų37.72%0.01621%0.21CC..Hα-helixtrans-55.1-37.9173.9-75174000112V470 C537 Y538 A586 K588 A609 L610 F617 R623V470-L606 HydrophobicContact CG1-CB 4.25Å; V470-L606 HydrophobicContact CG2-CB 4.29Å; V470-L606 HydrophobicContact CG2-CD1 3.84Å; C537-L606 WeakPolarHBondContact O-CD1 3.21Å; Y538-L606 HydrophobicContact CD2-CD1 3.76Å; Y538-L606 HydrophobicContact CE2-CD1 4.26Å; A586-L606 HydrophobicContact CB-CD1 4.21Å; A586-L606 PolarHBondContact O-N 2.83Å; K588-L606 HydrophobicContact CD-CD1 4.1Å; K588-L606 HydrophobicContact CD-CD2 3.83Å; K588-L606 HydrophobicContact CD-CG 4.22Å; K588-L606 HydrophobicContact CG-CD1 4.37Å; K588-L606 HydrophobicContact CG-CD2 4.26Å; K588-L606 HydrophobicContact CG-CG 4.27Å; L606-A609 PolarHBondContact O-N 3.19Å; L606-L610 VanDerWaalsContact O-CG 3.32Å; L606-L610 WeakPolarHBondContact O-CG 3.44Å; L606-L610 PolarHBondContact O-N 2.72Å; L606-L610 VanDerWaalsContact O-N 3.08Å; L606-F617 HydrophobicContact CD2-CE1 3.75Å; L606-F617 HydrophobicContact CD2-CZ 4.15Å; L606-R623 HydrophobicContact CD2-CB 3.92Å
607V92.6Very high81.1Confident10 Ų1033.1 Ų33.16%0.06118%0.181CC..Hα-helixtrans-69.2-31.1177.6-58.20000113.4V470 F473 H605 T802V470-V607 HydrophobicContact CG1-CG1 4.15Å; F473-V607 HydrophobicContact CB-CB 4.39Å; F473-V607 HydrophobicContact CB-CG1 3.7Å; F473-V607 HydrophobicContact CD1-CB 4.39Å; F473-V607 HydrophobicContact CD1-CG1 4.38Å; F473-V607 HydrophobicContact CD2-CB 3.7Å; F473-V607 HydrophobicContact CD2-CG1 3.94Å; F473-V607 HydrophobicContact CD2-CG2 4.19Å; F473-V607 HydrophobicContact CE2-CB 4.04Å; F473-V607 HydrophobicContact CE2-CG2 4.48Å; F473-V607 HydrophobicContact CG-CB 3.9Å; F473-V607 HydrophobicContact CG-CG1 3.75Å; F473-V607 HydrophobicContact CZ-CB 4.49Å; H605-V607 HydrophobicContact CB-CG2 3.94Å; H605-V607 PolarHBondContact O-N 2.9Å; V607-T802 HydrophobicContact CG2-CG2 4.48Å
608C92.7Very high82.8Confident0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-70.6-44.5172-66.60000110.7F579 H605 L610 I611 T612F579-C608 HydrophobicContact CB-CB 3.84Å; F579-C608 HydrophobicContact CD2-CB 3.7Å; F579-C608 HydrophobicContact CG-CB 4.19Å; H605-C608 HydrophobicContact CB-CB 4.18Å; H605-C608 WeakPolarHBondContact O-CB 3.45Å; H605-C608 PolarHBondContact O-N 2.77Å; C608-L610 PolarHBondContact O-N 3.39Å; C608-I611 PolarHBondContact O-N 3.32Å; C608-T612 WeakPolarHBondContact O-CB 3.37Å; C608-T612 PolarHBondContact O-N 3.31Å; C608-T612 PolarHBondContact O-OG1 2.92Å
609A91.4Very high84.1Confident2 Ų235.9 Ų35.92%0.01719%0.191CC..Hα-helixtrans-64.1-20.5178.600000114.1A604 H605 L606 F617 A625A604-A609 HydrophobicContact CB-CB 4.4Å; H605-A609 PolarHBondContact O-N 3.17Å; L606-A609 PolarHBondContact O-N 3.19Å; A609-F617 HydrophobicContact CB-CE2 4.34Å; A609-F617 HydrophobicContact CB-CZ 3.92Å; A609-A625 HydrophobicContact CB-CB 3.61Å
610L87.9Confident85.1Confident24 Ų2434.1 Ų34.113%0.12617%0.171CC..THydrogen-bonded Turntrans-78.2-19.7175.8-77.6168.9000114.7I501 A505 Y506 L606 C608 F617 F820I501-L610 HydrophobicContact CD1-CD1 4.33Å; A505-L610 WeakPolarHBondContact O-CD2 3.5Å; Y506-L610 HydrophobicContact CD1-CD2 3.62Å; Y506-L610 HydrophobicContact CD1-CG 4.42Å; Y506-L610 HydrophobicContact CE1-CD1 4Å; Y506-L610 HydrophobicContact CE1-CD2 3.83Å; Y506-L610 HydrophobicContact CE1-CG 4.25Å; Y506-L610 HydrophobicContact CG-CD2 4.19Å; L606-L610 VanDerWaalsContact O-CG 3.32Å; L606-L610 WeakPolarHBondContact O-CG 3.44Å; L606-L610 PolarHBondContact O-N 2.72Å; L606-L610 VanDerWaalsContact O-N 3.08Å; C608-L610 PolarHBondContact O-N 3.39Å; L610-F617 HydrophobicContact CD2-CE2 3.65Å; L610-F617 HydrophobicContact CD2-CZ 4.15Å; L610-F617 HydrophobicContact CG-CE2 4.06Å; L610-F617 HydrophobicContact CG-CZ 4.21Å; L610-F820 HydrophobicContact CB-CD2 4.23Å; L610-F820 HydrophobicContact CB-CE2 3.97Å; L610-F820 HydrophobicContact CD1-CE2 4.11Å; L610-F820 HydrophobicContact CD1-CZ 4.27Å; L610-F820 HydrophobicContact CD2-CE2 3.98Å; L610-F820 HydrophobicContact CG-CE2 4.25Å
611I85.6Confident85.8Confident29 Ų2933.1 Ų33.115%0.14918%0.178CC..THydrogen-bonded Turntrans-125.5-35.3-174-60.2-158.6000113.4F473 C608 P613 A788 V801 I811 F820 I822F473-I611 HydrophobicContact CE1-CD1 3.64Å; F473-I611 HydrophobicContact CE1-CG1 4.22Å; F473-I611 HydrophobicContact CZ-CD1 3.51Å; F473-I611 HydrophobicContact CZ-CG1 4.2Å; C608-I611 PolarHBondContact O-N 3.32Å; I611-P613 WeakPolarHBondContact O-CD 3.46Å; I611-A788 HydrophobicContact CG2-CB 3.66Å; I611-V801 HydrophobicContact CB-CG2 4.08Å; I611-V801 HydrophobicContact CG2-CG2 4.28Å; I611-I811 HydrophobicContact CD1-CG2 4.22Å; I611-F820 HydrophobicContact CD1-CB 3.41Å; I611-F820 VanDerWaalsContact CD1-CB 3.41Å; I611-F820 HydrophobicContact CD1-CG 4.13Å; I611-F820 HydrophobicContact CG1-CB 3.8Å; I611-F820 HydrophobicContact CG1-CD2 4.19Å; I611-F820 HydrophobicContact CG1-CG 4.23Å; I611-I822 HydrophobicContact CD1-CD1 4.45Å; I611-I822 HydrophobicContact CD1-CG1 4.19Å; I611-I822 HydrophobicContact CG2-CD1 4.19Å; I611-I822 HydrophobicContact CG2-CG1 4.29Å
612T86.3Confident86.4Confident4 Ų436.5 Ų36.53%0.02519%0.188CC..SBendtrans-61.4123.1-173.3-69.30000110.6F579 C608 C615 P786F579-T612 HydrophobicContact CD1-CG2 3.59Å; F579-T612 HydrophobicContact CE1-CG2 3.43Å; F579-T612 VanDerWaalsContact CE1-CG2 3.43Å; F579-T612 HydrophobicContact CG-CG2 4.27Å; F579-T612 HydrophobicContact CZ-CG2 4Å; C608-T612 WeakPolarHBondContact O-CB 3.37Å; C608-T612 PolarHBondContact O-N 3.31Å; C608-T612 PolarHBondContact O-OG1 2.92Å; T612-C615 VanDerWaalsContact O-CB 3.3Å; T612-C615 WeakPolarHBondContact O-CB 3.46Å; T612-C615 PolarHBondContact O-N 2.96Å; T612-C615 VanDerWaalsContact O-N 3.12Å; T612-P786 HydrophobicContact CG2-CG 3.92Å; T612-P786 WeakPolarHBondContact CG2-O 3.39Å
613P81.1Confident86.8Confident62 Ų6235.2 Ų35.240%0.40318%0.183SC..THydrogen-bonded Turntrans-53.2144.4179.5-28.435.9000112.6I611 C615 P786I611-P613 WeakPolarHBondContact O-CD 3.46Å; P613-C615 PolarHBondContact O-N 3.24Å; P613-P786 WeakPolarHBondContact O-CG 3.38Å
614G78.8Confident86.8Confident29 Ų2936 Ų3630%0.29919%0.19SC..THydrogen-bonded Turntrans77.7-3.1-176.100000114.9I627 S628 T631G614-I627 CarbonylContact O-C 3.6Å; G614-I627 WeakPolarHBondContact O-CA 3.34Å; G614-S628 PolarHBondContact O-N 3.34Å; G614-T631 WeakPolarHBondContact CA-OG1 3.43Å
615C83.7Confident86.8Confident20 Ų2036.1 Ų36.114%0.13519%0.19CC..EExtended strand (participates in β ladder)trans-98.5139.3171.2-156.40000111.8F579 T612 P613 F626F579-C615 HydrophobicContact CE2-CB 4.34Å; F579-C615 HydrophobicContact CZ-CB 3.93Å; T612-C615 VanDerWaalsContact O-CB 3.3Å; T612-C615 WeakPolarHBondContact O-CB 3.46Å; T612-C615 PolarHBondContact O-N 2.96Å; T612-C615 VanDerWaalsContact O-N 3.12Å; P613-C615 PolarHBondContact O-N 3.24Å; C615-F626 CarbonylContact C-O 3.57Å; C615-F626 VanDerWaalsContact CA-O 3.25Å; C615-F626 WeakPolarHBondContact CA-O 3.41Å; C615-F626 PolarHBondContact SG-O 2.79Å
616Y84.7Confident86.4Confident96 Ų9637.6 Ų37.638%0.37620%0.197SC..EExtended strand (participates in β ladder)trans-153.1159177.559.8-93.6000111.5A625 F626Y616-A625 CarbonylContact O-C 3.46Å; Y616-A625 WeakPolarHBondContact O-CA 3.38Å; Y616-F626 HydrophobicContact CD2-CB 4.43Å; Y616-F626 AromaticContact CE1-CD1 3.8Å; Y616-F626 HydrophobicContact CE1-CD1 3.8Å; Y616-F626 HydrophobicContact CE1-CE1 4.48Å; Y616-F626 HydrophobicContact CE2-CB 4.14Å; Y616-F626 AromaticContact CE2-CD1 3.99Å; Y616-F626 HydrophobicContact CE2-CD1 3.99Å; Y616-F626 HydrophobicContact CE2-CG 4.35Å; Y616-F626 AromaticContact CZ-CD1 3.4Å; Y616-F626 VanDerWaalsContact CZ-CD1 3.4Å; Y616-F626 PolarHBondContact N-O 3.49Å; Y616-F626 PolarHBondContact O-N 2.9Å; Y616-F626 VanDerWaalsContact OH-CD1 3.22Å; Y616-F626 WeakPolarHBondContact OH-CD1 3.33Å; Y616-F626 WeakPolarHBondContact OH-CE1 3.39Å
617F85.9Confident85.8Confident8 Ų837.6 Ų37.64%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-90.8122.8177.7-63.4-100.4000111.7Y506 L606 A609 L610 V620 R623 L624 A625Y506-F617 HydrophobicContact CD1-CD1 4.36Å; Y506-F617 HydrophobicContact CD1-CD2 4.3Å; Y506-F617 AromaticContact CD1-CE1 4Å; Y506-F617 HydrophobicContact CD1-CE1 4Å; Y506-F617 AromaticContact CD1-CE2 3.95Å; Y506-F617 HydrophobicContact CD1-CE2 3.95Å; Y506-F617 AromaticContact CD1-CZ 3.79Å; Y506-F617 HydrophobicContact CD1-CZ 3.79Å; Y506-F617 HydrophobicContact CE1-CZ 4.33Å; Y506-F617 VanDerWaalsContact O-CB 3.32Å; Y506-F617 WeakPolarHBondContact O-CB 3.22Å; Y506-F617 WeakPolarHBondContact O-CD2 3.39Å; L606-F617 HydrophobicContact CD2-CE1 3.75Å; L606-F617 HydrophobicContact CD2-CZ 4.15Å; A609-F617 HydrophobicContact CB-CE2 4.34Å; A609-F617 HydrophobicContact CB-CZ 3.92Å; L610-F617 HydrophobicContact CD2-CE2 3.65Å; L610-F617 HydrophobicContact CD2-CZ 4.15Å; L610-F617 HydrophobicContact CG-CE2 4.06Å; L610-F617 HydrophobicContact CG-CZ 4.21Å; F617-V620 HydrophobicContact CB-CG2 4.02Å; F617-R623 HydrophobicContact CE1-CB 4.29Å; F617-L624 WeakPolarHBondContact CA-O 3.41Å; F617-A625 HydrophobicContact CD1-CB 3.92Å; F617-A625 HydrophobicContact CE1-CB 3.76Å; F617-A625 HydrophobicContact CG-CB 4.4Å; F617-A625 HydrophobicContact CZ-CB 4.08Å
618K80.9Confident85.3Confident148 Ų14838.3 Ų38.364%0.64320%0.202SC*.EExtended strand (participates in β ladder)trans-85.7-31.6178.4-176173.4-179.11730112.4A591 L624 F626A591-K618 HydrophobicContact CB-CD 4.36Å; K618-L624 PolarHBondContact N-O 3.09Å; K618-F626 HydrophobicContact CB-CB 4.38Å
619D83.3Confident84.6Confident38 Ų3844 Ų4420%0.20323%0.228CC..EExtended strand (participates in β ladder)trans-130.198.9170.3-179.4-33.8000107.6P621 K622 R623 L624D619-P621 VanDerWaalsContact OD1-CD 3.32Å; D619-P621 WeakPolarHBondContact OD1-CD 3.42Å; D619-K622 HydrophobicContact CB-CB 4.37Å; D619-K622 PolarHBondContact O-N 3.36Å; D619-K622 WeakPolarHBondContact OD1-CB 3.45Å; D619-K622 WeakPolarHBondContact OD1-CG 3.33Å; D619-K622 PolarHBondContact OD1-N 2.98Å; D619-K622 WeakPolarHBondContact OD2-CD 3.22Å; D619-K622 WeakPolarHBondContact OD2-CG 3.29Å; D619-K622 IonicContact OD2-NZ 2.74Å; D619-K622 PolarHBondContact OD2-NZ 2.94Å; D619-R623 PolarHBondContact O-N 3.1Å; D619-R623 VanDerWaalsContact O-N 3.08Å; D619-L624 HydrophobicContact CB-CB 3.94Å; D619-L624 HydrophobicContact CB-CD2 4.25Å; D619-L624 PolarHBondContact N-O 3.46Å; D619-L624 PolarHBondContact O-N 3.28Å
620V81.6Confident83.9Confident11 Ų1148.1 Ų48.17%0.06725%0.25CS..THydrogen-bonded Turntrans-64.7-48.8-177.1175.60000112Y506 H507 F617 K622 R623Y506-V620 WeakPolarHBondContact O-CG2 3.37Å; H507-V620 VanDerWaalsContact CE1-CG1 3.46Å; H507-V620 WeakPolarHBondContact CE1-CG1 3.47Å; F617-V620 HydrophobicContact CB-CG2 4.02Å; V620-K622 VanDerWaalsContact C-N 3.25Å; V620-K622 PolarHBondContact O-N 2.69Å; V620-R623 WeakPolarHBondContact O-CD 3.31Å; V620-R623 PolarHBondContact O-N 2.9Å; V620-R623 PolarHBondContact O-NH1 3.23Å
621P81Confident83.5Confident86 Ų8648 Ų4856%0.55825%0.25SS*.THydrogen-bonded Turntrans-54.6-36.1176.9-2936.4000114.5G539 D619G539-P621 CarbonylContact C-O 3.57Å; G539-P621 WeakPolarHBondContact CA-O 3.16Å; D619-P621 VanDerWaalsContact OD1-CD 3.32Å; D619-P621 WeakPolarHBondContact OD1-CD 3.42Å
622K85.4Confident82.8Confident120 Ų12048.6 Ų48.652%0.52225%0.253SS..THydrogen-bonded Turntrans-87.3-3.3175.6-61.4-169.1-167.291.20114.2K588 D619 V620 L624K588-K622 WeakPolarHBondContact CE-O 3.37Å; D619-K622 HydrophobicContact CB-CB 4.37Å; D619-K622 PolarHBondContact O-N 3.36Å; D619-K622 WeakPolarHBondContact OD1-CB 3.45Å; D619-K622 WeakPolarHBondContact OD1-CG 3.33Å; D619-K622 PolarHBondContact OD1-N 2.98Å; D619-K622 WeakPolarHBondContact OD2-CD 3.22Å; D619-K622 WeakPolarHBondContact OD2-CG 3.29Å; D619-K622 IonicContact OD2-NZ 2.74Å; D619-K622 PolarHBondContact OD2-NZ 2.94Å; V620-K622 VanDerWaalsContact C-N 3.25Å; V620-K622 PolarHBondContact O-N 2.69Å; K622-L624 VanDerWaalsContact C-N 3.27Å; K622-L624 HydrophobicContact CB-CB 4.45Å; K622-L624 PolarHBondContact O-N 3.1Å
623R90.3Very high82.1Confident4 Ų453.5 Ų53.52%0.01528%0.275CS..THydrogen-bonded Turntrans53.642.4-173.1-58.3-66-168.3-101.22.8112.7E503 Y506 R536 G539 K588 L606 F617 D619 V620 A625E503-R623 IonicContact OE1-NH1 2.71Å; E503-R623 IonicContact OE1-NH2 2.91Å; E503-R623 PolarHBondContact OE1-NH2 3.12Å; E503-R623 VanDerWaalsContact OE1-NH2 3.1Å; E503-R623 IonicContact OE2-CZ 3.33Å; E503-R623 IonicContact OE2-NH1 2.7Å; E503-R623 PolarHBondContact OE2-NH1 2.98Å; E503-R623 IonicContact OE2-NH2 3.34Å; E503-R623 PolarHBondContact OE2-NH2 3.28Å; Y506-R623 VanDerWaalsContact CD2-CZ 3.48Å; Y506-R623 VanDerWaalsContact CE1-CD 3.45Å; Y506-R623 VanDerWaalsContact CZ-NE 3.34Å; R536-R623 PolarHBondContact O-NE 2.83Å; R536-R623 PolarHBondContact O-NH2 3.4Å; R536-R623 VanDerWaalsContact O-NH2 3.08Å; G539-R623 VanDerWaalsContact CA-CG 3.43Å; G539-R623 VanDerWaalsContact N-CG 3.28Å; K588-R623 HydrophobicContact CD-CB 4.03Å; L606-R623 HydrophobicContact CD2-CB 3.92Å; F617-R623 HydrophobicContact CE1-CB 4.29Å; D619-R623 PolarHBondContact O-N 3.1Å; D619-R623 VanDerWaalsContact O-N 3.08Å; V620-R623 WeakPolarHBondContact O-CD 3.31Å; V620-R623 PolarHBondContact O-N 2.9Å; V620-R623 PolarHBondContact O-NH1 3.23Å; R623-A625 PolarHBondContact O-N 2.85Å
624L89.3Confident81.7Confident55 Ų5554 Ų5429%0.28828%0.279SS..EExtended strand (participates in β ladder)trans-91.495.2-177.4-170.466.6000110.4A591 F617 K618 D619 K622A591-L624 HydrophobicContact CB-CD1 4.22Å; A591-L624 HydrophobicContact CB-CD2 3.83Å; A591-L624 HydrophobicContact CB-CG 3.71Å; F617-L624 WeakPolarHBondContact CA-O 3.41Å; K618-L624 PolarHBondContact N-O 3.09Å; D619-L624 HydrophobicContact CB-CB 3.94Å; D619-L624 HydrophobicContact CB-CD2 4.25Å; D619-L624 PolarHBondContact N-O 3.46Å; D619-L624 PolarHBondContact O-N 3.28Å; K622-L624 VanDerWaalsContact C-N 3.27Å; K622-L624 HydrophobicContact CB-CB 4.45Å; K622-L624 PolarHBondContact O-N 3.1Å
625A90.1Very high81.2Confident3 Ų352.9 Ų52.93%0.02527%0.267CS..EExtended strand (participates in β ladder)trans-75.4157.9176.800000112.9L590 A591 A609 Y616 F617 R623L590-A625 CarbonylContact C-O 3.57Å; L590-A625 VanDerWaalsContact CA-O 3.22Å; L590-A625 WeakPolarHBondContact CA-O 3.38Å; L590-A625 HydrophobicContact CD2-CB 3.49Å; L590-A625 VanDerWaalsContact CD2-CB 3.49Å; A591-A625 PolarHBondContact N-O 2.93Å; A609-A625 HydrophobicContact CB-CB 3.61Å; Y616-A625 CarbonylContact O-C 3.46Å; Y616-A625 WeakPolarHBondContact O-CA 3.38Å; F617-A625 HydrophobicContact CD1-CB 3.92Å; F617-A625 HydrophobicContact CE1-CB 3.76Å; F617-A625 HydrophobicContact CG-CB 4.4Å; F617-A625 HydrophobicContact CZ-CB 4.08Å; R623-A625 PolarHBondContact O-N 2.85Å
626F87.2Confident80.4Confident38 Ų3854.1 Ų54.117%0.16727%0.274CS..EExtended strand (participates in β ladder)trans-143.8149.6-177.9-173.2-88.2000109A591 N592 C615 Y616 K618A591-F626 HydrophobicContact CB-CB 4.36Å; A591-F626 HydrophobicContact CB-CD2 3.79Å; N592-F626 HydrophobicContact CB-CE2 4.38Å; N592-F626 VanDerWaalsContact OD1-CA 3.29Å; N592-F626 WeakPolarHBondContact OD1-CA 3.47Å; N592-F626 WeakPolarHBondContact OD1-CD2 3.09Å; N592-F626 WeakPolarHBondContact OD1-CG 3.44Å; C615-F626 CarbonylContact C-O 3.57Å; C615-F626 VanDerWaalsContact CA-O 3.25Å; C615-F626 WeakPolarHBondContact CA-O 3.41Å; C615-F626 PolarHBondContact SG-O 2.79Å; Y616-F626 HydrophobicContact CD2-CB 4.43Å; Y616-F626 AromaticContact CE1-CD1 3.8Å; Y616-F626 HydrophobicContact CE1-CD1 3.8Å; Y616-F626 HydrophobicContact CE1-CE1 4.48Å; Y616-F626 HydrophobicContact CE2-CB 4.14Å; Y616-F626 AromaticContact CE2-CD1 3.99Å; Y616-F626 HydrophobicContact CE2-CD1 3.99Å; Y616-F626 HydrophobicContact CE2-CG 4.35Å; Y616-F626 AromaticContact CZ-CD1 3.4Å; Y616-F626 VanDerWaalsContact CZ-CD1 3.4Å; Y616-F626 PolarHBondContact N-O 3.49Å; Y616-F626 PolarHBondContact O-N 2.9Å; Y616-F626 VanDerWaalsContact OH-CD1 3.22Å; Y616-F626 WeakPolarHBondContact OH-CD1 3.33Å; Y616-F626 WeakPolarHBondContact OH-CE1 3.39Å; K618-F626 HydrophobicContact CB-CB 4.38Å
627I82.4Confident79.6Confident2 Ų252.8 Ų52.81%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-110.3132.2174.9-59177.1000108.6V578 F579 L590 N592 G614 T631 I632 L785V578-I627 HydrophobicContact CG2-CD1 4.24Å; F579-I627 HydrophobicContact CE1-CD1 3.8Å; F579-I627 HydrophobicContact CE1-CG1 4.4Å; F579-I627 HydrophobicContact CE2-CD1 4.22Å; F579-I627 HydrophobicContact CZ-CD1 3.42Å; F579-I627 VanDerWaalsContact CZ-CD1 3.42Å; F579-I627 HydrophobicContact CZ-CG1 3.72Å; L590-I627 HydrophobicContact CD1-CD1 3.53Å; L590-I627 HydrophobicContact CD1-CG1 3.84Å; N592-I627 PolarHBondContact ND2-O 2.87Å; N592-I627 PolarHBondContact OD1-N 3.07Å; G614-I627 CarbonylContact O-C 3.6Å; G614-I627 WeakPolarHBondContact O-CA 3.34Å; I627-T631 HydrophobicContact CG2-CG2 3.76Å; I627-I632 HydrophobicContact CB-CD1 4.47Å; I627-I632 HydrophobicContact CG2-CD1 4.41Å; I627-I632 HydrophobicContact CG2-CG1 3.95Å; I627-L785 HydrophobicContact CD1-CD1 4.31Å; I627-L785 HydrophobicContact CD1-CD2 4.48Å
628S82.4Confident78.6Confident25 Ų2555.5 Ų55.518%0.17529%0.294CS..  trans-60146.4178.777.20000112G614 D630 T631 I632G614-S628 PolarHBondContact O-N 3.34Å; S628-D630 PolarHBondContact O-N 3.12Å; S628-T631 WeakPolarHBondContact O-CB 3.25Å; S628-T631 PolarHBondContact O-N 2.91Å; S628-T631 VanDerWaalsContact O-N 3.15Å; S628-T631 WeakPolarHBondContact OG-CB 3.45Å; S628-T631 PolarHBondContact OG-N 3.25Å; S628-T631 PolarHBondContact OG-OG1 3.11Å; S628-I632 PolarHBondContact O-N 2.7Å
629E76.8Confident77.8Confident120 Ų12048.6 Ų48.656%0.56126%0.264SS*.Hα-helixtrans-61.7-36.7179.6-165.9-177.7138.900111.4T631 I632 K633E629-T631 VanDerWaalsContact C-N 3.34Å; E629-T631 PolarHBondContact O-N 2.71Å; E629-I632 WeakPolarHBondContact O-CB 3.28Å; E629-I632 PolarHBondContact O-N 3.44Å; E629-I632 VanDerWaalsContact O-N 3.14Å; E629-K633 HydrophobicContact CG-CD 4.44Å; E629-K633 WeakPolarHBondContact O-CG 3.32Å; E629-K633 PolarHBondContact O-N 2.88Å; E629-K633 WeakPolarHBondContact OE1-CE 3.22Å; E629-K633 IonicContact OE1-NZ 3.79Å; E629-K633 PolarHBondContact OE1-NZ 2.93Å
630D78.1Confident76.7Confident88 Ų8848.5 Ų48.547%0.47126%0.263SS..Hα-helixtrans-62-40.8175.5-49.8-50.6000111.8S628 I632 K633 S634S628-D630 PolarHBondContact O-N 3.12Å; D630-I632 VanDerWaalsContact C-N 3.27Å; D630-I632 PolarHBondContact O-N 3.17Å; D630-K633 PolarHBondContact O-N 3.12Å; D630-S634 WeakPolarHBondContact O-CB 3.3Å; D630-S634 PolarHBondContact O-N 3.37Å; D630-S634 PolarHBondContact O-OG 3.17Å; D630-S634 VanDerWaalsContact O-OG 3.11Å
631T78.4Confident75.8Confident21 Ų2152.9 Ų52.913%0.12929%0.286CS..Hα-helixtrans-61.1-39.2175.1-59.10000111.3G614 I627 S628 E629 A635 L785 P786G614-T631 WeakPolarHBondContact CA-OG1 3.43Å; I627-T631 HydrophobicContact CG2-CG2 3.76Å; S628-T631 WeakPolarHBondContact O-CB 3.25Å; S628-T631 PolarHBondContact O-N 2.91Å; S628-T631 VanDerWaalsContact O-N 3.15Å; S628-T631 WeakPolarHBondContact OG-CB 3.45Å; S628-T631 PolarHBondContact OG-N 3.25Å; S628-T631 PolarHBondContact OG-OG1 3.11Å; E629-T631 VanDerWaalsContact C-N 3.34Å; E629-T631 PolarHBondContact O-N 2.71Å; T631-A635 VanDerWaalsContact O-CB 3.31Å; T631-A635 WeakPolarHBondContact O-CB 3.28Å; T631-A635 PolarHBondContact O-N 2.97Å; T631-L785 HydrophobicContact CG2-CD2 4.34Å; T631-P786 HydrophobicContact CG2-CG 3.58Å
632I71.9Confident74.8Confident42 Ų4253.5 Ų53.522%0.21528%0.277CS..Hα-helixtrans-68.7-45.4176.1-64171.7000110.4I627 S628 E629 D630 A635 V636I627-I632 HydrophobicContact CB-CD1 4.47Å; I627-I632 HydrophobicContact CG2-CD1 4.41Å; I627-I632 HydrophobicContact CG2-CG1 3.95Å; S628-I632 PolarHBondContact O-N 2.7Å; E629-I632 WeakPolarHBondContact O-CB 3.28Å; E629-I632 PolarHBondContact O-N 3.44Å; E629-I632 VanDerWaalsContact O-N 3.14Å; D630-I632 VanDerWaalsContact C-N 3.27Å; D630-I632 PolarHBondContact O-N 3.17Å; I632-A635 PolarHBondContact O-N 3.09Å; I632-V636 HydrophobicContact CG2-CG2 4.44Å; I632-V636 WeakPolarHBondContact O-CG2 3.43Å; I632-V636 PolarHBondContact O-N 2.67Å
633K69.8Low73.3Confident108 Ų10849 Ų4947%0.4726%0.261SS..Hα-helixtrans-60-47.7176.8-73.8171.3-179.7162.80111.7E629 D630 A635 V636 S637E629-K633 HydrophobicContact CG-CD 4.44Å; E629-K633 WeakPolarHBondContact O-CG 3.32Å; E629-K633 PolarHBondContact O-N 2.88Å; E629-K633 WeakPolarHBondContact OE1-CE 3.22Å; E629-K633 IonicContact OE1-NZ 3.79Å; E629-K633 PolarHBondContact OE1-NZ 2.93Å; D630-K633 PolarHBondContact O-N 3.12Å; K633-A635 PolarHBondContact O-N 3.15Å; K633-V636 PolarHBondContact O-N 2.78Å; K633-S637 WeakPolarHBondContact O-CB 3.45Å; K633-S637 PolarHBondContact O-N 3.34Å; K633-S637 PolarHBondContact O-OG 2.93Å; K633-S637 VanDerWaalsContact O-OG 3.13Å
634S73.1Confident71.1Confident72 Ų7253.5 Ų53.550%0.50329%0.293SS..Hα-helixtrans-60.2-43.9176.2-640000112D630 S637 L638D630-S634 WeakPolarHBondContact O-CB 3.3Å; D630-S634 PolarHBondContact O-N 3.37Å; D630-S634 PolarHBondContact O-OG 3.17Å; D630-S634 VanDerWaalsContact O-OG 3.11Å; S634-S637 PolarHBondContact O-N 2.81Å; S634-L638 WeakPolarHBondContact O-CB 3.33Å; S634-L638 WeakPolarHBondContact O-CG 3.3Å; S634-L638 PolarHBondContact O-N 2.81Å
635A69.3Low68.8Low5 Ų559.1 Ų59.14%0.04132%0.318CS..Hα-helixtrans-61.5-46.6175.700000111.8T631 I632 K633 A639 F784 L785T631-A635 VanDerWaalsContact O-CB 3.31Å; T631-A635 WeakPolarHBondContact O-CB 3.28Å; T631-A635 PolarHBondContact O-N 2.97Å; I632-A635 PolarHBondContact O-N 3.09Å; K633-A635 PolarHBondContact O-N 3.15Å; A635-A639 WeakPolarHBondContact O-CB 3.49Å; A635-A639 PolarHBondContact O-N 3.1Å; A635-F784 HydrophobicContact CB-CB 4.24Å; A635-F784 VanDerWaalsContact CB-O 3.32Å; A635-F784 WeakPolarHBondContact CB-O 3.43Å; A635-L785 HydrophobicContact CB-CD2 4.19Å
636V66Low66.2Low47 Ų4764.6 Ų64.629%0.28536%0.356SS..Hα-helixtrans-60.9-46.9176.8170.10000111.4I632 K633 A639 I640I632-V636 HydrophobicContact CG2-CG2 4.44Å; I632-V636 WeakPolarHBondContact O-CG2 3.43Å; I632-V636 PolarHBondContact O-N 2.67Å; K633-V636 PolarHBondContact O-N 2.78Å; V636-A639 PolarHBondContact O-N 2.99Å; V636-I640 HydrophobicContact CG1-CD1 3.84Å; V636-I640 HydrophobicContact CG1-CG1 4.45Å; V636-I640 WeakPolarHBondContact O-CG1 3.48Å; V636-I640 PolarHBondContact O-N 2.92Å
637S67.3Low64.2Low68 Ų6867.4 Ų67.448%0.47637%0.373SS..Hα-helixtrans-62-47.1179-66.70000112.7K633 S634 A639 I640 L641K633-S637 WeakPolarHBondContact O-CB 3.45Å; K633-S637 PolarHBondContact O-N 3.34Å; K633-S637 PolarHBondContact O-OG 2.93Å; K633-S637 VanDerWaalsContact O-OG 3.13Å; S634-S637 PolarHBondContact O-N 2.81Å; S637-A639 VanDerWaalsContact C-N 3.29Å; S637-A639 PolarHBondContact O-N 3.27Å; S637-I640 PolarHBondContact O-N 3.31Å; S637-L641 WeakPolarHBondContact O-CG 3.49Å; S637-L641 PolarHBondContact O-N 3.48Å; S637-L641 VanDerWaalsContact O-N 3.12Å
638L66.7Low62.4Low65 Ų6575 Ų7534%0.3441%0.408SS..Hα-helixtrans-55.6-47.7171.8-77.6168.3000110.6S634 I640 L641 Y642 F784S634-L638 WeakPolarHBondContact O-CB 3.33Å; S634-L638 WeakPolarHBondContact O-CG 3.3Å; S634-L638 PolarHBondContact O-N 2.81Å; L638-I640 VanDerWaalsContact C-N 3.32Å; L638-I640 PolarHBondContact O-N 2.83Å; L638-L641 WeakPolarHBondContact O-CB 3.5Å; L638-L641 PolarHBondContact O-N 3.17Å; L638-L641 VanDerWaalsContact O-N 3.17Å; L638-Y642 HydrophobicContact CD2-CE2 4.44Å; L638-Y642 WeakPolarHBondContact O-CD2 3.33Å; L638-Y642 PolarHBondContact O-N 3.02Å; L638-Y642 VanDerWaalsContact O-N 3.09Å; L638-F784 HydrophobicContact CB-CB 4.31Å; L638-F784 HydrophobicContact CB-CD1 4.17Å; L638-F784 HydrophobicContact CB-CG 4.42Å
639A62.2Low60.5Low2 Ų283.4 Ų83.42%0.01744%0.436CS..Hα-helixtrans-65.6-33.6-176.600000113R419 A635 V636 S637 S643 F784R419-A639 PolarHBondContact NH1-O 3Å; A635-A639 WeakPolarHBondContact O-CB 3.49Å; A635-A639 PolarHBondContact O-N 3.1Å; V636-A639 PolarHBondContact O-N 2.99Å; S637-A639 VanDerWaalsContact C-N 3.29Å; S637-A639 PolarHBondContact O-N 3.27Å; A639-S643 WeakPolarHBondContact O-CB 2.95Å; A639-S643 PolarHBondContact O-N 3.24Å; A639-S643 VanDerWaalsContact O-N 3.12Å; A639-F784 HydrophobicContact CB-CB 4.36Å; A639-F784 HydrophobicContact CB-CD2 3.22Å; A639-F784 HydrophobicContact CB-CE2 3.56Å; A639-F784 HydrophobicContact CB-CG 3.91Å; A639-F784 HydrophobicContact CB-CZ 4.49Å
640I61.8Low59Low36 Ų3680.5 Ų80.519%0.18543%0.426CS..Hα-helixtrans-64.1-47.3172.1-70.2165.8000110.1V636 S637 L638 Y642 S643 M654V636-I640 HydrophobicContact CG1-CD1 3.84Å; V636-I640 HydrophobicContact CG1-CG1 4.45Å; V636-I640 WeakPolarHBondContact O-CG1 3.48Å; V636-I640 PolarHBondContact O-N 2.92Å; S637-I640 PolarHBondContact O-N 3.31Å; L638-I640 VanDerWaalsContact C-N 3.32Å; L638-I640 PolarHBondContact O-N 2.83Å; I640-Y642 VanDerWaalsContact C-N 3.28Å; I640-Y642 PolarHBondContact O-N 2.94Å; I640-S643 WeakPolarHBondContact CA-OG 3.23Å; I640-S643 PolarHBondContact O-N 3.33Å; I640-S643 PolarHBondContact O-OG 2.94Å; I640-M654 HydrophobicContact CD1-CB 4.1Å; I640-M654 HydrophobicContact CG1-CB 4.21Å; I640-M654 HydrophobicContact CG1-SD 4.18Å
641L62.5Low57.4Low104 Ų10478.2 Ų78.255%0.54541%0.414SS..Hα-helixtrans-56.4-41.7177.6-67.2166.2000112.1S637 L638 S643 S644S637-L641 WeakPolarHBondContact O-CG 3.49Å; S637-L641 PolarHBondContact O-N 3.48Å; S637-L641 VanDerWaalsContact O-N 3.12Å; L638-L641 WeakPolarHBondContact O-CB 3.5Å; L638-L641 PolarHBondContact O-N 3.17Å; L638-L641 VanDerWaalsContact O-N 3.17Å; L641-S643 VanDerWaalsContact C-N 3.35Å; L641-S644 PolarHBondContact O-OG 3.49Å
642Y59.8Low55.8Low98 Ų9881.5 Ų81.538%0.38443%0.43SS..THydrogen-bonded Turntrans-80.1-6.5176.8-71.6-69000115.2L638 I640 S644 S769 L770 P771 F784L638-Y642 HydrophobicContact CD2-CE2 4.44Å; L638-Y642 WeakPolarHBondContact O-CD2 3.33Å; L638-Y642 PolarHBondContact O-N 3.02Å; L638-Y642 VanDerWaalsContact O-N 3.09Å; I640-Y642 VanDerWaalsContact C-N 3.28Å; I640-Y642 PolarHBondContact O-N 2.94Å; Y642-S644 VanDerWaalsContact C-N 3.26Å; Y642-S644 PolarHBondContact O-N 2.88Å; Y642-S769 PolarHBondContact OH-O 3.41Å; Y642-L770 WeakPolarHBondContact OH-CA 3.25Å; Y642-P771 HydrophobicContact CD1-CG 4.38Å; Y642-P771 HydrophobicContact CD2-CB 4.24Å; Y642-P771 HydrophobicContact CD2-CG 4.01Å; Y642-P771 HydrophobicContact CE1-CG 4.02Å; Y642-P771 HydrophobicContact CE2-CB 3.78Å; Y642-P771 HydrophobicContact CE2-CG 3.64Å; Y642-P771 HydrophobicContact CG-CG 4.43Å; Y642-P771 WeakPolarHBondContact OH-CD 3.47Å; Y642-F784 HydrophobicContact CD2-CD1 4.36Å; Y642-F784 AromaticContact CD2-CE1 3.55Å; Y642-F784 HydrophobicContact CD2-CE1 3.55Å; Y642-F784 HydrophobicContact CD2-CZ 4.05Å; Y642-F784 HydrophobicContact CE2-CE1 4.41Å; Y642-F784 HydrophobicContact CG-CE1 4.02Å; Y642-F784 HydrophobicContact CG-CZ 4.12Å
643S54.7Low54.7Low27 Ų2786 Ų8619%0.18945%0.451CS..THydrogen-bonded Turntrans-87.310.7176660000114.3A639 I640 L641 E645A639-S643 WeakPolarHBondContact O-CB 2.95Å; A639-S643 PolarHBondContact O-N 3.24Å; A639-S643 VanDerWaalsContact O-N 3.12Å; I640-S643 WeakPolarHBondContact CA-OG 3.23Å; I640-S643 PolarHBondContact O-N 3.33Å; I640-S643 PolarHBondContact O-OG 2.94Å; L641-S643 VanDerWaalsContact C-N 3.35Å; S643-E645 PolarHBondContact O-N 2.7Å; S643-E645 VanDerWaalsContact O-N 3.1Å
644S42.5Very low53.3Low98 Ų9881.9 Ų81.969%0.68543%0.433SS*.  trans-68.9-0.5-178.441.40000114.9L641 Y642L641-S644 PolarHBondContact O-OG 3.49Å; Y642-S644 VanDerWaalsContact C-N 3.26Å; Y642-S644 PolarHBondContact O-N 2.88Å
645E41.5Very low52Low173 Ų17383 Ų8381%0.80843%0.431SS*.SBendtrans-94.3101.2163.1-68.4-172.7157.600111.4S643S643-E645 PolarHBondContact O-N 2.7Å; S643-E645 VanDerWaalsContact O-N 3.1Å
646S36.5Very low50.7Low117 Ų11789 Ų8982%0.81846%0.462SS*.SBendtrans84.722.3149.375.80000123
647N44.9Very low49.5Very low97 Ų9791.9 Ų91.952%0.51948%0.475SS..  trans-155.193.4164.7-134.7-38.2000117.3R649 V650 I651N647-R649 VanDerWaalsContact C-N 3.3Å; N647-R649 PolarHBondContact O-N 3.14Å; N647-V650 HydrophobicContact CB-CB 4.42Å; N647-V650 HydrophobicContact CB-CG2 4.05Å; N647-V650 PolarHBondContact O-N 3.18Å; N647-I651 PolarHBondContact O-N 2.89Å
648E44.5Very low48Very low162 Ų16293.1 Ų93.176%0.75748%0.483SS*.Hα-helixtrans-58.6-33178-70.2-174.4146.100114.4V650 I651 N652E648-V650 PolarHBondContact O-N 3.02Å; E648-I651 PolarHBondContact O-N 2.77Å; E648-N652 PolarHBondContact O-N 2.72Å; E648-N652 PolarHBondContact O-ND2 3.08Å
649R42.8Very low46.3Very low202 Ų20294.4 Ų94.476%0.76250%0.498SS*.Hα-helixtrans-62-43.7179.4-82.3-172.1174.5-172.1-1.7112.4N647 I651 N652 E653N647-R649 VanDerWaalsContact C-N 3.3Å; N647-R649 PolarHBondContact O-N 3.14Å; R649-I651 VanDerWaalsContact C-N 3.31Å; R649-I651 PolarHBondContact O-N 2.8Å; R649-N652 PolarHBondContact O-N 2.93Å; R649-E653 PolarHBondContact O-N 3.1Å
650V44.9Very low44.7Very low58 Ų58100 Ų10035%0.35253%0.534SS..Hα-helixtrans-68.5-35-178.7-177.70000110.7N647 E648 M654N647-V650 HydrophobicContact CB-CB 4.42Å; N647-V650 HydrophobicContact CB-CG2 4.05Å; N647-V650 PolarHBondContact O-N 3.18Å; E648-V650 PolarHBondContact O-N 3.02Å; V650-M654 HydrophobicContact CG1-CE 3.81Å; V650-M654 HydrophobicContact CG1-SD 4.2Å; V650-M654 WeakPolarHBondContact O-CB 3.47Å; V650-M654 VanDerWaalsContact O-CG 3.3Å; V650-M654 WeakPolarHBondContact O-CG 3.42Å; V650-M654 PolarHBondContact O-N 2.69Å
651I44.6Very low43.1Very low40 Ų40105.4 Ų105.421%0.20556%0.563CS.*Hα-helixtrans-65-46.2176.1-64.1170.3000110.5N647 E648 R649 M654 Q655N647-I651 PolarHBondContact O-N 2.89Å; E648-I651 PolarHBondContact O-N 2.77Å; R649-I651 VanDerWaalsContact C-N 3.31Å; R649-I651 PolarHBondContact O-N 2.8Å; I651-M654 PolarHBondContact O-N 2.81Å; I651-Q655 HydrophobicContact CG2-CG 4.34Å; I651-Q655 WeakPolarHBondContact O-CB 3.32Å; I651-Q655 VanDerWaalsContact O-CG 3.32Å; I651-Q655 WeakPolarHBondContact O-CG 3.24Å; I651-Q655 PolarHBondContact O-N 3.49Å
652N44.5Very low41.5Very low90 Ų90108.3 Ų108.348%0.48157%0.574SS.*Hα-helixtrans-64.3-40177.6-76.6-35.3000113.1E648 R649 M654 N656E648-N652 PolarHBondContact O-N 2.72Å; E648-N652 PolarHBondContact O-ND2 3.08Å; R649-N652 PolarHBondContact O-N 2.93Å; N652-M654 VanDerWaalsContact C-N 3.34Å; N652-N656 PolarHBondContact O-N 2.81Å; N652-N656 PolarHBondContact O-ND2 3.23Å
653E49.3Very low39.9Very low137 Ų137109.4 Ų109.464%0.6459%0.59SS**Hα-helixtrans-65.5-35.9174.3-73.5175.9-178.300112.1R649 I657R649-E653 PolarHBondContact O-N 3.1Å; E653-I657 WeakPolarHBondContact O-CD1 3.21Å; E653-I657 WeakPolarHBondContact O-CG1 3.48Å
654M40.7Very low38.6Very low22 Ų22112.8 Ų112.811%0.10861%0.614CS.*Hα-helixtrans-73.4-37176.9-76.5-176.2179.900113.5R419 F597 I640 V650 I651 N652R419-M654 VanDerWaalsContact NH2-CE 3.33Å; R419-M654 PolarHBondContact NH2-SD 2.93Å; R419-M654 VanDerWaalsContact NH2-SD 3.44Å; F597-M654 HydrophobicContact CE1-CE 3.79Å; F597-M654 HydrophobicContact CE1-CG 3.9Å; F597-M654 HydrophobicContact CZ-CE 4.24Å; F597-M654 HydrophobicContact CZ-CG 4.4Å; I640-M654 HydrophobicContact CD1-CB 4.1Å; I640-M654 HydrophobicContact CG1-CB 4.21Å; I640-M654 HydrophobicContact CG1-SD 4.18Å; V650-M654 HydrophobicContact CG1-CE 3.81Å; V650-M654 HydrophobicContact CG1-SD 4.2Å; V650-M654 WeakPolarHBondContact O-CB 3.47Å; V650-M654 VanDerWaalsContact O-CG 3.3Å; V650-M654 WeakPolarHBondContact O-CG 3.42Å; V650-M654 PolarHBondContact O-N 2.69Å; I651-M654 PolarHBondContact O-N 2.81Å; N652-M654 VanDerWaalsContact C-N 3.34Å
655Q44.6Very low37.8Very low96 Ų96116.6 Ų116.645%0.44962%0.621SS.*Hα-helixtrans-69.7-38.7-177.9-76.2173.3-13.500112.6I651 I657 S658I651-Q655 HydrophobicContact CG2-CG 4.34Å; I651-Q655 WeakPolarHBondContact O-CB 3.32Å; I651-Q655 VanDerWaalsContact O-CG 3.32Å; I651-Q655 WeakPolarHBondContact O-CG 3.24Å; I651-Q655 PolarHBondContact O-N 3.49Å; Q655-I657 PolarHBondContact O-N 2.83Å; Q655-I657 VanDerWaalsContact O-N 3.11Å; Q655-S658 WeakPolarHBondContact O-CB 3.48Å; Q655-S658 PolarHBondContact O-N 2.85Å; Q655-S658 PolarHBondContact O-OG 2.88Å
656N43.1Very low37.1Very low130 Ų130115.4 Ų115.470%0.69562%0.62SS**G310 helixtrans-67-10.4-177.5-76-38.1000115.1N652 S658N652-N656 PolarHBondContact O-N 2.81Å; N652-N656 PolarHBondContact O-ND2 3.23Å; N656-S658 PolarHBondContact O-N 2.9Å
657I40.5Very low36.6Very low108 Ų108117.8 Ų117.855%0.55462%0.622SS**G310 helixtrans-80.7-6.9178.4-60167.6000111.4F597 E653 Q655F597-I657 HydrophobicContact CE1-CD1 4.2Å; E653-I657 WeakPolarHBondContact O-CD1 3.21Å; E653-I657 WeakPolarHBondContact O-CG1 3.48Å; Q655-I657 PolarHBondContact O-N 2.83Å; Q655-I657 VanDerWaalsContact O-N 3.11Å
658S35.3Very low35.8Very low93 Ų93118 Ų11865%0.6563%0.629SS**G310 helixtrans-90-2.2-171.5-39.40000115.3Q655 N656Q655-S658 WeakPolarHBondContact O-CB 3.48Å; Q655-S658 PolarHBondContact O-N 2.85Å; Q655-S658 PolarHBondContact O-OG 2.88Å; N656-S658 PolarHBondContact O-N 2.9Å
659S30.5Very low34.8Very low93 Ų93118.7 Ų118.765%0.6563%0.629SS**  trans-118115.9-168.6-64.90000112.1N661S659-N661 PolarHBondContact O-N 3.34Å
660P29.2Very low34Very low120 Ų120117 Ų11778%0.77963%0.628SS**  trans-83.4101.317432-30.1000109.7
661N28.6Very low33.1Very low149 Ų149119.6 Ų119.680%0.79765%0.648SS**  trans-163.8151.4163.6-102.7-35.4000114.3S659S659-N661 PolarHBondContact O-N 3.34Å
662H28.3Very low32.3Very low165 Ų165122.7 Ų122.776%0.76467%0.673SS**  trans76.199.6161.8-80.9-61.5000121.2
663V26.7Very low31.5Very low120 Ų120123.6 Ų123.673%0.72769%0.685SS**  144.3111104.6163.20000115
664S26.7Very low30.4Very low98 Ų98125.2 Ų125.269%0.68569%0.693SS**  trans34.712615069.70000123.7
665E25.2Very low29.9Very low178 Ų178132.7 Ų132.783%0.83273%0.732SS**  13.1147123.3-61.8177.6145.500121.5
666D26.8Very low28.9Very low149 Ų149136.7 Ų136.780%0.79775%0.751SS**  trans67.9112.6164.4-67.4-22.8000120.8
667I26.8Very low28.3Very low167 Ų167141.1 Ų141.186%0.85676%0.758SS**  -176.1131.7114.1-88.2150.9000109.5
668P28.3Very low27.8Very low102 Ų102142.4 Ų142.466%0.66277%0.766SS**  trans-98.8175.4-178.837.8-36000115.2
669F23.6Very low27.5Very low175 Ų175145.1 Ų145.177%0.76877%0.772SS**  trans92.6113.3153.6-93.4-68.6000122.6
670K25.1Very low27.2Very low168 Ų168150 Ų15073%0.7378%0.782SS**  103119.8120.2-123.5162.1-160.7168.30121.7
671S27.3Very low27.2Very low112 Ų112151.2 Ų151.278%0.78378%0.781SS**  trans63.8147.6143.358.80000119.4
672S27.4Very low27.2Very low105 Ų105150.1 Ų150.173%0.73477%0.773SS**  cis-156167-10.759.70000106.7
673C27.9Very low27Very low108 Ų108151.8 Ų151.873%0.7377%0.772SS**  -170.8153.153.453.10000114.1
674H26.6Very low27.2Very low172 Ų172155.3 Ų155.380%0.79678%0.778SS**  trans9.6121.4156-57.5-74.2000122.3
675L29.1Very low27.2Very low178 Ų178162 Ų16293%0.93279%0.788SS**  -163.2109103.1-105.1153.1000112.3
676Q25Very low27.5Very low181 Ų181159.1 Ų159.185%0.84679%0.785SS**  trans-131.5138.3166.8-94.7-170.7-6.300108
677R28.8Very low27.9Very low223 Ų223157.2 Ų157.284%0.84278%0.781SS**  177.3157.7121.6-103.7175175.9146.30.1114.5
678N31.2Very low28Very low135 Ų135156.7 Ų156.772%0.72278%0.78SS**  trans83.2130.5164.6-53.4-25.4000117.2
679L29.2Very low28.1Very low150 Ų150158.3 Ų158.379%0.78579%0.787SS**  cis-157.4145.7-7.3-114.3162.5000109.9
680K24.6Very low28.4Very low195 Ų195156.4 Ų156.485%0.84879%0.785SS**  trans-91.8179.7167.3-82-178.3174177.50110.5
681L28.6Very low28.7Very low145 Ų145153.9 Ų153.976%0.75978%0.779SS**  trans113.6144.7177.1-62.3163.8000110.9
682M28.3Very low28.8Very low127 Ų127154.9 Ų154.963%0.62678%0.776SS**  cis-156122.6-7.1-105.7-76.2-17000113.6
683R25.1Very low29Very low199 Ų199157.2 Ų157.275%0.75178%0.779SS**  trans46.4135.1132.8-75.3-171.6-178.2156.2-6.7124.8
684K30.7Very low28.9Very low195 Ų195158.1 Ų158.185%0.84878%0.775SS**  trans96.1126.1137-78.2176.4176.1-168.80122.2
685R25Very low29.1Very low237 Ų237159.6 Ų159.689%0.89477%0.774SS**  trans-75.1169.7158.7-115.3178.3-172.6178.61.8110.4
686P32.6Very low29Very low119 Ų119156.9 Ų156.977%0.77376%0.761SS**  -153.8-14568.348.6-24.9000114.6
687P34.6Very low29.2Very low109 Ų109159.8 Ų159.871%0.70877%0.766SS**  -134.1-174.5-125.536.8-11.5000118.1
688N29.1Very low29Very low156 Ų156157.7 Ų157.783%0.83477%0.765SS**  trans64.4134.8161.6-83.3-7.1000120.8
689V31.4Very low29.1Very low135 Ų135156.1 Ų156.182%0.81877%0.765SS**  171.6108.7111.6159.60000110.9
690N29.6Very low29.1Very low136 Ų136156.8 Ų156.873%0.72776%0.763SS**  trans30.5143.6135-97.48.7000125.8
691N31Very low29.4Very low114 Ų114154.5 Ų154.561%0.6176%0.76SS**  trans96.4104.2131.8-71.8-5.9000123.2
692N30.3Very low29.3Very low133 Ų133155.9 Ų155.971%0.71176%0.763SS**  75.8163.4115.7-59.4-14.2000122.4
693I29.7Very low29.3Very low154 Ų154153.6 Ų153.679%0.7977%0.772SS**  trans84.6129.2160.2-51.2-172.8000114.5
694L27.6Very low29.4Very low127 Ų127149.3 Ų149.367%0.66577%0.772SS**  cis-179.5165.1-24.7-119.5153.7000107.3
695R29.4Very low29.3Very low204 Ų204149 Ų14977%0.7777%0.771SS**  trans69.2153.3150.1-89.9150.9176.5-167.1-1.4119.7
696D27.2Very low29.3Very low121 Ų121143.8 Ų143.865%0.64777%0.766SS**  cis178.8145.3-32.7-95.1-8.8000103.5
697Y28.7Very low29Very low242 Ų242149 Ų14995%0.94977%0.77SS**  trans-169.3100.3147.3-103.7-63.8000110.6
698E26.1Very low28.5Very low179 Ų179152 Ų15284%0.83678%0.775SS**  trans-94149.1164.6-63.1179.3127.400110.5
699S32.2Very low28.2Very low102 Ų102151.7 Ų151.771%0.71377%0.772SS**  trans-177.1117.1141.146.90000108.9
700H30.3Very low27.9Very low163 Ų163151.3 Ų151.376%0.75577%0.766SS**  58.9130.599-69.1-79000113.5
701D30.6Very low27.6Very low147 Ų147153.9 Ų153.979%0.78677%0.77SS**  -157.1174.750.9-158.88.8000115.1
702Q26.2Very low27.4Very low175 Ų175153.6 Ų153.682%0.81878%0.777SS**  trans-90.2165.8-174.1-55175.6-3.100113.4
703G28.7Very low27.1Very low79 Ų79152.8 Ų152.881%0.81477%0.773SS**  trans-179.384.4171.600000116
704S25.6Very low27Very low108 Ų108151.1 Ų151.176%0.75577%0.766SS**  trans-80.7149.1174.864.20000113.3
705K29.9Very low26.8Very low189 Ų189147.6 Ų147.682%0.82274%0.743SS**  179.2109.1128.2-97.1157.5-172.8173.60115.4
706T23.9Very low26.6Very low128 Ų128146.6 Ų146.679%0.78575%0.745SS**  trans8.3126134.514.30000121.1
707R26.6Very low26.5Very low229 Ų229142.9 Ų142.986%0.86473%0.728SS**  -179.5112.1118.3-97.6169.3179.3-163.6-1.2109.7
708Q23.7Very low26.3Very low172 Ų172136.2 Ų136.280%0.80470%0.702SS**  50.2113.198.2-78-171-13.700115.7
709L24.5Very low26.3Very low148 Ų148133.4 Ų133.478%0.77569%0.686SS**  178.6132.4114.6-93.9154.3000113.3
710N24.7Very low25.9Very low127 Ų127135 Ų13568%0.67969%0.686SS**  trans54.5118.4150.5-62.6-13.7000120.7
711K23.4Very low25.7Very low191 Ų191132.1 Ų132.183%0.8368%0.676SS**  74.1100.865.2-76.9-172.4171.9-173.90115
712S26Very low25.5Very low107 Ų107132 Ų13275%0.74868%0.675SS**  trans163.5106.9135.657.40000108.3
713N24.5Very low25.3Very low117 Ų117129.2 Ų129.263%0.62667%0.671SS**  75.5135.679-80.347.4000114.6
714N26.2Very low25.2Very low119 Ų119129.8 Ų129.864%0.63667%0.668SS**  trans111.194.1152.9-58-21.7000117.5D912N714-D912 WeakPolarHBondContact CA-OD2 3.49Å; N714-D912 PolarHBondContact N-OD2 2.76Å
715R24.1Very low25Very low52 Ų52130.4 Ų130.420%0.19667%0.672CS.*  35.9137109.4-96.5175.4-150.3-137.3-9.9118.6W911 D912 D913 Y917R715-W911 HydrophobicContact CG-CG 4.48Å; R715-W911 PolarHBondContact NH2-O 2.76Å; R715-D912 WeakPolarHBondContact CD-OD1 3.2Å; R715-D912 WeakPolarHBondContact CG-OD1 3.37Å; R715-D912 IonicContact CZ-OD1 3.31Å; R715-D912 PolarHBondContact N-OD2 3.44Å; R715-D912 IonicContact NE-OD1 2.85Å; R715-D912 PolarHBondContact NE-OD1 2.94Å; R715-D913 VanDerWaalsContact CZ-CB 3.47Å; R715-D913 VanDerWaalsContact CZ-N 3.33Å; R715-D913 IonicContact CZ-OD1 3.59Å; R715-D913 IonicContact CZ-OD2 2.67Å; R715-D913 IonicContact NH1-OD1 3.85Å; R715-D913 PolarHBondContact NH1-OD1 2.74Å; R715-D913 IonicContact NH1-OD2 2.66Å; R715-D913 PolarHBondContact NH1-OD2 3.36Å; R715-D913 IonicContact NH2-OD1 3.71Å; R715-D913 PolarHBondContact NH2-OD1 2.91Å; R715-D913 IonicContact NH2-OD2 2.72Å; R715-Y917 PolarHBondContact NH1-OH 3.34Å
716F25.5Very low24.8Very low184 Ų184127.4 Ų127.481%0.80767%0.67SS**  -161.9112.8111.7-113.4-72.3000112.9
717S24.5Very low24.8Very low42 Ų42127.3 Ų127.329%0.29467%0.669SS.*  trans-69.6136.1164.429.50000110.7K719S717-K719 VanDerWaalsContact C-N 3.33Å; S717-K719 PolarHBondContact O-N 3.34Å; S717-K719 VanDerWaalsContact O-N 3.17Å
718R26.1Very low24.5Very low103 Ų103122 Ų12239%0.38967%0.667SS.*  trans-85.567.7172.6-67.2-172.4-162.815114.7112.9D99 I100 T880D99-R718 IonicContact OD1-CZ 2.64Å; D99-R718 IonicContact OD1-NH1 3.36Å; D99-R718 PolarHBondContact OD1-NH1 3.26Å; D99-R718 IonicContact OD1-NH2 3.83Å; D99-R718 PolarHBondContact OD1-NH2 3.32Å; D99-R718 IonicContact OD2-CZ 3.93Å; D99-R718 IonicContact OD2-NH2 2.69Å; D99-R718 PolarHBondContact OD2-NH2 2.75Å; I100-R718 PolarHBondContact O-NE 3.06Å; I100-R718 PolarHBondContact O-NH1 2.91Å; I100-R718 VanDerWaalsContact O-NH1 3.1Å; I100-R718 PolarHBondContact O-NH2 2.87Å; R718-T880 HydrophobicContact CB-CG2 3.99Å; R718-T880 VanDerWaalsContact O-CG2 3.25Å; R718-T880 WeakPolarHBondContact O-CG2 3.44Å
719K24.8Very low24.6Very low119 Ų119119.5 Ų119.552%0.51766%0.663SS.*  trans-88.7131.4163.3-138.4173.1-164.9122.60109.1S717 D878S717-K719 VanDerWaalsContact C-N 3.33Å; S717-K719 PolarHBondContact O-N 3.34Å; S717-K719 VanDerWaalsContact O-N 3.17Å; K719-D878 HydrophobicContact CD-CB 4.11Å; K719-D878 VanDerWaalsContact CD-OD2 3.23Å; K719-D878 WeakPolarHBondContact CD-OD2 3.45Å; K719-D878 VanDerWaalsContact CE-OD2 3.26Å; K719-D878 WeakPolarHBondContact CE-OD2 3.49Å; K719-D878 HydrophobicContact CG-CB 3.83Å; K719-D878 WeakPolarHBondContact CG-OD2 3.32Å; K719-D878 IonicContact NZ-OD2 3.15Å; K719-D878 PolarHBondContact NZ-OD2 3.41Å
720L25.2Very low24.5Very low135 Ų135119.6 Ų119.671%0.70766%0.664SS**  trans62.8128159.5-63.1147.1000118.3
721L25.1Very low24.6Very low104 Ų104122.5 Ų122.555%0.54567%0.671SS.*  172.2105.7102.8-91.7159.6000110.8K83K83-L721 HydrophobicContact CD-CB 4.25Å; K83-L721 PolarHBondContact NZ-O 2.85Å
722N25.6Very low24.6Very low144 Ų144121.1 Ų121.177%0.7767%0.673SS**  trans-14266.8140.8-105.24.7000109.5K83 A724K83-N722 PolarHBondContact NZ-OD1 3.43Å; N722-A724 PolarHBondContact O-N 2.96Å
723T22.6Very low24.6Very low117 Ų117122.6 Ų122.672%0.71868%0.677SS**  trans-80.996.5163.148.60000109
724A26.7Very low24.7Very low91 Ų91126.4 Ų126.475%0.75269%0.688SS**  trans-125.5119158.600000107.2N722N722-A724 PolarHBondContact O-N 2.96Å
725S21.8Very low24.5Very low120 Ų120130.2 Ų130.284%0.83970%0.699SS**  trans-86.3116.5-168.8500000112.6
726T25.3Very low24.6Very low127 Ų127135.5 Ų135.578%0.77973%0.73SS**  trans-146107.516135.60000111.6
727T23.4Very low24.5Very low126 Ų126135.2 Ų135.277%0.77373%0.728SS**  trans29116.414550.20000119.8
728S21.5Very low24.5Very low118 Ų118139.3 Ų139.383%0.82575%0.753SS**  trans-54.3130.9162.251.10000113.5
729V25.5Very low24.3Very low118 Ų118142.8 Ų142.872%0.71577%0.772SS**  trans-133.7115.2158.2-176.30000107.8F731V729-F731 HydrophobicContact CG1-CD2 4.39Å; V729-F731 HydrophobicContact CG1-CE2 4.1Å
730D22.7Very low24.4Very low151 Ų151144.7 Ų144.781%0.80779%0.786SS**  trans-66.9134179.1-72.1-61.4000111.9
731F26.4Very low24.5Very low187 Ų187146.2 Ų146.282%0.8279%0.79SS**  trans-126115.2159.9-92-81.2000112.4V729 V733V729-F731 HydrophobicContact CG1-CD2 4.39Å; V729-F731 HydrophobicContact CG1-CE2 4.1Å; F731-V733 PolarHBondContact O-N 3.47Å
732N23.1Very low24.4Very low163 Ų163147 Ų14787%0.87279%0.794SS**  trans-61.2117.5177.6-84.8-74.9000112
733V26.5Very low24.6Very low137 Ų137148.3 Ų148.383%0.8380%0.801SS**  trans-118.6122.2159.1-176.50000109.3F731 K735F731-V733 PolarHBondContact O-N 3.47Å; V733-K735 PolarHBondContact O-N 2.67Å
734K25.5Very low24.8Very low198 Ų198148.5 Ų148.586%0.86180%0.798SS**  trans-64.6126.6-172.6-72.3174.3174.4174.70111.5I736K734-I736 PolarHBondContact O-N 2.97Å
735K23.4Very low24.9Very low198 Ų198152.2 Ų152.286%0.86181%0.805SS**  trans-58.8123.5170-74.2176.7175.4174.80111V733V733-K735 PolarHBondContact O-N 2.67Å
736I26.1Very low25Very low164 Ų164154.9 Ų154.984%0.84180%0.804SS**  trans-106.9115.2157-62.5178.3000106.4K734K734-I736 PolarHBondContact O-N 2.97Å
737K22.6Very low25Very low177 Ų177156.5 Ų156.577%0.7781%0.807SS**PPolyproline II helixtrans-81.7139.3178.7-68.8-179.1174.8-176.70110.5
738P24.7Very low25Very low128 Ų128154.6 Ų154.683%0.83180%0.798SS**PPolyproline II helixtrans-73.9135.9147-7.525.7000109.3
739F22.8Very low25.1Very low176 Ų176154.8 Ų154.877%0.77280%0.8SS**PPolyproline II helixtrans-87.1136.8170-128.3-99.3000108.7
740I26.6Very low25.1Very low160 Ų160155 Ų15582%0.82180%0.801SS**  173.8149.2127.6-87.2155.4000108.3
741Q27Very low25.2Very low167 Ų167155.9 Ų155.978%0.7880%0.8SS**  trans-85.3149.5-155.7-66.7148.2-71.200114.2
742N23.9Very low25.2Very low120 Ų120154.4 Ų154.464%0.64280%0.795SS**  trans-57.2149.7154.9-69.821.2000110D744N742-D744 PolarHBondContact ND2-OD2 2.87Å
743N29.4Very low25.3Very low171 Ų171151 Ų15191%0.91478%0.784SS**  -137.9111.3127.4-105.3-8.4000107.2
744D25.5Very low25.2Very low122 Ų122151.8 Ų151.865%0.65278%0.784SS**  trans-67.3140.7170.5-55.9-79.4000109.2N742N742-D744 PolarHBondContact ND2-OD2 2.87Å
745N30.1Very low25.3Very low169 Ų169145.8 Ų145.890%0.90476%0.761SS**  trans-156.5136.2150.1-97.8-29.4000109.1
746E24.4Very low25.4Very low175 Ų175140.1 Ų140.182%0.81874%0.739SS**  trans-62.9159.9175.5-54.7168.3132.600110.9
747I24.5Very low25.7Very low162 Ų162138.9 Ų138.983%0.83173%0.734SS**  trans170.9127.8131.9-88.3155.1000112
748S24Very low25.9Very low86 Ų86137.9 Ų137.960%0.60174%0.736SS**  trans28.5134.7157.770.30000123.3V750S748-V750 PolarHBondContact O-N 2.93Å
749S23.7Very low25.8Very low122 Ų122136.7 Ų136.785%0.85373%0.728SS**  trans-44.5119.6148.151.30000114.2
750V24.6Very low25.9Very low122 Ų122133.3 Ų133.374%0.73972%0.722SS**  trans-140.4144.1167-172.90000111.1S748S748-V750 PolarHBondContact O-N 2.93Å
751H24.5Very low25.8Very low169 Ų169134.3 Ų134.378%0.78272%0.723SS**  trans-49.6157.5-169.1-73.6-95.7000119.9S753H751-S753 PolarHBondContact O-N 3.31Å
752H26.2Very low25.7Very low156 Ų156133 Ų13372%0.72273%0.726SS**SBendtrans-63.1104.8162.4-60.8-95.3000113.1N835H752-N835 PolarHBondContact CE1-ND2 3.45Å
753S24.8Very low25.8Very low91 Ų91131 Ų13164%0.63673%0.734SS**  trans-168.221.5161.952.10000120H751H751-S753 PolarHBondContact O-N 3.31Å
754D25.9Very low25.6Very low155 Ų155126.3 Ų126.383%0.82973%0.726SS**  trans-119.840-171.2-74.8-54.5000116.9
755N26.6Very low25.6Very low72 Ų72130 Ų13039%0.38574%0.736SS.*  trans-129.123.1179.4-113.6-28.1000113.6N793 R818N755-N793 PolarHBondContact ND2-ND2 3.01Å; N755-N793 PolarHBondContact OD1-ND2 3.26Å; N755-N793 PolarHBondContact OD1-OD1 3.18Å; N755-R818 PolarHBondContact O-NE 2.8Å; N755-R818 PolarHBondContact O-NH2 3.35Å; N755-R818 PolarHBondContact OD1-NH2 3.18Å
756I25.3Very low25.4Very low79 Ų79131.4 Ų131.441%0.40574%0.735SS.*SBendtrans-109.9106.9172.1-59.6173.8000107.8Y509 P817Y509-I756 HydrophobicContact CD2-CD1 4.38Å; Y509-I756 HydrophobicContact CE2-CD1 3.85Å; I756-P817 HydrophobicContact CD1-CG 3.84Å; I756-P817 HydrophobicContact CG1-CG 3.95Å
757N32Very low25.6Very low137 Ų137128.7 Ų128.773%0.73373%0.73SS**SBendtrans63.4138.2-169.2-48-51.7000113.2P759N757-P759 VanDerWaalsContact O-CD 3.28Å; N757-P759 WeakPolarHBondContact O-CD 3.47Å
758I26.5Very low25.8Very low157 Ų157127.1 Ų127.181%0.80573%0.734SS**  trans-70.6116.4152.3-68.4167.5000104.4V760I758-V760 PolarHBondContact O-N 2.85Å
759P22.7Very low26.7Very low103 Ų103127.2 Ų127.267%0.66974%0.735SS**  trans-60.9130.9161-10.327000105.8N757 E761N757-P759 VanDerWaalsContact O-CD 3.28Å; N757-P759 WeakPolarHBondContact O-CD 3.47Å; P759-E761 PolarHBondContact O-N 2.84Å
760V25.7Very low28.2Very low104 Ų104128.5 Ų128.563%0.6373%0.731SS**  trans-65.995.5168.8176.60000106.2I758 T762I758-V760 PolarHBondContact O-N 2.85Å; V760-T762 VanDerWaalsContact C-N 3.31Å; V760-T762 HydrophobicContact CG1-CG2 4.3Å; V760-T762 PolarHBondContact O-N 2.89Å
761E24.6Very low29.9Very low182 Ų182124 Ų12485%0.8570%0.704SS**  trans-64.297.3170.5-79.2-166.2153.300108.1P759 G763P759-E761 PolarHBondContact O-N 2.84Å; E761-G763 VanDerWaalsContact C-N 3.25Å; E761-G763 PolarHBondContact O-N 2.85Å
762T25.6Very low32.3Very low139 Ų139118.9 Ų118.985%0.85369%0.687SS**SBendtrans-70.379.7175.448.70000109.8V760V760-T762 VanDerWaalsContact C-N 3.31Å; V760-T762 HydrophobicContact CG1-CG2 4.3Å; V760-T762 PolarHBondContact O-N 2.89Å
763G25Very low35.2Very low77 Ų77114.4 Ų114.479%0.79467%0.671SS**  trans152.370.3172.400000116E761E761-G763 VanDerWaalsContact C-N 3.25Å; E761-G763 PolarHBondContact O-N 2.85Å
764G24.9Very low38.4Very low73 Ų73110 Ų11075%0.75364%0.641SS**  trans-157.4104.7176.400000113.1F766G764-F766 PolarHBondContact O-N 2.66Å
765K25.9Very low41.6Very low199 Ų199107.1 Ų107.187%0.86562%0.621SS**  trans-22.5120.4179-69170.1177.5171.50115.5T767K765-T767 PolarHBondContact O-N 3.23Å
766F26Very low44.8Very low199 Ų199104.3 Ų104.387%0.87361%0.606SS**  trans-49.4110.4169.4-84-94.3000111.4G764G764-F766 PolarHBondContact O-N 2.66Å
767T27.6Very low47.9Very low119 Ų119100.5 Ų100.573%0.7359%0.587SS**  trans-104.5129.6163.652.80000108.5K765 S769K765-T767 PolarHBondContact O-N 3.23Å; T767-S769 PolarHBondContact O-N 2.86Å
768S30Very low50.7Low129 Ų12998.9 Ų98.990%0.90258%0.575SS**  trans-70.392.1-172.154.50000111.5
769S43.4Very low53.5Low88 Ų8891.6 Ų91.662%0.61554%0.537SS*.PPolyproline II helixtrans-100.8137.9173.144.80000110.9Y642 T767Y642-S769 PolarHBondContact OH-O 3.41Å; T767-S769 PolarHBondContact O-N 2.86Å
770L53.6Low56.3Low149 Ų14987.5 Ų87.578%0.7851%0.511SS*.PPolyproline II helixtrans-59.7151.6175.6-94.582.1000110.6Y642 S772Y642-L770 WeakPolarHBondContact OH-CA 3.25Å; L770-S772 PolarHBondContact O-N 3.27Å
771P60.1Low58.8Low28 Ų2882.9 Ų82.918%0.18248%0.484CS..PPolyproline II helixtrans-69.5129.9179.829.9-20.9000107.1Y642 T773 F784Y642-P771 HydrophobicContact CD1-CG 4.38Å; Y642-P771 HydrophobicContact CD2-CB 4.24Å; Y642-P771 HydrophobicContact CD2-CG 4.01Å; Y642-P771 HydrophobicContact CE1-CG 4.02Å; Y642-P771 HydrophobicContact CE2-CB 3.78Å; Y642-P771 HydrophobicContact CE2-CG 3.64Å; Y642-P771 HydrophobicContact CG-CG 4.43Å; Y642-P771 WeakPolarHBondContact OH-CD 3.47Å; P771-T773 PolarHBondContact O-N 2.06Å; P771-F784 HydrophobicContact CB-CD1 4.06Å; P771-F784 HydrophobicContact CB-CE1 3.9Å; P771-F784 HydrophobicContact CG-CE1 4.11Å
772S75Confident61.3Low60 Ų6074.7 Ų74.742%0.4245%0.445SS..PPolyproline II helixtrans-60.8129.6-174.252.60000111L770 L787 Q798L770-S772 PolarHBondContact O-N 3.27Å; S772-L787 VanDerWaalsContact O-CD1 3.24Å; S772-L787 WeakPolarHBondContact O-CD1 3.44Å; S772-Q798 PolarHBondContact OG-OE1 2.95Å
773T88.3Confident63.3Low62 Ų6268.8 Ų68.838%0.3841%0.412SS..BIsolated β-bridgetrans-97.3149179.757.90000110.8P771 F775 Q778 L787P771-T773 PolarHBondContact O-N 2.06Å; T773-F775 PolarHBondContact O-N 3.09Å; T773-Q778 WeakPolarHBondContact CB-O 3.09Å; T773-Q778 WeakPolarHBondContact CG2-O 3.4Å; T773-L787 VanDerWaalsContact C-CD1 3.4Å
774C92.5Very high65.4Low0 Ų066.3 Ų66.30%038%0.379CS..BIsolated β-bridgetrans-68.3121174.2170.90000109.5V776 C777 Q778 L779 L787 Q798 H800C774-V776 PolarHBondContact O-N 2.98Å; C774-C777 PolarHBondContact O-N 3.29Å; C774-C777 VanDerWaalsContact O-N 3.16Å; C774-Q778 WeakPolarHBondContact O-CA 3.23Å; C774-Q778 PolarHBondContact O-N 3.09Å; C774-L779 PolarHBondContact N-O 2.97Å; C774-L787 HydrophobicContact CB-CD1 4.23Å; C774-L787 HydrophobicContact CB-CD2 4.22Å; C774-Q798 WeakPolarHBondContact CA-O 3.47Å; C774-H800 WeakPolarHBondContact CB-ND1 3.26Å; C774-H800 PolarHBondContact SG-N 2.95Å
775F93.2Very high68Low93 Ų9363.5 Ų63.541%0.40835%0.347SS..THydrogen-bonded Turntrans-52.5-31.4-179.7-179.4-99.5000113.9T773 Q778 T797 Q798 F799T773-F775 PolarHBondContact O-N 3.09Å; F775-Q778 PolarHBondContact O-NE2 2.91Å; F775-T797 HydrophobicContact CB-CG2 3.57Å; F775-T797 HydrophobicContact CD1-CG2 4.24Å; F775-T797 HydrophobicContact CD2-CG2 3.68Å; F775-T797 HydrophobicContact CE2-CG2 4.43Å; F775-T797 HydrophobicContact CG-CG2 3.56Å; F775-Q798 PolarHBondContact N-O 2.76Å; F775-F799 HydrophobicContact CB-CD1 4.27Å; F775-F799 HydrophobicContact CB-CE1 3.89Å; F775-F799 HydrophobicContact CB-CZ 4.37Å; F775-F799 AromaticContact CD1-CE1 3.86Å; F775-F799 HydrophobicContact CD1-CE1 3.86Å; F775-F799 HydrophobicContact CD1-CZ 4.34Å; F775-F799 HydrophobicContact CG-CE1 4.26Å
776V92.4Very high70.8Confident13 Ų1356 Ų568%0.07932%0.318CS..THydrogen-bonded Turntrans-75.4-57.2176.8172.90000111.7K429 P431 C774 F799 C803 A807 I809K429-V776 WeakPolarHBondContact CB-O 3.24Å; K429-V776 WeakPolarHBondContact CG-O 3.06Å; P431-V776 HydrophobicContact CB-CG1 3.95Å; P431-V776 HydrophobicContact CG-CG1 3.95Å; C774-V776 PolarHBondContact O-N 2.98Å; V776-F799 HydrophobicContact CG2-CD1 3.98Å; V776-F799 HydrophobicContact CG2-CE1 4.25Å; V776-C803 HydrophobicContact CB-CB 3.98Å; V776-C803 HydrophobicContact CG1-CB 3.94Å; V776-A807 HydrophobicContact CB-CB 4.32Å; V776-A807 HydrophobicContact CG1-CB 3.65Å; V776-A807 HydrophobicContact CG2-CB 3.64Å; V776-I809 HydrophobicContact CG2-CG1 4.08Å
777C91.8Very high73.9Confident0 Ų046.6 Ų46.60%028%0.278CS..THydrogen-bonded Turntrans-104.6-2.8-166.970.30000116K429 W444 C774 L779 H800K429-C777 PolarHBondContact N-O 2.81Å; K429-C777 VanDerWaalsContact N-O 3.1Å; K429-C777 WeakPolarHBondContact O-CA 3.1Å; K429-C777 WeakPolarHBondContact O-CB 3.37Å; W444-C777 HydrophobicContact CH2-CB 3.62Å; W444-C777 HydrophobicContact CZ2-CB 4.19Å; C774-C777 PolarHBondContact O-N 3.29Å; C774-C777 VanDerWaalsContact O-N 3.16Å; C777-L779 PolarHBondContact O-N 2.75Å; C777-H800 PolarHBondContact SG-ND1 2.84Å
778Q89.7Confident76.9Confident102 Ų10241 Ų4148%0.47724%0.243SC..  trans60.9-1.5179.2-56-59.5-37.300116T773 C774 F775T773-Q778 WeakPolarHBondContact CB-O 3.09Å; T773-Q778 WeakPolarHBondContact CG2-O 3.4Å; C774-Q778 WeakPolarHBondContact O-CA 3.23Å; C774-Q778 PolarHBondContact O-N 3.09Å; F775-Q778 PolarHBondContact O-NE2 2.91Å
779L85Confident79.8Confident4 Ų437.3 Ų37.32%0.02122%0.217CC..PPolyproline II helixtrans-77.2147.2168.4-65.7172.6000111.3Q424 F425 A428 W444 Y581 C774 C777Q424-L779 HydrophobicContact CB-CD2 4.41Å; Q424-L779 WeakPolarHBondContact O-CD2 3.49Å; F425-L779 HydrophobicContact CD1-CD1 3.66Å; F425-L779 HydrophobicContact CE1-CD1 3.54Å; A428-L779 HydrophobicContact CB-CD1 3.68Å; A428-L779 HydrophobicContact CB-CD2 4Å; A428-L779 HydrophobicContact CB-CG 3.67Å; W444-L779 HydrophobicContact CZ2-CD1 3.97Å; Y581-L779 HydrophobicContact CD2-CB 4.47Å; Y581-L779 HydrophobicContact CD2-CD1 3.63Å; Y581-L779 HydrophobicContact CE2-CB 3.68Å; Y581-L779 HydrophobicContact CE2-CD1 3.5Å; Y581-L779 HydrophobicContact CE2-CG 4.26Å; Y581-L779 HydrophobicContact CG-CD1 4.41Å; C774-L779 PolarHBondContact N-O 2.97Å; C777-L779 PolarHBondContact O-N 2.75Å
780P81.4Confident81.8Confident18 Ų1833.4 Ų33.412%0.11719%0.19CC..BIsolated β-bridgetrans-64.2166.3168.731.1-36.6000111.2Y581 R782 H800Y581-P780 PolarHBondContact OH-O 2.81Å; P780-R782 PolarHBondContact O-N 2.91Å; P780-H800 PolarHBondContact O-CE1 3.34Å; P780-H800 VanDerWaalsContact O-CE1 3.29Å; P780-H800 PolarHBondContact O-NE2 2.81Å
781G78.4Confident83.2Confident6 Ų629.3 Ų29.36%0.06216%0.164CC..PPolyproline II helixtrans-48.7134.1166.800000111.9G783 F784 L785G781-G783 PolarHBondContact O-N 2.88Å; G781-F784 WeakPolarHBondContact O-CA 3.43Å; G781-F784 PolarHBondContact O-N 2.72Å; G781-L785 VanDerWaalsContact CA-O 3.31Å; G781-L785 WeakPolarHBondContact CA-O 3.35Å
782R76.6Confident84.2Confident11 Ų1133.6 Ų33.64%0.04218%0.178CC..G310 helixtrans-63.3127.1-175.4-178.6171.6-169.9-162.7-8.1110.6D417 T576 C577 V578 C580 Y581 P780 F784 L785D417-R782 HydrophobicContact CB-CG 4.1Å; D417-R782 WeakPolarHBondContact O-CG 3.49Å; D417-R782 PolarHBondContact O-NE 3.21Å; T576-R782 PolarHBondContact OG1-NH1 3.16Å; T576-R782 PolarHBondContact OG1-NH2 3.19Å; T576-R782 VanDerWaalsContact OG1-NH2 3.14Å; C577-R782 WeakPolarHBondContact O-CD 3.23Å; C577-R782 PolarHBondContact O-NH1 3.44Å; V578-R782 WeakPolarHBondContact O-CB 3.46Å; V578-R782 WeakPolarHBondContact O-CG 3.48Å; C580-R782 WeakPolarHBondContact O-CD 3.18Å; C580-R782 PolarHBondContact O-NH1 3.39Å; Y581-R782 HydrophobicContact CD1-CB 4.48Å; Y581-R782 HydrophobicContact CD1-CG 4.37Å; Y581-R782 HydrophobicContact CE1-CB 3.55Å; Y581-R782 HydrophobicContact CE1-CG 3.55Å; Y581-R782 VanDerWaalsContact OH-CA 3.22Å; Y581-R782 WeakPolarHBondContact OH-CA 3.35Å; Y581-R782 WeakPolarHBondContact OH-CB 3.43Å; Y581-R782 PolarHBondContact OH-N 3.43Å; P780-R782 PolarHBondContact O-N 2.91Å; R782-F784 PolarHBondContact O-N 2.87Å; R782-L785 VanDerWaalsContact O-CB 3.29Å; R782-L785 WeakPolarHBondContact O-CB 3.48Å; R782-L785 WeakPolarHBondContact O-CG 3Å; R782-L785 PolarHBondContact O-N 3.12Å
783G68.1Low83.9Confident15 Ų1535.6 Ų35.616%0.15518%0.184CC..G310 helixtrans61.619.6-171.300000114.7G781 L785G781-G783 PolarHBondContact O-N 2.88Å; G783-L785 PolarHBondContact O-N 3.03Å
784F70Confident83.4Confident24 Ų2436.8 Ų36.811%0.10521%0.208CC..G310 helixtrans61.517-167.8-60-93.9000115R419 A635 L638 A639 Y642 P771 G781 R782R419-F784 HydrophobicContact CB-CD2 4.16Å; R419-F784 HydrophobicContact CB-CE2 3.44Å; R419-F784 VanDerWaalsContact CB-CE2 3.44Å; R419-F784 HydrophobicContact CB-CZ 4.29Å; R419-F784 HydrophobicContact CG-CD2 4.08Å; R419-F784 HydrophobicContact CG-CE2 3.7Å; A635-F784 HydrophobicContact CB-CB 4.24Å; A635-F784 VanDerWaalsContact CB-O 3.32Å; A635-F784 WeakPolarHBondContact CB-O 3.43Å; L638-F784 HydrophobicContact CB-CB 4.31Å; L638-F784 HydrophobicContact CB-CD1 4.17Å; L638-F784 HydrophobicContact CB-CG 4.42Å; A639-F784 HydrophobicContact CB-CB 4.36Å; A639-F784 HydrophobicContact CB-CD2 3.22Å; A639-F784 HydrophobicContact CB-CE2 3.56Å; A639-F784 HydrophobicContact CB-CG 3.91Å; A639-F784 HydrophobicContact CB-CZ 4.49Å; Y642-F784 HydrophobicContact CD2-CD1 4.36Å; Y642-F784 AromaticContact CD2-CE1 3.55Å; Y642-F784 HydrophobicContact CD2-CE1 3.55Å; Y642-F784 HydrophobicContact CD2-CZ 4.05Å; Y642-F784 HydrophobicContact CE2-CE1 4.41Å; Y642-F784 HydrophobicContact CG-CE1 4.02Å; Y642-F784 HydrophobicContact CG-CZ 4.12Å; P771-F784 HydrophobicContact CB-CD1 4.06Å; P771-F784 HydrophobicContact CB-CE1 3.9Å; P771-F784 HydrophobicContact CG-CE1 4.11Å; G781-F784 WeakPolarHBondContact O-CA 3.43Å; G781-F784 PolarHBondContact O-N 2.72Å; R782-F784 PolarHBondContact O-N 2.87Å
785L79.6Confident82.9Confident14 Ų1437.6 Ų37.67%0.07321%0.214CC..PPolyproline II helixtrans-65.9149168.4-67171.9000110.6V578 F579 I627 T631 A635 G781 R782 G783V578-L785 HydrophobicContact CB-CD1 3.87Å; V578-L785 HydrophobicContact CG2-CD1 3.85Å; F579-L785 HydrophobicContact CD1-CB 4.08Å; F579-L785 HydrophobicContact CD1-CD1 4.07Å; F579-L785 HydrophobicContact CE1-CB 4.24Å; F579-L785 HydrophobicContact CE1-CD1 4.1Å; I627-L785 HydrophobicContact CD1-CD1 4.31Å; I627-L785 HydrophobicContact CD1-CD2 4.48Å; T631-L785 HydrophobicContact CG2-CD2 4.34Å; A635-L785 HydrophobicContact CB-CD2 4.19Å; G781-L785 VanDerWaalsContact CA-O 3.31Å; G781-L785 WeakPolarHBondContact CA-O 3.35Å; R782-L785 VanDerWaalsContact O-CB 3.29Å; R782-L785 WeakPolarHBondContact O-CB 3.48Å; R782-L785 WeakPolarHBondContact O-CG 3Å; R782-L785 PolarHBondContact O-N 3.12Å; G783-L785 PolarHBondContact O-N 3.03Å
786P85.2Confident82.6Confident41 Ų4138.6 Ų38.627%0.26623%0.232SC..PPolyproline II helixtrans-62.5146.5-17223.2-34000113.1T612 P613 T631T612-P786 HydrophobicContact CG2-CG 3.92Å; T612-P786 WeakPolarHBondContact CG2-O 3.39Å; P613-P786 WeakPolarHBondContact O-CG 3.38Å; T631-P786 HydrophobicContact CG2-CG 3.58Å
787L90.9Very high82.5Confident3 Ų338.7 Ų38.72%0.01623%0.233CC..PPolyproline II helixtrans-84.8153.5169-63175.7000110.1S772 T773 C774 S789 Q798 H800S772-L787 VanDerWaalsContact O-CD1 3.24Å; S772-L787 WeakPolarHBondContact O-CD1 3.44Å; T773-L787 VanDerWaalsContact C-CD1 3.4Å; C774-L787 HydrophobicContact CB-CD1 4.23Å; C774-L787 HydrophobicContact CB-CD2 4.22Å; L787-S789 PolarHBondContact O-N 2.92Å; L787-Q798 HydrophobicContact CB-CB 3.53Å; L787-Q798 HydrophobicContact CB-CG 4.46Å; L787-Q798 HydrophobicContact CD1-CB 3.93Å; L787-Q798 HydrophobicContact CG-CB 4.4Å; L787-H800 WeakPolarHBondContact CD2-CD2 3.46Å; L787-H800 VanDerWaalsContact CD2-NE2 3.35Å; L787-H800 WeakPolarHBondContact CD2-NE2 3.16Å
788A90.4Very high82.5Confident1 Ų140.4 Ų40.41%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-72.3119.7170.900000109.8I611 Q798 F799 V801 I822I611-A788 HydrophobicContact CG2-CB 3.66Å; A788-Q798 CarbonylContact O-C 3.55Å; A788-Q798 VanDerWaalsContact O-CA 3.31Å; A788-Q798 WeakPolarHBondContact O-CA 3.49Å; A788-F799 PolarHBondContact N-O 3.13Å; A788-F799 PolarHBondContact O-N 3.01Å; A788-V801 HydrophobicContact CB-CG2 3.75Å; A788-I822 HydrophobicContact CB-CD1 3.67Å
789S89.6Confident82.7Confident51 Ų5135.5 Ų35.536%0.35722%0.218SC..EExtended strand (participates in β ladder)trans-71.7155.9178.2-61.70000112.6L787 Q798L787-S789 PolarHBondContact O-N 2.92Å; S789-Q798 PolarHBondContact OG-NE2 3.01Å
790C87.1Confident83.1Confident7 Ų735.5 Ų35.55%0.04722%0.218CC..BIsolated β-bridgetrans-59.7144.4159.8-176.70000110.5Y792 C795 T797 I822 C824C790-Y792 VanDerWaalsContact C-N 3.3Å; C790-Y792 PolarHBondContact O-N 3.38Å; C790-C795 HydrophobicContact CB-CB 3.87Å; C790-C795 VanDerWaalsContact CB-SG 3.57Å; C790-T797 WeakPolarHBondContact CB-O 3.19Å; C790-T797 PolarHBondContact N-O 3.23Å; C790-I822 CarbonylContact C-O 3.53Å; C790-I822 VanDerWaalsContact CA-O 3.29Å; C790-I822 WeakPolarHBondContact CA-O 3.45Å; C790-C824 HydrophobicContact CB-CB 4.21Å; C790-C824 PolarHBondContact SG-N 3.22Å; C790-C824 VanDerWaalsContact SG-N 3.43Å; C790-C824 PolarHBondContact SG-SG 3Å
791W83.1Confident83.6Confident63 Ų6334.7 Ų34.724%0.23921%0.212CC..SBendtrans-60.9-34.3-175.875.6-87.6000114.5N793 Y821 I822 H827 T829W791-N793 PolarHBondContact O-N 3.33Å; W791-Y821 HydrophobicContact CB-CD2 4.26Å; W791-Y821 HydrophobicContact CB-CG 4.38Å; W791-Y821 HydrophobicContact CG-CD2 4.31Å; W791-I822 PolarHBondContact N-O 3.45Å; W791-H827 PolarHBondContact NE1-O 2.86Å; W791-T829 HydrophobicContact CD2-CG2 4.28Å; W791-T829 HydrophobicContact CZ2-CG2 4.2Å
792Y79.7Confident84.3Confident118 Ų11834.7 Ų34.746%0.46321%0.211SC..SBendtrans-70.7120-177.3-173.7-90.6000111.4C790 C795 H827C790-Y792 VanDerWaalsContact C-N 3.3Å; C790-Y792 PolarHBondContact O-N 3.38Å; Y792-C795 HydrophobicContact CD1-CB 4.31Å; Y792-C795 WeakPolarHBondContact O-CB 3.5Å; Y792-C795 PolarHBondContact O-N 3.47Å; Y792-H827 VanDerWaalsContact CB-CG 3.44Å; Y792-H827 AromaticContact CD1-CD2 3.65Å; Y792-H827 AromaticContact CD1-CE1 3.59Å; Y792-H827 AromaticContact CD1-CG 3.87Å; Y792-H827 AromaticContact CD1-ND1 3.85Å; Y792-H827 AromaticContact CD1-NE2 3.49Å; Y792-H827 WeakPolarHBondContact CD1-NE2 3.45Å; Y792-H827 AromaticContact CE1-NE2 3.79Å; Y792-H827 HydrophobicContact CG-CB 4.12Å; Y792-H827 AromaticContact CG-CD2 3.61Å; Y792-H827 AromaticContact CG-CG 3.59Å; Y792-H827 AromaticContact CG-ND1 3.92Å; Y792-H827 AromaticContact CG-NE2 3.97Å
793N70.1Confident85Confident102 Ų10234.2 Ų34.255%0.54521%0.209SC..THydrogen-bonded Turntrans-57.1138.3179.5-99.819.5000111.6N755 W791 C795N755-N793 PolarHBondContact ND2-ND2 3.01Å; N755-N793 PolarHBondContact OD1-ND2 3.26Å; N755-N793 PolarHBondContact OD1-OD1 3.18Å; W791-N793 PolarHBondContact O-N 3.33Å; N793-C795 PolarHBondContact O-N 2.95Å
794G77.3Confident86.2Confident86 Ų8633.5 Ų33.589%0.88720%0.202SC*.THydrogen-bonded Turntrans78-4.2-17400000114.9S796G794-S796 PolarHBondContact O-N 3.15Å
795C81.4Confident87.1Confident18 Ų1834 Ų3412%0.12221%0.205CC..  trans-74.1114.4171.9-172.80000111.6C790 Y792 N793 T797 C824 H827C790-C795 HydrophobicContact CB-CB 3.87Å; C790-C795 VanDerWaalsContact CB-SG 3.57Å; Y792-C795 HydrophobicContact CD1-CB 4.31Å; Y792-C795 WeakPolarHBondContact O-CB 3.5Å; Y792-C795 PolarHBondContact O-N 3.47Å; N793-C795 PolarHBondContact O-N 2.95Å; C795-T797 PolarHBondContact O-N 3.14Å; C795-T797 VanDerWaalsContact O-N 3.15Å; C795-T797 VanDerWaalsContact SG-CB 3.56Å; C795-T797 PolarHBondContact SG-N 3.39Å; C795-T797 PolarHBondContact SG-OG1 3.18Å; C795-T797 VanDerWaalsContact SG-OG1 3.33Å; C795-C824 VanDerWaalsContact SG-SG 3.69Å; C795-H827 VanDerWaalsContact CB-CE1 3.49Å; C795-H827 WeakPolarHBondContact CB-CE1 3.27Å; C795-H827 WeakPolarHBondContact CB-ND1 3.38Å; C795-H827 PolarHBondContact SG-CE1 3.45Å; C795-H827 PolarHBondContact SG-ND1 3.48Å
796S87.3Confident87.6Confident113 Ų11333.7 Ų33.779%0.7920%0.203SC*.  trans-71.51.1174.958.40000115.2G794G794-S796 PolarHBondContact O-N 3.15Å
797T89.4Confident87.7Confident16 Ų1632.9 Ų32.910%0.09820%0.2CC..  trans-83.2124-176.9-48.90000110.7F775 C790 C795 F799 C824F775-T797 HydrophobicContact CB-CG2 3.57Å; F775-T797 HydrophobicContact CD1-CG2 4.24Å; F775-T797 HydrophobicContact CD2-CG2 3.68Å; F775-T797 HydrophobicContact CE2-CG2 4.43Å; F775-T797 HydrophobicContact CG-CG2 3.56Å; C790-T797 WeakPolarHBondContact CB-O 3.19Å; C790-T797 PolarHBondContact N-O 3.23Å; C795-T797 PolarHBondContact O-N 3.14Å; C795-T797 VanDerWaalsContact O-N 3.15Å; C795-T797 VanDerWaalsContact SG-CB 3.56Å; C795-T797 PolarHBondContact SG-N 3.39Å; C795-T797 PolarHBondContact SG-OG1 3.18Å; C795-T797 VanDerWaalsContact SG-OG1 3.33Å; T797-F799 HydrophobicContact CG2-CE1 4.39Å; T797-F799 HydrophobicContact CG2-CE2 3.91Å; T797-F799 HydrophobicContact CG2-CZ 3.64Å; T797-C824 HydrophobicContact CG2-CB 3.67Å
798Q93Very high87.4Confident35 Ų3533.9 Ų33.916%0.16421%0.211CC..EExtended strand (participates in β ladder)trans-131.5162.8-179.9-49.8-168.8-56.500113S772 C774 F775 L787 A788 S789S772-Q798 PolarHBondContact OG-OE1 2.95Å; C774-Q798 WeakPolarHBondContact CA-O 3.47Å; F775-Q798 PolarHBondContact N-O 2.76Å; L787-Q798 HydrophobicContact CB-CB 3.53Å; L787-Q798 HydrophobicContact CB-CG 4.46Å; L787-Q798 HydrophobicContact CD1-CB 3.93Å; L787-Q798 HydrophobicContact CG-CB 4.4Å; A788-Q798 CarbonylContact O-C 3.55Å; A788-Q798 VanDerWaalsContact O-CA 3.31Å; A788-Q798 WeakPolarHBondContact O-CA 3.49Å; S789-Q798 PolarHBondContact OG-NE2 3.01Å
799F93.4Very high87.1Confident0 Ų035.2 Ų35.20%022%0.217CC..EExtended strand (participates in β ladder)trans-141.4143.7-168.6-55.1-89.9000112.9F775 V776 A788 T797 A804 I809 I822 C824F775-F799 HydrophobicContact CB-CD1 4.27Å; F775-F799 HydrophobicContact CB-CE1 3.89Å; F775-F799 HydrophobicContact CB-CZ 4.37Å; F775-F799 AromaticContact CD1-CE1 3.86Å; F775-F799 HydrophobicContact CD1-CE1 3.86Å; F775-F799 HydrophobicContact CD1-CZ 4.34Å; F775-F799 HydrophobicContact CG-CE1 4.26Å; V776-F799 HydrophobicContact CG2-CD1 3.98Å; V776-F799 HydrophobicContact CG2-CE1 4.25Å; A788-F799 PolarHBondContact N-O 3.13Å; A788-F799 PolarHBondContact O-N 3.01Å; T797-F799 HydrophobicContact CG2-CE1 4.39Å; T797-F799 HydrophobicContact CG2-CE2 3.91Å; T797-F799 HydrophobicContact CG2-CZ 3.64Å; F799-A804 HydrophobicContact CB-CB 3.95Å; F799-A804 HydrophobicContact CD1-CB 4.06Å; F799-A804 HydrophobicContact CG-CB 4.11Å; F799-I809 HydrophobicContact CD1-CG1 4.29Å; F799-I809 HydrophobicContact CD1-CG2 4.45Å; F799-I809 HydrophobicContact CE1-CB 4.48Å; F799-I809 HydrophobicContact CE1-CD1 4.08Å; F799-I809 HydrophobicContact CE1-CG1 3.85Å; F799-I809 HydrophobicContact CE1-CG2 3.94Å; F799-I809 HydrophobicContact CZ-CG2 3.99Å; F799-I822 HydrophobicContact CD2-CB 4.41Å; F799-I822 HydrophobicContact CD2-CG2 3.63Å; F799-I822 HydrophobicContact CE2-CG2 3.85Å; F799-I822 HydrophobicContact CG-CG2 4.14Å; F799-C824 HydrophobicContact CE2-CB 4.04Å; F799-C824 HydrophobicContact CZ-CB 3.68Å
800H93.2Very high86.6Confident3 Ų334.4 Ų34.41%0.01421%0.21CC..  trans-69.7128.8149.9-60.8111.4000107.3F579 C580 Y581 C774 C777 P780 L787 T802 C803 A804F579-H800 PolarHBondContact O-CD2 2.93Å; C580-H800 HydrophobicContact CB-CB 4.15Å; Y581-H800 AromaticContact CD2-CE1 3.94Å; Y581-H800 AromaticContact CE2-CE1 3.28Å; Y581-H800 WeakPolarHBondContact CE2-CE1 3.31Å; Y581-H800 AromaticContact CE2-ND1 3.94Å; Y581-H800 AromaticContact CE2-NE2 3.57Å; C774-H800 WeakPolarHBondContact CB-ND1 3.26Å; C774-H800 PolarHBondContact SG-N 2.95Å; C777-H800 PolarHBondContact SG-ND1 2.84Å; P780-H800 PolarHBondContact O-CE1 3.34Å; P780-H800 VanDerWaalsContact O-CE1 3.29Å; P780-H800 PolarHBondContact O-NE2 2.81Å; L787-H800 WeakPolarHBondContact CD2-CD2 3.46Å; L787-H800 VanDerWaalsContact CD2-NE2 3.35Å; L787-H800 WeakPolarHBondContact CD2-NE2 3.16Å; H800-T802 VanDerWaalsContact C-N 3.31Å; H800-T802 PolarHBondContact O-N 3.46Å; H800-C803 HydrophobicContact CB-CB 3.89Å; H800-C803 WeakPolarHBondContact O-CA 3.42Å; H800-C803 WeakPolarHBondContact O-CB 3.47Å; H800-C803 PolarHBondContact O-N 3.3Å; H800-A804 PolarHBondContact O-N 2.92Å
801V92.4Very high86.2Confident1 Ų134.8 Ų34.81%0.00621%0.212CC..Hα-helixtrans-54.1-44.3-172.7176.30000112.5F473 I611 A788 A804 Q805 I822F473-V801 HydrophobicContact CE2-CG1 3.38Å; F473-V801 HydrophobicContact CZ-CG1 3.51Å; I611-V801 HydrophobicContact CB-CG2 4.08Å; I611-V801 HydrophobicContact CG2-CG2 4.28Å; A788-V801 HydrophobicContact CB-CG2 3.75Å; V801-A804 WeakPolarHBondContact O-CB 3.3Å; V801-A804 PolarHBondContact O-N 3.46Å; V801-Q805 PolarHBondContact O-N 2.78Å; V801-Q805 VanDerWaalsContact O-N 3.13Å; V801-I822 HydrophobicContact CG2-CD1 4.43Å
802T92.2Very high85.6Confident7 Ų732.3 Ų32.34%0.04321%0.205CC..Hα-helixtrans-74.3-24.7176.959.20000113.6C580 M582 V607 H800 M806C580-T802 VanDerWaalsContact CB-OG1 3.25Å; C580-T802 WeakPolarHBondContact CB-OG1 3.43Å; C580-T802 PolarHBondContact SG-OG1 2.95Å; M582-T802 HydrophobicContact CB-CG2 4.41Å; M582-T802 VanDerWaalsContact CG-OG1 3.31Å; M582-T802 WeakPolarHBondContact CG-OG1 3.36Å; V607-T802 HydrophobicContact CG2-CG2 4.48Å; H800-T802 VanDerWaalsContact C-N 3.31Å; H800-T802 PolarHBondContact O-N 3.46Å; T802-M806 WeakPolarHBondContact O-CB 3.41Å; T802-M806 WeakPolarHBondContact O-CG 3.19Å; T802-M806 PolarHBondContact O-N 3.31Å
803C92.8Very high85.1Confident0 Ų029.7 Ų29.70%020%0.202CC..Hα-helixtrans-71.8-37.9172-66.30000111P431 V776 H800 A807P431-C803 HydrophobicContact CG-CB 4.07Å; V776-C803 HydrophobicContact CB-CB 3.98Å; V776-C803 HydrophobicContact CG1-CB 3.94Å; H800-C803 HydrophobicContact CB-CB 3.89Å; H800-C803 WeakPolarHBondContact O-CA 3.42Å; H800-C803 WeakPolarHBondContact O-CB 3.47Å; H800-C803 PolarHBondContact O-N 3.3Å; C803-A807 WeakPolarHBondContact O-CB 3.24Å; C803-A807 PolarHBondContact O-N 2.74Å
804A91.3Very high84.6Confident0 Ų027.2 Ų27.20%019%0.189CC..Hα-helixtrans-58.4-52.717100000110.6F799 H800 V801 M806 A807 G808 I809 I811 I822F799-A804 HydrophobicContact CB-CB 3.95Å; F799-A804 HydrophobicContact CD1-CB 4.06Å; F799-A804 HydrophobicContact CG-CB 4.11Å; H800-A804 PolarHBondContact O-N 2.92Å; V801-A804 WeakPolarHBondContact O-CB 3.3Å; V801-A804 PolarHBondContact O-N 3.46Å; A804-M806 PolarHBondContact O-N 2.8Å; A804-A807 PolarHBondContact O-N 2.8Å; A804-G808 PolarHBondContact O-N 3.49Å; A804-I809 HydrophobicContact CB-CB 3.85Å; A804-I809 HydrophobicContact CB-CG1 4.27Å; A804-I809 HydrophobicContact CB-CG2 4.16Å; A804-I809 WeakPolarHBondContact O-CB 3.38Å; A804-I809 PolarHBondContact O-N 2.83Å; A804-I811 HydrophobicContact CB-CD1 4.19Å; A804-I822 HydrophobicContact CB-CD1 4.22Å; A804-I822 HydrophobicContact CB-CG2 4.11Å
805Q89.3Confident83.4Confident34 Ų3427.2 Ų27.216%0.15917%0.171CC..Hα-helixtrans-55.7-50.9177.5-169.6-176.517.600112.3S472 V801 A807 G808 I811S472-Q805 PolarHBondContact O-NE2 3.43Å; V801-Q805 PolarHBondContact O-N 2.78Å; V801-Q805 VanDerWaalsContact O-N 3.13Å; Q805-A807 VanDerWaalsContact C-N 3.26Å; Q805-A807 PolarHBondContact O-N 3.28Å; Q805-G808 PolarHBondContact O-N 3.49Å; Q805-I811 HydrophobicContact CB-CD1 4.05Å
806M89.7Confident81.6Confident9 Ų930.9 Ų30.94%0.04418%0.183CC..Hα-helixtrans-78.4-3.3-178.1-64.6-58.4-6400114.4P431 F432 H433 I434 L440 F457 L484 M582 T802 A804P431-M806 HydrophobicContact CB-CB 3.74Å; P431-M806 HydrophobicContact CG-CB 4.49Å; F432-M806 PolarHBondContact N-O 2.87Å; H433-M806 HydrophobicContact CB-CE 4.29Å; H433-M806 WeakPolarHBondContact CB-O 3.39Å; H433-M806 PolarHBondContact CD2-O 2.82Å; H433-M806 PolarHBondContact N-O 2.65Å; I434-M806 HydrophobicContact CD1-CB 3.96Å; I434-M806 HydrophobicContact CD1-CE 4.3Å; I434-M806 HydrophobicContact CD1-CG 4.14Å; I434-M806 HydrophobicContact CG1-CB 4.13Å; I434-M806 HydrophobicContact CG1-CE 3.61Å; I434-M806 HydrophobicContact CG1-CG 4.39Å; L440-M806 HydrophobicContact CD1-CE 4.26Å; F457-M806 HydrophobicContact CE2-CE 4.47Å; L484-M806 HydrophobicContact CD1-CE 4.24Å; M582-M806 HydrophobicContact CE-CG 4.2Å; T802-M806 WeakPolarHBondContact O-CB 3.41Å; T802-M806 WeakPolarHBondContact O-CG 3.19Å; T802-M806 PolarHBondContact O-N 3.31Å; A804-M806 PolarHBondContact O-N 2.8Å
807A89Confident79.6Confident23 Ų2328.2 Ų28.219%0.1916%0.163CC..THydrogen-bonded Turntrans-104.21.2170.900000113.6P431 V776 C803 A804 Q805 I809P431-A807 HydrophobicContact CB-CB 4.34Å; V776-A807 HydrophobicContact CB-CB 4.32Å; V776-A807 HydrophobicContact CG1-CB 3.65Å; V776-A807 HydrophobicContact CG2-CB 3.64Å; C803-A807 WeakPolarHBondContact O-CB 3.24Å; C803-A807 PolarHBondContact O-N 2.74Å; A804-A807 PolarHBondContact O-N 2.8Å; Q805-A807 VanDerWaalsContact C-N 3.26Å; Q805-A807 PolarHBondContact O-N 3.28Å; A807-I809 VanDerWaalsContact C-N 3.33Å; A807-I809 HydrophobicContact CB-CG1 4.23Å
808G83.4Confident78Confident24 Ų2432.1 Ų32.125%0.24718%0.176CC..THydrogen-bonded Turntrans7127-176.700000113.6P477 A804 Q805P477-G808 VanDerWaalsContact CB-O 3.26Å; P477-G808 WeakPolarHBondContact CB-O 3.23Å; P477-G808 VanDerWaalsContact CG-O 3.25Å; P477-G808 WeakPolarHBondContact CG-O 3.23Å; A804-G808 PolarHBondContact O-N 3.49Å; Q805-G808 PolarHBondContact O-N 3.49Å
809I84.8Confident76.7Confident29 Ų2932 Ų3215%0.14918%0.175CC..  trans-73.9139.9170.3-57.4-61.8000108.4V776 F799 A804 A807 I811 I822 A823V776-I809 HydrophobicContact CG2-CG1 4.08Å; F799-I809 HydrophobicContact CD1-CG1 4.29Å; F799-I809 HydrophobicContact CD1-CG2 4.45Å; F799-I809 HydrophobicContact CE1-CB 4.48Å; F799-I809 HydrophobicContact CE1-CD1 4.08Å; F799-I809 HydrophobicContact CE1-CG1 3.85Å; F799-I809 HydrophobicContact CE1-CG2 3.94Å; F799-I809 HydrophobicContact CZ-CG2 3.99Å; A804-I809 HydrophobicContact CB-CB 3.85Å; A804-I809 HydrophobicContact CB-CG1 4.27Å; A804-I809 HydrophobicContact CB-CG2 4.16Å; A804-I809 WeakPolarHBondContact O-CB 3.38Å; A804-I809 PolarHBondContact O-N 2.83Å; A807-I809 VanDerWaalsContact C-N 3.33Å; A807-I809 HydrophobicContact CB-CG1 4.23Å; I809-I811 PolarHBondContact O-N 3.08Å; I809-I822 HydrophobicContact CG2-CG2 3.64Å; I809-A823 VanDerWaalsContact CG2-O 3.26Å; I809-A823 WeakPolarHBondContact CG2-O 3.41Å
810V78.5Confident75.9Confident34 Ų3433 Ų3321%0.20618%0.18CC..EExtended strand (participates in β ladder)trans-66.4124.3179.7172.80000109.7P477 Y821 A823P477-V810 HydrophobicContact CG-CG2 4.05Å; V810-Y821 HydrophobicContact CG1-CE2 4.24Å; V810-A823 HydrophobicContact CB-CB 4.1Å; V810-A823 HydrophobicContact CG1-CB 4.24Å; V810-A823 PolarHBondContact O-N 3.4Å
811I80Confident75.3Confident16 Ų1634 Ų348%0.08218%0.183CC..EExtended strand (participates in β ladder)trans-121.5123.6169.6-57.9176.4000105.3F473 I611 A804 Q805 I809 Y821 I822F473-I811 HydrophobicContact CD1-CG2 4.35Å; F473-I811 HydrophobicContact CD2-CD1 4.4Å; F473-I811 HydrophobicContact CE1-CG2 3.62Å; F473-I811 HydrophobicContact CE2-CD1 3.57Å; F473-I811 HydrophobicContact CE2-CG2 4.19Å; F473-I811 HydrophobicContact CZ-CD1 3.84Å; F473-I811 HydrophobicContact CZ-CG2 3.52Å; I611-I811 HydrophobicContact CD1-CG2 4.22Å; A804-I811 HydrophobicContact CB-CD1 4.19Å; Q805-I811 HydrophobicContact CB-CD1 4.05Å; I809-I811 PolarHBondContact O-N 3.08Å; I811-Y821 WeakPolarHBondContact CA-O 3.42Å; I811-I822 HydrophobicContact CG1-CG1 4.24Å; I811-I822 HydrophobicContact CG1-CG2 4.48Å
812G69Low74.9Confident10 Ų1034 Ų3410%0.10318%0.183CC..EExtended strand (participates in β ladder)trans-132.2176.8-178.200000112.2F820 Y821G812-F820 VanDerWaalsContact O-CA 3.25Å; G812-F820 WeakPolarHBondContact O-CA 3.36Å; G812-Y821 VanDerWaalsContact CA-CE1 3.44Å; G812-Y821 PolarHBondContact N-O 3.07Å; G812-Y821 VanDerWaalsContact N-O 3.09Å; G812-Y821 WeakPolarHBondContact O-CD1 3.24Å; G812-Y821 PolarHBondContact O-N 3.25Å
813T69.3Low74.4Confident63 Ų6334 Ų3439%0.38718%0.183SC..EExtended strand (participates in β ladder)trans-98.6141.9175.5520000111.5L474 F819 F820 Y821L474-T813 HydrophobicContact CD1-CG2 4.17Å; L474-T813 HydrophobicContact CD2-CG2 3.65Å; T813-F819 CarbonylContact C-O 3.55Å; T813-F819 WeakPolarHBondContact CA-O 3.41Å; T813-F820 HydrophobicContact CG2-CD1 4.16Å; T813-F820 HydrophobicContact CG2-CE1 4.19Å; T813-Y821 WeakPolarHBondContact O-CE1 3.41Å
814D59.3Low74.1Confident51 Ų5134 Ų3427%0.27318%0.184SC..  trans-127.3176.5176.1178.224.2000108.8R818 F819 Y821D814-R818 CarbonylContact C-O 3.6Å; D814-R818 WeakPolarHBondContact CA-O 3.39Å; D814-R818 WeakPolarHBondContact CB-O 3.31Å; D814-R818 WeakPolarHBondContact OD2-CB 3.36Å; D814-F819 PolarHBondContact N-O 3.04Å; D814-Y821 HydrophobicContact CB-CD1 3.97Å
815V53.4Low73.5Confident85 Ų8538 Ų3852%0.51521%0.212SC..  trans-89149.8-172.4174.10000112.1R818 F836V815-R818 CarbonylContact C-O 3.59Å; V815-R818 PolarHBondContact N-O 2.87Å; V815-R818 CarbonylContact O-C 3.55Å; V815-R818 WeakPolarHBondContact O-CA 3.34Å; V815-R818 PolarHBondContact O-N 2.84Å; V815-R818 VanDerWaalsContact O-O 3.04Å; V815-F836 HydrophobicContact CB-CZ 3.88Å; V815-F836 HydrophobicContact CG2-CE1 3.74Å; V815-F836 HydrophobicContact CG2-CZ 3.44Å; V815-F836 VanDerWaalsContact CG2-CZ 3.44Å
816Y43.1Very low73Confident95 Ų9544.1 Ų44.137%0.37324%0.238SC..THydrogen-bonded Turntrans-44.5128.4173.8-175.8-84.3000111.4V504 Y509 F819V504-Y816 HydrophobicContact CG2-CD2 3.69Å; V504-Y816 HydrophobicContact CG2-CE2 4.1Å; Y509-Y816 WeakPolarHBondContact CA-OH 3.48Å; Y509-Y816 HydrophobicContact CD2-CE1 4.12Å; Y509-Y816 HydrophobicContact CE2-CE1 4.21Å; Y816-F819 AromaticContact CD2-CE2 3.49Å; Y816-F819 HydrophobicContact CD2-CE2 3.49Å; Y816-F819 VanDerWaalsContact CD2-CE2 3.49Å; Y816-F819 AromaticContact CD2-CZ 3.66Å; Y816-F819 HydrophobicContact CD2-CZ 3.66Å; Y816-F819 HydrophobicContact CE2-CE2 4.33Å; Y816-F819 HydrophobicContact CG-CE2 4.22Å; Y816-F819 HydrophobicContact CG-CZ 4.17Å
817P44.6Very low72.2Confident57 Ų5745.7 Ų45.737%0.3725%0.245SC..THydrogen-bonded Turncis-90.3-3.810.434.5-35.7000115.8Y509 I756 F819Y509-P817 HydrophobicContact CD2-CB 4.01Å; Y509-P817 HydrophobicContact CD2-CG 4.33Å; Y509-P817 HydrophobicContact CE2-CG 4.46Å; I756-P817 HydrophobicContact CD1-CG 3.84Å; I756-P817 HydrophobicContact CG1-CG 3.95Å; P817-F819 PolarHBondContact O-N 2.8Å
818R55.5Low71Confident98 Ų9845.2 Ų45.237%0.3724%0.24SC..  trans-95.591.7-179.3-71.4-175173.8-160.4-3.4110.4N755 D814 V815 F820N755-R818 PolarHBondContact O-NE 2.8Å; N755-R818 PolarHBondContact O-NH2 3.35Å; N755-R818 PolarHBondContact OD1-NH2 3.18Å; D814-R818 CarbonylContact C-O 3.6Å; D814-R818 WeakPolarHBondContact CA-O 3.39Å; D814-R818 WeakPolarHBondContact CB-O 3.31Å; D814-R818 WeakPolarHBondContact OD2-CB 3.36Å; V815-R818 CarbonylContact C-O 3.59Å; V815-R818 PolarHBondContact N-O 2.87Å; V815-R818 CarbonylContact O-C 3.55Å; V815-R818 WeakPolarHBondContact O-CA 3.34Å; V815-R818 PolarHBondContact O-N 2.84Å; V815-R818 VanDerWaalsContact O-O 3.04Å; R818-F820 PolarHBondContact O-N 2.88Å
819F66.2Low69.6Low32 Ų3245.4 Ų45.414%0.1424%0.236CC..  trans-75.1-20.1-177.2-81-74.3000116.5V504 A505 T813 D814 Y816 P817V504-F819 HydrophobicContact CB-CE1 4.45Å; V504-F819 HydrophobicContact CB-CE2 4.29Å; V504-F819 HydrophobicContact CB-CZ 3.8Å; V504-F819 HydrophobicContact CG1-CD1 4.43Å; V504-F819 HydrophobicContact CG1-CE1 3.47Å; V504-F819 VanDerWaalsContact CG1-CE1 3.47Å; V504-F819 HydrophobicContact CG1-CE2 4.13Å; V504-F819 HydrophobicContact CG1-CZ 3.27Å; V504-F819 HydrophobicContact CG2-CE1 4.43Å; V504-F819 HydrophobicContact CG2-CE2 3.72Å; V504-F819 HydrophobicContact CG2-CZ 3.38Å; V504-F819 VanDerWaalsContact O-CE2 3.27Å; V504-F819 WeakPolarHBondContact O-CE2 3.38Å; A505-F819 VanDerWaalsContact CA-CD2 3.48Å; A505-F819 HydrophobicContact CB-CB 3.95Å; A505-F819 HydrophobicContact CB-CD1 4.18Å; A505-F819 HydrophobicContact CB-CD2 4.25Å; A505-F819 HydrophobicContact CB-CG 3.82Å; T813-F819 CarbonylContact C-O 3.55Å; T813-F819 WeakPolarHBondContact CA-O 3.41Å; D814-F819 PolarHBondContact N-O 3.04Å; Y816-F819 AromaticContact CD2-CE2 3.49Å; Y816-F819 HydrophobicContact CD2-CE2 3.49Å; Y816-F819 VanDerWaalsContact CD2-CE2 3.49Å; Y816-F819 AromaticContact CD2-CZ 3.66Å; Y816-F819 HydrophobicContact CD2-CZ 3.66Å; Y816-F819 HydrophobicContact CE2-CE2 4.33Å; Y816-F819 HydrophobicContact CG-CE2 4.22Å; Y816-F819 HydrophobicContact CG-CZ 4.17Å; P817-F819 PolarHBondContact O-N 2.8Å
820F77.3Confident67.5Low23 Ų2348.6 Ų48.610%0.10125%0.253CS..EExtended strand (participates in β ladder)trans-143.6153-176.5-49.2-79.9000111.6F473 L474 I501 A505 L610 I611 G812 T813 R818F473-F820 HydrophobicContact CE1-CD1 4.42Å; L474-F820 HydrophobicContact CD2-CD1 4.1Å; L474-F820 HydrophobicContact CD2-CE1 3.94Å; I501-F820 HydrophobicContact CD1-CZ 4.34Å; I501-F820 HydrophobicContact CG1-CE1 4.27Å; I501-F820 HydrophobicContact CG1-CZ 4.2Å; I501-F820 HydrophobicContact CG2-CZ 3.92Å; A505-F820 HydrophobicContact CB-CE2 3.85Å; A505-F820 HydrophobicContact CB-CZ 3.75Å; L610-F820 HydrophobicContact CB-CD2 4.23Å; L610-F820 HydrophobicContact CB-CE2 3.97Å; L610-F820 HydrophobicContact CD1-CE2 4.11Å; L610-F820 HydrophobicContact CD1-CZ 4.27Å; L610-F820 HydrophobicContact CD2-CE2 3.98Å; L610-F820 HydrophobicContact CG-CE2 4.25Å; I611-F820 HydrophobicContact CD1-CB 3.41Å; I611-F820 VanDerWaalsContact CD1-CB 3.41Å; I611-F820 HydrophobicContact CD1-CG 4.13Å; I611-F820 HydrophobicContact CG1-CB 3.8Å; I611-F820 HydrophobicContact CG1-CD2 4.19Å; I611-F820 HydrophobicContact CG1-CG 4.23Å; G812-F820 VanDerWaalsContact O-CA 3.25Å; G812-F820 WeakPolarHBondContact O-CA 3.36Å; T813-F820 HydrophobicContact CG2-CD1 4.16Å; T813-F820 HydrophobicContact CG2-CE1 4.19Å; R818-F820 PolarHBondContact O-N 2.88Å
821Y79.5Confident65.5Low24 Ų2454.1 Ų54.19%0.09427%0.272CS..EExtended strand (participates in β ladder)trans-138.7155.1176.872.8-96.4000110.7W791 V810 I811 G812 T813 D814 A823 T829 Y831W791-Y821 HydrophobicContact CB-CD2 4.26Å; W791-Y821 HydrophobicContact CB-CG 4.38Å; W791-Y821 HydrophobicContact CG-CD2 4.31Å; V810-Y821 HydrophobicContact CG1-CE2 4.24Å; I811-Y821 WeakPolarHBondContact CA-O 3.42Å; G812-Y821 VanDerWaalsContact CA-CE1 3.44Å; G812-Y821 PolarHBondContact N-O 3.07Å; G812-Y821 VanDerWaalsContact N-O 3.09Å; G812-Y821 WeakPolarHBondContact O-CD1 3.24Å; G812-Y821 PolarHBondContact O-N 3.25Å; T813-Y821 WeakPolarHBondContact O-CE1 3.41Å; D814-Y821 HydrophobicContact CB-CD1 3.97Å; Y821-A823 HydrophobicContact CD2-CB 4.25Å; Y821-A823 HydrophobicContact CE2-CB 4.06Å; Y821-T829 HydrophobicContact CD2-CG2 3.89Å; Y821-T829 HydrophobicContact CE1-CG2 4.33Å; Y821-T829 HydrophobicContact CE2-CG2 3.21Å; Y821-T829 VanDerWaalsContact CZ-CG2 3.46Å; Y821-T829 PolarHBondContact OH-OG1 3.28Å; Y821-T829 VanDerWaalsContact OH-OG1 3.06Å; Y821-Y831 WeakPolarHBondContact OH-CE2 3.26Å
822I85.6Confident63.3Low1 Ų158.2 Ų58.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-116.4132.6169.7-52.4-167.9000108.3I611 A788 C790 W791 F799 V801 A804 I809 I811I611-I822 HydrophobicContact CD1-CD1 4.45Å; I611-I822 HydrophobicContact CD1-CG1 4.19Å; I611-I822 HydrophobicContact CG2-CD1 4.19Å; I611-I822 HydrophobicContact CG2-CG1 4.29Å; A788-I822 HydrophobicContact CB-CD1 3.67Å; C790-I822 CarbonylContact C-O 3.53Å; C790-I822 VanDerWaalsContact CA-O 3.29Å; C790-I822 WeakPolarHBondContact CA-O 3.45Å; W791-I822 PolarHBondContact N-O 3.45Å; F799-I822 HydrophobicContact CD2-CB 4.41Å; F799-I822 HydrophobicContact CD2-CG2 3.63Å; F799-I822 HydrophobicContact CE2-CG2 3.85Å; F799-I822 HydrophobicContact CG-CG2 4.14Å; V801-I822 HydrophobicContact CG2-CD1 4.43Å; A804-I822 HydrophobicContact CB-CD1 4.22Å; A804-I822 HydrophobicContact CB-CG2 4.11Å; I809-I822 HydrophobicContact CG2-CG2 3.64Å; I811-I822 HydrophobicContact CG1-CG1 4.24Å; I811-I822 HydrophobicContact CG1-CG2 4.48Å
823A81.8Confident61.6Low5 Ų561.6 Ų61.64%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-113.9114.5-177.500000111.5I809 V810 Y821 H827I809-A823 VanDerWaalsContact CG2-O 3.26Å; I809-A823 WeakPolarHBondContact CG2-O 3.41Å; V810-A823 HydrophobicContact CB-CB 4.1Å; V810-A823 HydrophobicContact CG1-CB 4.24Å; V810-A823 PolarHBondContact O-N 3.4Å; Y821-A823 HydrophobicContact CD2-CB 4.25Å; Y821-A823 HydrophobicContact CE2-CB 4.06Å; A823-H827 VanDerWaalsContact CB-O 3.31Å; A823-H827 WeakPolarHBondContact CB-O 3.45Å
824C84.9Confident59.8Low2 Ų263.6 Ų63.61%0.01432%0.321CS..  trans-72166.3174.280.10000111.4C790 C795 T797 F799 K826 H827C790-C824 HydrophobicContact CB-CB 4.21Å; C790-C824 PolarHBondContact SG-N 3.22Å; C790-C824 VanDerWaalsContact SG-N 3.43Å; C790-C824 PolarHBondContact SG-SG 3Å; C795-C824 VanDerWaalsContact SG-SG 3.69Å; T797-C824 HydrophobicContact CG2-CB 3.67Å; F799-C824 HydrophobicContact CE2-CB 4.04Å; F799-C824 HydrophobicContact CZ-CB 3.68Å; C824-K826 PolarHBondContact O-N 2.89Å; C824-K826 VanDerWaalsContact O-N 3.14Å; C824-H827 CarbonylContact O-C 3.44Å; C824-H827 PolarHBondContact O-N 2.75Å; C824-H827 VanDerWaalsContact O-N 3.11Å; C824-H827 PolarHBondContact SG-N 2.62Å; C824-H827 VanDerWaalsContact SG-N 3.4Å
825S80Confident58.4Low83 Ų8366.1 Ų66.158%0.5833%0.334SS*.THydrogen-bonded Turntrans-63-19.318052.70000114.7
826K78.1Confident57.3Low163 Ų16366.2 Ų66.271%0.70933%0.328SS*.THydrogen-bonded Turntrans-85.5-30.5174.2-61.7-175.7178.1-176.40113.4C824 P828C824-K826 PolarHBondContact O-N 2.89Å; C824-K826 VanDerWaalsContact O-N 3.14Å; K826-P828 WeakPolarHBondContact O-CD 3.27Å
827H73.4Confident56.7Low42 Ų4268 Ų6819%0.19434%0.339CS..SBendtrans-121.368.3173.9-46.8112.9000109.8W791 Y792 C795 A823 C824 T829W791-H827 PolarHBondContact NE1-O 2.86Å; Y792-H827 VanDerWaalsContact CB-CG 3.44Å; Y792-H827 AromaticContact CD1-CD2 3.65Å; Y792-H827 AromaticContact CD1-CE1 3.59Å; Y792-H827 AromaticContact CD1-CG 3.87Å; Y792-H827 AromaticContact CD1-ND1 3.85Å; Y792-H827 AromaticContact CD1-NE2 3.49Å; Y792-H827 WeakPolarHBondContact CD1-NE2 3.45Å; Y792-H827 AromaticContact CE1-NE2 3.79Å; Y792-H827 HydrophobicContact CG-CB 4.12Å; Y792-H827 AromaticContact CG-CD2 3.61Å; Y792-H827 AromaticContact CG-CG 3.59Å; Y792-H827 AromaticContact CG-ND1 3.92Å; Y792-H827 AromaticContact CG-NE2 3.97Å; C795-H827 VanDerWaalsContact CB-CE1 3.49Å; C795-H827 WeakPolarHBondContact CB-CE1 3.27Å; C795-H827 WeakPolarHBondContact CB-ND1 3.38Å; C795-H827 PolarHBondContact SG-CE1 3.45Å; C795-H827 PolarHBondContact SG-ND1 3.48Å; A823-H827 VanDerWaalsContact CB-O 3.31Å; A823-H827 WeakPolarHBondContact CB-O 3.45Å; C824-H827 CarbonylContact O-C 3.44Å; C824-H827 PolarHBondContact O-N 2.75Å; C824-H827 VanDerWaalsContact O-N 3.11Å; C824-H827 PolarHBondContact SG-N 2.62Å; C824-H827 VanDerWaalsContact SG-N 3.4Å; H827-T829 PolarHBondContact O-N 3.47Å
828P63.5Low56Low13 Ų1371.6 Ų71.68%0.08436%0.356CS..  trans-42.7140.3151.8-25.535.7000109.3L246 K826 N830L246-P828 HydrophobicContact CD1-CB 3.77Å; L246-P828 HydrophobicContact CD1-CG 3.92Å; L246-P828 HydrophobicContact CD2-CG 3.76Å; L246-P828 HydrophobicContact CG-CG 4.49Å; K826-P828 WeakPolarHBondContact O-CD 3.27Å; P828-N830 PolarHBondContact O-N 2.89Å
829T54.4Low55.3Low28 Ų2872.8 Ų72.817%0.17237%0.365CS..  trans-63.8109.1152.742.10000107.4W791 Y821 H827 Y831W791-T829 HydrophobicContact CD2-CG2 4.28Å; W791-T829 HydrophobicContact CZ2-CG2 4.2Å; Y821-T829 HydrophobicContact CD2-CG2 3.89Å; Y821-T829 HydrophobicContact CE1-CG2 4.33Å; Y821-T829 HydrophobicContact CE2-CG2 3.21Å; Y821-T829 VanDerWaalsContact CZ-CG2 3.46Å; Y821-T829 PolarHBondContact OH-OG1 3.28Å; Y821-T829 VanDerWaalsContact OH-OG1 3.06Å; H827-T829 PolarHBondContact O-N 3.47Å; T829-Y831 PolarHBondContact O-N 2.82Å
830N40.9Very low54.3Low95 Ų9573.1 Ų73.151%0.50838%0.378SS..  trans-52.6117.1137.1-68.3-10.6000105.1P828 D832P828-N830 PolarHBondContact O-N 2.89Å; N830-D832 HydrophobicContact CB-CB 4.13Å; N830-D832 PolarHBondContact O-N 3.11Å
831Y36.7Very low53.3Low151 Ų15176.8 Ų76.859%0.59241%0.406SS*.SBendtrans-74.669.6159.2-104.5-79.2000106.9Y821 T829Y821-Y831 WeakPolarHBondContact OH-CE2 3.26Å; T829-Y831 PolarHBondContact O-N 2.82Å
832D33.7Very low52.7Low101 Ų10176.3 Ų76.354%0.5441%0.406SS..  trans-16860.2-179-113.1-3.8000103.7N830 P834N830-D832 HydrophobicContact CB-CB 4.13Å; N830-D832 PolarHBondContact O-N 3.11Å; D832-P834 VanDerWaalsContact O-CD 3.3Å; D832-P834 WeakPolarHBondContact O-CD 3.36Å
833H33.5Very low52.1Low82 Ų8278.3 Ų78.338%0.3842%0.42SS..  trans-69.5115.9177.1-174.5-79000107.1N835 F836H833-N835 PolarHBondContact O-N 3.3Å; H833-F836 HydrophobicContact CB-CB 4.26Å; H833-F836 HydrophobicContact CB-CD2 3.8Å; H833-F836 HydrophobicContact CB-CG 4.48Å; H833-F836 AromaticContact CG-CD2 3.71Å; H833-F836 AromaticContact ND1-CD2 3.53Å; H833-F836 PolarHBondContact O-N 3.29Å
834P30.4Very low52.1Low104 Ų10482.6 Ų82.668%0.67545%0.447SS*.THydrogen-bonded Turntrans-60-19-165.1-27.436.2000115.1D832D832-P834 VanDerWaalsContact O-CD 3.3Å; D832-P834 WeakPolarHBondContact O-CD 3.36Å
835N29.5Very low52Low105 Ų10585.1 Ų85.156%0.56147%0.474SS*.THydrogen-bonded Turntrans-106.217.1-179.8-63.7-13.1000114H752 H833 H837H752-N835 PolarHBondContact CE1-ND2 3.45Å; H833-N835 PolarHBondContact O-N 3.3Å; N835-H837 VanDerWaalsContact C-N 3.3Å
836F31.5Very low52Low87 Ų8781.4 Ų81.438%0.38245%0.447SS..  trans-94.131.2171.6-103.1-82.4000113.3V815 H833 D838V815-F836 HydrophobicContact CB-CZ 3.88Å; V815-F836 HydrophobicContact CG2-CE1 3.74Å; V815-F836 HydrophobicContact CG2-CZ 3.44Å; V815-F836 VanDerWaalsContact CG2-CZ 3.44Å; H833-F836 HydrophobicContact CB-CB 4.26Å; H833-F836 HydrophobicContact CB-CD2 3.8Å; H833-F836 HydrophobicContact CB-CG 4.48Å; H833-F836 AromaticContact CG-CD2 3.71Å; H833-F836 AromaticContact ND1-CD2 3.53Å; H833-F836 PolarHBondContact O-N 3.29Å; F836-D838 PolarHBondContact O-N 3.13Å
837H29.6Very low52Low132 Ų13278.7 Ų78.761%0.61144%0.437SS*.  trans-78.549.4166.6-78.3-65.7000112.4N835N835-H837 VanDerWaalsContact C-N 3.3Å
838D30.6Very low52.3Low133 Ų13376.7 Ų76.771%0.71143%0.428SS*.  trans-141.872.8153.1-166.27.4000109.2F836 G840F836-D838 PolarHBondContact O-N 3.13Å; D838-G840 PolarHBondContact O-N 2.91Å
839H39.4Very low52.6Low122 Ų12278.4 Ų78.457%0.56544%0.435SS*.  trans-67.687.5157.3-73.5-33000107.7S841H839-S841 PolarHBondContact O-N 3.22Å; H839-S841 VanDerWaalsContact O-N 3.11Å
840G46Very low53.4Low40 Ų4077.1 Ų77.141%0.41243%0.427SS..  trans-40.7122.517300000109.9D838 V842D838-G840 PolarHBondContact O-N 2.91Å; G840-V842 PolarHBondContact O-N 3.16Å
841S56.2Low54.6Low100 Ų10075.6 Ų75.670%0.69942%0.417SS*.  trans-61.1109-159.146.70000111.3H839 S843H839-S841 PolarHBondContact O-N 3.22Å; H839-S841 VanDerWaalsContact O-N 3.11Å; S841-S843 PolarHBondContact O-N 3.5Å; S841-S843 VanDerWaalsContact O-N 3.16Å; S841-S843 PolarHBondContact O-OG 3.2Å
842V66.3Low55.7Low13 Ų1370.9 Ų70.98%0.07940%0.401CS..  trans-56.6124.8174.1-167.90000107.2G840 A863 W929 F946 V948G840-V842 PolarHBondContact O-N 3.16Å; V842-A863 HydrophobicContact CG1-CB 3.6Å; V842-W929 HydrophobicContact CB-CD2 4.27Å; V842-W929 HydrophobicContact CB-CH2 3.83Å; V842-W929 HydrophobicContact CB-CZ2 3.49Å; V842-W929 VanDerWaalsContact CB-CZ2 3.49Å; V842-W929 HydrophobicContact CB-CZ3 4.31Å; V842-W929 HydrophobicContact CG1-CD2 3.81Å; V842-W929 HydrophobicContact CG1-CE3 3.75Å; V842-W929 HydrophobicContact CG1-CH2 3.77Å; V842-W929 HydrophobicContact CG1-CZ2 3.8Å; V842-W929 HydrophobicContact CG1-CZ3 3.72Å; V842-W929 HydrophobicContact CG2-CZ2 4.42Å; V842-W929 WeakPolarHBondContact O-CH2 3.45Å; V842-W929 VanDerWaalsContact O-CZ2 3.26Å; V842-W929 WeakPolarHBondContact O-CZ2 3.42Å; V842-F946 HydrophobicContact CG1-CE2 3.96Å; V842-F946 HydrophobicContact CG1-CZ 4.35Å; V842-F946 HydrophobicContact CG2-CE2 3.81Å; V842-F946 HydrophobicContact CG2-CZ 4.12Å; V842-V948 HydrophobicContact CB-CG2 4.19Å; V842-V948 HydrophobicContact CG1-CG2 4.26Å; V842-V948 HydrophobicContact CG2-CG2 3.6Å
843S73.8Confident56.9Low43 Ų4370.2 Ų70.230%0.30140%0.4SS..  trans-113.4152.9173.6-58.10000110.5S841 G845 D846S841-S843 PolarHBondContact O-N 3.5Å; S841-S843 VanDerWaalsContact O-N 3.16Å; S841-S843 PolarHBondContact O-OG 3.2Å; S843-G845 PolarHBondContact O-N 3.18Å; S843-D846 WeakPolarHBondContact CB-OD1 3.16Å; S843-D846 VanDerWaalsContact N-CG 3.3Å; S843-D846 PolarHBondContact N-OD2 3.27Å; S843-D846 WeakPolarHBondContact O-CB 3.28Å; S843-D846 PolarHBondContact O-N 3.21Å; S843-D846 VanDerWaalsContact O-N 3.1Å
844P82Confident57.7Low95 Ų9570.8 Ų70.862%0.61741%0.413SS*.THydrogen-bonded Turntrans-49.4124.5162.6-30.138.8000111.2A863 I864P844-A863 WeakPolarHBondContact CA-O 3.27Å; P844-I864 WeakPolarHBondContact CB-O 3.42Å; P844-I864 WeakPolarHBondContact CG-O 3.09Å
845G81.8Confident58.4Low56 Ų5669 Ų6958%0.57740%0.398SS*.THydrogen-bonded Turntrans96.32-176.400000115.5S843 A863S843-G845 PolarHBondContact O-N 3.18Å; G845-A863 PolarHBondContact N-O 3.25Å
846D80Confident59.5Low4 Ų465.3 Ų65.32%0.02138%0.38CS..  trans-74.4132.3178.1-69.410.6000111.9S843 V848 I862 A863 V948 K951S843-D846 WeakPolarHBondContact CB-OD1 3.16Å; S843-D846 VanDerWaalsContact N-CG 3.3Å; S843-D846 PolarHBondContact N-OD2 3.27Å; S843-D846 WeakPolarHBondContact O-CB 3.28Å; S843-D846 PolarHBondContact O-N 3.21Å; S843-D846 VanDerWaalsContact O-N 3.1Å; D846-V848 HydrophobicContact CB-CG1 4.4Å; D846-V848 PolarHBondContact O-N 3.34Å; D846-I862 WeakPolarHBondContact O-CA 3.36Å; D846-A863 HydrophobicContact CB-CB 4.2Å; D846-A863 PolarHBondContact O-N 3.31Å; D846-V948 HydrophobicContact CB-CG1 4.39Å; D846-K951 WeakPolarHBondContact OD1-CE 3.18Å; D846-K951 IonicContact OD1-NZ 2.74Å; D846-K951 PolarHBondContact OD1-NZ 3.02Å; D846-K951 IonicContact OD2-NZ 2.77Å
847E79.7Confident60.5Low107 Ų10763.2 Ų63.250%0.537%0.372SS..EExtended strand (participates in β ladder)trans-66.9127.2165.9-69-175.9173.700109.2Q949E847-Q949 HydrophobicContact CB-CB 4.06Å; E847-Q949 WeakPolarHBondContact O-CB 3.38Å; E847-Q949 PolarHBondContact O-N 2.7Å; E847-Q949 PolarHBondContact OE2-NE2 2.88Å
848V77.9Confident62Low0 Ų060.1 Ų60.10%036%0.357CS..EExtended strand (participates in β ladder)trans-134.5145.4-178.4-61.50000111.8D846 V850 A861 A863 V931 F946 Y947 V948D846-V848 HydrophobicContact CB-CG1 4.4Å; D846-V848 PolarHBondContact O-N 3.34Å; V848-V850 HydrophobicContact CG2-CG1 4.12Å; V848-A861 HydrophobicContact CG2-CB 4.15Å; V848-A861 WeakPolarHBondContact CG2-O 3.3Å; V848-A861 PolarHBondContact N-O 3.21Å; V848-A861 PolarHBondContact O-N 3.25Å; V848-A861 VanDerWaalsContact O-O 3.07Å; V848-A863 HydrophobicContact CG1-CB 3.99Å; V848-A863 HydrophobicContact CG2-CB 4.47Å; V848-V931 HydrophobicContact CG2-CG1 3.32Å; V848-F946 HydrophobicContact CB-CB 4.49Å; V848-F946 HydrophobicContact CB-CD2 3.79Å; V848-F946 HydrophobicContact CG1-CD2 3.67Å; V848-F946 HydrophobicContact CG1-CE2 3.97Å; V848-F946 HydrophobicContact CG2-CD2 4.17Å; V848-Y947 CarbonylContact C-O 3.48Å; V848-Y947 WeakPolarHBondContact CA-O 3.45Å; V848-Y947 WeakPolarHBondContact CB-O 3.45Å; V848-V948 HydrophobicContact CG1-CG2 4.24Å
849M71.2Confident63.8Low49 Ų4954.8 Ų54.824%0.24133%0.33CS..EExtended strand (participates in β ladder)trans-96.6112.7172.5-67.2-62.3-70.500109.8F858 S859 F946 Y947M849-F858 HydrophobicContact CE-CB 3.98Å; M849-S859 CarbonylContact C-O 3.46Å; M849-S859 WeakPolarHBondContact CA-O 3.46Å; M849-F946 CarbonylContact O-C 3.42Å; M849-F946 WeakPolarHBondContact O-CA 3.47Å; M849-Y947 PolarHBondContact N-O 3.34Å; M849-Y947 PolarHBondContact O-N 2.84Å
850V71.1Confident65.5Low0 Ų050.6 Ų50.60%032%0.315CS..EExtended strand (participates in β ladder)trans-100.8141.2-177-63.30000113V848 Q852 F858 S859 A861 V931 L933 F941 Q945 F946V848-V850 HydrophobicContact CG2-CG1 4.12Å; V850-Q852 HydrophobicContact CG2-CG 4.15Å; V850-F858 CarbonylContact O-C 3.58Å; V850-F858 VanDerWaalsContact O-CA 3.28Å; V850-F858 WeakPolarHBondContact O-CA 3.38Å; V850-S859 WeakPolarHBondContact CG2-O 3.05Å; V850-S859 PolarHBondContact N-O 2.85Å; V850-S859 PolarHBondContact O-N 2.7Å; V850-A861 HydrophobicContact CB-CB 4.47Å; V850-A861 HydrophobicContact CG1-CB 3.78Å; V850-A861 HydrophobicContact CG2-CB 3.8Å; V850-V931 HydrophobicContact CG1-CB 4.24Å; V850-V931 HydrophobicContact CG1-CG1 3.83Å; V850-V931 HydrophobicContact CG1-CG2 4.36Å; V850-L933 HydrophobicContact CG2-CD2 3.53Å; V850-F941 HydrophobicContact CB-CD1 4.27Å; V850-F941 HydrophobicContact CB-CD2 4.42Å; V850-F941 HydrophobicContact CB-CE1 4Å; V850-F941 HydrophobicContact CB-CE2 4.13Å; V850-F941 HydrophobicContact CB-CG 4.48Å; V850-F941 HydrophobicContact CB-CZ 3.93Å; V850-F941 HydrophobicContact CG1-CD2 3.96Å; V850-F941 HydrophobicContact CG1-CE2 3.98Å; V850-F941 HydrophobicContact CG1-CG 4.22Å; V850-F941 HydrophobicContact CG1-CZ 4.29Å; V850-F941 HydrophobicContact CG2-CE1 4.49Å; V850-F941 HydrophobicContact CG2-CE2 4.32Å; V850-F941 HydrophobicContact CG2-CZ 4.04Å; V850-Q945 CarbonylContact C-O 3.54Å; V850-Q945 WeakPolarHBondContact CA-O 3.46Å; V850-F946 HydrophobicContact CB-CB 4.31Å; V850-F946 HydrophobicContact CG1-CB 3.67Å
851Q65.7Low67.3Low63 Ų6348.9 Ų48.929%0.29430%0.296SS..EExtended strand (participates in β ladder)trans-89106.9170.3-169.5-179.9-2.700110.9T853 D855 F858 F941 Q945Q851-T853 PolarHBondContact O-N 3.36Å; Q851-D855 PolarHBondContact NE2-O 3Å; Q851-F858 HydrophobicContact CB-CD1 4.01Å; Q851-F858 HydrophobicContact CB-CE1 3.71Å; Q851-F858 HydrophobicContact CG-CE1 4.25Å; Q851-F941 WeakPolarHBondContact O-CE1 3.39Å; Q851-Q945 PolarHBondContact N-O 2.79Å
852Q60.2Low68.7Low53 Ų5347.7 Ų47.725%0.24828%0.282CS..  trans-82.7101.8-176.5-62.9-164.234.200112.6V850 I857 S859 L933 F941V850-Q852 HydrophobicContact CG2-CG 4.15Å; Q852-I857 PolarHBondContact N-O 3Å; Q852-S859 PolarHBondContact NE2-OG 2.9Å; Q852-S859 VanDerWaalsContact NE2-OG 3.17Å; Q852-L933 HydrophobicContact CG-CD2 4.42Å; Q852-F941 HydrophobicContact CG-CZ 4.41Å
853T59.2Low69.6Low87 Ų8747.1 Ų47.153%0.53428%0.278SS..THydrogen-bonded Turntrans59.4-155.1173.866.80000113.9Q851 D855Q851-T853 PolarHBondContact O-N 3.36Å; T853-D855 PolarHBondContact O-N 2.61Å
854S49.9Very low70.3Confident93 Ų9347.6 Ų47.665%0.6528%0.277SS*.THydrogen-bonded Turntrans-75.610.9-167.244.70000115.7
855D45.6Very low70.5Confident68 Ų6848.5 Ų48.536%0.36427%0.268SS..SBendtrans-105.2142.7175.8-68.6-48.1000110.4Q851 T853 I857Q851-D855 PolarHBondContact NE2-O 3Å; T853-D855 PolarHBondContact O-N 2.61Å; D855-I857 HydrophobicContact CB-CD1 4.11Å; D855-I857 HydrophobicContact CB-CG1 4.45Å; D855-I857 PolarHBondContact O-N 3.17Å
856P52.3Low70.3Confident27 Ų2750.9 Ų50.918%0.17526%0.259CS..  trans-8145.9-17635.3-37.4000112T476 H479T476-P856 HydrophobicContact CG2-CB 4.07Å; H479-P856 HydrophobicContact CB-CG 4.26Å
857I51.4Low70.2Confident43 Ų4353.1 Ų53.122%0.22127%0.273CS..  trans-113.2115.3-175.1-63.4162.9000108.5K465 Q852 D855K465-I857 HydrophobicContact CD-CD1 3.97Å; K465-I857 HydrophobicContact CD-CG1 4.25Å; K465-I857 HydrophobicContact CD-CG2 4.06Å; K465-I857 VanDerWaalsContact NZ-CG2 3.29Å; Q852-I857 PolarHBondContact N-O 3Å; D855-I857 HydrophobicContact CB-CD1 4.11Å; D855-I857 HydrophobicContact CB-CG1 4.45Å; D855-I857 PolarHBondContact O-N 3.17Å
858F62.6Low69.6Low67 Ų6749.7 Ų49.729%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-81.6146.2169.3-61.4-77.8000110.6M849 V850 Q851 Y947M849-F858 HydrophobicContact CE-CB 3.98Å; V850-F858 CarbonylContact O-C 3.58Å; V850-F858 VanDerWaalsContact O-CA 3.28Å; V850-F858 WeakPolarHBondContact O-CA 3.38Å; Q851-F858 HydrophobicContact CB-CD1 4.01Å; Q851-F858 HydrophobicContact CB-CE1 3.71Å; Q851-F858 HydrophobicContact CG-CE1 4.25Å; F858-Y947 HydrophobicContact CD1-CD2 4.46Å; F858-Y947 HydrophobicContact CD1-CE2 4.39Å; F858-Y947 HydrophobicContact CE1-CD2 4.11Å; F858-Y947 AromaticContact CE1-CE2 3.61Å; F858-Y947 HydrophobicContact CE1-CE2 3.61Å; F858-Y947 HydrophobicContact CZ-CE2 4.13Å
859S67.2Low69Low20 Ų2053 Ų5314%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-135149.9176.1-47.40000109.3M849 V850 Q852M849-S859 CarbonylContact C-O 3.46Å; M849-S859 WeakPolarHBondContact CA-O 3.46Å; V850-S859 WeakPolarHBondContact CG2-O 3.05Å; V850-S859 PolarHBondContact N-O 2.85Å; V850-S859 PolarHBondContact O-N 2.7Å; Q852-S859 PolarHBondContact NE2-OG 2.9Å; Q852-S859 VanDerWaalsContact NE2-OG 3.17Å
860S75.1Confident68.9Low35 Ų3552.4 Ų52.425%0.24528%0.279CS..EExtended strand (participates in β ladder)trans-70.2149170.9-163.40000111E934S860-E934 VanDerWaalsContact CB-OE1 3.31Å; S860-E934 WeakPolarHBondContact CB-OE1 3.41Å; S860-E934 PolarHBondContact O-N 3.31Å
861A84Confident69.4Low3 Ų356.2 Ų56.23%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-163.3168.2-178.600000110.1V848 V850 V931 Q932 L933V848-A861 HydrophobicContact CG2-CB 4.15Å; V848-A861 WeakPolarHBondContact CG2-O 3.3Å; V848-A861 PolarHBondContact N-O 3.21Å; V848-A861 PolarHBondContact O-N 3.25Å; V848-A861 VanDerWaalsContact O-O 3.07Å; V850-A861 HydrophobicContact CB-CB 4.47Å; V850-A861 HydrophobicContact CG1-CB 3.78Å; V850-A861 HydrophobicContact CG2-CB 3.8Å; A861-V931 HydrophobicContact CB-CG1 3.43Å; A861-V931 VanDerWaalsContact CB-CG1 3.43Å; A861-Q932 CarbonylContact C-O 3.55Å; A861-Q932 WeakPolarHBondContact CA-O 3.42Å; A861-Q932 VanDerWaalsContact CB-O 3.23Å; A861-Q932 WeakPolarHBondContact CB-O 3.5Å; A861-L933 HydrophobicContact CB-CD2 4.15Å
862I86.6Confident70.2Confident76 Ų7653.2 Ų53.239%0.3928%0.279SS..EExtended strand (participates in β ladder)trans-118.7125.1179.7-59.4173.5000110D846 I864 V931 Q932D846-I862 WeakPolarHBondContact O-CA 3.36Å; I862-I864 PolarHBondContact O-N 3.49Å; I862-V931 VanDerWaalsContact C-CG1 3.46Å; I862-V931 CarbonylContact O-C 3.58Å; I862-V931 VanDerWaalsContact O-CA 3.3Å; I862-V931 WeakPolarHBondContact O-CA 3.38Å; I862-V931 WeakPolarHBondContact O-CG1 3.19Å; I862-Q932 PolarHBondContact N-O 2.85Å; I862-Q932 PolarHBondContact O-N 3.41Å
863A85.1Confident71.4Confident0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-66.5118.9174.600000110.4V842 P844 G845 D846 V848 W929V842-A863 HydrophobicContact CG1-CB 3.6Å; P844-A863 WeakPolarHBondContact CA-O 3.27Å; G845-A863 PolarHBondContact N-O 3.25Å; D846-A863 HydrophobicContact CB-CB 4.2Å; D846-A863 PolarHBondContact O-N 3.31Å; V848-A863 HydrophobicContact CG1-CB 3.99Å; V848-A863 HydrophobicContact CG2-CB 4.47Å; A863-W929 HydrophobicContact CB-CE3 3.9Å; A863-W929 HydrophobicContact CB-CZ3 4.2Å
864I87.6Confident72.7Confident53 Ų5351.4 Ų51.427%0.27226%0.261SS..EExtended strand (participates in β ladder)trans-89.9-57-177.5-50.3-179.6000110.1P844 I862 E930 Q932 I938P844-I864 WeakPolarHBondContact CB-O 3.42Å; P844-I864 WeakPolarHBondContact CG-O 3.09Å; I862-I864 PolarHBondContact O-N 3.49Å; I864-E930 WeakPolarHBondContact CA-O 3.34Å; I864-E930 HydrophobicContact CB-CB 4.14Å; I864-E930 WeakPolarHBondContact CB-O 3.32Å; I864-E930 HydrophobicContact CD1-CB 4.36Å; I864-E930 PolarHBondContact N-O 3.06Å; I864-Q932 HydrophobicContact CD1-CB 3.89Å; I864-Q932 HydrophobicContact CG1-CB 4.12Å; I864-I938 HydrophobicContact CD1-CB 4.23Å; I864-I938 HydrophobicContact CD1-CD1 3.66Å; I864-I938 HydrophobicContact CD1-CG1 3.69Å; I864-I938 HydrophobicContact CD1-CG2 3.6Å
865R86.4Confident74.4Confident114 Ų11448.5 Ų48.543%0.4324%0.24SC..EExtended strand (participates in β ladder)trans-163.1153.3-178.363.6-179.6-170.294.82.4111.4W929 E930R865-W929 CarbonylContact O-C 3.51Å; R865-W929 WeakPolarHBondContact O-CA 3.41Å; R865-E930 HydrophobicContact CG-CB 4.12Å; R865-E930 IonicContact CZ-OE1 2.7Å; R865-E930 IonicContact CZ-OE2 2.69Å; R865-E930 PolarHBondContact N-O 3.3Å; R865-E930 IonicContact NE-OE1 3.63Å; R865-E930 IonicContact NE-OE2 3.76Å; R865-E930 PolarHBondContact NE-OE2 3.36Å; R865-E930 VanDerWaalsContact NH2-CD 3.26Å; R865-E930 IonicContact NH2-OE1 3.17Å; R865-E930 PolarHBondContact NH2-OE1 2.91Å; R865-E930 IonicContact NH2-OE2 3.75Å; R865-E930 PolarHBondContact NH2-OE2 3.34Å; R865-E930 PolarHBondContact O-N 3.35Å
866R78.5Confident76.4Confident107 Ų10746.1 Ų46.140%0.40423%0.227SC..EExtended strand (participates in β ladder)trans-68.6134.6165.1-157.917164.5-156.8-4.6109.8T868 L870 E927 Q928 W929R866-T868 WeakPolarHBondContact CG-O 3.5Å; R866-T868 PolarHBondContact NE-O 2.97Å; R866-L870 VanDerWaalsContact NH1-CD1 3.31Å; R866-E927 VanDerWaalsContact CD-CD 3.41Å; R866-E927 WeakPolarHBondContact CD-OE1 3.46Å; R866-E927 HydrophobicContact CG-CB 4.23Å; R866-E927 IonicContact CZ-OE1 2.76Å; R866-E927 IonicContact NE-OE1 3.94Å; R866-E927 IonicContact NH1-OE1 3.1Å; R866-E927 PolarHBondContact NH1-OE1 3.12Å; R866-Q928 CarbonylContact C-O 3.54Å; R866-Q928 WeakPolarHBondContact CA-O 3.5Å; R866-Q928 WeakPolarHBondContact CG-O 3.48Å; R866-W929 HydrophobicContact CB-CD2 4.11Å; R866-W929 HydrophobicContact CB-CH2 4.19Å; R866-W929 HydrophobicContact CB-CZ2 3.69Å; R866-W929 HydrophobicContact CG-CD2 4.48Å; R866-W929 HydrophobicContact CG-CZ2 4.2Å
867V77.3Confident77.6Confident50 Ų5050 Ų5030%0.30325%0.252SS..  trans-101.5-40-177.8-177.90000110.7Q928 E930 V940V867-Q928 HydrophobicContact CB-CB 4.25Å; V867-Q928 PolarHBondContact N-O 3.01Å; V867-E930 HydrophobicContact CG2-CB 4.01Å; V867-E930 HydrophobicContact CG2-CG 3.7Å; V867-E930 VanDerWaalsContact CG2-N 3.31Å; V867-V940 HydrophobicContact CG2-CG1 4.4Å; V867-V940 HydrophobicContact CG2-CG2 4.4Å
868T66.3Low78.7Confident36 Ų3650.2 Ų50.222%0.22125%0.254CS..SBendtrans-94.3148177.250.50000112.9R866 Q928R866-T868 WeakPolarHBondContact CG-O 3.5Å; R866-T868 PolarHBondContact NE-O 2.97Å; T868-Q928 HydrophobicContact CG2-CB 3.81Å; T868-Q928 HydrophobicContact CG2-CG 3.81Å; T868-Q928 PolarHBondContact OG1-N 3.29Å
869P66.1Low78.6Confident69 Ų6950.5 Ų50.545%0.44828%0.275SS..PPolyproline II helixtrans-65.3148.4158.110.7-2.8000110.6Y871P869-Y871 HydrophobicContact CB-CE2 4.23Å; P869-Y871 HydrophobicContact CG-CE2 3.74Å
870L69.1Low79Confident37 Ų3750.2 Ų50.219%0.19427%0.272CS..PPolyproline II helixtrans-75121.5166.1-80.8168.1000108.2R866 P887 T924 E927R866-L870 VanDerWaalsContact NH1-CD1 3.31Å; L870-P887 VanDerWaalsContact O-CD 3.26Å; L870-P887 WeakPolarHBondContact O-CD 3.25Å; L870-P887 WeakPolarHBondContact O-CG 3.33Å; L870-T924 HydrophobicContact CD2-CG2 4.02Å; L870-E927 HydrophobicContact CD2-CG 3.54Å; L870-E927 HydrophobicContact CG-CG 4.18Å
871Y81.5Confident79.2Confident80 Ų8056 Ų5631%0.31429%0.293SS..  trans-109.2146.5170.8-64.6-75.6000110.2P869 D884 T885 P886 T924 T925P869-Y871 HydrophobicContact CB-CE2 4.23Å; P869-Y871 HydrophobicContact CG-CE2 3.74Å; Y871-D884 WeakPolarHBondContact CD1-O 3.31Å; Y871-T885 CarbonylContact C-O 3.51Å; Y871-T885 WeakPolarHBondContact CA-O 3.24Å; Y871-P886 HydrophobicContact CD1-CG 4.37Å; Y871-P886 HydrophobicContact CE1-CG 4.19Å; Y871-T924 CarbonylContact O-C 3.49Å; Y871-T924 WeakPolarHBondContact O-CA 3.48Å; Y871-T925 HydrophobicContact CD2-CG2 4.46Å; Y871-T925 PolarHBondContact N-OG1 3.27Å; Y871-T925 PolarHBondContact O-N 3.32Å; Y871-T925 PolarHBondContact O-OG1 2.81Å
872C82Confident79.2Confident0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-74.7132.7173.2-54.60000110.1I874 T885 W895 Y921C872-I874 HydrophobicContact CB-CD1 3.92Å; C872-I874 HydrophobicContact CB-CG1 3.89Å; C872-T885 HydrophobicContact CB-CG2 4.44Å; C872-T885 PolarHBondContact N-O 2.59Å; C872-T885 PolarHBondContact O-N 2.88Å; C872-W895 WeakPolarHBondContact SG-CZ3 3.44Å; C872-Y921 HydrophobicContact CB-CD2 4.32Å; C872-Y921 HydrophobicContact CB-CE2 4.13Å
873R85.3Confident78.8Confident101 Ų10155 Ų5538%0.38129%0.293SS..EExtended strand (participates in β ladder)trans-89.8127.7163.7-63.2170.566.5175.1-2.2107.4S882 E922 G923 T924R873-S882 WeakPolarHBondContact CA-O 3.24Å; R873-E922 HydrophobicContact CB-CB 3.9Å; R873-E922 PolarHBondContact O-N 3.39Å; R873-G923 WeakPolarHBondContact CB-O 3.38Å; R873-G923 PolarHBondContact N-O 3.07Å; R873-T924 WeakPolarHBondContact CD-O 3.03Å
874I87.6Confident78.7Confident1 Ų159.9 Ų59.91%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-139.9123.9-172.7-50.4-179.9000108.5C872 F876 F881 S882 T885 L890 V907 V909 T920C872-I874 HydrophobicContact CB-CD1 3.92Å; C872-I874 HydrophobicContact CB-CG1 3.89Å; I874-F876 HydrophobicContact CB-CE2 4.38Å; I874-F876 HydrophobicContact CB-CZ 4.43Å; I874-F876 HydrophobicContact CG2-CE1 4.25Å; I874-F876 HydrophobicContact CG2-CE2 4.24Å; I874-F876 HydrophobicContact CG2-CZ 4.02Å; I874-F881 CarbonylContact O-C 3.57Å; I874-F881 WeakPolarHBondContact O-CA 3.5Å; I874-S882 PolarHBondContact N-O 3.26Å; I874-S882 PolarHBondContact O-N 2.89Å; I874-T885 HydrophobicContact CD1-CG2 3.65Å; I874-L890 HydrophobicContact CD1-CD2 3.66Å; I874-V907 HydrophobicContact CD1-CG2 4.14Å; I874-V907 HydrophobicContact CG1-CG2 4.47Å; I874-V907 HydrophobicContact CG2-CG2 3.94Å; I874-V909 HydrophobicContact CD1-CG1 4.44Å; I874-V909 HydrophobicContact CD1-CG2 3.43Å; I874-V909 VanDerWaalsContact CD1-CG2 3.43Å; I874-V909 HydrophobicContact CG2-CG2 4.14Å; I874-T920 CarbonylContact C-O 3.39Å; I874-T920 VanDerWaalsContact CA-O 3.32Å; I874-T920 WeakPolarHBondContact CA-O 3.24Å; I874-T920 WeakPolarHBondContact CG2-O 3.22Å
875S84.7Confident78.6Confident31 Ų3157.4 Ų57.422%0.21731%0.307CS..EExtended strand (participates in β ladder)trans-90.7138.1168.7520000109.3G919 T920 E922S875-G919 CarbonylContact O-C 3.57Å; S875-G919 VanDerWaalsContact O-CA 3.24Å; S875-G919 WeakPolarHBondContact O-CA 3.47Å; S875-T920 PolarHBondContact N-O 3.41Å; S875-T920 PolarHBondContact O-N 2.69Å; S875-T920 WeakPolarHBondContact OG-CB 3.42Å; S875-T920 PolarHBondContact OG-O 2.67Å; S875-E922 WeakPolarHBondContact CB-OE1 3.24Å; S875-E922 WeakPolarHBondContact OG-CG 3.48Å; S875-E922 PolarHBondContact OG-OE1 3.2Å
876F87.5Confident78.6Confident19 Ų1953 Ų538%0.08329%0.293CS..  trans-107151.9178.5-66.7-84.4000110.3I874 D878 G879 T880 V909 M918I874-F876 HydrophobicContact CB-CE2 4.38Å; I874-F876 HydrophobicContact CB-CZ 4.43Å; I874-F876 HydrophobicContact CG2-CE1 4.25Å; I874-F876 HydrophobicContact CG2-CE2 4.24Å; I874-F876 HydrophobicContact CG2-CZ 4.02Å; F876-D878 WeakPolarHBondContact CB-OD1 3.47Å; F876-D878 PolarHBondContact O-N 3.19Å; F876-G879 PolarHBondContact O-N 3Å; F876-T880 WeakPolarHBondContact CB-OG1 3.41Å; F876-T880 PolarHBondContact N-O 3.17Å; F876-V909 HydrophobicContact CE1-CB 4.2Å; F876-V909 HydrophobicContact CE1-CG2 3.93Å; F876-V909 HydrophobicContact CZ-CB 4.27Å; F876-V909 HydrophobicContact CZ-CG1 4.44Å; F876-V909 HydrophobicContact CZ-CG2 4.01Å; F876-M918 WeakPolarHBondContact CD1-O 3.41Å
877P77.2Confident78.9Confident109 Ų10948.6 Ų48.671%0.70828%0.278SS*.THydrogen-bonded Turntrans-59.7-3.7-178-26.634.9000116.3M918P877-M918 WeakPolarHBondContact CD-O 3.42Å
878D75.4Confident79.4Confident47 Ų4751.8 Ų51.825%0.25129%0.289SS..THydrogen-bonded Turntrans-104.413.2178.160.910.6000114.4K719 F876 T880K719-D878 HydrophobicContact CD-CB 4.11Å; K719-D878 VanDerWaalsContact CD-OD2 3.23Å; K719-D878 WeakPolarHBondContact CD-OD2 3.45Å; K719-D878 VanDerWaalsContact CE-OD2 3.26Å; K719-D878 WeakPolarHBondContact CE-OD2 3.49Å; K719-D878 HydrophobicContact CG-CB 3.83Å; K719-D878 WeakPolarHBondContact CG-OD2 3.32Å; K719-D878 IonicContact NZ-OD2 3.15Å; K719-D878 PolarHBondContact NZ-OD2 3.41Å; F876-D878 WeakPolarHBondContact CB-OD1 3.47Å; F876-D878 PolarHBondContact O-N 3.19Å; D878-T880 PolarHBondContact O-N 2.77Å; D878-T880 VanDerWaalsContact OD1-CB 3.31Å; D878-T880 WeakPolarHBondContact OD1-CB 3.28Å; D878-T880 VanDerWaalsContact OD1-CG2 3.24Å; D878-T880 WeakPolarHBondContact OD1-CG2 3.5Å; D878-T880 PolarHBondContact OD1-N 2.88Å; D878-T880 VanDerWaalsContact OD1-N 3.14Å; D878-T880 PolarHBondContact OD1-OG1 2.74Å
879G60.2Low80.6Confident72 Ų7254.7 Ų54.774%0.74230%0.297SS*.SBendtrans79.90.8-179.500000114.1F876F876-G879 PolarHBondContact O-N 3Å
880T75.8Confident81.7Confident14 Ų1451.8 Ų51.89%0.08628%0.278CS..  trans-81.4156.9172.370.70000110.9R718 F876 D878R718-T880 HydrophobicContact CB-CG2 3.99Å; R718-T880 VanDerWaalsContact O-CG2 3.25Å; R718-T880 WeakPolarHBondContact O-CG2 3.44Å; F876-T880 WeakPolarHBondContact CB-OG1 3.41Å; F876-T880 PolarHBondContact N-O 3.17Å; D878-T880 PolarHBondContact O-N 2.77Å; D878-T880 VanDerWaalsContact OD1-CB 3.31Å; D878-T880 WeakPolarHBondContact OD1-CB 3.28Å; D878-T880 VanDerWaalsContact OD1-CG2 3.24Å; D878-T880 WeakPolarHBondContact OD1-CG2 3.5Å; D878-T880 PolarHBondContact OD1-N 2.88Å; D878-T880 VanDerWaalsContact OD1-N 3.14Å; D878-T880 PolarHBondContact OD1-OG1 2.74Å
881F79.9Confident82.7Confident156 Ų15653 Ų5368%0.68429%0.287SS*.EExtended strand (participates in β ladder)trans-136.9151.3172.869.2-86.7000110.4I874I874-F881 CarbonylContact O-C 3.57Å; I874-F881 WeakPolarHBondContact O-CA 3.5Å
882S82.5Confident83.2Confident4 Ų453 Ų533%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-108.6145.5164.1177.20000109.2R873 I874 D884 T885R873-S882 WeakPolarHBondContact CA-O 3.24Å; I874-S882 PolarHBondContact N-O 3.26Å; I874-S882 PolarHBondContact O-N 2.89Å; S882-D884 PolarHBondContact OG-N 3.33Å; S882-D884 PolarHBondContact OG-OD1 3.05Å; S882-T885 VanDerWaalsContact CB-OG1 3.25Å; S882-T885 WeakPolarHBondContact CB-OG1 3.39Å; S882-T885 PolarHBondContact OG-N 2.89Å; S882-T885 PolarHBondContact OG-OG1 2.63Å
883S80Confident83.4Confident55 Ų5554.1 Ų54.139%0.38530%0.299SS..EExtended strand (participates in β ladder)trans-127.813.5169.362.10000112T925S883-T925 WeakPolarHBondContact O-CG2 3.21Å
884D83Confident83.4Confident103 Ų10353.2 Ų53.255%0.55130%0.302SS*.EExtended strand (participates in β ladder)trans-142.417.5-172.158.3-22.7000111.9Y871 S882 P886Y871-D884 WeakPolarHBondContact CD1-O 3.31Å; S882-D884 PolarHBondContact OG-N 3.33Å; S882-D884 PolarHBondContact OG-OD1 3.05Å; D884-P886 VanDerWaalsContact O-CD 3.28Å; D884-P886 WeakPolarHBondContact O-CD 3.37Å
885T85.3Confident83Confident1 Ų154.7 Ų54.71%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-68.8119.7174.3-64.50000110Y871 C872 I874 S882 L890 V909Y871-T885 CarbonylContact C-O 3.51Å; Y871-T885 WeakPolarHBondContact CA-O 3.24Å; C872-T885 HydrophobicContact CB-CG2 4.44Å; C872-T885 PolarHBondContact N-O 2.59Å; C872-T885 PolarHBondContact O-N 2.88Å; I874-T885 HydrophobicContact CD1-CG2 3.65Å; S882-T885 VanDerWaalsContact CB-OG1 3.25Å; S882-T885 WeakPolarHBondContact CB-OG1 3.39Å; S882-T885 PolarHBondContact OG-N 2.89Å; S882-T885 PolarHBondContact OG-OG1 2.63Å; T885-L890 HydrophobicContact CG2-CD2 4.43Å; T885-V909 HydrophobicContact CG2-CG1 3.75Å
886P86Confident82.6Confident22 Ų2261 Ų6114%0.14333%0.331CS..  trans-63.6141172.9-18.731.8000111.3Y871 D884 E888 Y889Y871-P886 HydrophobicContact CD1-CG 4.37Å; Y871-P886 HydrophobicContact CE1-CG 4.19Å; D884-P886 VanDerWaalsContact O-CD 3.28Å; D884-P886 WeakPolarHBondContact O-CD 3.37Å; P886-E888 HydrophobicContact CB-CG 3.94Å; P886-E888 WeakPolarHBondContact CB-OE1 3.41Å; P886-E888 VanDerWaalsContact CB-OE2 3.25Å; P886-E888 WeakPolarHBondContact CB-OE2 3.41Å; P886-E888 PolarHBondContact O-N 3.02Å; P886-Y889 HydrophobicContact CG-CD2 4.12Å; P886-Y889 HydrophobicContact CG-CE2 4.03Å; P886-Y889 HydrophobicContact CG-CG 4.41Å; P886-Y889 WeakPolarHBondContact O-CB 3.4Å; P886-Y889 PolarHBondContact O-N 3.41Å
887P85Confident82Confident13 Ų1367.6 Ų67.68%0.08436%0.36CS..G310 helixtrans-53.7-34177.4-30.137.4000114.9L870 Y889 L890 W895L870-P887 VanDerWaalsContact O-CD 3.26Å; L870-P887 WeakPolarHBondContact O-CD 3.25Å; L870-P887 WeakPolarHBondContact O-CG 3.33Å; P887-Y889 PolarHBondContact O-N 3.19Å; P887-Y889 VanDerWaalsContact O-N 3.13Å; P887-L890 WeakPolarHBondContact O-CB 3.06Å; P887-L890 PolarHBondContact O-N 3.1Å; P887-W895 HydrophobicContact CB-CB 3.85Å; P887-W895 HydrophobicContact CB-CD2 3.59Å; P887-W895 HydrophobicContact CB-CE3 3.99Å; P887-W895 HydrophobicContact CB-CG 3.54Å; P887-W895 HydrophobicContact CG-CD2 4.05Å; P887-W895 HydrophobicContact CG-CE3 4.49Å; P887-W895 HydrophobicContact CG-CG 4.31Å; P887-W895 HydrophobicContact CG-CZ2 4.24Å
888E86.5Confident82.1Confident117 Ų11767.2 Ų67.255%0.54735%0.352SS..G310 helixtrans-64.7-10175.962.3-94.1-143.600114.5P886 F896P886-E888 HydrophobicContact CB-CG 3.94Å; P886-E888 WeakPolarHBondContact CB-OE1 3.41Å; P886-E888 VanDerWaalsContact CB-OE2 3.25Å; P886-E888 WeakPolarHBondContact CB-OE2 3.41Å; P886-E888 PolarHBondContact O-N 3.02Å; E888-F896 HydrophobicContact CB-CE2 4.28Å
889Y91.1Very high82.1Confident97 Ų9766 Ų6638%0.3835%0.35SS..G310 helixtrans-90.1-3.8172.8-69.34.1000112.6P886 P887 T891 V909 L910P886-Y889 HydrophobicContact CG-CD2 4.12Å; P886-Y889 HydrophobicContact CG-CE2 4.03Å; P886-Y889 HydrophobicContact CG-CG 4.41Å; P886-Y889 WeakPolarHBondContact O-CB 3.4Å; P886-Y889 PolarHBondContact O-N 3.41Å; P887-Y889 PolarHBondContact O-N 3.19Å; P887-Y889 VanDerWaalsContact O-N 3.13Å; Y889-T891 PolarHBondContact O-N 2.82Å; Y889-V909 CarbonylContact O-C 3.58Å; Y889-V909 WeakPolarHBondContact O-CA 3.37Å; Y889-L910 WeakPolarHBondContact CB-O 3.48Å; Y889-L910 WeakPolarHBondContact CD2-O 3.24Å; Y889-L910 PolarHBondContact O-N 2.78Å
890L90.1Very high83.1Confident9 Ų966.3 Ų66.35%0.04734%0.339CS..BIsolated β-bridgetrans-80.7103.5170.7-56.1-167.9000110.1I874 T885 P887 V893 W895 V907 K908 V909I874-L890 HydrophobicContact CD1-CD2 3.66Å; T885-L890 HydrophobicContact CG2-CD2 4.43Å; P887-L890 WeakPolarHBondContact O-CB 3.06Å; P887-L890 PolarHBondContact O-N 3.1Å; L890-V893 HydrophobicContact CB-CB 4.09Å; L890-V893 HydrophobicContact CD1-CB 4.21Å; L890-V893 VanDerWaalsContact O-O 3.14Å; L890-W895 HydrophobicContact CD1-CE3 3.91Å; L890-W895 HydrophobicContact CD1-CZ3 4.08Å; L890-V907 HydrophobicContact CD1-CG1 4.27Å; L890-V907 HydrophobicContact CD2-CB 4.1Å; L890-V907 HydrophobicContact CD2-CG2 4.12Å; L890-K908 CarbonylContact C-O 3.26Å; L890-K908 VanDerWaalsContact CA-O 3.3Å; L890-K908 WeakPolarHBondContact CA-O 3.48Å; L890-V909 HydrophobicContact CD2-CG2 4.1Å
891T90.8Very high83.5Confident62 Ų6266.7 Ų66.738%0.3834%0.342SS..THydrogen-bonded Turntrans-81.6-18.7-172.965.50000114Y889 K908 L910 E916Y889-T891 PolarHBondContact O-N 2.82Å; T891-K908 PolarHBondContact N-O 3.43Å; T891-K908 WeakPolarHBondContact OG1-CB 3.38Å; T891-L910 HydrophobicContact CG2-CB 3.64Å; T891-E916 WeakPolarHBondContact CB-OE1 3.41Å; T891-E916 HydrophobicContact CG2-CG 4.43Å; T891-E916 WeakPolarHBondContact CG2-OE1 3.3Å; T891-E916 PolarHBondContact OG1-OE1 2.86Å
892N91.6Very high83.6Confident79 Ų7967 Ų6742%0.42235%0.346SS..THydrogen-bonded Turntrans-103.83.917673-36.8000114.3L906 V907 K908N892-L906 PolarHBondContact ND2-O 3.11Å; N892-L906 VanDerWaalsContact ND2-O 3.11Å; N892-V907 WeakPolarHBondContact OD1-CA 3.4Å; N892-K908 HydrophobicContact CB-CB 4.2Å; N892-K908 HydrophobicContact CB-CD 4.12Å; N892-K908 HydrophobicContact CB-CG 4.26Å; N892-K908 PolarHBondContact OD1-N 2.88Å
893V86.2Confident83.6Confident25 Ų2571.7 Ų71.715%0.15237%0.365CS..  trans-132.2113.2179-178.60000108.9L890 W895 P901 V907L890-V893 HydrophobicContact CB-CB 4.09Å; L890-V893 HydrophobicContact CD1-CB 4.21Å; L890-V893 VanDerWaalsContact O-O 3.14Å; V893-W895 VanDerWaalsContact C-N 3.3Å; V893-W895 PolarHBondContact O-N 2.85Å; V893-P901 HydrophobicContact CG1-CB 4.36Å; V893-P901 HydrophobicContact CG1-CG 4.31Å; V893-P901 HydrophobicContact CG2-CB 4.26Å; V893-P901 HydrophobicContact CG2-CG 4.3Å; V893-V907 HydrophobicContact CG2-CG1 4.01Å
894N83.9Confident83.8Confident81 Ų8171.4 Ų71.443%0.43337%0.371SS..  trans-82.479.7175.8-175.1-9.3000110F896 K897 D898N894-F896 PolarHBondContact O-N 2.85Å; N894-F896 VanDerWaalsContact O-N 3.09Å; N894-K897 HydrophobicContact CB-CB 4.27Å; N894-K897 PolarHBondContact O-N 2.8Å; N894-D898 WeakPolarHBondContact CB-OD2 3.46Å; N894-D898 PolarHBondContact O-N 3.12Å
895W80.8Confident84.1Confident33 Ų3368.2 Ų68.213%0.12536%0.357CS..Hα-helixtrans-51.4-36.8-175.3-168.7-75.7000114.3C872 P887 L890 V893 K897 G899 P900 Y921 T924C872-W895 WeakPolarHBondContact SG-CZ3 3.44Å; P887-W895 HydrophobicContact CB-CB 3.85Å; P887-W895 HydrophobicContact CB-CD2 3.59Å; P887-W895 HydrophobicContact CB-CE3 3.99Å; P887-W895 HydrophobicContact CB-CG 3.54Å; P887-W895 HydrophobicContact CG-CD2 4.05Å; P887-W895 HydrophobicContact CG-CE3 4.49Å; P887-W895 HydrophobicContact CG-CG 4.31Å; P887-W895 HydrophobicContact CG-CZ2 4.24Å; L890-W895 HydrophobicContact CD1-CE3 3.91Å; L890-W895 HydrophobicContact CD1-CZ3 4.08Å; V893-W895 VanDerWaalsContact C-N 3.3Å; V893-W895 PolarHBondContact O-N 2.85Å; W895-K897 PolarHBondContact O-N 3.39Å; W895-G899 WeakPolarHBondContact O-CA 3.37Å; W895-G899 PolarHBondContact O-N 3Å; W895-G899 VanDerWaalsContact O-N 3.12Å; W895-P900 HydrophobicContact CE3-CB 4.35Å; W895-P900 HydrophobicContact CH2-CB 3.58Å; W895-P900 HydrophobicContact CZ2-CB 3.79Å; W895-P900 HydrophobicContact CZ3-CB 3.86Å; W895-Y921 AromaticContact CH2-CE2 3.89Å; W895-Y921 HydrophobicContact CH2-CE2 3.89Å; W895-Y921 WeakPolarHBondContact CH2-OH 3.41Å; W895-Y921 AromaticContact CZ3-CE2 3.73Å; W895-Y921 HydrophobicContact CZ3-CE2 3.73Å; W895-T924 HydrophobicContact CH2-CG2 3.55Å; W895-T924 HydrophobicContact CZ2-CG2 3.75Å
896F75Confident84.4Confident164 Ų16473.4 Ų73.472%0.71938%0.384SS*.Hα-helixtrans-72.4-15.6-178.7-62-77.3000114E888 N894E888-F896 HydrophobicContact CB-CE2 4.28Å; N894-F896 PolarHBondContact O-N 2.85Å; N894-F896 VanDerWaalsContact O-N 3.09Å
897K76.4Confident84.7Confident157 Ų15772.3 Ų72.368%0.68338%0.377SS*.Hα-helixtrans-113.7-44.9-178.3-175.4-168.9161.3-109.80112.3N894 W895N894-K897 HydrophobicContact CB-CB 4.27Å; N894-K897 PolarHBondContact O-N 2.8Å; W895-K897 PolarHBondContact O-N 3.39Å
898D79.1Confident85.2Confident100 Ų10075.4 Ų75.454%0.53539%0.389SS..Hα-helixtrans-106.5-9-169.2-47.9-40.9000112.1N894N894-D898 WeakPolarHBondContact CB-OD2 3.46Å; N894-D898 PolarHBondContact O-N 3.12Å
899G75.3Confident85.4Confident21 Ų2169.9 Ų69.922%0.21636%0.363CS..  trans85.4-172.6177.900000115W895W895-G899 WeakPolarHBondContact O-CA 3.37Å; W895-G899 PolarHBondContact O-N 3Å; W895-G899 VanDerWaalsContact O-N 3.12Å
900P80.7Confident85.5Confident80 Ų8068.5 Ų68.552%0.51936%0.362SS..SBendtrans-64.7140.4170.327.5-33.5000110.8W895 Y921W895-P900 HydrophobicContact CE3-CB 4.35Å; W895-P900 HydrophobicContact CH2-CB 3.58Å; W895-P900 HydrophobicContact CZ2-CB 3.79Å; W895-P900 HydrophobicContact CZ3-CB 3.86Å; P900-Y921 WeakPolarHBondContact CB-OH 3.26Å
901P84.8Confident85.1Confident22 Ų2269.9 Ų69.914%0.14337%0.367CS..PPolyproline II helixtrans-72.5164.4173.931.6-31.4000110.9V893 V907 Y921V893-P901 HydrophobicContact CG1-CB 4.36Å; V893-P901 HydrophobicContact CG1-CG 4.31Å; V893-P901 HydrophobicContact CG2-CB 4.26Å; V893-P901 HydrophobicContact CG2-CG 4.3Å; P901-V907 HydrophobicContact CG-CG1 3.89Å; P901-Y921 HydrophobicContact CG-CD1 3.8Å; P901-Y921 HydrophobicContact CG-CD2 3.98Å; P901-Y921 HydrophobicContact CG-CE1 4.18Å; P901-Y921 HydrophobicContact CG-CE2 4.34Å; P901-Y921 HydrophobicContact CG-CG 3.67Å; P901-Y921 VanDerWaalsContact O-CD1 3.23Å; P901-Y921 WeakPolarHBondContact O-CD1 3.15Å; P901-Y921 WeakPolarHBondContact O-CE1 3.37Å
902E82.2Confident84.5Confident163 Ų16369.3 Ų69.376%0.76236%0.362SS*.PPolyproline II helixtrans-66.6146.1176.8-68.7-172.1162.300111.6G904 S905E902-G904 PolarHBondContact O-N 3.17Å; E902-S905 PolarHBondContact N-OG 2.77Å; E902-S905 WeakPolarHBondContact O-CB 3.21Å; E902-S905 PolarHBondContact O-N 3.17Å; E902-S905 PolarHBondContact O-OG 3.14Å
903K82.8Confident84.2Confident101 Ų10169.7 Ų69.744%0.43936%0.364SS..THydrogen-bonded Turntrans-61.5127175.5-176167.4-179.3152.80110.4Y921 E922K903-Y921 WeakPolarHBondContact CA-O 3.34Å; K903-E922 WeakPolarHBondContact CD-O 3.23Å; K903-E922 VanDerWaalsContact CE-O 3.24Å; K903-E922 WeakPolarHBondContact CE-O 3.09Å; K903-E922 VanDerWaalsContact CE-OE2 3.3Å; K903-E922 WeakPolarHBondContact CE-OE2 3.4Å; K903-E922 PolarHBondContact NZ-O 3.23Å; K903-E922 IonicContact NZ-OE2 2.68Å
904G82.9Confident84Confident49 Ų4971.1 Ų71.151%0.50538%0.383SS..THydrogen-bonded Turntrans98.1-10.8-169.300000114.3E902 Y921E902-G904 PolarHBondContact O-N 3.17Å; G904-Y921 PolarHBondContact N-O 2.81Å
905S89.2Confident84.1Confident37 Ų3772.9 Ų72.926%0.25939%0.39SS..  trans-65.6140.3176.7-64.10000112.4E902 V907 T920 Y921E902-S905 PolarHBondContact N-OG 2.77Å; E902-S905 WeakPolarHBondContact O-CB 3.21Å; E902-S905 PolarHBondContact O-N 3.17Å; E902-S905 PolarHBondContact O-OG 3.14Å; S905-V907 PolarHBondContact O-N 3.23Å; S905-T920 WeakPolarHBondContact O-CA 3.47Å; S905-Y921 PolarHBondContact O-N 3.06Å
906L92.4Very high84.5Confident109 Ų10975.7 Ų75.757%0.57141%0.405SS*.EExtended strand (participates in β ladder)trans-76.8120.1172.5-72.2175000111.3N892 M918 G919N892-L906 PolarHBondContact ND2-O 3.11Å; N892-L906 VanDerWaalsContact ND2-O 3.11Å; L906-M918 HydrophobicContact CB-CE 3.78Å; L906-M918 HydrophobicContact CD1-CE 4.34Å; L906-M918 HydrophobicContact CD2-CE 4.32Å; L906-M918 HydrophobicContact CG-CE 4.38Å; L906-G919 CarbonylContact C-O 3.55Å; L906-G919 WeakPolarHBondContact CA-O 3.3Å
907V92.9Very high85.3Confident0 Ų071.6 Ų71.60%039%0.385CS..EExtended strand (participates in β ladder)trans-117.4143.4179.7-630000111.3I874 L890 N892 V893 P901 S905 V909 M918 G919I874-V907 HydrophobicContact CD1-CG2 4.14Å; I874-V907 HydrophobicContact CG1-CG2 4.47Å; I874-V907 HydrophobicContact CG2-CG2 3.94Å; L890-V907 HydrophobicContact CD1-CG1 4.27Å; L890-V907 HydrophobicContact CD2-CB 4.1Å; L890-V907 HydrophobicContact CD2-CG2 4.12Å; N892-V907 WeakPolarHBondContact OD1-CA 3.4Å; V893-V907 HydrophobicContact CG2-CG1 4.01Å; P901-V907 HydrophobicContact CG-CG1 3.89Å; S905-V907 PolarHBondContact O-N 3.23Å; V907-V909 HydrophobicContact CG2-CG2 4.18Å; V907-M918 WeakPolarHBondContact O-CA 3.49Å; V907-G919 PolarHBondContact N-O 3.04Å; V907-G919 PolarHBondContact O-N 3.44Å
908K94Very high86.1Confident78 Ų7868.2 Ų68.234%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-93.9120.8170-75-178157.9-151.30108.9L890 T891 N892 E916 M918L890-K908 CarbonylContact C-O 3.26Å; L890-K908 VanDerWaalsContact CA-O 3.3Å; L890-K908 WeakPolarHBondContact CA-O 3.48Å; T891-K908 PolarHBondContact N-O 3.43Å; T891-K908 WeakPolarHBondContact OG1-CB 3.38Å; N892-K908 HydrophobicContact CB-CB 4.2Å; N892-K908 HydrophobicContact CB-CD 4.12Å; N892-K908 HydrophobicContact CB-CG 4.26Å; N892-K908 PolarHBondContact OD1-N 2.88Å; K908-E916 WeakPolarHBondContact CD-OE2 3.47Å; K908-E916 WeakPolarHBondContact CE-OE2 3.49Å; K908-E916 IonicContact NZ-OE2 2.95Å; K908-E916 PolarHBondContact NZ-OE2 3.02Å; K908-M918 HydrophobicContact CG-SD 3.51Å; K908-M918 VanDerWaalsContact CG-SD 3.51Å
909V92Very high86.6Confident0 Ų063.5 Ų63.50%035%0.347CS..EExtended strand (participates in β ladder)trans-107.4113.6-178.5-170.50000109.5I874 F876 T885 Y889 L890 V907 W911 E916 Y917I874-V909 HydrophobicContact CD1-CG1 4.44Å; I874-V909 HydrophobicContact CD1-CG2 3.43Å; I874-V909 VanDerWaalsContact CD1-CG2 3.43Å; I874-V909 HydrophobicContact CG2-CG2 4.14Å; F876-V909 HydrophobicContact CE1-CB 4.2Å; F876-V909 HydrophobicContact CE1-CG2 3.93Å; F876-V909 HydrophobicContact CZ-CB 4.27Å; F876-V909 HydrophobicContact CZ-CG1 4.44Å; F876-V909 HydrophobicContact CZ-CG2 4.01Å; T885-V909 HydrophobicContact CG2-CG1 3.75Å; Y889-V909 CarbonylContact O-C 3.58Å; Y889-V909 WeakPolarHBondContact O-CA 3.37Å; L890-V909 HydrophobicContact CD2-CG2 4.1Å; V907-V909 HydrophobicContact CG2-CG2 4.18Å; V909-W911 HydrophobicContact CG1-CE3 3.9Å; V909-W911 HydrophobicContact CG1-CZ3 4.38Å; V909-W911 PolarHBondContact O-N 3.41Å; V909-E916 CarbonylContact O-C 3.59Å; V909-E916 WeakPolarHBondContact O-CA 2.98Å; V909-Y917 PolarHBondContact N-O 2.78Å; V909-Y917 PolarHBondContact O-N 2.78Å
910L91.6Very high87.4Confident69 Ų6964.4 Ų64.436%0.36135%0.349SS..EExtended strand (participates in β ladder)trans-68.3118.7165.6-177.163.9000108.5Y889 T891 G914Y889-L910 WeakPolarHBondContact CB-O 3.48Å; Y889-L910 WeakPolarHBondContact CD2-O 3.24Å; Y889-L910 PolarHBondContact O-N 2.78Å; T891-L910 HydrophobicContact CG2-CB 3.64Å; L910-G914 WeakPolarHBondContact CD1-O 3.1Å
911W82.9Confident87.9Confident38 Ų3860.9 Ų60.914%0.14433%0.325CS..  trans-115.4159.6-172.5-159.5-132.2000108.3R715 V909 D913 G914 M915 Y917R715-W911 HydrophobicContact CG-CG 4.48Å; R715-W911 PolarHBondContact NH2-O 2.76Å; V909-W911 HydrophobicContact CG1-CE3 3.9Å; V909-W911 HydrophobicContact CG1-CZ3 4.38Å; V909-W911 PolarHBondContact O-N 3.41Å; W911-D913 VanDerWaalsContact C-N 3.27Å; W911-D913 PolarHBondContact O-N 3.42Å; W911-G914 PolarHBondContact O-N 3.02Å; W911-M915 PolarHBondContact N-O 3.43Å; W911-Y917 HydrophobicContact CB-CD2 3.53Å; W911-Y917 HydrophobicContact CB-CE2 3.73Å; W911-Y917 AromaticContact CD1-CD2 3.87Å; W911-Y917 AromaticContact CD1-CE2 3.66Å; W911-Y917 AromaticContact CG-CD2 3.98Å; W911-Y917 HydrophobicContact CG-CD2 3.98Å; W911-Y917 HydrophobicContact CG-CE2 4.08Å
912D78.9Confident87.8Confident50 Ų5063 Ų6327%0.26733%0.333SS..THydrogen-bonded Turntrans-71.46.7-159.265.830000119.5N714 R715N714-D912 WeakPolarHBondContact CA-OD2 3.49Å; N714-D912 PolarHBondContact N-OD2 2.76Å; R715-D912 WeakPolarHBondContact CD-OD1 3.2Å; R715-D912 WeakPolarHBondContact CG-OD1 3.37Å; R715-D912 IonicContact CZ-OD1 3.31Å; R715-D912 PolarHBondContact N-OD2 3.44Å; R715-D912 IonicContact NE-OD1 2.85Å; R715-D912 PolarHBondContact NE-OD1 2.94Å
913D83.7Confident87.8Confident87 Ų8755.5 Ų55.547%0.46530%0.3SS..THydrogen-bonded Turntrans-93.3-2.716478-7.4000113.3R715 W911 M915 Y917R715-D913 VanDerWaalsContact CZ-CB 3.47Å; R715-D913 VanDerWaalsContact CZ-N 3.33Å; R715-D913 IonicContact CZ-OD1 3.59Å; R715-D913 IonicContact CZ-OD2 2.67Å; R715-D913 IonicContact NH1-OD1 3.85Å; R715-D913 PolarHBondContact NH1-OD1 2.74Å; R715-D913 IonicContact NH1-OD2 2.66Å; R715-D913 PolarHBondContact NH1-OD2 3.36Å; R715-D913 IonicContact NH2-OD1 3.71Å; R715-D913 PolarHBondContact NH2-OD1 2.91Å; R715-D913 IonicContact NH2-OD2 2.72Å; W911-D913 VanDerWaalsContact C-N 3.27Å; W911-D913 PolarHBondContact O-N 3.42Å; D913-M915 WeakPolarHBondContact OD1-CB 3.22Å; D913-M915 VanDerWaalsContact OD1-CG 3.27Å; D913-M915 WeakPolarHBondContact OD1-CG 3.31Å; D913-M915 PolarHBondContact OD1-N 3.07Å; D913-Y917 PolarHBondContact OD2-OH 2.88Å
914G81.7Confident87.5Confident54 Ų5452.9 Ų52.956%0.55729%0.292SS*.SBendtrans92.7-2.1-177.500000115.6L910 W911L910-G914 WeakPolarHBondContact CD1-O 3.1Å; W911-G914 PolarHBondContact O-N 3.02Å
915M86.7Confident86.8Confident119 Ų11952 Ų5259%0.58628%0.277SS*.  trans-88.1146.9176.2-59.8-67.6-179.200112.4W911 D913 Y917W911-M915 PolarHBondContact N-O 3.43Å; D913-M915 WeakPolarHBondContact OD1-CB 3.22Å; D913-M915 VanDerWaalsContact OD1-CG 3.27Å; D913-M915 WeakPolarHBondContact OD1-CG 3.31Å; D913-M915 PolarHBondContact OD1-N 3.07Å; M915-Y917 HydrophobicContact CB-CE2 3.82Å
916E90.2Very high85.6Confident92 Ų9252.5 Ų52.543%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-85.9131.3169.1-59.9-172.9145.200110.8T891 K908 V909T891-E916 WeakPolarHBondContact CB-OE1 3.41Å; T891-E916 HydrophobicContact CG2-CG 4.43Å; T891-E916 WeakPolarHBondContact CG2-OE1 3.3Å; T891-E916 PolarHBondContact OG1-OE1 2.86Å; K908-E916 WeakPolarHBondContact CD-OE2 3.47Å; K908-E916 WeakPolarHBondContact CE-OE2 3.49Å; K908-E916 IonicContact NZ-OE2 2.95Å; K908-E916 PolarHBondContact NZ-OE2 3.02Å; V909-E916 CarbonylContact O-C 3.59Å; V909-E916 WeakPolarHBondContact O-CA 2.98Å
917Y90.7Very high84.5Confident77 Ų7748.7 Ų48.730%0.30226%0.26SS..EExtended strand (participates in β ladder)trans-114.9132.7172.7-66.2-94.2000110.5R715 V909 W911 D913 M915R715-Y917 PolarHBondContact NH1-OH 3.34Å; V909-Y917 PolarHBondContact N-O 2.78Å; V909-Y917 PolarHBondContact O-N 2.78Å; W911-Y917 HydrophobicContact CB-CD2 3.53Å; W911-Y917 HydrophobicContact CB-CE2 3.73Å; W911-Y917 AromaticContact CD1-CD2 3.87Å; W911-Y917 AromaticContact CD1-CE2 3.66Å; W911-Y917 AromaticContact CG-CD2 3.98Å; W911-Y917 HydrophobicContact CG-CD2 3.98Å; W911-Y917 HydrophobicContact CG-CE2 4.08Å; D913-Y917 PolarHBondContact OD2-OH 2.88Å; M915-Y917 HydrophobicContact CB-CE2 3.82Å
918M93.5Very high83.8Confident87 Ų8751.8 Ų51.843%0.42927%0.274SS..EExtended strand (participates in β ladder)trans-72127.8169.7-67.8-61.8-58.400109.9F876 P877 L906 V907 K908F876-M918 WeakPolarHBondContact CD1-O 3.41Å; P877-M918 WeakPolarHBondContact CD-O 3.42Å; L906-M918 HydrophobicContact CB-CE 3.78Å; L906-M918 HydrophobicContact CD1-CE 4.34Å; L906-M918 HydrophobicContact CD2-CE 4.32Å; L906-M918 HydrophobicContact CG-CE 4.38Å; V907-M918 WeakPolarHBondContact O-CA 3.49Å; K908-M918 HydrophobicContact CG-SD 3.51Å; K908-M918 VanDerWaalsContact CG-SD 3.51Å
919G89.9Confident83.3Confident0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-136.6172169.600000111.3S875 L906 V907S875-G919 CarbonylContact O-C 3.57Å; S875-G919 VanDerWaalsContact O-CA 3.24Å; S875-G919 WeakPolarHBondContact O-CA 3.47Å; L906-G919 CarbonylContact C-O 3.55Å; L906-G919 WeakPolarHBondContact CA-O 3.3Å; V907-G919 PolarHBondContact N-O 3.04Å; V907-G919 PolarHBondContact O-N 3.44Å
920T92Very high83.2Confident41 Ų4150.7 Ų50.725%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-106.6129.1175-63.50000108.4I874 S875 S905I874-T920 CarbonylContact C-O 3.39Å; I874-T920 VanDerWaalsContact CA-O 3.32Å; I874-T920 WeakPolarHBondContact CA-O 3.24Å; I874-T920 WeakPolarHBondContact CG2-O 3.22Å; S875-T920 PolarHBondContact N-O 3.41Å; S875-T920 PolarHBondContact O-N 2.69Å; S875-T920 WeakPolarHBondContact OG-CB 3.42Å; S875-T920 PolarHBondContact OG-O 2.67Å; S905-T920 WeakPolarHBondContact O-CA 3.47Å
921Y91.1Very high83Confident5 Ų547.4 Ų47.42%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-76.2127.6179.8175.7-100.9000111.4C872 W895 P900 P901 K903 G904 S905 G923C872-Y921 HydrophobicContact CB-CD2 4.32Å; C872-Y921 HydrophobicContact CB-CE2 4.13Å; W895-Y921 AromaticContact CH2-CE2 3.89Å; W895-Y921 HydrophobicContact CH2-CE2 3.89Å; W895-Y921 WeakPolarHBondContact CH2-OH 3.41Å; W895-Y921 AromaticContact CZ3-CE2 3.73Å; W895-Y921 HydrophobicContact CZ3-CE2 3.73Å; P900-Y921 WeakPolarHBondContact CB-OH 3.26Å; P901-Y921 HydrophobicContact CG-CD1 3.8Å; P901-Y921 HydrophobicContact CG-CD2 3.98Å; P901-Y921 HydrophobicContact CG-CE1 4.18Å; P901-Y921 HydrophobicContact CG-CE2 4.34Å; P901-Y921 HydrophobicContact CG-CG 3.67Å; P901-Y921 VanDerWaalsContact O-CD1 3.23Å; P901-Y921 WeakPolarHBondContact O-CD1 3.15Å; P901-Y921 WeakPolarHBondContact O-CE1 3.37Å; K903-Y921 WeakPolarHBondContact CA-O 3.34Å; G904-Y921 PolarHBondContact N-O 2.81Å; S905-Y921 PolarHBondContact O-N 3.06Å; Y921-G923 WeakPolarHBondContact CE2-O 3.3Å; Y921-G923 VanDerWaalsContact CZ-C 3.48Å; Y921-G923 VanDerWaalsContact CZ-CA 3.5Å
922E83.1Confident83.3Confident67 Ų6749.4 Ų49.431%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-107.6-2.3-172.8-69.4-68.7171.800113.8R873 S875 K903R873-E922 HydrophobicContact CB-CB 3.9Å; R873-E922 PolarHBondContact O-N 3.39Å; S875-E922 WeakPolarHBondContact CB-OE1 3.24Å; S875-E922 WeakPolarHBondContact OG-CG 3.48Å; S875-E922 PolarHBondContact OG-OE1 3.2Å; K903-E922 WeakPolarHBondContact CD-O 3.23Å; K903-E922 VanDerWaalsContact CE-O 3.24Å; K903-E922 WeakPolarHBondContact CE-O 3.09Å; K903-E922 VanDerWaalsContact CE-OE2 3.3Å; K903-E922 WeakPolarHBondContact CE-OE2 3.4Å; K903-E922 PolarHBondContact NZ-O 3.23Å; K903-E922 IonicContact NZ-OE2 2.68Å
923G82.1Confident83.6Confident5 Ų547.3 Ų47.35%0.05225%0.252CS..EExtended strand (participates in β ladder)trans117.1-163.2-172.500000112.7R873 Y921R873-G923 WeakPolarHBondContact CB-O 3.38Å; R873-G923 PolarHBondContact N-O 3.07Å; Y921-G923 WeakPolarHBondContact CE2-O 3.3Å; Y921-G923 VanDerWaalsContact CZ-C 3.48Å; Y921-G923 VanDerWaalsContact CZ-CA 3.5Å
924T77.3Confident83.3Confident47 Ų4749 Ų4929%0.28826%0.258SS..EExtended strand (participates in β ladder)trans-108.3165.7176.246.40000112.9L870 Y871 R873 W895L870-T924 HydrophobicContact CD2-CG2 4.02Å; Y871-T924 CarbonylContact O-C 3.49Å; Y871-T924 WeakPolarHBondContact O-CA 3.48Å; R873-T924 WeakPolarHBondContact CD-O 3.03Å; W895-T924 HydrophobicContact CH2-CG2 3.55Å; W895-T924 HydrophobicContact CZ2-CG2 3.75Å
925T67.8Low83.1Confident30 Ų3050.5 Ų50.518%0.18426%0.26CS..PPolyproline II helixtrans-62.2147.5159.247.90000111.4Y871 S883 E927Y871-T925 HydrophobicContact CD2-CG2 4.46Å; Y871-T925 PolarHBondContact N-OG1 3.27Å; Y871-T925 PolarHBondContact O-N 3.32Å; Y871-T925 PolarHBondContact O-OG1 2.81Å; S883-T925 WeakPolarHBondContact O-CG2 3.21Å; T925-E927 PolarHBondContact O-N 3.33Å
926S63.7Low82.8Confident48 Ų4846.9 Ų46.934%0.33625%0.252SS..PPolyproline II helixtrans-56121.1169.3-37.60000110E944S926-E944 WeakPolarHBondContact CB-OE1 3.34Å; S926-E944 PolarHBondContact OG-OE1 3.05Å
927E68.9Low82.6Confident29 Ų2946.5 Ų46.514%0.13625%0.25CS..PPolyproline II helixtrans-62.7148.3172.2-50.8-172.3128.500109.6R866 L870 T925 W929 N942 R943R866-E927 VanDerWaalsContact CD-CD 3.41Å; R866-E927 WeakPolarHBondContact CD-OE1 3.46Å; R866-E927 HydrophobicContact CG-CB 4.23Å; R866-E927 IonicContact CZ-OE1 2.76Å; R866-E927 IonicContact NE-OE1 3.94Å; R866-E927 IonicContact NH1-OE1 3.1Å; R866-E927 PolarHBondContact NH1-OE1 3.12Å; L870-E927 HydrophobicContact CD2-CG 3.54Å; L870-E927 HydrophobicContact CG-CG 4.18Å; T925-E927 PolarHBondContact O-N 3.33Å; E927-W929 PolarHBondContact OE2-NE1 2.84Å; E927-N942 CarbonylContact O-C 3.48Å; E927-N942 VanDerWaalsContact O-CA 3.31Å; E927-N942 WeakPolarHBondContact O-CA 3.46Å; E927-R943 HydrophobicContact CB-CB 4.04Å; E927-R943 WeakPolarHBondContact O-CB 3.47Å; E927-R943 PolarHBondContact O-N 3.48Å
928Q78.3Confident82.5Confident65 Ų6547.2 Ų47.230%0.30426%0.259SS..EExtended strand (participates in β ladder)trans-110.6139.4165.6-66.4-168.3-35.400108.6R866 V867 T868 V940 F941 N942R866-Q928 CarbonylContact C-O 3.54Å; R866-Q928 WeakPolarHBondContact CA-O 3.5Å; R866-Q928 WeakPolarHBondContact CG-O 3.48Å; V867-Q928 HydrophobicContact CB-CB 4.25Å; V867-Q928 PolarHBondContact N-O 3.01Å; T868-Q928 HydrophobicContact CG2-CB 3.81Å; T868-Q928 HydrophobicContact CG2-CG 3.81Å; T868-Q928 PolarHBondContact OG1-N 3.29Å; Q928-V940 HydrophobicContact CB-CG1 3.78Å; Q928-V940 HydrophobicContact CG-CG1 4.36Å; Q928-F941 CarbonylContact C-O 3.54Å; Q928-F941 WeakPolarHBondContact CA-O 3.32Å; Q928-N942 WeakPolarHBondContact CG-OD1 3.41Å; Q928-N942 PolarHBondContact NE2-OD1 3.21Å
929W83.6Confident82.1Confident11 Ų1147.1 Ų47.14%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-127.3137.5179-77.773.4000110.1V842 A863 R865 R866 E927 V931 V940 F941 F946V842-W929 HydrophobicContact CB-CD2 4.27Å; V842-W929 HydrophobicContact CB-CH2 3.83Å; V842-W929 HydrophobicContact CB-CZ2 3.49Å; V842-W929 VanDerWaalsContact CB-CZ2 3.49Å; V842-W929 HydrophobicContact CB-CZ3 4.31Å; V842-W929 HydrophobicContact CG1-CD2 3.81Å; V842-W929 HydrophobicContact CG1-CE3 3.75Å; V842-W929 HydrophobicContact CG1-CH2 3.77Å; V842-W929 HydrophobicContact CG1-CZ2 3.8Å; V842-W929 HydrophobicContact CG1-CZ3 3.72Å; V842-W929 HydrophobicContact CG2-CZ2 4.42Å; V842-W929 WeakPolarHBondContact O-CH2 3.45Å; V842-W929 VanDerWaalsContact O-CZ2 3.26Å; V842-W929 WeakPolarHBondContact O-CZ2 3.42Å; A863-W929 HydrophobicContact CB-CE3 3.9Å; A863-W929 HydrophobicContact CB-CZ3 4.2Å; R865-W929 CarbonylContact O-C 3.51Å; R865-W929 WeakPolarHBondContact O-CA 3.41Å; R866-W929 HydrophobicContact CB-CD2 4.11Å; R866-W929 HydrophobicContact CB-CH2 4.19Å; R866-W929 HydrophobicContact CB-CZ2 3.69Å; R866-W929 HydrophobicContact CG-CD2 4.48Å; R866-W929 HydrophobicContact CG-CZ2 4.2Å; E927-W929 PolarHBondContact OE2-NE1 2.84Å; W929-V931 HydrophobicContact CB-CG2 4.07Å; W929-V940 CarbonylContact O-C 3.45Å; W929-V940 VanDerWaalsContact O-CA 3.31Å; W929-V940 WeakPolarHBondContact O-CA 3.24Å; W929-F941 PolarHBondContact N-O 2.66Å; W929-F941 PolarHBondContact O-N 3.44Å; W929-F946 HydrophobicContact CB-CE1 3.64Å; W929-F946 HydrophobicContact CB-CZ 3.68Å; W929-F946 AromaticContact CD1-CE1 3.83Å; W929-F946 AromaticContact CD1-CZ 3.43Å; W929-F946 VanDerWaalsContact CD1-CZ 3.43Å; W929-F946 HydrophobicContact CD2-CZ 4.24Å; W929-F946 AromaticContact CG-CE1 3.88Å; W929-F946 HydrophobicContact CG-CE1 3.88Å; W929-F946 AromaticContact CG-CZ 3.48Å; W929-F946 HydrophobicContact CG-CZ 3.48Å; W929-F946 VanDerWaalsContact CG-CZ 3.48Å
930E89.6Confident81.9Confident44 Ų4450.4 Ų50.421%0.20627%0.273CS..EExtended strand (participates in β ladder)trans-72.2126.6159.7-94.3169.4-161.600107I864 R865 V867 I938 R939 V940I864-E930 WeakPolarHBondContact CA-O 3.34Å; I864-E930 HydrophobicContact CB-CB 4.14Å; I864-E930 WeakPolarHBondContact CB-O 3.32Å; I864-E930 HydrophobicContact CD1-CB 4.36Å; I864-E930 PolarHBondContact N-O 3.06Å; R865-E930 HydrophobicContact CG-CB 4.12Å; R865-E930 IonicContact CZ-OE1 2.7Å; R865-E930 IonicContact CZ-OE2 2.69Å; R865-E930 PolarHBondContact N-O 3.3Å; R865-E930 IonicContact NE-OE1 3.63Å; R865-E930 IonicContact NE-OE2 3.76Å; R865-E930 PolarHBondContact NE-OE2 3.36Å; R865-E930 VanDerWaalsContact NH2-CD 3.26Å; R865-E930 IonicContact NH2-OE1 3.17Å; R865-E930 PolarHBondContact NH2-OE1 2.91Å; R865-E930 IonicContact NH2-OE2 3.75Å; R865-E930 PolarHBondContact NH2-OE2 3.34Å; R865-E930 PolarHBondContact O-N 3.35Å; V867-E930 HydrophobicContact CG2-CB 4.01Å; V867-E930 HydrophobicContact CG2-CG 3.7Å; V867-E930 VanDerWaalsContact CG2-N 3.31Å; E930-I938 HydrophobicContact CB-CG2 4.08Å; E930-I938 HydrophobicContact CG-CG2 3.89Å; E930-R939 WeakPolarHBondContact CA-O 3.38Å; E930-V940 HydrophobicContact CG-CG2 4.08Å
931V86.8Confident81.1Confident0 Ų048.8 Ų48.80%026%0.263CS..EExtended strand (participates in β ladder)trans-130130.4-179.5-161.80000108.4V848 V850 A861 I862 W929 R939 F941 F946V848-V931 HydrophobicContact CG2-CG1 3.32Å; V850-V931 HydrophobicContact CG1-CB 4.24Å; V850-V931 HydrophobicContact CG1-CG1 3.83Å; V850-V931 HydrophobicContact CG1-CG2 4.36Å; A861-V931 HydrophobicContact CB-CG1 3.43Å; A861-V931 VanDerWaalsContact CB-CG1 3.43Å; I862-V931 VanDerWaalsContact C-CG1 3.46Å; I862-V931 CarbonylContact O-C 3.58Å; I862-V931 VanDerWaalsContact O-CA 3.3Å; I862-V931 WeakPolarHBondContact O-CA 3.38Å; I862-V931 WeakPolarHBondContact O-CG1 3.19Å; W929-V931 HydrophobicContact CB-CG2 4.07Å; V931-R939 PolarHBondContact N-O 3.05Å; V931-R939 PolarHBondContact O-N 3.05Å; V931-F941 HydrophobicContact CB-CD2 3.85Å; V931-F941 HydrophobicContact CB-CE2 4.27Å; V931-F941 HydrophobicContact CG2-CB 4.29Å; V931-F941 HydrophobicContact CG2-CD2 3.78Å; V931-F941 HydrophobicContact CG2-CG 4.46Å; V931-F946 HydrophobicContact CG2-CD1 4.46Å
932Q89.7Confident80.1Confident80 Ų8051 Ų5137%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-84.5114.6174.9-169.2173.619.800109.5A861 I862 I864 I938A861-Q932 CarbonylContact C-O 3.55Å; A861-Q932 WeakPolarHBondContact CA-O 3.42Å; A861-Q932 VanDerWaalsContact CB-O 3.23Å; A861-Q932 WeakPolarHBondContact CB-O 3.5Å; I862-Q932 PolarHBondContact N-O 2.85Å; I862-Q932 PolarHBondContact O-N 3.41Å; I864-Q932 HydrophobicContact CD1-CB 3.89Å; I864-Q932 HydrophobicContact CG1-CB 4.12Å; Q932-I938 HydrophobicContact CG-CG1 4.44Å
933L85.4Confident79.5Confident5 Ų549 Ų493%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-68.9159.3175.4-59.2-176.4000111.5V850 Q852 A861 S935 G936 E937 R939 F941V850-L933 HydrophobicContact CG2-CD2 3.53Å; Q852-L933 HydrophobicContact CG-CD2 4.42Å; A861-L933 HydrophobicContact CB-CD2 4.15Å; L933-S935 WeakPolarHBondContact CB-OG 3.49Å; L933-S935 PolarHBondContact O-N 3.15Å; L933-G936 WeakPolarHBondContact O-CA 3.26Å; L933-G936 PolarHBondContact O-N 2.81Å; L933-E937 WeakPolarHBondContact CB-O 3.44Å; L933-E937 HydrophobicContact CD1-CB 4.29Å; L933-E937 WeakPolarHBondContact CG-O 3.3Å; L933-E937 PolarHBondContact N-O 3.4Å; L933-R939 HydrophobicContact CD1-CG 4.28Å; L933-F941 HydrophobicContact CD2-CE2 3.77Å; L933-F941 HydrophobicContact CD2-CZ 3.86Å
934E77.4Confident78.5Confident124 Ų12454.5 Ų54.558%0.57929%0.289SS*.THydrogen-bonded Turntrans-50.2-26.8167.6-87.3-177.4-162.500114S860 G936S860-E934 VanDerWaalsContact CB-OE1 3.31Å; S860-E934 WeakPolarHBondContact CB-OE1 3.41Å; S860-E934 PolarHBondContact O-N 3.31Å; E934-G936 PolarHBondContact O-N 2.71Å
935S78.4Confident77.9Confident85 Ų8555.2 Ų55.259%0.59429%0.289SS*.THydrogen-bonded Turntrans-72.6-5.5175.257.90000114.2L933 E937L933-S935 WeakPolarHBondContact CB-OG 3.49Å; L933-S935 PolarHBondContact O-N 3.15Å; S935-E937 PolarHBondContact O-N 2.9Å; S935-E937 WeakPolarHBondContact OG-CB 3.34Å; S935-E937 PolarHBondContact OG-N 3.48Å
936G79.4Confident77.8Confident42 Ų4253.8 Ų53.843%0.43328%0.28SS..SBendtrans79.7-8.3-168.500000114.1L933 E934L933-G936 WeakPolarHBondContact O-CA 3.26Å; L933-G936 PolarHBondContact O-N 2.81Å; E934-G936 PolarHBondContact O-N 2.71Å
937E85.7Confident77.9Confident84 Ų8456.2 Ų56.239%0.39328%0.283SS..  trans-71130178.5-172.1-174.7176.800110.9L933 S935 R939L933-E937 WeakPolarHBondContact CB-O 3.44Å; L933-E937 HydrophobicContact CD1-CB 4.29Å; L933-E937 WeakPolarHBondContact CG-O 3.3Å; L933-E937 PolarHBondContact N-O 3.4Å; S935-E937 PolarHBondContact O-N 2.9Å; S935-E937 WeakPolarHBondContact OG-CB 3.34Å; S935-E937 PolarHBondContact OG-N 3.48Å; E937-R939 VanDerWaalsContact CD-NE 3.25Å; E937-R939 HydrophobicContact CG-CG 4.23Å; E937-R939 IonicContact OE1-CZ 3.22Å; E937-R939 IonicContact OE1-NE 2.69Å; E937-R939 PolarHBondContact OE1-NE 3.29Å; E937-R939 IonicContact OE1-NH2 3.33Å; E937-R939 PolarHBondContact OE1-NH2 2.75Å; E937-R939 IonicContact OE2-CZ 2.72Å; E937-R939 IonicContact OE2-NE 3.18Å; E937-R939 PolarHBondContact OE2-NE 2.74Å; E937-R939 IonicContact OE2-NH2 2.81Å; E937-R939 PolarHBondContact OE2-NH2 3.37Å
938I88.5Confident77.7Confident92 Ų9256.5 Ų56.547%0.47229%0.286SS..EExtended strand (participates in β ladder)trans-90.5125.2174.2-57.8177.2000108.7I864 E930 Q932I864-I938 HydrophobicContact CD1-CB 4.23Å; I864-I938 HydrophobicContact CD1-CD1 3.66Å; I864-I938 HydrophobicContact CD1-CG1 3.69Å; I864-I938 HydrophobicContact CD1-CG2 3.6Å; E930-I938 HydrophobicContact CB-CG2 4.08Å; E930-I938 HydrophobicContact CG-CG2 3.89Å; Q932-I938 HydrophobicContact CG-CG1 4.44Å
939R86.1Confident76.6Confident86 Ų8656.3 Ų56.333%0.32529%0.286SS..EExtended strand (participates in β ladder)trans-130.9153.9173.9-71.4-165-178.8163.711.8111.8E930 V931 L933 E937 F941E930-R939 WeakPolarHBondContact CA-O 3.38Å; V931-R939 PolarHBondContact N-O 3.05Å; V931-R939 PolarHBondContact O-N 3.05Å; L933-R939 HydrophobicContact CD1-CG 4.28Å; E937-R939 VanDerWaalsContact CD-NE 3.25Å; E937-R939 HydrophobicContact CG-CG 4.23Å; E937-R939 IonicContact OE1-CZ 3.22Å; E937-R939 IonicContact OE1-NE 2.69Å; E937-R939 PolarHBondContact OE1-NE 3.29Å; E937-R939 IonicContact OE1-NH2 3.33Å; E937-R939 PolarHBondContact OE1-NH2 2.75Å; E937-R939 IonicContact OE2-CZ 2.72Å; E937-R939 IonicContact OE2-NE 3.18Å; E937-R939 PolarHBondContact OE2-NE 2.74Å; E937-R939 IonicContact OE2-NH2 2.81Å; E937-R939 PolarHBondContact OE2-NH2 3.37Å; R939-F941 HydrophobicContact CB-CD2 4.23Å; R939-F941 HydrophobicContact CB-CE2 3.62Å; R939-F941 HydrophobicContact CB-CZ 4.14Å
940V84.8Confident75Confident68 Ų6861 Ų6141%0.41232%0.317SS..EExtended strand (participates in β ladder)trans-88.3126.5172.6-1750000109.3V867 Q928 W929 E930V867-V940 HydrophobicContact CG2-CG1 4.4Å; V867-V940 HydrophobicContact CG2-CG2 4.4Å; Q928-V940 HydrophobicContact CB-CG1 3.78Å; Q928-V940 HydrophobicContact CG-CG1 4.36Å; W929-V940 CarbonylContact O-C 3.45Å; W929-V940 VanDerWaalsContact O-CA 3.31Å; W929-V940 WeakPolarHBondContact O-CA 3.24Å; E930-V940 HydrophobicContact CG-CG2 4.08Å
941F75.1Confident72.8Confident8 Ų865.7 Ų65.74%0.03534%0.337CS..EExtended strand (participates in β ladder)trans-123.3139.7175.1-69.1-87.6000110.2V850 Q851 Q852 Q928 W929 V931 L933 R939 Q945 F946V850-F941 HydrophobicContact CB-CD1 4.27Å; V850-F941 HydrophobicContact CB-CD2 4.42Å; V850-F941 HydrophobicContact CB-CE1 4Å; V850-F941 HydrophobicContact CB-CE2 4.13Å; V850-F941 HydrophobicContact CB-CG 4.48Å; V850-F941 HydrophobicContact CB-CZ 3.93Å; V850-F941 HydrophobicContact CG1-CD2 3.96Å; V850-F941 HydrophobicContact CG1-CE2 3.98Å; V850-F941 HydrophobicContact CG1-CG 4.22Å; V850-F941 HydrophobicContact CG1-CZ 4.29Å; V850-F941 HydrophobicContact CG2-CE1 4.49Å; V850-F941 HydrophobicContact CG2-CE2 4.32Å; V850-F941 HydrophobicContact CG2-CZ 4.04Å; Q851-F941 WeakPolarHBondContact O-CE1 3.39Å; Q852-F941 HydrophobicContact CG-CZ 4.41Å; Q928-F941 CarbonylContact C-O 3.54Å; Q928-F941 WeakPolarHBondContact CA-O 3.32Å; W929-F941 PolarHBondContact N-O 2.66Å; W929-F941 PolarHBondContact O-N 3.44Å; V931-F941 HydrophobicContact CB-CD2 3.85Å; V931-F941 HydrophobicContact CB-CE2 4.27Å; V931-F941 HydrophobicContact CG2-CB 4.29Å; V931-F941 HydrophobicContact CG2-CD2 3.78Å; V931-F941 HydrophobicContact CG2-CG 4.46Å; L933-F941 HydrophobicContact CD2-CE2 3.77Å; L933-F941 HydrophobicContact CD2-CZ 3.86Å; R939-F941 HydrophobicContact CB-CD2 4.23Å; R939-F941 HydrophobicContact CB-CE2 3.62Å; R939-F941 HydrophobicContact CB-CZ 4.14Å; F941-Q945 HydrophobicContact CB-CB 4.26Å; F941-Q945 HydrophobicContact CD1-CB 4.02Å; F941-F946 HydrophobicContact CB-CD1 3.83Å; F941-F946 HydrophobicContact CB-CE1 4.49Å
942N71.2Confident70.4Confident50 Ų5069.4 Ų69.427%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-65.5152.6165.1-59.7-10.6000109.5E927 Q928 E944 Q945 F946E927-N942 CarbonylContact O-C 3.48Å; E927-N942 VanDerWaalsContact O-CA 3.31Å; E927-N942 WeakPolarHBondContact O-CA 3.46Å; Q928-N942 WeakPolarHBondContact CG-OD1 3.41Å; Q928-N942 PolarHBondContact NE2-OD1 3.21Å; N942-E944 PolarHBondContact O-N 2.95Å; N942-E944 VanDerWaalsContact O-N 3.1Å; N942-Q945 HydrophobicContact CB-CG 4.14Å; N942-Q945 WeakPolarHBondContact O-CA 3.27Å; N942-Q945 WeakPolarHBondContact O-CB 3.18Å; N942-Q945 PolarHBondContact O-N 2.67Å; N942-F946 VanDerWaalsContact O-CD1 3.22Å; N942-F946 WeakPolarHBondContact O-CD1 3.4Å
943R70Confident67.6Low25 Ų2573.8 Ų73.89%0.09438%0.378CS..G310 helixtrans-58-25.5179.2-175.259.5-173.283.7-4.9113.9E927 Q945 F946E927-R943 HydrophobicContact CB-CB 4.04Å; E927-R943 WeakPolarHBondContact O-CB 3.47Å; E927-R943 PolarHBondContact O-N 3.48Å; R943-Q945 VanDerWaalsContact C-N 3.35Å; R943-F946 HydrophobicContact CB-CE1 4.46Å; R943-F946 PolarHBondContact NH1-O 2.82Å
944E60.7Low65.1Low121 Ų12181.2 Ų81.257%0.56541%0.407SS*.G310 helixtrans-72.3-26.4173.5-59.5163.1-113.400112.9S926 N942 F946S926-E944 WeakPolarHBondContact CB-OE1 3.34Å; S926-E944 PolarHBondContact OG-OE1 3.05Å; N942-E944 PolarHBondContact O-N 2.95Å; N942-E944 VanDerWaalsContact O-N 3.1Å; E944-F946 VanDerWaalsContact C-N 3.35Å
945Q65.1Low62.9Low62 Ų6279.4 Ų79.429%0.2941%0.407SS..G310 helixtrans-89-0.7-178-59177.2-8500112.6V850 Q851 F941 N942 R943V850-Q945 CarbonylContact C-O 3.54Å; V850-Q945 WeakPolarHBondContact CA-O 3.46Å; Q851-Q945 PolarHBondContact N-O 2.79Å; F941-Q945 HydrophobicContact CB-CB 4.26Å; F941-Q945 HydrophobicContact CD1-CB 4.02Å; N942-Q945 HydrophobicContact CB-CG 4.14Å; N942-Q945 WeakPolarHBondContact O-CA 3.27Å; N942-Q945 WeakPolarHBondContact O-CB 3.18Å; N942-Q945 PolarHBondContact O-N 2.67Å; R943-Q945 VanDerWaalsContact C-N 3.35Å
946F66.4Low60.9Low0 Ų081.9 Ų81.90%041%0.414CS..EExtended strand (participates in β ladder)trans-147.5151.917876-94.9000114.5V842 V848 M849 V850 W929 V931 F941 N942 R943 E944V842-F946 HydrophobicContact CG1-CE2 3.96Å; V842-F946 HydrophobicContact CG1-CZ 4.35Å; V842-F946 HydrophobicContact CG2-CE2 3.81Å; V842-F946 HydrophobicContact CG2-CZ 4.12Å; V848-F946 HydrophobicContact CB-CB 4.49Å; V848-F946 HydrophobicContact CB-CD2 3.79Å; V848-F946 HydrophobicContact CG1-CD2 3.67Å; V848-F946 HydrophobicContact CG1-CE2 3.97Å; V848-F946 HydrophobicContact CG2-CD2 4.17Å; M849-F946 CarbonylContact O-C 3.42Å; M849-F946 WeakPolarHBondContact O-CA 3.47Å; V850-F946 HydrophobicContact CB-CB 4.31Å; V850-F946 HydrophobicContact CG1-CB 3.67Å; W929-F946 HydrophobicContact CB-CE1 3.64Å; W929-F946 HydrophobicContact CB-CZ 3.68Å; W929-F946 AromaticContact CD1-CE1 3.83Å; W929-F946 AromaticContact CD1-CZ 3.43Å; W929-F946 VanDerWaalsContact CD1-CZ 3.43Å; W929-F946 HydrophobicContact CD2-CZ 4.24Å; W929-F946 AromaticContact CG-CE1 3.88Å; W929-F946 HydrophobicContact CG-CE1 3.88Å; W929-F946 AromaticContact CG-CZ 3.48Å; W929-F946 HydrophobicContact CG-CZ 3.48Å; W929-F946 VanDerWaalsContact CG-CZ 3.48Å; V931-F946 HydrophobicContact CG2-CD1 4.46Å; F941-F946 HydrophobicContact CB-CD1 3.83Å; F941-F946 HydrophobicContact CB-CE1 4.49Å; N942-F946 VanDerWaalsContact O-CD1 3.22Å; N942-F946 WeakPolarHBondContact O-CD1 3.4Å; R943-F946 HydrophobicContact CB-CE1 4.46Å; R943-F946 PolarHBondContact NH1-O 2.82Å; E944-F946 VanDerWaalsContact C-N 3.35Å
947Y64.3Low58.5Low99 Ų9986.1 Ų86.139%0.38843%0.425SS..EExtended strand (participates in β ladder)trans-123.8127.5-174-60-95.1000110.4V848 M849 F858V848-Y947 CarbonylContact C-O 3.48Å; V848-Y947 WeakPolarHBondContact CA-O 3.45Å; V848-Y947 WeakPolarHBondContact CB-O 3.45Å; M849-Y947 PolarHBondContact N-O 3.34Å; M849-Y947 PolarHBondContact O-N 2.84Å; F858-Y947 HydrophobicContact CD1-CD2 4.46Å; F858-Y947 HydrophobicContact CD1-CE2 4.39Å; F858-Y947 HydrophobicContact CE1-CD2 4.11Å; F858-Y947 AromaticContact CE1-CE2 3.61Å; F858-Y947 HydrophobicContact CE1-CE2 3.61Å; F858-Y947 HydrophobicContact CZ-CE2 4.13Å
948V66.5Low55.7Low35 Ų3585.7 Ų85.721%0.21244%0.443CS..EExtended strand (participates in β ladder)trans-68.3129.2173.8-1770000109.9V842 D846 V848V842-V948 HydrophobicContact CB-CG2 4.19Å; V842-V948 HydrophobicContact CG1-CG2 4.26Å; V842-V948 HydrophobicContact CG2-CG2 3.6Å; D846-V948 HydrophobicContact CB-CG1 4.39Å; V848-V948 HydrophobicContact CG1-CG2 4.24Å
949Q54.6Low52.8Low62 Ų6288.8 Ų88.829%0.2946%0.46SS..PPolyproline II helixtrans-72.4125.6173.2-162168.8-58.800109E847 K951E847-Q949 HydrophobicContact CB-CB 4.06Å; E847-Q949 WeakPolarHBondContact O-CB 3.38Å; E847-Q949 PolarHBondContact O-N 2.7Å; E847-Q949 PolarHBondContact OE2-NE2 2.88Å; Q949-K951 PolarHBondContact O-N 2.82Å; Q949-K951 VanDerWaalsContact O-N 3.16Å
950P49.7Very low49.9Very low108 Ų10890.8 Ų90.870%0.70148%0.482SS*.PPolyproline II helixtrans-57.4120-172.5-28.335.4000113.7T952P950-T952 PolarHBondContact O-N 2.85Å
951K43.2Very low47.1Very low143 Ų14397.4 Ų97.462%0.62251%0.506SS*.  trans-78.440.7177.1-69.2-173.9179.7171.90113.8D846 Q949 K953D846-K951 WeakPolarHBondContact OD1-CE 3.18Å; D846-K951 IonicContact OD1-NZ 2.74Å; D846-K951 PolarHBondContact OD1-NZ 3.02Å; D846-K951 IonicContact OD2-NZ 2.77Å; Q949-K951 PolarHBondContact O-N 2.82Å; Q949-K951 VanDerWaalsContact O-N 3.16Å; K951-K953 PolarHBondContact O-N 2.98Å
952T36.9Very low45Very low79 Ų79104.7 Ų104.749%0.48555%0.545SS..  trans-77.886.7174.231.50000111.3P950 Y954P950-T952 PolarHBondContact O-N 2.85Å; T952-Y954 VanDerWaalsContact C-N 3.34Å; T952-Y954 VanDerWaalsContact CB-CE2 3.43Å; T952-Y954 HydrophobicContact CG2-CE1 4.44Å; T952-Y954 HydrophobicContact CG2-CE2 4.39Å; T952-Y954 WeakPolarHBondContact O-CD2 3.2Å; T952-Y954 PolarHBondContact O-N 3.36Å; T952-Y954 VanDerWaalsContact O-N 3.08Å; T952-Y954 VanDerWaalsContact OG1-CE2 3.3Å; T952-Y954 WeakPolarHBondContact OG1-CE2 3.47Å; T952-Y954 PolarHBondContact OG1-OH 3.4Å
953K31Very low42.8Very low172 Ų172106.2 Ų106.275%0.74857%0.572SS**  trans-6697.9150.6-81.3-172.1178-179.90107.8K951 S955K951-K953 PolarHBondContact O-N 2.98Å; K953-S955 PolarHBondContact O-N 3.31Å
954Y32.5Very low40.9Very low161 Ų161110.3 Ų110.363%0.63161%0.605SS**THydrogen-bonded Turntrans-69.323.3176.8-71-85.1000114.1T952T952-Y954 VanDerWaalsContact C-N 3.34Å; T952-Y954 VanDerWaalsContact CB-CE2 3.43Å; T952-Y954 HydrophobicContact CG2-CE1 4.44Å; T952-Y954 HydrophobicContact CG2-CE2 4.39Å; T952-Y954 WeakPolarHBondContact O-CD2 3.2Å; T952-Y954 PolarHBondContact O-N 3.36Å; T952-Y954 VanDerWaalsContact O-N 3.08Å; T952-Y954 VanDerWaalsContact OG1-CE2 3.3Å; T952-Y954 WeakPolarHBondContact OG1-CE2 3.47Å; T952-Y954 PolarHBondContact OG1-OH 3.4Å
955S31.7Very low39.3Very low85 Ų85108.6 Ų108.659%0.59461%0.611SS**THydrogen-bonded Turntrans-88.7-20.4-178.750.30000114.3K953K953-S955 PolarHBondContact O-N 3.31Å
956D34.5Very low37.5Very low137 Ų137111.3 Ų111.373%0.73363%0.632SS**SBendtrans-1092.1-161.3-57.90000113.3G958D956-G958 PolarHBondContact O-N 2.79Å
957I30.7Very low35.8Very low132 Ų132118.7 Ų118.768%0.67767%0.672SS**  trans-87.288.5169.8-58.9177000108L959I957-L959 HydrophobicContact CG2-CD1 4.38Å; I957-L959 HydrophobicContact CG2-CG 4.41Å; I957-L959 PolarHBondContact O-N 2.67Å
958G26.4Very low34Very low74 Ų74124.6 Ų124.676%0.76370%0.695SS**  trans-6892.9177.300000112.5D956D956-G958 PolarHBondContact O-N 2.79Å
959L27.9Very low32.4Very low158 Ų158127 Ų12783%0.82771%0.711SS**  trans-122.882.5164.2-72.5175000109.3I957I957-L959 HydrophobicContact CG2-CD1 4.38Å; I957-L959 HydrophobicContact CG2-CG 4.41Å; I957-L959 PolarHBondContact O-N 2.67Å
960T24.7Very low31.1Very low128 Ų128135.3 Ų135.379%0.78574%0.74SS**  trans-69.3124.1162.1480000109.1
961F26.7Very low30.1Very low207 Ų207135.8 Ų135.891%0.90874%0.741SS**  trans-153.2139.9143.5-117.4-76.1000110.8
962D30Very low29.3Very low161 Ų161137.2 Ų137.286%0.86175%0.754SS**  trans-71.1149.9-165.1-69.7-58.4000114.2
963G24.6Very low29Very low81 Ų81137.8 Ų137.884%0.83576%0.761SS**  trans-95.7118.3179.300000113.3
964S30.2Very low29Very low112 Ų112136.3 Ų136.378%0.78376%0.761SS**  trans-157.3114.7151.859.40000112.9
965A28.5Very low28.9Very low85 Ų85135.5 Ų135.570%0.70277%0.767SS**  trans50.9128.6141.800000122
966T27.4Very low28.9Very low118 Ų118139.2 Ų139.272%0.72478%0.775SS**  trans50110.313658.60000117.7
967D30.1Very low28.9Very low156 Ų156139.5 Ų139.583%0.83478%0.777SS**  -173159.972.5-87-38.5000113.3
968Y25.4Very low28.9Very low223 Ų223138.3 Ų138.388%0.87578%0.78SS**  trans-92.9173.3161.5-91.2-89.4000109.5
969P33Very low29.3Very low86 Ų86140.9 Ų140.956%0.55878%0.781SS**  cis-126-154.4-3.135.6-14.3000111.2
970W27.8Very low29.9Very low235 Ų235137.8 Ų137.889%0.8978%0.778SS**  -179.8166.9123-86.4116.8000112
971T28.6Very low30.5Very low118 Ų118137.5 Ų137.572%0.72478%0.778SS**  trans-101.9163.5-159.942.20000115
972I27.5Very low30.9Very low173 Ų173132.6 Ų132.689%0.88777%0.77SS**  trans-72129.9169.5-65.4167.3000110.6
973S30.3Very low31.3Very low92 Ų92132.6 Ų132.664%0.64377%0.77SS**  trans-160.8126.7151.653.80000111
974D31.6Very low31.7Very low140 Ų140138.1 Ų138.175%0.74980%0.796SS**  trans68103.9146.3-49.3-27.2000121
975L29.4Very low31.8Very low145 Ų145139.5 Ų139.576%0.75980%0.796SS**  52.4135.5116.7-76.9154.4000122
976E31.5Very low32Very low163 Ų163142.3 Ų142.376%0.76280%0.801SS**  trans83108.4149.2-69.7169.6-166.800120.1
977D34.3Very low32.2Very low142 Ų142143.7 Ų143.776%0.75981%0.806SS**  67.188128.3-65-1.2000122.1
978S30.8Very low32.4Very low107 Ų107142.9 Ų142.975%0.74880%0.804SS**  82.3159.2112.779.20000121.4
979V36Very low32.8Very low128 Ų128137.9 Ų137.978%0.77680%0.799SS**  trans77.283.4167.6-164.80000118.2
980A39.1Very low32.8Very low94 Ų94141.4 Ų141.478%0.77782%0.816SS**  63.5153.7116.900000121.9
981P37.4Very low33.1Very low121 Ų121134.7 Ų134.779%0.78681%0.81SS**  trans-113.1168-154.141.7-33.3000115.1
982S36.2Very low33.5Very low104 Ų104136 Ų13673%0.72782%0.817SS**  trans179.8138.6130.736.70000115.5
983N38.8Very low34Very low161 Ų161132.9 Ų132.986%0.86181%0.811SS**  trans57.3102.9140.4-54.7-9000121.9
984S32.7Very low34.3Very low198 Ų198136.6 Ų136.6100%1.38583%0.826SS**  -146.60121.467.80000110.4

Retrieved 984 of 984 residues in 1585.5 ms (Link to these results)

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