A0A087YGJ4_POEFO Loading...

Calpain-2 catalytic subunit

AlphaFold DB , UniProt , Accession A0A087YGJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene CAPN2, Length 701 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
1M46Very low77.8Confident196 Ų19683.4 Ų83.497%0.96648%0.483SS*.  0141.20-73.7-175.4-88.300108.3A6M1-A6 HydrophobicContact CB-CB 3.82Å
2S63.7Low78.6Confident120 Ų12089.2 Ų89.284%0.83949%0.491SS*.  trans-119.4149.5178.1580000111.2
3G76.1Confident79.3Confident57 Ų5786.6 Ų86.659%0.58847%0.473SS*.SBendtrans93.9-172.2176.100000114.5A5 A6G3-A5 VanDerWaalsContact C-N 3.26Å; G3-A5 PolarHBondContact O-N 2.63Å; G3-A6 WeakPolarHBondContact O-CB 3.43Å; G3-A6 PolarHBondContact O-N 3.06Å; G3-A6 VanDerWaalsContact O-N 3.09Å
4I82.1Confident79.7Confident98 Ų9883.8 Ų83.850%0.50345%0.454SS..Hα-helixtrans-59.6-32.6-171.1-166.864.1000113.6A6 K7 L8I4-A6 VanDerWaalsContact C-N 3.3Å; I4-A6 PolarHBondContact O-N 3.23Å; I4-K7 PolarHBondContact O-N 2.91Å; I4-K7 VanDerWaalsContact O-N 3.17Å; I4-L8 HydrophobicContact CG1-CD1 4.31Å; I4-L8 HydrophobicContact CG1-CG 4.35Å; I4-L8 WeakPolarHBondContact O-CG 3.49Å; I4-L8 PolarHBondContact O-N 3.18Å
5A85.6Confident80Confident64 Ų6484.9 Ų84.953%0.52947%0.471SS..Hα-helixtrans-61.5-37.3177.800000112.4G3 Q9G3-A5 VanDerWaalsContact C-N 3.26Å; G3-A5 PolarHBondContact O-N 2.63Å; A5-Q9 WeakPolarHBondContact O-CB 3.49Å; A5-Q9 PolarHBondContact O-N 3.22Å
6A82.4Confident80.5Confident28 Ų2890.1 Ų90.123%0.23149%0.487CS..Hα-helixtrans-67.4-40.8175.700000111.5M1 G3 I4 Q9 H10M1-A6 HydrophobicContact CB-CB 3.82Å; G3-A6 WeakPolarHBondContact O-CB 3.43Å; G3-A6 PolarHBondContact O-N 3.06Å; G3-A6 VanDerWaalsContact O-N 3.09Å; I4-A6 VanDerWaalsContact C-N 3.3Å; I4-A6 PolarHBondContact O-N 3.23Å; A6-Q9 PolarHBondContact O-N 3.17Å; A6-H10 PolarHBondContact O-N 3.31Å
7K81.6Confident80.9Confident70 Ų7085.9 Ų85.930%0.30447%0.47SS..Hα-helixtrans-64.5-43.1176.4-166-179.7-176.9-172.50111.6I4 Q9 H10 F11I4-K7 PolarHBondContact O-N 2.91Å; I4-K7 VanDerWaalsContact O-N 3.17Å; K7-Q9 VanDerWaalsContact C-N 3.35Å; K7-H10 WeakPolarHBondContact O-CB 3.37Å; K7-H10 PolarHBondContact O-N 3.15Å; K7-F11 HydrophobicContact CD-CE2 3.96Å; K7-F11 HydrophobicContact CD-CZ 4.38Å; K7-F11 VanDerWaalsContact CE-CZ 3.49Å; K7-F11 HydrophobicContact CG-CD2 4.13Å; K7-F11 HydrophobicContact CG-CE2 3.6Å; K7-F11 HydrophobicContact CG-CZ 4.13Å; K7-F11 WeakPolarHBondContact O-CD2 3.4Å; K7-F11 WeakPolarHBondContact O-CG 3.37Å; K7-F11 PolarHBondContact O-N 3.49Å
8L84.9Confident81.4Confident89 Ų8984.3 Ų84.347%0.46646%0.46SS..Hα-helixtrans-64.1-39.5175.5-71173.2000112.2I4 F11 R12I4-L8 HydrophobicContact CG1-CD1 4.31Å; I4-L8 HydrophobicContact CG1-CG 4.35Å; I4-L8 WeakPolarHBondContact O-CG 3.49Å; I4-L8 PolarHBondContact O-N 3.18Å; L8-F11 PolarHBondContact O-N 3.24Å; L8-R12 VanDerWaalsContact O-CG 3.29Å; L8-R12 WeakPolarHBondContact O-CG 3.3Å; L8-R12 PolarHBondContact O-N 2.66Å; L8-R12 VanDerWaalsContact O-N 3.09Å
9Q86.7Confident81.7Confident67 Ų6780.2 Ų80.231%0.31344%0.439SS..Hα-helixtrans-63.6-46.4175.1-177.860.624.200111.1A5 A6 K7 F11 R12 E13A5-Q9 WeakPolarHBondContact O-CB 3.49Å; A5-Q9 PolarHBondContact O-N 3.22Å; A6-Q9 PolarHBondContact O-N 3.17Å; K7-Q9 VanDerWaalsContact C-N 3.35Å; Q9-F11 PolarHBondContact O-N 3.48Å; Q9-R12 WeakPolarHBondContact O-CB 3.47Å; Q9-R12 PolarHBondContact O-N 2.83Å; Q9-R12 VanDerWaalsContact O-N 3.12Å; Q9-E13 HydrophobicContact CG-CG 4.48Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.48Å; Q9-E13 PolarHBondContact NE2-OE1 3.41Å; Q9-E13 WeakPolarHBondContact O-CG 3.45Å; Q9-E13 PolarHBondContact O-N 3.15Å
10H83.9Confident82.1Confident49 Ų4979.1 Ų79.123%0.22744%0.435CS..Hα-helixtrans-55.2-47.8175.1-176.370.8000112.1A6 K7 R12 E13 K14 D148A6-H10 PolarHBondContact O-N 3.31Å; K7-H10 WeakPolarHBondContact O-CB 3.37Å; K7-H10 PolarHBondContact O-N 3.15Å; H10-R12 VanDerWaalsContact C-N 3.32Å; H10-R12 PolarHBondContact O-N 2.87Å; H10-E13 WeakPolarHBondContact O-CB 3.45Å; H10-E13 PolarHBondContact O-N 3.14Å; H10-E13 VanDerWaalsContact O-N 3.12Å; H10-K14 WeakPolarHBondContact O-CB 3.47Å; H10-K14 PolarHBondContact O-N 2.8Å; H10-D148 IonicContact CE1-OD2 2.59Å; H10-D148 PolarHBondContact CE1-OD2 3.15Å; H10-D148 IonicContact NE2-OD2 3.44Å; H10-D148 PolarHBondContact NE2-OD2 2.89Å
11F82.6Confident82.5Confident79 Ų7976.7 Ų76.735%0.34642%0.422SS..Hα-helixtrans-63.1-35.9177.6-69.7-46.7000113.5K7 L8 Q9 E13 K14 S15K7-F11 HydrophobicContact CD-CE2 3.96Å; K7-F11 HydrophobicContact CD-CZ 4.38Å; K7-F11 VanDerWaalsContact CE-CZ 3.49Å; K7-F11 HydrophobicContact CG-CD2 4.13Å; K7-F11 HydrophobicContact CG-CE2 3.6Å; K7-F11 HydrophobicContact CG-CZ 4.13Å; K7-F11 WeakPolarHBondContact O-CD2 3.4Å; K7-F11 WeakPolarHBondContact O-CG 3.37Å; K7-F11 PolarHBondContact O-N 3.49Å; L8-F11 PolarHBondContact O-N 3.24Å; Q9-F11 PolarHBondContact O-N 3.48Å; F11-E13 VanDerWaalsContact C-N 3.33Å; F11-K14 PolarHBondContact O-N 3.49Å; F11-S15 PolarHBondContact O-N 3.41Å
12R87.3Confident84.4Confident153 Ų15371.7 Ų71.758%0.57741%0.406SS*.Hα-helixtrans-70.3-30.4174.3-71.8170.4177.1-178.7-1.9112.8L8 Q9 H10 S15 K16L8-R12 VanDerWaalsContact O-CG 3.29Å; L8-R12 WeakPolarHBondContact O-CG 3.3Å; L8-R12 PolarHBondContact O-N 2.66Å; L8-R12 VanDerWaalsContact O-N 3.09Å; Q9-R12 WeakPolarHBondContact O-CB 3.47Å; Q9-R12 PolarHBondContact O-N 2.83Å; Q9-R12 VanDerWaalsContact O-N 3.12Å; H10-R12 VanDerWaalsContact C-N 3.32Å; H10-R12 PolarHBondContact O-N 2.87Å; R12-S15 PolarHBondContact O-OG 2.81Å; R12-S15 VanDerWaalsContact O-OG 3.05Å; R12-K16 WeakPolarHBondContact O-CG 3.49Å
13E87.8Confident85.8Confident56 Ų5671.7 Ų71.726%0.26239%0.392SS..Hα-helixtrans-72.7-44174.3-75.5173.1179.200110Q9 H10 F11 S15 K16 G17 I18Q9-E13 HydrophobicContact CG-CG 4.48Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.48Å; Q9-E13 PolarHBondContact NE2-OE1 3.41Å; Q9-E13 WeakPolarHBondContact O-CG 3.45Å; Q9-E13 PolarHBondContact O-N 3.15Å; H10-E13 WeakPolarHBondContact O-CB 3.45Å; H10-E13 PolarHBondContact O-N 3.14Å; H10-E13 VanDerWaalsContact O-N 3.12Å; F11-E13 VanDerWaalsContact C-N 3.33Å; E13-S15 PolarHBondContact O-N 3.37Å; E13-K16 CarbonylContact O-C 3.58Å; E13-K16 WeakPolarHBondContact O-CA 3.37Å; E13-K16 WeakPolarHBondContact O-CB 3.15Å; E13-K16 PolarHBondContact O-N 3.15Å; E13-G17 PolarHBondContact O-N 2.87Å; E13-I18 HydrophobicContact CB-CB 3.97Å; E13-I18 HydrophobicContact CB-CD1 3.64Å; E13-I18 HydrophobicContact CB-CG1 4.34Å; E13-I18 HydrophobicContact CB-CG2 4.27Å; E13-I18 HydrophobicContact CG-CD1 3.74Å; E13-I18 WeakPolarHBondContact O-CB 3.25Å; E13-I18 PolarHBondContact O-N 3.34Å
14K85Confident86.6Confident47 Ų4769.9 Ų69.920%0.20437%0.372CS..Hα-helixtrans-59-43174.9-171165.2177.8159.30112.7H10 F11 K16 G17 I18 G147 D148 E360H10-K14 WeakPolarHBondContact O-CB 3.47Å; H10-K14 PolarHBondContact O-N 2.8Å; F11-K14 PolarHBondContact O-N 3.49Å; K14-K16 PolarHBondContact O-N 3.12Å; K14-G17 PolarHBondContact O-N 3.04Å; K14-I18 WeakPolarHBondContact CA-O 3.42Å; K14-G147 PolarHBondContact NZ-O 2.91Å; K14-D148 IonicContact NZ-OD1 3.32Å; K14-D148 PolarHBondContact NZ-OD1 2.89Å; K14-E360 WeakPolarHBondContact CE-OE1 3.36Å; K14-E360 IonicContact NZ-OE1 2.67Å; K14-E360 PolarHBondContact NZ-OE1 2.96Å
15S84.6Confident87.2Confident101 Ų10167 Ų6771%0.70636%0.357SS*.THydrogen-bonded Turntrans-66.5-16.4175.1690000114.3F11 R12 E13F11-S15 PolarHBondContact O-N 3.41Å; R12-S15 PolarHBondContact O-OG 2.81Å; R12-S15 VanDerWaalsContact O-OG 3.05Å; E13-S15 PolarHBondContact O-N 3.37Å
16K87.9Confident87.7Confident167 Ų16769.1 Ų69.173%0.72635%0.354SS*.THydrogen-bonded Turntrans-933.2171.6-66.5173.7-176.4-179.90113.1R12 E13 K14R12-K16 WeakPolarHBondContact O-CG 3.49Å; E13-K16 CarbonylContact O-C 3.58Å; E13-K16 WeakPolarHBondContact O-CA 3.37Å; E13-K16 WeakPolarHBondContact O-CB 3.15Å; E13-K16 PolarHBondContact O-N 3.15Å; K14-K16 PolarHBondContact O-N 3.12Å
17G87.2Confident88.4Confident20 Ų2070.1 Ų70.121%0.20635%0.353CS..THydrogen-bonded Turntrans942.617800000115.4E13 K14 T20E13-G17 PolarHBondContact O-N 2.87Å; K14-G17 PolarHBondContact O-N 3.04Å; G17-T20 WeakPolarHBondContact O-CB 3.34Å; G17-T20 WeakPolarHBondContact O-CG2 3.49Å; G17-T20 PolarHBondContact O-N 2.76Å; G17-T20 PolarHBondContact O-OG1 2.89Å
18I89.6Confident89Confident57 Ų5771 Ų7129%0.29236%0.36SS..THydrogen-bonded Turntrans-69.7134.4173-64.3167.7000108.8E13 K14 L25E13-I18 HydrophobicContact CB-CB 3.97Å; E13-I18 HydrophobicContact CB-CD1 3.64Å; E13-I18 HydrophobicContact CB-CG1 4.34Å; E13-I18 HydrophobicContact CB-CG2 4.27Å; E13-I18 HydrophobicContact CG-CD1 3.74Å; E13-I18 WeakPolarHBondContact O-CB 3.25Å; E13-I18 PolarHBondContact O-N 3.34Å; K14-I18 WeakPolarHBondContact CA-O 3.42Å; I18-L25 HydrophobicContact CG2-CD2 3.44Å; I18-L25 VanDerWaalsContact CG2-CD2 3.44Å; I18-L25 HydrophobicContact CG2-CG 4.27Å
19G87.8Confident89.4Confident5 Ų574 Ų745%0.05238%0.376CS..THydrogen-bonded Turntrans91.1-2.5-170.600000113.7H23 W149G19-H23 PolarHBondContact N-O 3.25Å; G19-W149 PolarHBondContact O-N 3.13Å
20T89.8Confident89.9Confident59 Ų5971.4 Ų71.436%0.36237%0.365SS..SBendtrans-74.9161.4163.464.40000110.5G17 S22 H23 A24G17-T20 WeakPolarHBondContact O-CB 3.34Å; G17-T20 WeakPolarHBondContact O-CG2 3.49Å; G17-T20 PolarHBondContact O-N 2.76Å; G17-T20 PolarHBondContact O-OG1 2.89Å; T20-S22 PolarHBondContact O-N 3.46Å; T20-S22 PolarHBondContact OG1-OG 3.4Å; T20-H23 CarbonylContact O-C 3.57Å; T20-H23 PolarHBondContact O-N 2.75Å; T20-H23 PolarHBondContact OG1-N 3.08Å; T20-A24 WeakPolarHBondContact O-CA 3.35Å; T20-A24 PolarHBondContact O-N 2.74Å
21N89.2Confident90.6Very high29 Ų2970.8 Ų70.816%0.15536%0.363CS..G310 helixtrans-54.2-39.5176.6179.8-101.8000112.2H23 R123 Q142 W149N21-H23 VanDerWaalsContact C-N 3.3Å; N21-H23 PolarHBondContact O-N 3.42Å; N21-R123 WeakPolarHBondContact ND2-CB 3.07Å; N21-R123 PolarHBondContact ND2-O 3Å; N21-Q142 PolarHBondContact ND2-OE1 3.47Å; N21-Q142 PolarHBondContact O-OE1 3.05Å; N21-Q142 VanDerWaalsContact O-OE1 3.13Å; N21-W149 HydrophobicContact CB-CD2 3.88Å; N21-W149 HydrophobicContact CB-CG 3.91Å; N21-W149 HydrophobicContact CB-CZ2 4.47Å; N21-W149 VanDerWaalsContact N-CD1 3.29Å
22S87.5Confident91.3Very high90 Ų9067.4 Ų67.463%0.62935%0.348SS*.G310 helixtrans-68.2-23.7177.568.40000115T20T20-S22 PolarHBondContact O-N 3.46Å; T20-S22 PolarHBondContact OG1-OG 3.4Å
23H91.9Very high91.7Very high120 Ų12063.5 Ų63.556%0.55634%0.336SS*.G310 helixtrans-136.456.1-177-66.686.8000109.7G19 T20 N21G19-H23 PolarHBondContact N-O 3.25Å; T20-H23 CarbonylContact O-C 3.57Å; T20-H23 PolarHBondContact O-N 2.75Å; T20-H23 PolarHBondContact OG1-N 3.08Å; N21-H23 VanDerWaalsContact C-N 3.3Å; N21-H23 PolarHBondContact O-N 3.42Å
24A94.2Very high92.2Very high19 Ų1966.8 Ų66.816%0.15735%0.352CS..  trans-60.9146.2-176.600000112.2T20 Q142 W149 D151T20-A24 WeakPolarHBondContact O-CA 3.35Å; T20-A24 PolarHBondContact O-N 2.74Å; A24-Q142 HydrophobicContact CB-CG 4.47Å; A24-W149 CarbonylContact C-O 3.5Å; A24-W149 VanDerWaalsContact CA-O 3.31Å; A24-W149 WeakPolarHBondContact CA-O 3.47Å; A24-W149 HydrophobicContact CB-CB 4.06Å; A24-D151 HydrophobicContact CB-CB 4.01Å
25L94.6Very high92.8Very high39 Ų3966.7 Ų66.720%0.20435%0.353CS..EExtended strand (participates in β ladder)trans-69.2135.3175.8-70.2166.2000110.2I18 Y27 D148 W149 I150 D151I18-L25 HydrophobicContact CG2-CD2 3.44Å; I18-L25 VanDerWaalsContact CG2-CD2 3.44Å; I18-L25 HydrophobicContact CG2-CG 4.27Å; L25-Y27 PolarHBondContact O-N 2.81Å; L25-D148 HydrophobicContact CD1-CB 3.7Å; L25-W149 PolarHBondContact N-O 3.39Å; L25-I150 HydrophobicContact CB-CG1 4.43Å; L25-I150 CarbonylContact O-C 3.47Å; L25-I150 VanDerWaalsContact O-CA 3.3Å; L25-I150 WeakPolarHBondContact O-CA 3.31Å; L25-I150 WeakPolarHBondContact O-CG2 3.24Å; L25-D151 PolarHBondContact O-N 3.04Å
26K95.4Very high93.4Very high107 Ų10763.5 Ų63.547%0.46533%0.326SS..EExtended strand (participates in β ladder)trans-77.3111.6179.2-63.9175.7-168.91770110.3L28 N29 Q30 D31K26-L28 PolarHBondContact O-N 3.01Å; K26-N29 PolarHBondContact O-N 2.78Å; K26-N29 VanDerWaalsContact O-N 3.12Å; K26-Q30 WeakPolarHBondContact CB-O 3.39Å; K26-D31 HydrophobicContact CD-CB 4.03Å; K26-D31 WeakPolarHBondContact CE-OD2 3.48Å; K26-D31 IonicContact NZ-OD2 2.66Å; K26-D31 PolarHBondContact NZ-OD2 3.38Å
27Y96Very high93.8Very high50 Ų5061.7 Ų61.720%0.19631%0.314CS..G310 helixtrans-61.4129.5178.2-168.5-118.9000110.6L25 N29 Q30 I150 D151 V152 K187 I188L25-Y27 PolarHBondContact O-N 2.81Å; Y27-N29 PolarHBondContact O-N 3.3Å; Y27-Q30 PolarHBondContact O-N 2.97Å; Y27-I150 HydrophobicContact CD2-CG2 3.99Å; Y27-I150 HydrophobicContact CG-CG2 4.21Å; Y27-D151 VanDerWaalsContact CB-O 3.25Å; Y27-D151 WeakPolarHBondContact CB-O 3.33Å; Y27-D151 PolarHBondContact N-O 2.94Å; Y27-V152 HydrophobicContact CD1-CG1 4.3Å; Y27-V152 HydrophobicContact CG-CG2 4.34Å; Y27-K187 HydrophobicContact CE1-CG 4.14Å; Y27-I188 HydrophobicContact CD1-CG2 4.23Å; Y27-I188 HydrophobicContact CD2-CG2 4.44Å; Y27-I188 HydrophobicContact CE1-CG2 4.17Å; Y27-I188 HydrophobicContact CE2-CG2 4.39Å; Y27-I188 HydrophobicContact CG-CG2 4.36Å
28L94.6Very high94.3Very high87 Ų8762.4 Ų62.446%0.45532%0.316SS..G310 helixtrans54.423.5-177.6-55.9172.1000114K26 Q30 C50K26-L28 PolarHBondContact O-N 3.01Å; L28-Q30 PolarHBondContact O-N 3.23Å; L28-C50 HydrophobicContact CD1-CB 3.54Å
29N94.5Very high94.7Very high152 Ų15259.9 Ų59.981%0.81330%0.304SS*.G310 helixtrans59.423.1-174.8-48.3-72.4000114.5K26 Y27K26-N29 PolarHBondContact O-N 2.78Å; K26-N29 VanDerWaalsContact O-N 3.12Å; Y27-N29 PolarHBondContact O-N 3.3Å
30Q97.2Very high95.2Very high14 Ų1463.1 Ų63.17%0.06532%0.319CS..  trans-82.1124.2173.1-70.9178.6-46.100109.9K26 Y27 L28 L35 D48 D49 V153K26-Q30 WeakPolarHBondContact CB-O 3.39Å; Y27-Q30 PolarHBondContact O-N 2.97Å; L28-Q30 PolarHBondContact O-N 3.23Å; Q30-L35 HydrophobicContact CB-CD1 3.76Å; Q30-L35 HydrophobicContact CG-CD1 4.08Å; Q30-D48 PolarHBondContact NE2-OD1 3.36Å; Q30-D49 PolarHBondContact NE2-OD1 2.98Å; Q30-V153 HydrophobicContact CB-CB 4.29Å; Q30-V153 HydrophobicContact CB-CG2 4.18Å
31D97.3Very high95.6Very high36 Ų3667.5 Ų67.519%0.19334%0.336CS..  trans-102.2117.8175-177.7-66.3000109.8K26 E33 E34 L35K26-D31 HydrophobicContact CD-CB 4.03Å; K26-D31 WeakPolarHBondContact CE-OD2 3.48Å; K26-D31 IonicContact NZ-OD2 2.66Å; K26-D31 PolarHBondContact NZ-OD2 3.38Å; D31-E33 PolarHBondContact O-N 2.86Å; D31-E33 WeakPolarHBondContact OD1-CA 3.28Å; D31-E33 PolarHBondContact OD1-N 2.89Å; D31-E34 HydrophobicContact CB-CB 3.92Å; D31-E34 PolarHBondContact O-N 2.93Å; D31-E34 PolarHBondContact OD1-N 3.03Å; D31-L35 VanDerWaalsContact O-CB 3.29Å; D31-L35 WeakPolarHBondContact O-CB 3.26Å; D31-L35 WeakPolarHBondContact O-CG 3.41Å; D31-L35 PolarHBondContact O-N 3.33Å
32F97.3Very high96Very high8 Ų873.1 Ų73.14%0.03536%0.355CS..Hα-helixtrans-54.7-48.2-178.4172.1-111.8000112.6R36 I138 H140 V153F32-R36 WeakPolarHBondContact O-CB 3.35Å; F32-R36 PolarHBondContact O-N 3.49Å; F32-I138 HydrophobicContact CD2-CD1 4.25Å; F32-I138 HydrophobicContact CD2-CG1 3.99Å; F32-I138 HydrophobicContact CE2-CG1 4.12Å; F32-I138 HydrophobicContact CE2-CG2 4.08Å; F32-H140 HydrophobicContact CB-CB 4.08Å; F32-H140 AromaticContact CD1-CD2 3.66Å; F32-H140 AromaticContact CD1-NE2 3.78Å; F32-H140 HydrophobicContact CD2-CB 3.84Å; F32-H140 AromaticContact CD2-CD2 3.89Å; F32-H140 AromaticContact CD2-CG 3.95Å; F32-H140 AromaticContact CE1-CD2 3.72Å; F32-H140 AromaticContact CE1-NE2 3.85Å; F32-H140 HydrophobicContact CE2-CB 4.48Å; F32-H140 AromaticContact CE2-CD2 3.95Å; F32-H140 HydrophobicContact CG-CB 3.98Å; F32-H140 AromaticContact CG-CD2 3.74Å; F32-H140 AromaticContact CG-CG 3.73Å; F32-H140 AromaticContact CZ-CD2 3.86Å; F32-V153 HydrophobicContact CB-CG2 3.92Å
33E96.4Very high96.4Very high71 Ų7172.2 Ų72.233%0.33236%0.359SS..Hα-helixtrans-70.8-40.2-174.2-72.3-63.2169.900112.5D31 R36 R37D31-E33 PolarHBondContact O-N 2.86Å; D31-E33 WeakPolarHBondContact OD1-CA 3.28Å; D31-E33 PolarHBondContact OD1-N 2.89Å; E33-R36 IonicContact OE1-CZ 3.18Å; E33-R36 IonicContact OE1-NH2 2.99Å; E33-R36 PolarHBondContact OE1-NH2 2.87Å; E33-R36 IonicContact OE2-CZ 3.82Å; E33-R36 IonicContact OE2-NE 2.78Å; E33-R36 PolarHBondContact OE2-NE 3.46Å; E33-R36 IonicContact OE2-NH2 3.72Å; E33-R36 PolarHBondContact OE2-NH2 3.4Å; E33-R37 WeakPolarHBondContact O-CB 3.45Å; E33-R37 PolarHBondContact O-N 3.45Å
34E97.4Very high96.6Very high124 Ų12472.1 Ų72.158%0.57936%0.359SS*.Hα-helixtrans-66.6-45.8176.2-169.7175.7177.400111.4D31 R37 S38D31-E34 HydrophobicContact CB-CB 3.92Å; D31-E34 PolarHBondContact O-N 2.93Å; D31-E34 PolarHBondContact OD1-N 3.03Å; E34-R37 PolarHBondContact O-N 2.87Å; E34-S38 WeakPolarHBondContact O-CB 3.24Å; E34-S38 PolarHBondContact O-N 3.19Å
35L97.9Very high96.8Very high45 Ų4574.7 Ų74.724%0.23637%0.37CS..Hα-helixtrans-66.5-44.1178.9-69.5172.6000111.6Q30 D31 S38 C39 F46 I138 V153Q30-L35 HydrophobicContact CB-CD1 3.76Å; Q30-L35 HydrophobicContact CG-CD1 4.08Å; D31-L35 VanDerWaalsContact O-CB 3.29Å; D31-L35 WeakPolarHBondContact O-CB 3.26Å; D31-L35 WeakPolarHBondContact O-CG 3.41Å; D31-L35 PolarHBondContact O-N 3.33Å; L35-S38 PolarHBondContact O-N 3.31Å; L35-C39 WeakPolarHBondContact O-CB 3.19Å; L35-C39 PolarHBondContact O-N 3.2Å; L35-C39 PolarHBondContact O-SG 2.93Å; L35-F46 HydrophobicContact CB-CE2 4.42Å; L35-F46 HydrophobicContact CD1-CE2 4.02Å; L35-F46 HydrophobicContact CD1-CZ 4.07Å; L35-F46 HydrophobicContact CD2-CE2 4.21Å; L35-F46 HydrophobicContact CG-CE2 4.46Å; L35-I138 HydrophobicContact CB-CD1 3.57Å; L35-I138 HydrophobicContact CD1-CD1 4.38Å; L35-V153 HydrophobicContact CD1-CG1 4.3Å
36R97.6Very high97Very high35 Ų3573.5 Ų73.513%0.13236%0.363CS..Hα-helixtrans-59.1-49.7175.3-176.9172.370.4171.9-2.4110.8F32 E33 S38 C39 L40 A136 I138F32-R36 WeakPolarHBondContact O-CB 3.35Å; F32-R36 PolarHBondContact O-N 3.49Å; E33-R36 IonicContact OE1-CZ 3.18Å; E33-R36 IonicContact OE1-NH2 2.99Å; E33-R36 PolarHBondContact OE1-NH2 2.87Å; E33-R36 IonicContact OE2-CZ 3.82Å; E33-R36 IonicContact OE2-NE 2.78Å; E33-R36 PolarHBondContact OE2-NE 3.46Å; E33-R36 IonicContact OE2-NH2 3.72Å; E33-R36 PolarHBondContact OE2-NH2 3.4Å; R36-S38 PolarHBondContact O-N 2.85Å; R36-C39 PolarHBondContact O-N 2.68Å; R36-L40 HydrophobicContact CG-CD1 4.04Å; R36-L40 VanDerWaalsContact O-CG 3.31Å; R36-L40 WeakPolarHBondContact O-CG 3.49Å; R36-L40 PolarHBondContact O-N 3.47Å; R36-A136 HydrophobicContact CG-CB 4.34Å; R36-I138 HydrophobicContact CB-CG2 3.8Å; R36-I138 HydrophobicContact CG-CG2 3.9Å
37R97.6Very high97.1Very high129 Ų12974.6 Ų74.649%0.48737%0.37SS..Hα-helixtrans-58.6-46.8177.7-170.7-175.1-50.5114.311.4111.7E33 E34 C39 L40 E41E33-R37 WeakPolarHBondContact O-CB 3.45Å; E33-R37 PolarHBondContact O-N 3.45Å; E34-R37 PolarHBondContact O-N 2.87Å; R37-C39 VanDerWaalsContact C-N 3.31Å; R37-C39 PolarHBondContact O-N 3.03Å; R37-L40 PolarHBondContact O-N 2.92Å; R37-E41 WeakPolarHBondContact O-CB 3.32Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.43Å
38S97.8Very high97.2Very high34 Ų3472.3 Ų72.324%0.23836%0.361CS..Hα-helixtrans-62-38.3179.3-168.60000112.6E34 L35 R36 R42E34-S38 WeakPolarHBondContact O-CB 3.24Å; E34-S38 PolarHBondContact O-N 3.19Å; L35-S38 PolarHBondContact O-N 3.31Å; R36-S38 PolarHBondContact O-N 2.85Å; S38-R42 WeakPolarHBondContact O-CB 3.43Å; S38-R42 WeakPolarHBondContact O-CG 3.45Å; S38-R42 PolarHBondContact O-N 2.89Å; S38-R42 VanDerWaalsContact O-N 3.16Å; S38-R42 PolarHBondContact O-NE 2.99Å; S38-R42 PolarHBondContact OG-NH1 3.32Å; S38-R42 VanDerWaalsContact OG-NH1 3.09Å; S38-R42 PolarHBondContact OG-NH2 3.23Å; S38-R42 VanDerWaalsContact OG-NH2 3.15Å
39C97.8Very high97.3Very high5 Ų573.8 Ų73.83%0.03437%0.369CS..Hα-helixtrans-68.5-43.3176-67.80000112.1L35 R36 R37 R42 G43 Q44 A136L35-C39 WeakPolarHBondContact O-CB 3.19Å; L35-C39 PolarHBondContact O-N 3.2Å; L35-C39 PolarHBondContact O-SG 2.93Å; R36-C39 PolarHBondContact O-N 2.68Å; R37-C39 VanDerWaalsContact C-N 3.31Å; R37-C39 PolarHBondContact O-N 3.03Å; C39-R42 PolarHBondContact O-N 3.01Å; C39-G43 PolarHBondContact O-N 3.45Å; C39-Q44 WeakPolarHBondContact CB-O 3.37Å; C39-Q44 PolarHBondContact O-N 2.95Å; C39-A136 HydrophobicContact CB-CB 3.8Å
40L97.4Very high97.3Very high73 Ų7369.1 Ų69.138%0.38235%0.348SS..Hα-helixtrans-60.8-44.9175.2-69.7170.8000112R36 R37 R42 G43 N134 A136R36-L40 HydrophobicContact CG-CD1 4.04Å; R36-L40 VanDerWaalsContact O-CG 3.31Å; R36-L40 WeakPolarHBondContact O-CG 3.49Å; R36-L40 PolarHBondContact O-N 3.47Å; R37-L40 PolarHBondContact O-N 2.92Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 3.41Å; L40-G43 PolarHBondContact O-N 3.41Å; L40-N134 HydrophobicContact CD1-CB 4.15Å; L40-A136 HydrophobicContact CD2-CB 4.01Å; L40-A136 HydrophobicContact CG-CB 4.05Å
41E97.8Very high97.4Very high151 Ų15168.9 Ų68.971%0.70635%0.347SS*.Hα-helixtrans-62.7-35.2177.6-74.7174.5-177.300112.6R37R37-E41 WeakPolarHBondContact O-CB 3.32Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.43Å
42R97.3Very high97.3Very high146 Ų14671.9 Ų71.955%0.55136%0.36SS*.Hα-helixtrans-84.4-11.4177.6-69.1-173.5-65.1-129.5-0.3113.9S38 C39 L40 Q44S38-R42 WeakPolarHBondContact O-CB 3.43Å; S38-R42 WeakPolarHBondContact O-CG 3.45Å; S38-R42 PolarHBondContact O-N 2.89Å; S38-R42 VanDerWaalsContact O-N 3.16Å; S38-R42 PolarHBondContact O-NE 2.99Å; S38-R42 PolarHBondContact OG-NH1 3.32Å; S38-R42 VanDerWaalsContact OG-NH1 3.09Å; S38-R42 PolarHBondContact OG-NH2 3.23Å; S38-R42 VanDerWaalsContact OG-NH2 3.15Å; C39-R42 PolarHBondContact O-N 3.01Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 3.41Å; R42-Q44 VanDerWaalsContact C-N 3.29Å; R42-Q44 HydrophobicContact CB-CB 4.42Å; R42-Q44 HydrophobicContact CB-CG 4.27Å; R42-Q44 PolarHBondContact O-N 3.3Å
43G96.5Very high97.3Very high71 Ų7172.9 Ų72.973%0.73237%0.37SS*.THydrogen-bonded Turntrans62.635.6-173.300000112.9C39 L40C39-G43 PolarHBondContact O-N 3.45Å; L40-G43 PolarHBondContact O-N 3.41Å
44Q97.1Very high97.2Very high119 Ų11973 Ų7356%0.55637%0.372SS*.  trans-122.3153.3-178.1-69.9178.5-23.100110.4C39 R42C39-Q44 WeakPolarHBondContact CB-O 3.37Å; C39-Q44 PolarHBondContact O-N 2.95Å; R42-Q44 VanDerWaalsContact C-N 3.29Å; R42-Q44 HydrophobicContact CB-CB 4.42Å; R42-Q44 HydrophobicContact CB-CG 4.27Å; R42-Q44 PolarHBondContact O-N 3.3Å
45L98.1Very high97Very high73 Ų7369.8 Ų69.838%0.38236%0.362SS..  trans-84.4143.2170.3-60179.7000109.7E47 Y135 A136L45-E47 PolarHBondContact O-N 3.36Å; L45-Y135 HydrophobicContact CD2-CD1 4.14Å; L45-Y135 HydrophobicContact CD2-CE1 3.55Å; L45-A136 WeakPolarHBondContact CA-O 3.28Å
46F98.4Very high96.7Very high13 Ų1370.6 Ų70.66%0.05737%0.371CS..  trans-63135.5177.7-178.4-118.6000110.6L35 D48 R77 A136 I138 V153 D155L35-F46 HydrophobicContact CB-CE2 4.42Å; L35-F46 HydrophobicContact CD1-CE2 4.02Å; L35-F46 HydrophobicContact CD1-CZ 4.07Å; L35-F46 HydrophobicContact CD2-CE2 4.21Å; L35-F46 HydrophobicContact CG-CE2 4.46Å; F46-D48 HydrophobicContact CE1-CB 3.75Å; F46-D48 HydrophobicContact CZ-CB 4.11Å; F46-R77 PolarHBondContact O-NH1 2.87Å; F46-R77 PolarHBondContact O-NH2 3.08Å; F46-A136 PolarHBondContact N-O 2.71Å; F46-I138 HydrophobicContact CB-CB 3.72Å; F46-I138 HydrophobicContact CB-CD1 4.32Å; F46-I138 HydrophobicContact CB-CG1 4.32Å; F46-I138 HydrophobicContact CD1-CB 3.85Å; F46-I138 HydrophobicContact CD1-CD1 3.7Å; F46-I138 HydrophobicContact CD1-CG1 3.61Å; F46-I138 HydrophobicContact CD2-CD1 4.1Å; F46-I138 HydrophobicContact CE1-CD1 3.99Å; F46-I138 HydrophobicContact CE1-CG1 4.12Å; F46-I138 HydrophobicContact CE2-CD1 4.36Å; F46-I138 HydrophobicContact CG-CB 3.98Å; F46-I138 HydrophobicContact CG-CD1 3.77Å; F46-I138 HydrophobicContact CG-CG1 4.01Å; F46-I138 HydrophobicContact CZ-CD1 4.31Å; F46-V153 HydrophobicContact CE1-CG1 3.93Å; F46-V153 HydrophobicContact CZ-CG1 4.3Å; F46-D155 HydrophobicContact CD1-CB 3.68Å; F46-D155 HydrophobicContact CE1-CB 4.3Å; F46-D155 WeakPolarHBondContact O-CB 3.42Å
47E98.2Very high96.6Very high131 Ų13169.2 Ų69.261%0.61237%0.367SS*.  trans-123.1116.1170.3-64.7-168.1-167.400107.2L45 D49 R157L45-E47 PolarHBondContact O-N 3.36Å; E47-D49 PolarHBondContact O-N 3.12Å; E47-R157 IonicContact OE2-NH1 2.69Å; E47-R157 PolarHBondContact OE2-NH1 3.4Å
48D97.8Very high96.5Very high1 Ų163.3 Ų63.31%0.00535%0.345CS..  trans-75.3109.4-176.6-166.7-3.7000110.7Q30 F46 C50 F51 E52 D155 K187Q30-D48 PolarHBondContact NE2-OD1 3.36Å; F46-D48 HydrophobicContact CE1-CB 3.75Å; F46-D48 HydrophobicContact CZ-CB 4.11Å; D48-C50 VanDerWaalsContact C-N 3.25Å; D48-C50 WeakPolarHBondContact OD1-CB 3.5Å; D48-C50 PolarHBondContact OD1-N 3.17Å; D48-C50 VanDerWaalsContact OD1-N 3.1Å; D48-F51 CarbonylContact O-C 3.58Å; D48-F51 PolarHBondContact OD1-N 2.78Å; D48-E52 WeakPolarHBondContact O-CA 3.16Å; D48-E52 PolarHBondContact O-N 3.12Å; D48-D155 HydrophobicContact CB-CB 4.34Å; D48-D155 VanDerWaalsContact CB-OD2 3.22Å; D48-D155 WeakPolarHBondContact CB-OD2 3.28Å; D48-D155 PolarHBondContact N-OD2 3.09Å; D48-K187 VanDerWaalsContact CG-NZ 3.27Å; D48-K187 IonicContact OD1-NZ 2.65Å; D48-K187 PolarHBondContact OD1-NZ 2.92Å; D48-K187 VanDerWaalsContact OD1-NZ 3.1Å; D48-K187 WeakPolarHBondContact OD2-CE 3.39Å; D48-K187 IonicContact OD2-NZ 3.32Å; D48-K187 PolarHBondContact OD2-NZ 3.03Å
49D95.9Very high96.2Very high118 Ų11861.8 Ų61.863%0.63134%0.335SS*.SBendtrans-75.1-17.5176.562.6-14.9000112.7Q30 E47Q30-D49 PolarHBondContact NE2-OD1 2.98Å; E47-D49 PolarHBondContact O-N 3.12Å
50C95.8Very high95.8Very high54 Ų5466.2 Ų66.237%0.36535%0.354SS..SBendtrans-91.7-12.8178.7-68.10000113.1L28 D48L28-C50 HydrophobicContact CD1-CB 3.54Å; D48-C50 VanDerWaalsContact C-N 3.25Å; D48-C50 WeakPolarHBondContact OD1-CB 3.5Å; D48-C50 PolarHBondContact OD1-N 3.17Å; D48-C50 VanDerWaalsContact OD1-N 3.1Å
51F97.4Very high95.3Very high9 Ų967.9 Ų67.94%0.03936%0.363CS..SBendtrans-149.467.5176.4-162.6-109000110.6D48 W75 K183 A186 K187 Y192D48-F51 CarbonylContact O-C 3.58Å; D48-F51 PolarHBondContact OD1-N 2.78Å; F51-W75 HydrophobicContact CE1-CH2 4.35Å; F51-K183 HydrophobicContact CD1-CG 4.41Å; F51-K183 HydrophobicContact CE1-CG 4.08Å; F51-A186 HydrophobicContact CZ-CB 4.22Å; F51-K187 HydrophobicContact CB-CB 4.28Å; F51-K187 HydrophobicContact CB-CD 3.65Å; F51-K187 HydrophobicContact CB-CG 3.8Å; F51-K187 HydrophobicContact CD1-CB 4.13Å; F51-K187 HydrophobicContact CD2-CB 3.82Å; F51-K187 HydrophobicContact CD2-CG 3.9Å; F51-K187 HydrophobicContact CE1-CB 4.39Å; F51-K187 HydrophobicContact CE2-CB 4.12Å; F51-K187 HydrophobicContact CG-CB 3.82Å; F51-K187 HydrophobicContact CG-CD 4.14Å; F51-K187 HydrophobicContact CG-CG 3.85Å; F51-K187 HydrophobicContact CZ-CB 4.38Å; F51-Y192 HydrophobicContact CE1-CE2 4.16Å; F51-Y192 HydrophobicContact CZ-CD2 4.31Å; F51-Y192 HydrophobicContact CZ-CE2 4.36Å
52E96.6Very high94.9Very high100 Ų10065 Ų6547%0.46735%0.35SS..  trans-61.3153.1-171.8-59.1-177.8134.700112.6D48 L54 S57D48-E52 WeakPolarHBondContact O-CA 3.16Å; D48-E52 PolarHBondContact O-N 3.12Å; E52-L54 HydrophobicContact CB-CB 4.49Å; E52-L54 HydrophobicContact CB-CD1 4.05Å; E52-L54 HydrophobicContact CB-CG 3.96Å; E52-L54 PolarHBondContact O-N 3.46Å; E52-L54 WeakPolarHBondContact OE2-CD1 3.17Å; E52-S57 VanDerWaalsContact O-CB 3.31Å; E52-S57 WeakPolarHBondContact O-CB 3.17Å; E52-S57 PolarHBondContact O-OG 3.47Å
53A96.6Very high94.6Very high29 Ų2959 Ų5924%0.2433%0.328CS..SBendtrans-7357.3175.600000112.5W75A53-W75 HydrophobicContact CB-CB 3.76Å; A53-W75 HydrophobicContact CB-CD2 3.68Å; A53-W75 HydrophobicContact CB-CE3 4.11Å; A53-W75 HydrophobicContact CB-CG 3.53Å; A53-W75 PolarHBondContact O-NE1 3.39Å
54L94.8Very high94.2Very high74 Ų7455.7 Ų55.739%0.38729%0.294SS..SBendtrans-124.5161.1-174.4-66.8-177.5000111.8E52 S56 S57E52-L54 HydrophobicContact CB-CB 4.49Å; E52-L54 HydrophobicContact CB-CD1 4.05Å; E52-L54 HydrophobicContact CB-CG 3.96Å; E52-L54 PolarHBondContact O-N 3.46Å; E52-L54 WeakPolarHBondContact OE2-CD1 3.17Å; L54-S56 PolarHBondContact O-N 3.05Å; L54-S56 VanDerWaalsContact O-N 3.14Å; L54-S57 WeakPolarHBondContact O-CB 3.22Å; L54-S57 PolarHBondContact O-N 3.25Å
55P93Very high93.8Very high55 Ų5553.8 Ų53.836%0.35729%0.293SS..Hα-helixtrans-58.3-25.8177-26.235.5000114.6S57 L58 G59 P65P55-S57 PolarHBondContact O-N 2.97Å; P55-L58 WeakPolarHBondContact O-CB 3.3Å; P55-L58 PolarHBondContact O-N 2.92Å; P55-L58 VanDerWaalsContact O-N 3.11Å; P55-G59 PolarHBondContact O-N 3.17Å; P55-G59 VanDerWaalsContact O-N 3.14Å; P55-P65 HydrophobicContact CB-CB 4.11Å; P55-P65 HydrophobicContact CB-CG 4.09Å
56S92.1Very high93.4Very high62 Ų6257.9 Ų57.943%0.43432%0.315SS..Hα-helixtrans-62.1-29.217546.70000113.5L54L54-S56 PolarHBondContact O-N 3.05Å; L54-S56 VanDerWaalsContact O-N 3.14Å
57S95.6Very high93Very high7 Ų758 Ų585%0.04932%0.317CS..Hα-helixtrans-79.3-22.9176.9-55.30000111.7E52 L54 P55 C191 Y192E52-S57 VanDerWaalsContact O-CB 3.31Å; E52-S57 WeakPolarHBondContact O-CB 3.17Å; E52-S57 PolarHBondContact O-OG 3.47Å; L54-S57 WeakPolarHBondContact O-CB 3.22Å; L54-S57 PolarHBondContact O-N 3.25Å; P55-S57 PolarHBondContact O-N 2.97Å; S57-C191 CarbonylContact O-C 3.54Å; S57-C191 VanDerWaalsContact O-CA 3.22Å; S57-C191 WeakPolarHBondContact O-CA 3.15Å; S57-C191 VanDerWaalsContact O-CB 3.29Å; S57-C191 WeakPolarHBondContact O-CB 3.28Å; S57-Y192 WeakPolarHBondContact O-CD2 3.38Å; S57-Y192 PolarHBondContact O-N 3.49Å
58L94.9Very high92.6Very high4 Ų459.4 Ų59.42%0.02132%0.318CS..Hα-helixtrans-74.5-43.8171.1-60.2176.6000111P55 L63 V70 V73 W75 P159 F167 Y192 E193P55-L58 WeakPolarHBondContact O-CB 3.3Å; P55-L58 PolarHBondContact O-N 2.92Å; P55-L58 VanDerWaalsContact O-N 3.11Å; L58-L63 HydrophobicContact CB-CB 4.3Å; L58-V70 HydrophobicContact CB-CG1 4.35Å; L58-V70 HydrophobicContact CD1-CB 4.1Å; L58-V70 HydrophobicContact CD1-CG1 3.76Å; L58-V73 HydrophobicContact CD1-CB 4.39Å; L58-V73 HydrophobicContact CD1-CG1 3.97Å; L58-W75 HydrophobicContact CD2-CH2 4.44Å; L58-W75 HydrophobicContact CD2-CZ2 3.82Å; L58-W75 HydrophobicContact CG-CZ2 4.13Å; L58-P159 HydrophobicContact CD2-CB 3.85Å; L58-P159 HydrophobicContact CD2-CG 3.64Å; L58-F167 HydrophobicContact CD2-CE2 3.9Å; L58-F167 HydrophobicContact CD2-CZ 4.23Å; L58-Y192 HydrophobicContact CD2-CD2 4.29Å; L58-Y192 WeakPolarHBondContact O-CB 3.49Å; L58-E193 WeakPolarHBondContact O-CB 3.44Å; L58-E193 PolarHBondContact O-N 3.15Å
59G92Very high92.2Very high3 Ų362.8 Ų62.83%0.03133%0.333CS..  trans173.9-168-177.600000115.7P55 L63 E193P55-G59 PolarHBondContact O-N 3.17Å; P55-G59 VanDerWaalsContact O-N 3.14Å; G59-L63 WeakPolarHBondContact CA-O 3.34Å; G59-L63 PolarHBondContact N-O 3.33Å; G59-E193 VanDerWaalsContact CA-OE2 3.26Å; G59-E193 WeakPolarHBondContact CA-OE2 3.35Å
60F87.9Confident91.9Very high98 Ų9858 Ų5843%0.4331%0.308SS..SBendtrans-133.8-18.4-174.855.8-90.4000113.5E193 K422F60-E193 HydrophobicContact CE1-CB 4.33Å; F60-E193 HydrophobicContact CE1-CG 4.36Å; F60-E193 PolarHBondContact N-OE2 3.12Å; F60-K422 HydrophobicContact CD1-CD 4.22Å; F60-K422 HydrophobicContact CD1-CG 3.92Å; F60-K422 HydrophobicContact CE1-CG 3.98Å; F60-K422 HydrophobicContact CG-CG 4.2Å; F60-K422 HydrophobicContact CZ-CG 4.33Å
61N87.6Confident91.6Very high107 Ų10764.3 Ų64.357%0.57232%0.324SS*.SBendtrans-129.4-88.7179.2-178.739.4000111.1L63 G64 E193N61-L63 VanDerWaalsContact C-N 3.28Å; N61-L63 PolarHBondContact O-N 2.91Å; N61-G64 PolarHBondContact O-N 3.43Å; N61-G64 VanDerWaalsContact O-N 3.09Å; N61-E193 WeakPolarHBondContact CB-OE1 3.03Å; N61-E193 PolarHBondContact N-OE1 3.5Å; N61-E193 PolarHBondContact N-OE2 3.42Å
62E88.9Confident91.3Very high91 Ų9166.7 Ų66.743%0.42535%0.35SS..THydrogen-bonded Turntrans-65.1-31.7-179.8-71.8-67.7142.300112.3S67 K69 E193E62-S67 WeakPolarHBondContact O-CB 3.42Å; E62-S67 PolarHBondContact O-OG 3.1Å; E62-K69 WeakPolarHBondContact OE2-CE 3.27Å; E62-K69 IonicContact OE2-NZ 3.59Å; E62-K69 PolarHBondContact OE2-NZ 2.9Å; E62-E193 WeakPolarHBondContact CB-OE1 3.19Å; E62-E193 PolarHBondContact N-OE1 2.99Å; E62-E193 PolarHBondContact N-OE2 3Å
63L90.4Very high91.2Very high19 Ų1963 Ų6310%0.09934%0.335CS..THydrogen-bonded Turntrans-112.721.2172.6-59.5177.1000111.5L58 G59 N61 K69 V70 L102 F167 E193L58-L63 HydrophobicContact CB-CB 4.3Å; G59-L63 WeakPolarHBondContact CA-O 3.34Å; G59-L63 PolarHBondContact N-O 3.33Å; N61-L63 VanDerWaalsContact C-N 3.28Å; N61-L63 PolarHBondContact O-N 2.91Å; L63-K69 HydrophobicContact CD2-CB 4.03Å; L63-K69 HydrophobicContact CD2-CD 4.39Å; L63-V70 HydrophobicContact CB-CG1 4.25Å; L63-V70 HydrophobicContact CD2-CG1 4.45Å; L63-V70 VanDerWaalsContact O-CG1 3.29Å; L63-V70 WeakPolarHBondContact O-CG1 3.28Å; L63-L102 HydrophobicContact CD1-CD1 3.85Å; L63-F167 HydrophobicContact CD1-CE1 4.27Å; L63-F167 HydrophobicContact CD1-CZ 4.13Å; L63-E193 HydrophobicContact CB-CB 4.18Å; L63-E193 HydrophobicContact CB-CG 4.44Å; L63-E193 HydrophobicContact CD1-CB 4.26Å; L63-E193 PolarHBondContact N-OE2 3.09Å
64G89.6Confident91.2Very high2 Ų265.4 Ų65.42%0.02135%0.346CS..SBendtrans-75.4169.7176.600000113.6N61 N66 S67 V70N61-G64 PolarHBondContact O-N 3.43Å; N61-G64 VanDerWaalsContact O-N 3.09Å; G64-N66 PolarHBondContact O-N 3.4Å; G64-S67 VanDerWaalsContact O-CB 3.31Å; G64-S67 WeakPolarHBondContact O-CB 3.47Å; G64-S67 PolarHBondContact O-N 3.27Å; G64-V70 VanDerWaalsContact O-CG2 3.26Å; G64-V70 WeakPolarHBondContact O-CG2 3.2Å
65P88.4Confident91.3Very high80 Ų8064 Ų6452%0.51934%0.336SS..THydrogen-bonded Turntrans-56.4-28.4-175.6-24.631.3000115.4P55P55-P65 HydrophobicContact CB-CB 4.11Å; P55-P65 HydrophobicContact CB-CG 4.09Å
66N88.8Confident91.5Very high159 Ų15962.9 Ų62.985%0.8533%0.328SS*.THydrogen-bonded Turntrans-91.4-5.2-178.3-64.6-39.2000113.5G64G64-N66 PolarHBondContact O-N 3.4Å
67S91.1Very high91.8Very high15 Ų1560.9 Ų60.911%0.10531%0.311CS..  trans-72.9143.3-177.7-179.40000111.5E62 G64 K69 V70E62-S67 WeakPolarHBondContact O-CB 3.42Å; E62-S67 PolarHBondContact O-OG 3.1Å; G64-S67 VanDerWaalsContact O-CB 3.31Å; G64-S67 WeakPolarHBondContact O-CB 3.47Å; G64-S67 PolarHBondContact O-N 3.27Å; S67-K69 PolarHBondContact O-N 2.96Å; S67-K69 WeakPolarHBondContact OG-CB 3.05Å; S67-K69 PolarHBondContact OG-N 3.36Å; S67-K69 VanDerWaalsContact OG-N 3.09Å; S67-V70 VanDerWaalsContact O-CG2 3.25Å; S67-V70 WeakPolarHBondContact O-CG2 3.17Å
68Y90.2Very high91.9Very high160 Ų16060.6 Ų60.663%0.62731%0.309SS*.G310 helixtrans-67.7-23.4170.370.1-86.3000111.7V70 R71Y68-V70 PolarHBondContact O-N 3.2Å; Y68-R71 PolarHBondContact O-N 3.3Å
69K88Confident91.9Very high73 Ų7363 Ų6332%0.31732%0.324SS..G310 helixtrans-67.2-22.2-178.4-65.7-178.1175.3169.70113.4E62 L63 S67 R161E62-K69 WeakPolarHBondContact OE2-CE 3.27Å; E62-K69 IonicContact OE2-NZ 3.59Å; E62-K69 PolarHBondContact OE2-NZ 2.9Å; L63-K69 HydrophobicContact CD2-CB 4.03Å; L63-K69 HydrophobicContact CD2-CD 4.39Å; S67-K69 PolarHBondContact O-N 2.96Å; S67-K69 WeakPolarHBondContact OG-CB 3.05Å; S67-K69 PolarHBondContact OG-N 3.36Å; S67-K69 VanDerWaalsContact OG-N 3.09Å; K69-R161 PolarHBondContact O-NH2 2.85Å
70V91.3Very high92Very high17 Ų1768.8 Ų68.810%0.10335%0.354CS..G310 helixtrans-96.3-4.9178.5-59.80000113.7L58 L63 G64 S67 Y68 G72 V73L58-V70 HydrophobicContact CB-CG1 4.35Å; L58-V70 HydrophobicContact CD1-CB 4.1Å; L58-V70 HydrophobicContact CD1-CG1 3.76Å; L63-V70 HydrophobicContact CB-CG1 4.25Å; L63-V70 HydrophobicContact CD2-CG1 4.45Å; L63-V70 VanDerWaalsContact O-CG1 3.29Å; L63-V70 WeakPolarHBondContact O-CG1 3.28Å; G64-V70 VanDerWaalsContact O-CG2 3.26Å; G64-V70 WeakPolarHBondContact O-CG2 3.2Å; S67-V70 VanDerWaalsContact O-CG2 3.25Å; S67-V70 WeakPolarHBondContact O-CG2 3.17Å; Y68-V70 PolarHBondContact O-N 3.2Å; V70-G72 PolarHBondContact O-N 3.07Å; V70-V73 WeakPolarHBondContact O-CB 3.44Å; V70-V73 WeakPolarHBondContact O-CG2 3.45Å; V70-V73 PolarHBondContact O-N 3.3Å
71R89.1Confident92.2Very high187 Ų18766.6 Ų66.671%0.70635%0.347SS*.THydrogen-bonded Turntrans-67.1132.5178.7-67.6-177.9-176.31791.5110.3Y68 V73Y68-R71 PolarHBondContact O-N 3.3Å; R71-V73 PolarHBondContact O-N 3.05Å
72G90.6Very high92.4Very high58 Ų5862.9 Ų62.960%0.59833%0.329SS*.THydrogen-bonded Turntrans76.63.2-178.700000114.3V70V70-G72 PolarHBondContact O-N 3.07Å
73V95Very high92.4Very high24 Ų2470.8 Ų70.815%0.14536%0.355CS..  trans-74130.9170.9178.50000109.1L58 V70 R71 P159 T160 L166L58-V73 HydrophobicContact CD1-CB 4.39Å; L58-V73 HydrophobicContact CD1-CG1 3.97Å; V70-V73 WeakPolarHBondContact O-CB 3.44Å; V70-V73 WeakPolarHBondContact O-CG2 3.45Å; V70-V73 PolarHBondContact O-N 3.3Å; R71-V73 PolarHBondContact O-N 3.05Å; V73-P159 HydrophobicContact CG1-CB 4.04Å; V73-T160 WeakPolarHBondContact CA-O 3.38Å; V73-L166 HydrophobicContact CG1-CD2 4.39Å; V73-L166 HydrophobicContact CG2-CD2 3.9Å
74T96.1Very high92.5Very high78 Ų7874.6 Ų74.648%0.47938%0.375SS..EExtended strand (participates in β ladder)trans-126.3152.917655.50000109.8T160T74-T160 PolarHBondContact N-O 2.92Å; T74-T160 PolarHBondContact O-N 2.96Å; T74-T160 PolarHBondContact O-OG1 3.21Å; T74-T160 PolarHBondContact OG1-OG1 3.08Å
75W97.6Very high92.7Very high46 Ų4675.1 Ų75.117%0.17438%0.378CS..EExtended strand (participates in β ladder)trans-101.2116.6179.8-70.281000109.2F51 A53 L58 R157 L158 P159 Y192F51-W75 HydrophobicContact CE1-CH2 4.35Å; A53-W75 HydrophobicContact CB-CB 3.76Å; A53-W75 HydrophobicContact CB-CD2 3.68Å; A53-W75 HydrophobicContact CB-CE3 4.11Å; A53-W75 HydrophobicContact CB-CG 3.53Å; A53-W75 PolarHBondContact O-NE1 3.39Å; L58-W75 HydrophobicContact CD2-CH2 4.44Å; L58-W75 HydrophobicContact CD2-CZ2 3.82Å; L58-W75 HydrophobicContact CG-CZ2 4.13Å; W75-R157 HydrophobicContact CB-CB 4.24Å; W75-R157 HydrophobicContact CE3-CB 4.14Å; W75-R157 VanDerWaalsContact CE3-O 3.23Å; W75-R157 WeakPolarHBondContact CZ3-O 3.22Å; W75-L158 WeakPolarHBondContact CA-O 3.41Å; W75-P159 HydrophobicContact CD2-CG 4.23Å; W75-P159 HydrophobicContact CE3-CG 3.99Å; W75-P159 HydrophobicContact CH2-CG 3.76Å; W75-P159 HydrophobicContact CZ2-CG 3.98Å; W75-P159 HydrophobicContact CZ3-CG 3.75Å; W75-Y192 AromaticContact CH2-CE2 3.99Å; W75-Y192 HydrophobicContact CH2-CE2 3.99Å; W75-Y192 HydrophobicContact CZ3-CE2 4.46Å
76T97.2Very high93Very high30 Ų3074.7 Ų74.718%0.18437%0.368CS..EExtended strand (participates in β ladder)trans-128.1141.7-170.4-50.10000109.5D80 L81 L158 T160T76-D80 HydrophobicContact CG2-CB 3.65Å; T76-L81 HydrophobicContact CG2-CD2 3.68Å; T76-L81 HydrophobicContact CG2-CG 3.79Å; T76-L158 PolarHBondContact N-O 2.96Å; T76-L158 PolarHBondContact O-N 3.41Å; T76-T160 PolarHBondContact OG1-OG1 3.08Å
77R97.9Very high93.1Very high21 Ų2167.4 Ų67.48%0.07933%0.329CS..  trans-84.8151.3177.7-62-174.1-175-100.74.1110.5F46 T79 D80 L81 G137 D156 R157F46-R77 PolarHBondContact O-NH1 2.87Å; F46-R77 PolarHBondContact O-NH2 3.08Å; R77-T79 PolarHBondContact O-N 3.33Å; R77-T79 VanDerWaalsContact O-N 3.13Å; R77-D80 PolarHBondContact O-N 2.82Å; R77-L81 PolarHBondContact O-N 3.24Å; R77-G137 PolarHBondContact NH1-O 3.28Å; R77-D156 WeakPolarHBondContact CD-OD1 3.48Å; R77-D156 VanDerWaalsContact CG-OD1 3.23Å; R77-D156 WeakPolarHBondContact CG-OD1 3.44Å; R77-D156 IonicContact CZ-OD1 3.19Å; R77-D156 IonicContact NE-OD1 4Å; R77-D156 IonicContact NH1-OD1 3.38Å; R77-D156 PolarHBondContact NH1-OD1 2.82Å; R77-R157 HydrophobicContact CG-CG 3.88Å
78P96.8Very high93Very high0 Ų068.7 Ų68.70%033%0.334CS..Hα-helixtrans-49.9-35.7173.3-3438000114.5D80 L81 C82 P85 F131 D156 L158 F176P78-D80 PolarHBondContact O-N 3.28Å; P78-L81 PolarHBondContact O-N 2.8Å; P78-L81 VanDerWaalsContact O-N 3.11Å; P78-C82 PolarHBondContact O-N 2.92Å; P78-P85 HydrophobicContact CB-CB 3.77Å; P78-P85 HydrophobicContact CB-CG 4.49Å; P78-F131 HydrophobicContact CB-CD1 4.42Å; P78-F131 HydrophobicContact CB-CE1 3.67Å; P78-F131 HydrophobicContact CB-CZ 3.82Å; P78-F131 HydrophobicContact CG-CE1 3.72Å; P78-F131 HydrophobicContact CG-CZ 3.7Å; P78-D156 WeakPolarHBondContact CD-O 3.48Å; P78-D156 HydrophobicContact CG-CB 4.43Å; P78-L158 HydrophobicContact CG-CD1 4.18Å; P78-F176 HydrophobicContact CB-CD1 3.88Å; P78-F176 HydrophobicContact CB-CD2 3.74Å; P78-F176 HydrophobicContact CB-CE1 3.89Å; P78-F176 HydrophobicContact CB-CE2 3.77Å; P78-F176 HydrophobicContact CB-CG 3.8Å; P78-F176 HydrophobicContact CB-CZ 3.84Å; P78-F176 HydrophobicContact CG-CB 4.15Å; P78-F176 HydrophobicContact CG-CD1 3.64Å; P78-F176 HydrophobicContact CG-CD2 4.18Å; P78-F176 HydrophobicContact CG-CE1 4.03Å; P78-F176 HydrophobicContact CG-CG 3.72Å; P78-F176 HydrophobicContact CG-CZ 4.48Å
79T95.5Very high92.2Very high55 Ų5562.9 Ų62.934%0.33732%0.317SS..Hα-helixtrans-63.8-23.117745.40000114.1R77 P85 F131 Y135R77-T79 PolarHBondContact O-N 3.33Å; R77-T79 VanDerWaalsContact O-N 3.13Å; T79-P85 HydrophobicContact CG2-CG 3.92Å; T79-F131 HydrophobicContact CG2-CD1 4.49Å; T79-Y135 HydrophobicContact CG2-CE1 4.09Å
80D94.8Very high91.3Very high124 Ų12468 Ų6866%0.66334%0.342SS*.Hα-helixtrans-93.8-20.1174.5-60.7-46.4000112.4T76 R77 P78T76-D80 HydrophobicContact CG2-CB 3.65Å; R77-D80 PolarHBondContact O-N 2.82Å; P78-D80 PolarHBondContact O-N 3.28Å
81L92.1Very high90.3Very high52 Ų5271 Ų7127%0.27236%0.357SS..Hα-helixtrans-87.8-38.5-177.9-66.4173000112.9T76 R77 P78 T160 L165 F176T76-L81 HydrophobicContact CG2-CD2 3.68Å; T76-L81 HydrophobicContact CG2-CG 3.79Å; R77-L81 PolarHBondContact O-N 3.24Å; P78-L81 PolarHBondContact O-N 2.8Å; P78-L81 VanDerWaalsContact O-N 3.11Å; L81-T160 HydrophobicContact CD1-CG2 3.94Å; L81-T160 HydrophobicContact CD2-CG2 4.05Å; L81-L165 HydrophobicContact CD1-CD2 3.97Å; L81-L165 HydrophobicContact CD1-CG 4.36Å; L81-F176 HydrophobicContact CD1-CE1 4.31Å
82C90.7Very high89.4Confident29 Ų2962.7 Ų62.720%0.19633%0.329CS..  trans-139.6157.2-179.981.20000112.2P78 N84 P85 F176P78-C82 PolarHBondContact O-N 2.92Å; C82-N84 PolarHBondContact O-N 3.04Å; C82-P85 VanDerWaalsContact SG-CA 3.5Å; C82-F176 VanDerWaalsContact SG-CE2 3.56Å
83R89.8Confident88.3Confident258 Ų25862.5 Ų62.597%0.97432%0.316SS*.SBendtrans-72.7-27.2-172.5-70.9-176.1178.5175.50.6114.4
84N92Very high86.8Confident98 Ų9861.6 Ų61.652%0.52431%0.31SS..SBendtrans-141.370.8-175-171.640.4000108.9C82 K86C82-N84 PolarHBondContact O-N 3.04Å; N84-K86 PolarHBondContact O-N 3.11Å
85P94.7Very high85.1Confident13 Ų1361.4 Ų61.48%0.08431%0.309CS..  trans-64.4136.2179.428.4-34.5000109.5P78 T79 C82 F131 F176P78-P85 HydrophobicContact CB-CB 3.77Å; P78-P85 HydrophobicContact CB-CG 4.49Å; T79-P85 HydrophobicContact CG2-CG 3.92Å; C82-P85 VanDerWaalsContact SG-CA 3.5Å; P85-F131 HydrophobicContact CB-CB 4.36Å; P85-F131 HydrophobicContact CB-CD1 4.15Å; P85-F131 HydrophobicContact CB-CD2 4.02Å; P85-F131 HydrophobicContact CB-CE1 4.49Å; P85-F131 HydrophobicContact CB-CE2 4.36Å; P85-F131 HydrophobicContact CB-CG 3.92Å; P85-F131 HydrophobicContact CG-CB 3.97Å; P85-F131 HydrophobicContact CG-CD1 4.1Å; P85-F131 HydrophobicContact CG-CG 3.96Å; P85-F131 WeakPolarHBondContact O-CB 3.17Å; P85-F176 HydrophobicContact CB-CD2 4.04Å; P85-F176 HydrophobicContact CB-CE2 3.79Å
86K93.1Very high83.6Confident71 Ų7159.4 Ų59.431%0.30930%0.301SS..BIsolated β-bridgetrans-116.6144.4174.4-62.4-177-176.6174.40108.4N84 S89 F131 S174 E175 F176N84-K86 PolarHBondContact O-N 3.11Å; K86-S89 VanDerWaalsContact CD-CB 3.4Å; K86-F131 VanDerWaalsContact C-CD2 3.43Å; K86-F131 WeakPolarHBondContact O-CE2 3.39Å; K86-S174 PolarHBondContact N-O 3.22Å; K86-E175 WeakPolarHBondContact O-CA 3.28Å; K86-F176 PolarHBondContact O-N 3.28Å
87F92.9Very high82.4Confident7 Ų758.8 Ų58.83%0.03130%0.297CS..SBendtrans-73.5-61.3171.3-174.2-114.9000107.9V125 Q129 F131 F139 F141 W177 L180F87-V125 HydrophobicContact CE1-CG1 3.68Å; F87-V125 HydrophobicContact CZ-CG1 3.77Å; F87-Q129 HydrophobicContact CD1-CB 3.77Å; F87-Q129 HydrophobicContact CE1-CB 3.71Å; F87-Q129 HydrophobicContact CE1-CG 4.38Å; F87-Q129 HydrophobicContact CE2-CB 4.49Å; F87-Q129 HydrophobicContact CG-CB 4.2Å; F87-Q129 HydrophobicContact CZ-CB 4.09Å; F87-F131 HydrophobicContact CB-CD2 4.2Å; F87-F131 HydrophobicContact CB-CE2 4.15Å; F87-F131 HydrophobicContact CD2-CE2 4.43Å; F87-F139 HydrophobicContact CB-CE1 4.4Å; F87-F139 AromaticContact CD2-CD1 3.58Å; F87-F139 HydrophobicContact CD2-CD1 3.58Å; F87-F139 AromaticContact CD2-CE1 3.41Å; F87-F139 HydrophobicContact CD2-CE1 3.41Å; F87-F139 VanDerWaalsContact CD2-CE1 3.41Å; F87-F139 HydrophobicContact CD2-CZ 4.39Å; F87-F139 AromaticContact CE2-CD1 3.47Å; F87-F139 HydrophobicContact CE2-CD1 3.47Å; F87-F139 VanDerWaalsContact CE2-CD1 3.47Å; F87-F139 AromaticContact CE2-CE1 3.86Å; F87-F139 HydrophobicContact CE2-CE1 3.86Å; F87-F139 HydrophobicContact CE2-CG 4.35Å; F87-F139 HydrophobicContact CG-CD1 4.41Å; F87-F139 HydrophobicContact CG-CE1 4.04Å; F87-F139 HydrophobicContact CZ-CD1 4.24Å; F87-F141 HydrophobicContact CE2-CE1 4.41Å; F87-F141 AromaticContact CE2-CZ 3.99Å; F87-F141 HydrophobicContact CE2-CZ 3.99Å; F87-F141 AromaticContact CZ-CE1 3.95Å; F87-F141 HydrophobicContact CZ-CE1 3.95Å; F87-F141 AromaticContact CZ-CZ 3.97Å; F87-F141 HydrophobicContact CZ-CZ 3.97Å; F87-W177 HydrophobicContact CD1-CB 4.44Å; F87-W177 HydrophobicContact CD2-CB 4.08Å; F87-W177 HydrophobicContact CE1-CB 4.24Å; F87-W177 HydrophobicContact CE2-CB 3.87Å; F87-W177 HydrophobicContact CG-CB 4.37Å; F87-W177 HydrophobicContact CZ-CB 3.96Å; F87-W177 VanDerWaalsContact O-CB 3.31Å; F87-W177 WeakPolarHBondContact O-CB 3.33Å; F87-W177 PolarHBondContact O-N 3.13Å; F87-L180 HydrophobicContact CD2-CD1 4.17Å; F87-L180 HydrophobicContact CE2-CD1 4.05Å
88I88.9Confident81.1Confident41 Ų4159.7 Ų59.721%0.2131%0.306CS..  trans-133.5135169.9-60.7168.1000106.7A92 V125 W177I88-A92 HydrophobicContact CD1-CB 4.26Å; I88-A92 HydrophobicContact CG1-CB 4.49Å; I88-A92 HydrophobicContact CG2-CB 4.17Å; I88-V125 HydrophobicContact CD1-CG1 4.09Å; I88-W177 HydrophobicContact CD1-CB 4.44Å; I88-W177 HydrophobicContact CD1-CG 4.42Å; I88-W177 HydrophobicContact CG1-CB 3.82Å; I88-W177 HydrophobicContact CG1-CG 3.74Å
89S72.9Confident80Confident39 Ų3962.7 Ų62.727%0.27332%0.32SS..SBendtrans-86.5-47.3-172.9710000115.3K86 E175K86-S89 VanDerWaalsContact CD-CB 3.4Å; S89-E175 WeakPolarHBondContact CA-OE1 3.29Å; S89-E175 WeakPolarHBondContact CB-OE1 3.48Å; S89-E175 PolarHBondContact N-OE1 3.26Å; S89-E175 PolarHBondContact OG-OE1 3.01Å
90E67.9Low79.2Confident180 Ų18061.1 Ų61.184%0.84132%0.315SS*.SBendtrans-138.1-58.3176.9-69.4-170.6173.700110.5
91D70.4Confident78.2Confident80 Ų8059.1 Ų59.143%0.42832%0.315SS..SBendtrans-134.9143.1170.7-84.8-38.8000107.7T93 K118D91-T93 HydrophobicContact CB-CG2 4.19Å; D91-T93 WeakPolarHBondContact O-CG2 3.47Å; D91-T93 PolarHBondContact O-N 2.94Å; D91-T93 VanDerWaalsContact O-N 3.13Å; D91-K118 WeakPolarHBondContact OD1-CE 3.34Å; D91-K118 IonicContact OD1-NZ 2.63Å; D91-K118 PolarHBondContact OD1-NZ 3.46Å; D91-K118 IonicContact OD2-NZ 3.24Å; D91-K118 PolarHBondContact OD2-NZ 3.34Å
92A70.7Confident77.5Confident12 Ų1257 Ų5710%0.09931%0.305CS..  trans-69.8112.7168.800000107.7I88 L121 W177I88-A92 HydrophobicContact CD1-CB 4.26Å; I88-A92 HydrophobicContact CG1-CB 4.49Å; I88-A92 HydrophobicContact CG2-CB 4.17Å; A92-L121 HydrophobicContact CB-CD2 3.38Å; A92-W177 HydrophobicContact CB-CD2 4.47Å; A92-W177 HydrophobicContact CB-CH2 4.43Å; A92-W177 HydrophobicContact CB-CZ2 3.83Å
93T67.9Low76.6Confident54 Ų5457.5 Ų57.533%0.33131%0.314SS..  trans-115.3158.3-178.169.60000109.9D91 T95 D96D91-T93 HydrophobicContact CB-CG2 4.19Å; D91-T93 WeakPolarHBondContact O-CG2 3.47Å; D91-T93 PolarHBondContact O-N 2.94Å; D91-T93 VanDerWaalsContact O-N 3.13Å; T93-T95 PolarHBondContact O-N 3.1Å; T93-T95 PolarHBondContact OG1-OG1 3.3Å; T93-D96 PolarHBondContact N-OD2 3.43Å; T93-D96 VanDerWaalsContact O-CB 3.25Å; T93-D96 WeakPolarHBondContact O-CB 3.38Å; T93-D96 PolarHBondContact O-N 3.43Å; T93-D96 VanDerWaalsContact O-N 3.1Å; T93-D96 PolarHBondContact OG1-OD1 3.39Å
94R62.9Low76Confident5 Ų545.2 Ų45.22%0.01927%0.268CS..G310 helixtrans-64.7-18.2178.562.3162.5-173.1-166.30.9114.7D96 I97 A112 T115 R285 N286 D321R94-D96 PolarHBondContact O-N 2.88Å; R94-I97 WeakPolarHBondContact O-CB 3.25Å; R94-I97 PolarHBondContact O-N 3.38Å; R94-A112 HydrophobicContact CB-CB 4.08Å; R94-T115 PolarHBondContact N-OG1 2.93Å; R94-R285 VanDerWaalsContact CZ-CD 3.46Å; R94-R285 VanDerWaalsContact CZ-NH2 3.3Å; R94-R285 VanDerWaalsContact NH1-CB 3.34Å; R94-R285 VanDerWaalsContact NH1-NE 3.18Å; R94-R285 VanDerWaalsContact NH2-CZ 3.26Å; R94-N286 VanDerWaalsContact NH1-C 3.32Å; R94-N286 PolarHBondContact NH1-O 3.27Å; R94-N286 PolarHBondContact NH2-O 2.96Å; R94-N286 VanDerWaalsContact NH2-O 3.1Å; R94-D321 PolarHBondContact NH2-O 3.23Å
95T61.1Low75.1Confident74 Ų7442.7 Ų42.745%0.45426%0.257SS..G310 helixtrans-68.1-11.4175.644.70000112.1T93 I97 A171T93-T95 PolarHBondContact O-N 3.1Å; T93-T95 PolarHBondContact OG1-OG1 3.3Å; T95-I97 PolarHBondContact O-N 3.36Å; T95-A171 PolarHBondContact O-N 2.95Å
96D65.1Low74.4Confident4 Ų442.6 Ų42.62%0.02126%0.255CS..G310 helixtrans-80.32176.1-41.5-17.9000111.8T93 R94 H169 S170 E175 W177 S178T93-D96 PolarHBondContact N-OD2 3.43Å; T93-D96 VanDerWaalsContact O-CB 3.25Å; T93-D96 WeakPolarHBondContact O-CB 3.38Å; T93-D96 PolarHBondContact O-N 3.43Å; T93-D96 VanDerWaalsContact O-N 3.1Å; T93-D96 PolarHBondContact OG1-OD1 3.39Å; R94-D96 PolarHBondContact O-N 2.88Å; D96-H169 CarbonylContact O-C 3.15Å; D96-S170 WeakPolarHBondContact O-CA 3.22Å; D96-S170 PolarHBondContact O-N 3.06Å; D96-E175 VanDerWaalsContact OD1-OE2 3.08Å; D96-W177 HydrophobicContact CB-CZ2 4.12Å; D96-W177 PolarHBondContact OD2-NE1 3.04Å; D96-S178 WeakPolarHBondContact O-CB 3.28Å; D96-S178 PolarHBondContact O-OG 2.93Å
97I72.7Confident73.9Confident17 Ų1739.2 Ų39.29%0.08724%0.241CC..  trans-125.990.9-171.2-50.4164.7000109.4R94 T95 L108 I111 A112 T115 V168 W177R94-I97 WeakPolarHBondContact O-CB 3.25Å; R94-I97 PolarHBondContact O-N 3.38Å; T95-I97 PolarHBondContact O-N 3.36Å; I97-L108 HydrophobicContact CG2-CB 3.73Å; I97-L108 HydrophobicContact CG2-CD2 3.92Å; I97-L108 HydrophobicContact CG2-CG 3.62Å; I97-I111 HydrophobicContact CD1-CB 3.94Å; I97-I111 HydrophobicContact CD1-CG2 3.46Å; I97-I111 VanDerWaalsContact CD1-CG2 3.46Å; I97-I111 HydrophobicContact CG1-CG2 4.15Å; I97-A112 VanDerWaalsContact CD1-CA 3.46Å; I97-A112 HydrophobicContact CD1-CB 3.91Å; I97-T115 HydrophobicContact CD1-CG2 4.22Å; I97-V168 HydrophobicContact CG2-CG1 4.33Å; I97-W177 HydrophobicContact CD1-CH2 4.2Å; I97-W177 HydrophobicContact CD1-CZ2 4.44Å; I97-W177 HydrophobicContact CG1-CH2 4.43Å; I97-W177 HydrophobicContact CG1-CZ2 4.36Å
98C70.9Confident73.3Confident41 Ų4139.5 Ų39.528%0.27724%0.242SC..BIsolated β-bridgetrans-109.7135.6170.2-66.60000110V168 H169C98-V168 WeakPolarHBondContact O-CA 3.22Å; C98-H169 WeakPolarHBondContact CA-O 3.31Å; C98-H169 VanDerWaalsContact CB-O 3.28Å; C98-H169 WeakPolarHBondContact CB-O 3.48Å; C98-H169 PolarHBondContact N-O 2.85Å; C98-H169 PolarHBondContact O-N 3.2Å
99Q72.7Confident72.7Confident63 Ų6338 Ų3829%0.29424%0.236SC..  trans-70.6133.7-179.9-165.3177.5-21.700111.7L102 C105 L108 E251Q99-L102 PolarHBondContact NE2-O 3.5Å; Q99-C105 VanDerWaalsContact OE1-CB 3.26Å; Q99-L108 HydrophobicContact CB-CD2 3.52Å; Q99-L108 HydrophobicContact CG-CD2 3.87Å; Q99-E251 PolarHBondContact OE1-OE1 3.18Å
100G78.6Confident73.2Confident22 Ų2236.1 Ų36.123%0.22722%0.223CC..  trans-92.3-150.9169.900000112.5L102 L166G100-L102 PolarHBondContact O-N 3.32Å; G100-L166 WeakPolarHBondContact CA-O 3.18Å
101A73.7Confident73.9Confident81 Ų8127.6 Ų27.667%0.66918%0.183SC*.SBendtrans-8310.2-174.600000114.8L166A101-L166 HydrophobicContact CB-CD1 3.88Å; A101-L166 HydrophobicContact CB-CG 4.41Å; A101-L166 PolarHBondContact N-O 2.88Å
102L78.2Confident74.3Confident9 Ų923.9 Ų23.95%0.04716%0.164CC..SBendtrans-100.1147-178.8-170.360.8000111.2L63 Q99 G100 D104 F167 Y192 L195L63-L102 HydrophobicContact CD1-CD1 3.85Å; Q99-L102 PolarHBondContact NE2-O 3.5Å; G100-L102 PolarHBondContact O-N 3.32Å; L102-D104 WeakPolarHBondContact CB-OD1 3.35Å; L102-D104 HydrophobicContact CD2-CB 4.11Å; L102-D104 HydrophobicContact CG-CB 4.02Å; L102-D104 PolarHBondContact O-N 2.73Å; L102-D104 VanDerWaalsContact O-N 3.11Å; L102-F167 HydrophobicContact CB-CD1 3.66Å; L102-F167 HydrophobicContact CB-CE1 3.84Å; L102-F167 HydrophobicContact CD1-CE1 4.43Å; L102-F167 HydrophobicContact CD2-CD1 4.29Å; L102-F167 HydrophobicContact CD2-CE1 4.31Å; L102-F167 HydrophobicContact CG-CE1 4.44Å; L102-Y192 HydrophobicContact CD2-CD1 4.25Å; L102-L195 HydrophobicContact CD2-CB 4.17Å
103G71.8Confident74.7Confident39 Ų3923.4 Ų23.440%0.40216%0.16SC..SBendtrans-83.946.7179.200000113G197G103-G197 PolarHBondContact O-N 3.23Å
104D76.6Confident75.4Confident0 Ų020.9 Ų20.90%014%0.144CC..  trans-117.823.9-172.671.3-35.3000113.1L102 W106 L107 L108 L195L102-D104 WeakPolarHBondContact CB-OD1 3.35Å; L102-D104 HydrophobicContact CD2-CB 4.11Å; L102-D104 HydrophobicContact CG-CB 4.02Å; L102-D104 PolarHBondContact O-N 2.73Å; L102-D104 VanDerWaalsContact O-N 3.11Å; D104-W106 PolarHBondContact O-N 3.04Å; D104-L107 HydrophobicContact CB-CB 4.4Å; D104-L107 WeakPolarHBondContact O-CA 3.39Å; D104-L107 VanDerWaalsContact O-CB 3.29Å; D104-L107 WeakPolarHBondContact O-CB 3.44Å; D104-L107 PolarHBondContact O-N 3.28Å; D104-L108 WeakPolarHBondContact O-CD1 3.31Å; D104-L108 PolarHBondContact O-N 2.96Å; D104-L108 WeakPolarHBondContact OD2-CD1 3.35Å; D104-L195 HydrophobicContact CB-CB 4.19Å
105C73.6Confident76.3Confident44 Ų4421.4 Ų21.430%0.29715%0.148SC..Hα-helixtrans-46.5-31.4175.960.40000114.3Q99 L107 L108 A109Q99-C105 VanDerWaalsContact OE1-CB 3.26Å; C105-L107 VanDerWaalsContact C-N 3.33Å; C105-L107 PolarHBondContact O-N 2.64Å; C105-L108 PolarHBondContact O-N 3.32Å; C105-A109 PolarHBondContact O-N 2.91Å
106W79.3Confident77.1Confident12 Ų1221.4 Ų21.45%0.04515%0.145CC..Hα-helixtrans-59.8-39.1173.868.8-90.7000113.1D104 A110 Y185 L195 G198 S199 T200 E202D104-W106 PolarHBondContact O-N 3.04Å; W106-A110 PolarHBondContact O-N 2.87Å; W106-Y185 AromaticContact CH2-CE1 3.8Å; W106-Y185 HydrophobicContact CH2-CE1 3.8Å; W106-L195 PolarHBondContact NE1-O 3.32Å; W106-G198 VanDerWaalsContact CG-C 3.43Å; W106-G198 VanDerWaalsContact NE1-N 3.17Å; W106-S199 WeakPolarHBondContact CZ3-O 3.3Å; W106-T200 PolarHBondContact O-OG1 3.39Å; W106-E202 HydrophobicContact CZ3-CB 4.04Å
107L83.2Confident77.8Confident0 Ų022.1 Ų22.10%015%0.148CC..Hα-helixtrans-71.3-45.9179.1-176.465.5000110D104 C105 A109 A110 I111 E182 Y185 L195 F207D104-L107 HydrophobicContact CB-CB 4.4Å; D104-L107 WeakPolarHBondContact O-CA 3.39Å; D104-L107 VanDerWaalsContact O-CB 3.29Å; D104-L107 WeakPolarHBondContact O-CB 3.44Å; D104-L107 PolarHBondContact O-N 3.28Å; C105-L107 VanDerWaalsContact C-N 3.33Å; C105-L107 PolarHBondContact O-N 2.64Å; L107-A109 PolarHBondContact O-N 2.85Å; L107-A110 WeakPolarHBondContact O-CA 3.27Å; L107-A110 WeakPolarHBondContact O-CB 3.48Å; L107-A110 PolarHBondContact O-N 3.26Å; L107-I111 HydrophobicContact CG-CD1 4.13Å; L107-I111 WeakPolarHBondContact O-CG1 3.18Å; L107-I111 PolarHBondContact O-N 3.18Å; L107-E182 HydrophobicContact CD2-CG 4.43Å; L107-Y185 HydrophobicContact CD1-CD1 3.7Å; L107-Y185 HydrophobicContact CD1-CE1 3.62Å; L107-Y185 HydrophobicContact CD1-CG 4.32Å; L107-Y185 HydrophobicContact CD2-CD1 3.6Å; L107-Y185 HydrophobicContact CD2-CE1 4.18Å; L107-Y185 HydrophobicContact CD2-CG 4.37Å; L107-Y185 HydrophobicContact CG-CD1 4.32Å; L107-L195 HydrophobicContact CD2-CD1 3.99Å; L107-F207 HydrophobicContact CD1-CE1 4.31Å; L107-F207 HydrophobicContact CD1-CE2 3.97Å; L107-F207 HydrophobicContact CD1-CZ 3.42Å; L107-F207 VanDerWaalsContact CD1-CZ 3.42Å; L107-F207 HydrophobicContact CG-CZ 4.32Å
108L79.7Confident78.3Confident13 Ų1327.2 Ų27.27%0.06817%0.17CC..Hα-helixtrans-59.1-38.5178.2-80.168.3000111.8I97 Q99 D104 C105 A110 I111 A112 V168I97-L108 HydrophobicContact CG2-CB 3.73Å; I97-L108 HydrophobicContact CG2-CD2 3.92Å; I97-L108 HydrophobicContact CG2-CG 3.62Å; Q99-L108 HydrophobicContact CB-CD2 3.52Å; Q99-L108 HydrophobicContact CG-CD2 3.87Å; D104-L108 WeakPolarHBondContact O-CD1 3.31Å; D104-L108 PolarHBondContact O-N 2.96Å; D104-L108 WeakPolarHBondContact OD2-CD1 3.35Å; C105-L108 PolarHBondContact O-N 3.32Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-I111 PolarHBondContact O-N 2.96Å; L108-A112 VanDerWaalsContact O-CB 3.27Å; L108-A112 WeakPolarHBondContact O-CB 3.45Å; L108-A112 PolarHBondContact O-N 3.27Å; L108-V168 HydrophobicContact CD1-CG2 3.43Å; L108-V168 VanDerWaalsContact CD1-CG2 3.43Å; L108-V168 HydrophobicContact CD2-CG2 3.95Å; L108-V168 HydrophobicContact CG-CG2 3.69Å
109A76.2Confident79Confident9 Ų927.7 Ų27.77%0.07417%0.168CC..Hα-helixtrans-64.1-38.3175.500000112.7C105 L107 S113 T200 A263C105-A109 PolarHBondContact O-N 2.91Å; L107-A109 PolarHBondContact O-N 2.85Å; A109-S113 WeakPolarHBondContact O-CB 2.89Å; A109-S113 PolarHBondContact O-N 2.78Å; A109-S113 PolarHBondContact O-OG 2.97Å; A109-T200 HydrophobicContact CB-CG2 3.91Å; A109-A263 HydrophobicContact CB-CB 3.27Å
110A84Confident79.6Confident0 Ų024.7 Ų24.70%015%0.154CC..Hα-helixtrans-66.5-44.3173.800000111.1W106 L107 L108 A112 S113 L114 T200 F204 F207W106-A110 PolarHBondContact O-N 2.87Å; L107-A110 WeakPolarHBondContact O-CA 3.27Å; L107-A110 WeakPolarHBondContact O-CB 3.48Å; L107-A110 PolarHBondContact O-N 3.26Å; L108-A110 VanDerWaalsContact C-N 3.33Å; A110-A112 PolarHBondContact O-N 3.21Å; A110-S113 PolarHBondContact O-N 3.41Å; A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 PolarHBondContact O-N 3.48Å; A110-T200 HydrophobicContact CB-CG2 3.92Å; A110-F204 HydrophobicContact CB-CD1 4.13Å; A110-F204 HydrophobicContact CB-CE1 4.34Å; A110-F207 HydrophobicContact CB-CD2 3.9Å; A110-F207 HydrophobicContact CB-CE2 3.71Å
111I83.6Confident80.2Confident0 Ų023.9 Ų23.90%015%0.145CC..Hα-helixtrans-62.5-43.1176.1-57.9169.8000110.3I97 L107 L108 S113 L114 T115 W177 L181 F207I97-I111 HydrophobicContact CD1-CB 3.94Å; I97-I111 HydrophobicContact CD1-CG2 3.46Å; I97-I111 VanDerWaalsContact CD1-CG2 3.46Å; I97-I111 HydrophobicContact CG1-CG2 4.15Å; L107-I111 HydrophobicContact CG-CD1 4.13Å; L107-I111 WeakPolarHBondContact O-CG1 3.18Å; L107-I111 PolarHBondContact O-N 3.18Å; L108-I111 PolarHBondContact O-N 2.96Å; I111-S113 VanDerWaalsContact C-N 3.34Å; I111-S113 PolarHBondContact O-N 3.4Å; I111-L114 VanDerWaalsContact O-CB 3.24Å; I111-L114 WeakPolarHBondContact O-CB 3.47Å; I111-L114 PolarHBondContact O-N 3.08Å; I111-L114 VanDerWaalsContact O-N 3.11Å; I111-T115 WeakPolarHBondContact O-CG2 3.28Å; I111-T115 PolarHBondContact O-N 3.48Å; I111-W177 HydrophobicContact CG2-CH2 3.53Å; I111-W177 HydrophobicContact CG2-CZ3 3.66Å; I111-L181 HydrophobicContact CD1-CD2 3.98Å; I111-L181 HydrophobicContact CG1-CD2 3.97Å; I111-L181 HydrophobicContact CG2-CD2 3.87Å; I111-F207 HydrophobicContact CB-CE2 4.35Å; I111-F207 HydrophobicContact CD1-CZ 4.29Å; I111-F207 HydrophobicContact CG1-CE2 3.43Å; I111-F207 VanDerWaalsContact CG1-CE2 3.43Å; I111-F207 HydrophobicContact CG1-CZ 3.57Å
112A78Confident81Confident3 Ų322.2 Ų22.23%0.02513%0.128CC..Hα-helixtrans-63-42.3179.100000111.6R94 I97 L108 A110 L114 T115 P287R94-A112 HydrophobicContact CB-CB 4.08Å; I97-A112 VanDerWaalsContact CD1-CA 3.46Å; I97-A112 HydrophobicContact CD1-CB 3.91Å; L108-A112 VanDerWaalsContact O-CB 3.27Å; L108-A112 WeakPolarHBondContact O-CB 3.45Å; L108-A112 PolarHBondContact O-N 3.27Å; A110-A112 PolarHBondContact O-N 3.21Å; A112-L114 VanDerWaalsContact C-N 3.31Å; A112-L114 PolarHBondContact O-N 3.4Å; A112-T115 PolarHBondContact O-N 3.45Å; A112-T115 PolarHBondContact O-OG1 3.19Å; A112-P287 HydrophobicContact CB-CB 4Å
113S80.1Confident81.6Confident2 Ų223.1 Ų23.11%0.01413%0.131CC..Hα-helixtrans-66.6-32.1173.9-73.50000112.6A109 A110 I111 T115 L116 F204 S265A109-S113 WeakPolarHBondContact O-CB 2.89Å; A109-S113 PolarHBondContact O-N 2.78Å; A109-S113 PolarHBondContact O-OG 2.97Å; A110-S113 PolarHBondContact O-N 3.41Å; I111-S113 VanDerWaalsContact C-N 3.34Å; I111-S113 PolarHBondContact O-N 3.4Å; S113-T115 VanDerWaalsContact C-N 3.28Å; S113-T115 PolarHBondContact O-N 3.37Å; S113-L116 VanDerWaalsContact O-CB 3.24Å; S113-L116 WeakPolarHBondContact O-CB 3.13Å; S113-L116 WeakPolarHBondContact O-CG 3.35Å; S113-L116 PolarHBondContact O-N 3.44Å; S113-L116 VanDerWaalsContact O-N 3.12Å; S113-F204 VanDerWaalsContact CB-CE1 3.44Å; S113-S265 PolarHBondContact OG-OG 3.38Å
114L82.4Confident82.6Confident0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-60.8-36.3174-173.965.7000111.9A110 I111 A112 L116 N117 V120 L121 V124 F207A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 PolarHBondContact O-N 3.48Å; I111-L114 VanDerWaalsContact O-CB 3.24Å; I111-L114 WeakPolarHBondContact O-CB 3.47Å; I111-L114 PolarHBondContact O-N 3.08Å; I111-L114 VanDerWaalsContact O-N 3.11Å; A112-L114 VanDerWaalsContact C-N 3.31Å; A112-L114 PolarHBondContact O-N 3.4Å; L114-L116 PolarHBondContact O-N 2.99Å; L114-L116 VanDerWaalsContact O-N 3.12Å; L114-N117 CarbonylContact O-C 3.46Å; L114-N117 PolarHBondContact O-N 2.86Å; L114-V120 HydrophobicContact CD1-CB 3.86Å; L114-V120 HydrophobicContact CD1-CG1 3.43Å; L114-V120 VanDerWaalsContact CD1-CG1 3.43Å; L114-L121 HydrophobicContact CD1-CB 4.47Å; L114-L121 HydrophobicContact CD2-CD1 3.62Å; L114-L121 HydrophobicContact CG-CB 3.99Å; L114-L121 HydrophobicContact CG-CD1 3.81Å; L114-V124 HydrophobicContact CD2-CB 4.01Å; L114-V124 HydrophobicContact CD2-CG1 4.27Å; L114-V124 HydrophobicContact CD2-CG2 3.94Å; L114-F207 HydrophobicContact CD1-CB 4.43Å; L114-F207 HydrophobicContact CD2-CB 4.28Å; L114-F207 HydrophobicContact CD2-CD2 4.42Å; L114-F207 HydrophobicContact CD2-CG 4.36Å
115T82.1Confident83.5Confident16 Ų1621.2 Ų21.210%0.09811%0.112CC..THydrogen-bonded Turntrans-62.9-17.4176.671.80000113.8R94 I97 I111 A112 S113 N117 W177R94-T115 PolarHBondContact N-OG1 2.93Å; I97-T115 HydrophobicContact CD1-CG2 4.22Å; I111-T115 WeakPolarHBondContact O-CG2 3.28Å; I111-T115 PolarHBondContact O-N 3.48Å; A112-T115 PolarHBondContact O-N 3.45Å; A112-T115 PolarHBondContact O-OG1 3.19Å; S113-T115 VanDerWaalsContact C-N 3.28Å; S113-T115 PolarHBondContact O-N 3.37Å; T115-N117 PolarHBondContact O-N 3.09Å; T115-W177 HydrophobicContact CG2-CH2 3.85Å; T115-W177 HydrophobicContact CG2-CZ2 4.04Å
116L75.9Confident84.4Confident74 Ų7420 Ų2039%0.38710%0.103SC..THydrogen-bonded Turntrans-72.3-20.2176.2-58.6172.9000112.4S113 L114 T267S113-L116 VanDerWaalsContact O-CB 3.24Å; S113-L116 WeakPolarHBondContact O-CB 3.13Å; S113-L116 WeakPolarHBondContact O-CG 3.35Å; S113-L116 PolarHBondContact O-N 3.44Å; S113-L116 VanDerWaalsContact O-N 3.12Å; L114-L116 PolarHBondContact O-N 2.99Å; L114-L116 VanDerWaalsContact O-N 3.12Å; L116-T267 HydrophobicContact CD1-CG2 3.93Å; L116-T267 HydrophobicContact CD2-CG2 4.33Å
117N80.3Confident84.7Confident19 Ų1925 Ų2510%0.10213%0.127CC..  trans-128.199.3179.7-169.8-35.5000110.6L114 T115 Q119 V120 L121 L237 L348L114-N117 CarbonylContact O-C 3.46Å; L114-N117 PolarHBondContact O-N 2.86Å; T115-N117 PolarHBondContact O-N 3.09Å; N117-Q119 VanDerWaalsContact C-N 3.25Å; N117-Q119 PolarHBondContact O-N 2.93Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.43Å; N117-Q119 PolarHBondContact OD1-N 3.36Å; N117-Q119 VanDerWaalsContact OD1-N 3.13Å; N117-V120 HydrophobicContact CB-CB 4.23Å; N117-V120 HydrophobicContact CB-CG2 4.05Å; N117-V120 VanDerWaalsContact CG-CG2 3.49Å; N117-V120 PolarHBondContact O-N 3.42Å; N117-V120 VanDerWaalsContact O-N 3.17Å; N117-V120 PolarHBondContact OD1-N 2.66Å; N117-L121 PolarHBondContact O-N 3.18Å; N117-L237 HydrophobicContact CB-CD2 4.29Å; N117-L348 WeakPolarHBondContact ND2-CD2 3.37Å
118K83.6Confident84.8Confident125 Ų12529.2 Ų29.254%0.54315%0.149SC..Hα-helixtrans-58.1-34.3-177.9-63-170.8-178.7-168.40113.2D91 S122D91-K118 WeakPolarHBondContact OD1-CE 3.34Å; D91-K118 IonicContact OD1-NZ 2.63Å; D91-K118 PolarHBondContact OD1-NZ 3.46Å; D91-K118 IonicContact OD2-NZ 3.24Å; D91-K118 PolarHBondContact OD2-NZ 3.34Å; K118-S122 WeakPolarHBondContact O-CB 3.28Å; K118-S122 PolarHBondContact O-N 2.77Å
119Q85.2Confident85.4Confident51 Ų5129.2 Ų29.224%0.23815%0.149CC..Hα-helixtrans-66.5-45.8178.6-68.7-179.9800110.9N117 S122 R123 D350N117-Q119 VanDerWaalsContact C-N 3.25Å; N117-Q119 PolarHBondContact O-N 2.93Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.43Å; N117-Q119 PolarHBondContact OD1-N 3.36Å; N117-Q119 VanDerWaalsContact OD1-N 3.13Å; Q119-S122 PolarHBondContact O-N 3.12Å; Q119-S122 PolarHBondContact O-OG 3.05Å; Q119-R123 PolarHBondContact O-N 2.9Å; Q119-D350 PolarHBondContact NE2-OD2 3.16Å
120V86.7Confident86.3Confident0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-69.8-39.2179.1-171.20000110.5L114 N117 S122 R123 T208 L343 L348L114-V120 HydrophobicContact CD1-CB 3.86Å; L114-V120 HydrophobicContact CD1-CG1 3.43Å; L114-V120 VanDerWaalsContact CD1-CG1 3.43Å; N117-V120 HydrophobicContact CB-CB 4.23Å; N117-V120 HydrophobicContact CB-CG2 4.05Å; N117-V120 VanDerWaalsContact CG-CG2 3.49Å; N117-V120 PolarHBondContact O-N 3.42Å; N117-V120 VanDerWaalsContact O-N 3.17Å; N117-V120 PolarHBondContact OD1-N 2.66Å; V120-S122 VanDerWaalsContact C-N 3.33Å; V120-S122 PolarHBondContact O-N 3.01Å; V120-R123 WeakPolarHBondContact O-CB 3.36Å; V120-R123 PolarHBondContact O-N 2.82Å; V120-T208 HydrophobicContact CG1-CG2 3.51Å; V120-L343 HydrophobicContact CG1-CD2 4.39Å; V120-L343 HydrophobicContact CG2-CD1 3.61Å; V120-L343 HydrophobicContact CG2-CD2 4.3Å; V120-L348 HydrophobicContact CG2-CD2 4.37Å
121L89.6Confident86.8Confident5 Ų531.4 Ų31.43%0.02616%0.161CC..Hα-helixtrans-58-44.9173.7177.267.4000112.2A92 L114 N117 R123 V124 V125 W177A92-L121 HydrophobicContact CB-CD2 3.38Å; L114-L121 HydrophobicContact CD1-CB 4.47Å; L114-L121 HydrophobicContact CD2-CD1 3.62Å; L114-L121 HydrophobicContact CG-CB 3.99Å; L114-L121 HydrophobicContact CG-CD1 3.81Å; N117-L121 PolarHBondContact O-N 3.18Å; L121-R123 PolarHBondContact O-N 2.75Å; L121-R123 VanDerWaalsContact O-N 3.13Å; L121-V124 PolarHBondContact O-N 2.71Å; L121-V125 HydrophobicContact CD1-CB 4.2Å; L121-V125 HydrophobicContact CD1-CG2 3.79Å; L121-V125 PolarHBondContact O-N 3.33Å; L121-W177 HydrophobicContact CD1-CH2 4.36Å; L121-W177 HydrophobicContact CD1-CZ3 4.09Å
122S90.2Very high87.3Confident46 Ų4636.4 Ų36.432%0.32219%0.192SC..Hα-helixtrans-62-21.4-178.673.80000113.9K118 Q119 V120 H127K118-S122 WeakPolarHBondContact O-CB 3.28Å; K118-S122 PolarHBondContact O-N 2.77Å; Q119-S122 PolarHBondContact O-N 3.12Å; Q119-S122 PolarHBondContact O-OG 3.05Å; V120-S122 VanDerWaalsContact C-N 3.33Å; V120-S122 PolarHBondContact O-N 3.01Å; S122-H127 WeakPolarHBondContact CB-NE2 3.36Å
123R90.9Very high88Confident27 Ų2743.3 Ų43.310%0.10222%0.224CC..Hα-helixtrans-72.4-37.2174-67.9176.6175.1-117-26.8112.4N21 Q119 V120 L121 Q142 W149 D346 S347N21-R123 WeakPolarHBondContact ND2-CB 3.07Å; N21-R123 PolarHBondContact ND2-O 3Å; Q119-R123 PolarHBondContact O-N 2.9Å; V120-R123 WeakPolarHBondContact O-CB 3.36Å; V120-R123 PolarHBondContact O-N 2.82Å; L121-R123 PolarHBondContact O-N 2.75Å; L121-R123 VanDerWaalsContact O-N 3.13Å; R123-Q142 WeakPolarHBondContact O-CB 3.42Å; R123-Q142 PolarHBondContact O-OE1 3.24Å; R123-W149 HydrophobicContact CB-CH2 4.07Å; R123-W149 HydrophobicContact CB-CZ3 4.35Å; R123-D346 IonicContact CZ-OD2 2.67Å; R123-D346 IonicContact NH1-OD2 2.68Å; R123-D346 PolarHBondContact NH1-OD2 2.9Å; R123-D346 VanDerWaalsContact NH2-C 3.3Å; R123-D346 PolarHBondContact NH2-O 3.29Å; R123-D346 IonicContact NH2-OD2 2.92Å; R123-S347 PolarHBondContact NE-O 3.45Å; R123-S347 VanDerWaalsContact NH1-CA 3.34Å
124V94.6Very high88.6Confident0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-88-38.9-177.3-179.70000111L114 L121 P126 F141 Q142 F143 W149 L181 F207L114-V124 HydrophobicContact CD2-CB 4.01Å; L114-V124 HydrophobicContact CD2-CG1 4.27Å; L114-V124 HydrophobicContact CD2-CG2 3.94Å; L121-V124 PolarHBondContact O-N 2.71Å; V124-P126 WeakPolarHBondContact O-CD 3.31Å; V124-F141 VanDerWaalsContact O-CA 3.31Å; V124-F141 WeakPolarHBondContact O-CA 3.35Å; V124-Q142 WeakPolarHBondContact CA-O 3.21Å; V124-Q142 WeakPolarHBondContact CG1-O 3.31Å; V124-Q142 PolarHBondContact O-N 3.44Å; V124-F143 HydrophobicContact CG1-CD1 4.44Å; V124-F143 HydrophobicContact CG1-CE1 4.24Å; V124-W149 HydrophobicContact CG2-CZ3 4.39Å; V124-L181 HydrophobicContact CG1-CD1 3.57Å; V124-F207 HydrophobicContact CG1-CD1 4.12Å; V124-F207 HydrophobicContact CG2-CB 3.95Å; V124-F207 WeakPolarHBondContact CG2-O 3.47Å
125V94.7Very high89.3Confident0 Ų050.5 Ų50.50%026%0.259CS..SBendtrans-119.191.1-175.2-173.90000109.2F87 I88 L121 H127 F141 W177 L181F87-V125 HydrophobicContact CE1-CG1 3.68Å; F87-V125 HydrophobicContact CZ-CG1 3.77Å; I88-V125 HydrophobicContact CD1-CG1 4.09Å; L121-V125 HydrophobicContact CD1-CB 4.2Å; L121-V125 HydrophobicContact CD1-CG2 3.79Å; L121-V125 PolarHBondContact O-N 3.33Å; V125-H127 PolarHBondContact O-N 3.42Å; V125-F141 HydrophobicContact CB-CD1 4.45Å; V125-F141 HydrophobicContact CB-CE1 4.5Å; V125-F141 HydrophobicContact CG1-CD1 4.42Å; V125-F141 HydrophobicContact CG1-CE1 4.03Å; V125-F141 HydrophobicContact CG2-CD1 4Å; V125-F141 HydrophobicContact CG2-CE1 4.11Å; V125-W177 HydrophobicContact CG2-CE3 4.04Å; V125-W177 HydrophobicContact CG2-CZ3 4.23Å; V125-L181 HydrophobicContact CG2-CD1 4.27Å; V125-L181 HydrophobicContact CG2-CD2 4.21Å
126P92.3Very high90.1Very high17 Ų1749.9 Ų49.911%0.1126%0.255CS..  trans-56.6133175.3-27.736.8000112.2V124 D128 Q129V124-P126 WeakPolarHBondContact O-CD 3.31Å; P126-D128 VanDerWaalsContact C-N 3.32Å; P126-D128 VanDerWaalsContact CB-OD1 3.22Å; P126-D128 WeakPolarHBondContact CB-OD1 3.31Å; P126-D128 PolarHBondContact O-N 2.92Å; P126-Q129 PolarHBondContact O-NE2 3.19Å
127H85.8Confident91.1Very high119 Ų11946.3 Ų46.355%0.55124%0.237SC*.SBendtrans-81-5.7-173.7-67.1-65.4000114.7S122 V125 Q129S122-H127 WeakPolarHBondContact CB-NE2 3.36Å; V125-H127 PolarHBondContact O-N 3.42Å; H127-Q129 PolarHBondContact O-N 3.06Å
128D84.8Confident92Very high88 Ų8845.8 Ų45.847%0.47123%0.234SC..SBendtrans-84.820.6-176.265.9-39.4000113.6P126 H140P126-D128 VanDerWaalsContact C-N 3.32Å; P126-D128 VanDerWaalsContact CB-OD1 3.22Å; P126-D128 WeakPolarHBondContact CB-OD1 3.31Å; P126-D128 PolarHBondContact O-N 2.92Å; D128-H140 IonicContact OD1-NE2 2.71Å
129Q93.6Very high92.7Very high13 Ų1340 Ų406%0.06121%0.208CC..  trans-112.5136.2-173.1-57.6-175.782.700111.4F87 P126 H127 F139 H140F87-Q129 HydrophobicContact CD1-CB 3.77Å; F87-Q129 HydrophobicContact CE1-CB 3.71Å; F87-Q129 HydrophobicContact CE1-CG 4.38Å; F87-Q129 HydrophobicContact CE2-CB 4.49Å; F87-Q129 HydrophobicContact CG-CB 4.2Å; F87-Q129 HydrophobicContact CZ-CB 4.09Å; P126-Q129 PolarHBondContact O-NE2 3.19Å; H127-Q129 PolarHBondContact O-N 3.06Å; Q129-F139 HydrophobicContact CB-CD1 3.95Å; Q129-F139 HydrophobicContact CB-CE1 4.16Å; Q129-F139 HydrophobicContact CG-CD1 4.48Å; Q129-F139 VanDerWaalsContact OE1-CB 3.29Å; Q129-H140 PolarHBondContact NE2-O 3.41Å; Q129-H140 PolarHBondContact OE1-O 3.4Å
130S93.9Very high93.3Very high38 Ų3838.3 Ų38.327%0.26620%0.201SC..  trans-154.2153-176.9-177.70000112.5T132 E133S130-T132 PolarHBondContact OG-N 3.39Å; S130-T132 PolarHBondContact OG-OG1 3.39Å; S130-E133 PolarHBondContact OG-N 2.96Å
131F95.5Very high93.8Very high16 Ų1638.3 Ų38.37%0.0720%0.201CC..SBendtrans-84.9-8.6168.3-70.1-82.8000113.2P78 T79 P85 K86 F87 Y135 F139 D156 F176 L180P78-F131 HydrophobicContact CB-CD1 4.42Å; P78-F131 HydrophobicContact CB-CE1 3.67Å; P78-F131 HydrophobicContact CB-CZ 3.82Å; P78-F131 HydrophobicContact CG-CE1 3.72Å; P78-F131 HydrophobicContact CG-CZ 3.7Å; T79-F131 HydrophobicContact CG2-CD1 4.49Å; P85-F131 HydrophobicContact CB-CB 4.36Å; P85-F131 HydrophobicContact CB-CD1 4.15Å; P85-F131 HydrophobicContact CB-CD2 4.02Å; P85-F131 HydrophobicContact CB-CE1 4.49Å; P85-F131 HydrophobicContact CB-CE2 4.36Å; P85-F131 HydrophobicContact CB-CG 3.92Å; P85-F131 HydrophobicContact CG-CB 3.97Å; P85-F131 HydrophobicContact CG-CD1 4.1Å; P85-F131 HydrophobicContact CG-CG 3.96Å; P85-F131 WeakPolarHBondContact O-CB 3.17Å; K86-F131 VanDerWaalsContact C-CD2 3.43Å; K86-F131 WeakPolarHBondContact O-CE2 3.39Å; F87-F131 HydrophobicContact CB-CD2 4.2Å; F87-F131 HydrophobicContact CB-CE2 4.15Å; F87-F131 HydrophobicContact CD2-CE2 4.43Å; F131-Y135 AromaticContact CD1-CD2 3.99Å; F131-Y135 HydrophobicContact CD1-CD2 3.99Å; F131-Y135 AromaticContact CD1-CE2 3.58Å; F131-Y135 HydrophobicContact CD1-CE2 3.58Å; F131-Y135 HydrophobicContact CE1-CE2 4.08Å; F131-Y135 WeakPolarHBondContact O-CB 3.23Å; F131-F139 HydrophobicContact CD1-CE2 4.34Å; F131-F139 AromaticContact CD1-CZ 3.87Å; F131-F139 HydrophobicContact CD1-CZ 3.87Å; F131-F139 HydrophobicContact CD2-CZ 4.2Å; F131-F139 AromaticContact CE1-CE2 3.72Å; F131-F139 HydrophobicContact CE1-CE2 3.72Å; F131-F139 AromaticContact CE1-CZ 3.51Å; F131-F139 HydrophobicContact CE1-CZ 3.51Å; F131-F139 HydrophobicContact CE2-CE1 4.36Å; F131-F139 AromaticContact CE2-CZ 3.89Å; F131-F139 HydrophobicContact CE2-CZ 3.89Å; F131-F139 HydrophobicContact CG-CZ 4.19Å; F131-F139 HydrophobicContact CZ-CE1 4.32Å; F131-F139 AromaticContact CZ-CE2 3.92Å; F131-F139 HydrophobicContact CZ-CE2 3.92Å; F131-F139 AromaticContact CZ-CZ 3.52Å; F131-F139 HydrophobicContact CZ-CZ 3.52Å; F131-D156 HydrophobicContact CE1-CB 4.39Å; F131-D156 WeakPolarHBondContact CE1-OD2 3.49Å; F131-F176 HydrophobicContact CE2-CB 4.14Å; F131-F176 HydrophobicContact CE2-CD2 4.33Å; F131-F176 HydrophobicContact CZ-CB 4.05Å; F131-F176 HydrophobicContact CZ-CD2 4.47Å; F131-F176 HydrophobicContact CZ-CG 4.47Å; F131-L180 HydrophobicContact CZ-CD1 4.09Å
132T92.2Very high94.2Very high105 Ų10539.4 Ų39.464%0.64421%0.206SC*.SBendtrans-104.5-49.5-178.956.50000112.4S130S130-T132 PolarHBondContact OG-N 3.39Å; S130-T132 PolarHBondContact OG-OG1 3.39Å
133E92.8Very high94.5Very high148 Ų14837.2 Ų37.269%0.69219%0.19SC*.SBendtrans-92.2127.1-176.4-63.6-174.8-177.400110.8S130 Y135S130-E133 PolarHBondContact OG-N 2.96Å; E133-Y135 PolarHBondContact O-N 3.39Å
134N93.9Very high94.6Very high102 Ų10236.3 Ų36.355%0.54519%0.187SC..SBendtrans50.730.6179.2-63.3-39.7000114.4L40 A136L40-N134 HydrophobicContact CD1-CB 4.15Å; N134-A136 PolarHBondContact O-N 2.87Å
135Y97.3Very high94.4Very high51 Ų5137.4 Ų37.420%0.219%0.192CC..  trans-65.2123.3-179.2175.2-107000111.4L45 T79 F131 E133 F139 D156L45-Y135 HydrophobicContact CD2-CD1 4.14Å; L45-Y135 HydrophobicContact CD2-CE1 3.55Å; T79-Y135 HydrophobicContact CG2-CE1 4.09Å; F131-Y135 AromaticContact CD1-CD2 3.99Å; F131-Y135 HydrophobicContact CD1-CD2 3.99Å; F131-Y135 AromaticContact CD1-CE2 3.58Å; F131-Y135 HydrophobicContact CD1-CE2 3.58Å; F131-Y135 HydrophobicContact CE1-CE2 4.08Å; F131-Y135 WeakPolarHBondContact O-CB 3.23Å; E133-Y135 PolarHBondContact O-N 3.39Å; Y135-F139 HydrophobicContact CE2-CE2 4.31Å; Y135-D156 VanDerWaalsContact CE2-OD2 3.23Å; Y135-D156 WeakPolarHBondContact CE2-OD2 3.36Å; Y135-D156 VanDerWaalsContact CZ-OD2 3.32Å; Y135-D156 PolarHBondContact OH-OD2 3.49Å
136A97.5Very high94.1Very high3 Ų338.4 Ų38.43%0.02520%0.196CC..SBendtrans-133.621.617400000112.2R36 C39 L40 L45 F46 N134 I138R36-A136 HydrophobicContact CG-CB 4.34Å; C39-A136 HydrophobicContact CB-CB 3.8Å; L40-A136 HydrophobicContact CD2-CB 4.01Å; L40-A136 HydrophobicContact CG-CB 4.05Å; L45-A136 WeakPolarHBondContact CA-O 3.28Å; F46-A136 PolarHBondContact N-O 2.71Å; N134-A136 PolarHBondContact O-N 2.87Å; A136-I138 VanDerWaalsContact C-N 3.28Å; A136-I138 HydrophobicContact CB-CG2 4.05Å; A136-I138 PolarHBondContact O-N 3.32Å
137G97.9Very high93.9Very high0 Ų038 Ų380%020%0.195CC..SBendtrans64.429.1-179.300000114.3R77 D155 D156R77-G137 PolarHBondContact NH1-O 3.28Å; G137-D155 VanDerWaalsContact O-CA 3.22Å; G137-D155 WeakPolarHBondContact O-CA 3.46Å; G137-D155 WeakPolarHBondContact O-CB 3.22Å; G137-D156 PolarHBondContact O-N 3.11Å
138I98.4Very high94.1Very high8 Ų833 Ų334%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-132.8138-175.5-172.6168.6000109.9F32 L35 R36 F46 A136 V153 V154F32-I138 HydrophobicContact CD2-CD1 4.25Å; F32-I138 HydrophobicContact CD2-CG1 3.99Å; F32-I138 HydrophobicContact CE2-CG1 4.12Å; F32-I138 HydrophobicContact CE2-CG2 4.08Å; L35-I138 HydrophobicContact CB-CD1 3.57Å; L35-I138 HydrophobicContact CD1-CD1 4.38Å; R36-I138 HydrophobicContact CB-CG2 3.8Å; R36-I138 HydrophobicContact CG-CG2 3.9Å; F46-I138 HydrophobicContact CB-CB 3.72Å; F46-I138 HydrophobicContact CB-CD1 4.32Å; F46-I138 HydrophobicContact CB-CG1 4.32Å; F46-I138 HydrophobicContact CD1-CB 3.85Å; F46-I138 HydrophobicContact CD1-CD1 3.7Å; F46-I138 HydrophobicContact CD1-CG1 3.61Å; F46-I138 HydrophobicContact CD2-CD1 4.1Å; F46-I138 HydrophobicContact CE1-CD1 3.99Å; F46-I138 HydrophobicContact CE1-CG1 4.12Å; F46-I138 HydrophobicContact CE2-CD1 4.36Å; F46-I138 HydrophobicContact CG-CB 3.98Å; F46-I138 HydrophobicContact CG-CD1 3.77Å; F46-I138 HydrophobicContact CG-CG1 4.01Å; F46-I138 HydrophobicContact CZ-CD1 4.31Å; A136-I138 VanDerWaalsContact C-N 3.28Å; A136-I138 HydrophobicContact CB-CG2 4.05Å; A136-I138 PolarHBondContact O-N 3.32Å; I138-V153 HydrophobicContact CD1-CG1 3.37Å; I138-V153 HydrophobicContact CG1-CG1 3.47Å; I138-V153 VanDerWaalsContact CG1-CG1 3.47Å; I138-V154 WeakPolarHBondContact CA-O 3.27Å
139F98.5Very high94.6Very high2 Ų229.3 Ų29.31%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-140163.6179.7-67.4-92.1000109.4F87 Q129 F131 Y135 F141 V153 V154 D156 L180F87-F139 HydrophobicContact CB-CE1 4.4Å; F87-F139 AromaticContact CD2-CD1 3.58Å; F87-F139 HydrophobicContact CD2-CD1 3.58Å; F87-F139 AromaticContact CD2-CE1 3.41Å; F87-F139 HydrophobicContact CD2-CE1 3.41Å; F87-F139 VanDerWaalsContact CD2-CE1 3.41Å; F87-F139 HydrophobicContact CD2-CZ 4.39Å; F87-F139 AromaticContact CE2-CD1 3.47Å; F87-F139 HydrophobicContact CE2-CD1 3.47Å; F87-F139 VanDerWaalsContact CE2-CD1 3.47Å; F87-F139 AromaticContact CE2-CE1 3.86Å; F87-F139 HydrophobicContact CE2-CE1 3.86Å; F87-F139 HydrophobicContact CE2-CG 4.35Å; F87-F139 HydrophobicContact CG-CD1 4.41Å; F87-F139 HydrophobicContact CG-CE1 4.04Å; F87-F139 HydrophobicContact CZ-CD1 4.24Å; Q129-F139 HydrophobicContact CB-CD1 3.95Å; Q129-F139 HydrophobicContact CB-CE1 4.16Å; Q129-F139 HydrophobicContact CG-CD1 4.48Å; Q129-F139 VanDerWaalsContact OE1-CB 3.29Å; F131-F139 HydrophobicContact CD1-CE2 4.34Å; F131-F139 AromaticContact CD1-CZ 3.87Å; F131-F139 HydrophobicContact CD1-CZ 3.87Å; F131-F139 HydrophobicContact CD2-CZ 4.2Å; F131-F139 AromaticContact CE1-CE2 3.72Å; F131-F139 HydrophobicContact CE1-CE2 3.72Å; F131-F139 AromaticContact CE1-CZ 3.51Å; F131-F139 HydrophobicContact CE1-CZ 3.51Å; F131-F139 HydrophobicContact CE2-CE1 4.36Å; F131-F139 AromaticContact CE2-CZ 3.89Å; F131-F139 HydrophobicContact CE2-CZ 3.89Å; F131-F139 HydrophobicContact CG-CZ 4.19Å; F131-F139 HydrophobicContact CZ-CE1 4.32Å; F131-F139 AromaticContact CZ-CE2 3.92Å; F131-F139 HydrophobicContact CZ-CE2 3.92Å; F131-F139 AromaticContact CZ-CZ 3.52Å; F131-F139 HydrophobicContact CZ-CZ 3.52Å; Y135-F139 HydrophobicContact CE2-CE2 4.31Å; F139-F141 HydrophobicContact CB-CE2 4.27Å; F139-V153 CarbonylContact O-C 3.37Å; F139-V153 WeakPolarHBondContact O-CA 3.39Å; F139-V154 HydrophobicContact CB-CG2 4.37Å; F139-V154 PolarHBondContact N-O 3.5Å; F139-V154 PolarHBondContact O-N 2.66Å; F139-D156 HydrophobicContact CD2-CB 3.87Å; F139-D156 HydrophobicContact CE2-CB 3.68Å; F139-L180 HydrophobicContact CB-CD1 4.42Å; F139-L180 HydrophobicContact CD1-CD1 4.09Å; F139-L180 HydrophobicContact CD2-CD1 3.75Å; F139-L180 HydrophobicContact CE1-CD1 4.31Å; F139-L180 HydrophobicContact CE2-CD1 4Å; F139-L180 HydrophobicContact CG-CD1 3.81Å; F139-L180 HydrophobicContact CZ-CD1 4.28Å
140H98.1Very high94.7Very high17 Ų1730.1 Ų30.18%0.07916%0.156CC..EExtended strand (participates in β ladder)trans-143.7155.2175.478128.7000112.8F32 D128 Q129 D151 V152 V153F32-H140 HydrophobicContact CB-CB 4.08Å; F32-H140 AromaticContact CD1-CD2 3.66Å; F32-H140 AromaticContact CD1-NE2 3.78Å; F32-H140 HydrophobicContact CD2-CB 3.84Å; F32-H140 AromaticContact CD2-CD2 3.89Å; F32-H140 AromaticContact CD2-CG 3.95Å; F32-H140 AromaticContact CE1-CD2 3.72Å; F32-H140 AromaticContact CE1-NE2 3.85Å; F32-H140 HydrophobicContact CE2-CB 4.48Å; F32-H140 AromaticContact CE2-CD2 3.95Å; F32-H140 HydrophobicContact CG-CB 3.98Å; F32-H140 AromaticContact CG-CD2 3.74Å; F32-H140 AromaticContact CG-CG 3.73Å; F32-H140 AromaticContact CZ-CD2 3.86Å; D128-H140 IonicContact OD1-NE2 2.71Å; Q129-H140 PolarHBondContact NE2-O 3.41Å; Q129-H140 PolarHBondContact OE1-O 3.4Å; H140-D151 IonicContact CE1-OD1 2.69Å; H140-D151 IonicContact CG-OD1 3.1Å; H140-D151 IonicContact ND1-OD1 3.7Å; H140-D151 PolarHBondContact ND1-OD1 2.87Å; H140-D151 IonicContact ND1-OD2 2.79Å; H140-D151 PolarHBondContact ND1-OD2 3.44Å; H140-V152 VanDerWaalsContact CA-O 3.22Å; H140-V152 WeakPolarHBondContact CA-O 3.48Å; H140-V153 HydrophobicContact CB-CG2 4.33Å
141F97.8Very high94.9Very high0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-143.1152.4-178.6-59.8-86.3000109.4F87 V124 V125 F139 F143 V152 V154 L180 L181 A184F87-F141 HydrophobicContact CE2-CE1 4.41Å; F87-F141 AromaticContact CE2-CZ 3.99Å; F87-F141 HydrophobicContact CE2-CZ 3.99Å; F87-F141 AromaticContact CZ-CE1 3.95Å; F87-F141 HydrophobicContact CZ-CE1 3.95Å; F87-F141 AromaticContact CZ-CZ 3.97Å; F87-F141 HydrophobicContact CZ-CZ 3.97Å; V124-F141 VanDerWaalsContact O-CA 3.31Å; V124-F141 WeakPolarHBondContact O-CA 3.35Å; V125-F141 HydrophobicContact CB-CD1 4.45Å; V125-F141 HydrophobicContact CB-CE1 4.5Å; V125-F141 HydrophobicContact CG1-CD1 4.42Å; V125-F141 HydrophobicContact CG1-CE1 4.03Å; V125-F141 HydrophobicContact CG2-CD1 4Å; V125-F141 HydrophobicContact CG2-CE1 4.11Å; F139-F141 HydrophobicContact CB-CE2 4.27Å; F141-F143 HydrophobicContact CB-CE2 3.84Å; F141-F143 HydrophobicContact CB-CZ 3.85Å; F141-V152 PolarHBondContact N-O 3.37Å; F141-V152 PolarHBondContact O-N 2.98Å; F141-V154 HydrophobicContact CD2-CG2 4.28Å; F141-V154 HydrophobicContact CE2-CG2 4.01Å; F141-L180 VanDerWaalsContact CE2-C 3.49Å; F141-L180 HydrophobicContact CE2-CB 3.76Å; F141-L180 WeakPolarHBondContact CE2-O 3.41Å; F141-L180 HydrophobicContact CZ-CB 3.58Å; F141-L181 HydrophobicContact CB-CD1 4.09Å; F141-L181 HydrophobicContact CD1-CB 4.09Å; F141-L181 HydrophobicContact CD1-CD1 3.44Å; F141-L181 VanDerWaalsContact CD1-CD1 3.44Å; F141-L181 HydrophobicContact CD1-CG 4.38Å; F141-L181 HydrophobicContact CE1-CB 3.8Å; F141-L181 HydrophobicContact CE1-CD1 4.04Å; F141-L181 HydrophobicContact CG-CD1 3.86Å; F141-L181 HydrophobicContact CZ-CB 4.21Å; F141-A184 HydrophobicContact CB-CB 4.16Å; F141-A184 HydrophobicContact CD2-CB 3.43Å; F141-A184 VanDerWaalsContact CD2-CB 3.43Å; F141-A184 HydrophobicContact CE2-CB 4.18Å; F141-A184 HydrophobicContact CG-CB 4.08Å
142Q97.1Very high95Very high28 Ų2828.3 Ų28.313%0.13114%0.144CC..EExtended strand (participates in β ladder)trans-112.2131.4176.3-53.7-174.5-15.800110.9N21 A24 R123 V124 W149 I150 D151N21-Q142 PolarHBondContact ND2-OE1 3.47Å; N21-Q142 PolarHBondContact O-OE1 3.05Å; N21-Q142 VanDerWaalsContact O-OE1 3.13Å; A24-Q142 HydrophobicContact CB-CG 4.47Å; R123-Q142 WeakPolarHBondContact O-CB 3.42Å; R123-Q142 PolarHBondContact O-OE1 3.24Å; V124-Q142 WeakPolarHBondContact CA-O 3.21Å; V124-Q142 WeakPolarHBondContact CG1-O 3.31Å; V124-Q142 PolarHBondContact O-N 3.44Å; Q142-W149 HydrophobicContact CB-CE3 3.9Å; Q142-W149 HydrophobicContact CB-CZ3 4.26Å; Q142-I150 VanDerWaalsContact CA-O 3.29Å; Q142-I150 WeakPolarHBondContact CA-O 3.43Å; Q142-D151 HydrophobicContact CG-CB 4.48Å; Q142-D151 WeakPolarHBondContact CG-OD1 3.44Å
143F96.1Very high95.3Very high0 Ų023.3 Ų23.30%011%0.113CC..EExtended strand (participates in β ladder)trans-123.5139.2174.9-54.2-78.2000109.4V124 F141 I150 V152 L181 A184 Y185 I188 D206 F207V124-F143 HydrophobicContact CG1-CD1 4.44Å; V124-F143 HydrophobicContact CG1-CE1 4.24Å; F141-F143 HydrophobicContact CB-CE2 3.84Å; F141-F143 HydrophobicContact CB-CZ 3.85Å; F143-I150 PolarHBondContact N-O 2.74Å; F143-I150 PolarHBondContact O-N 3.3Å; F143-V152 HydrophobicContact CD2-CB 4.28Å; F143-V152 HydrophobicContact CD2-CG2 3.7Å; F143-V152 HydrophobicContact CE2-CB 4.12Å; F143-V152 HydrophobicContact CE2-CG2 4.03Å; F143-L181 HydrophobicContact CE1-CD1 3.55Å; F143-L181 HydrophobicContact CE1-CG 4.5Å; F143-L181 HydrophobicContact CZ-CD1 3.64Å; F143-A184 HydrophobicContact CE2-CB 3.76Å; F143-A184 HydrophobicContact CZ-CB 3.89Å; F143-Y185 AromaticContact CD1-CD2 3.66Å; F143-Y185 HydrophobicContact CD1-CD2 3.66Å; F143-Y185 HydrophobicContact CD1-CE2 4.26Å; F143-Y185 AromaticContact CE1-CD2 3.62Å; F143-Y185 HydrophobicContact CE1-CD2 3.62Å; F143-Y185 HydrophobicContact CE1-CG 4.29Å; F143-Y185 HydrophobicContact CG-CD2 4.2Å; F143-Y185 HydrophobicContact CZ-CD2 4.13Å; F143-I188 HydrophobicContact CB-CD1 3.94Å; F143-I188 HydrophobicContact CD2-CD1 3.79Å; F143-I188 HydrophobicContact CD2-CG2 4.48Å; F143-I188 HydrophobicContact CE2-CD1 4.42Å; F143-I188 HydrophobicContact CG-CD1 3.85Å; F143-D206 CarbonylContact C-O 3.57Å; F143-D206 WeakPolarHBondContact CA-O 3.38Å; F143-F207 AromaticContact CD1-CD1 3.92Å; F143-F207 HydrophobicContact CD1-CD1 3.92Å; F143-F207 AromaticContact CD1-CE1 3.86Å; F143-F207 HydrophobicContact CD1-CE1 3.86Å; F143-F207 HydrophobicContact CE1-CD1 4.14Å; F143-F207 AromaticContact CE1-CE1 3.71Å; F143-F207 HydrophobicContact CE1-CE1 3.71Å
144W94.4Very high95.6Very high8 Ų816.3 Ų16.33%0.038%0.081CC..EExtended strand (participates in β ladder)trans-75.7130.3167.1-175.292.8000109.2G147 W149 D206 G209 M413 Y499W144-G147 VanDerWaalsContact CZ2-CA 3.48Å; W144-W149 HydrophobicContact CB-CD2 4.21Å; W144-W149 HydrophobicContact CB-CE3 4.4Å; W144-W149 HydrophobicContact CB-CH2 4.47Å; W144-W149 HydrophobicContact CB-CZ2 4.26Å; W144-W149 AromaticContact CD1-CD1 3.9Å; W144-W149 AromaticContact CD1-NE1 3.68Å; W144-D206 PolarHBondContact N-O 2.96Å; W144-D206 WeakPolarHBondContact O-CA 3.28Å; W144-G209 VanDerWaalsContact CD1-CA 3.46Å; W144-M413 HydrophobicContact CH2-CE 3.93Å; W144-M413 HydrophobicContact CH2-SD 3.98Å; W144-M413 HydrophobicContact CZ3-CE 3.62Å; W144-M413 HydrophobicContact CZ3-SD 3.84Å; W144-Y499 HydrophobicContact CH2-CD1 4.13Å; W144-Y499 AromaticContact CH2-CE1 3.96Å; W144-Y499 HydrophobicContact CH2-CE1 3.96Å; W144-Y499 HydrophobicContact CZ2-CD1 4.27Å; W144-Y499 AromaticContact CZ2-CE1 3.65Å; W144-Y499 HydrophobicContact CZ2-CE1 3.65Å
145Q90.8Very high95.8Very high22 Ų2211.4 Ų11.410%0.1036%0.055CC..EExtended strand (participates in β ladder)trans-135.8104.3177.9-68.9-65.3-68.800108.9G147 D148 I150 I188 D206Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 2.73Å; Q145-D148 PolarHBondContact N-O 3.36Å; Q145-D148 PolarHBondContact O-N 2.65Å; Q145-D148 VanDerWaalsContact O-N 3.14Å; Q145-I150 HydrophobicContact CB-CD1 3.61Å; Q145-I150 HydrophobicContact CB-CG1 4.16Å; Q145-I150 HydrophobicContact CG-CD1 3.84Å; Q145-I150 HydrophobicContact CG-CG1 4.36Å; Q145-I188 HydrophobicContact CG-CD1 4.41Å; Q145-D206 PolarHBondContact NE2-OD2 2.94Å
146F86.8Confident95.8Very high22 Ų229 Ų910%0.0965%0.045CC..THydrogen-bonded Turntrans53.939.2169.6-45.1-73.9000114.9M413 K415F146-M413 HydrophobicContact CD1-CG 4.09Å; F146-M413 HydrophobicContact CD1-SD 3.4Å; F146-M413 WeakPolarHBondContact CD1-SD 3.38Å; F146-M413 HydrophobicContact CE1-CG 4.32Å; F146-M413 HydrophobicContact CE1-SD 3.83Å; F146-M413 HydrophobicContact CG-SD 4.44Å; F146-K415 HydrophobicContact CB-CD 3.58Å; F146-K415 HydrophobicContact CB-CG 3.8Å; F146-K415 HydrophobicContact CD1-CB 3.93Å; F146-K415 HydrophobicContact CD1-CD 4.43Å; F146-K415 HydrophobicContact CD1-CG 3.71Å; F146-K415 HydrophobicContact CD2-CB 4.41Å; F146-K415 HydrophobicContact CE1-CB 4.24Å; F146-K415 HydrophobicContact CE1-CG 4.48Å; F146-K415 HydrophobicContact CG-CB 4.05Å; F146-K415 HydrophobicContact CG-CD 4Å; F146-K415 HydrophobicContact CG-CG 3.77Å; F146-K415 WeakPolarHBondContact O-CE 3.49Å; F146-K415 PolarHBondContact O-NZ 2.81Å
147G88.2Confident95.9Very high7 Ų710.4 Ų10.47%0.0725%0.05CC..THydrogen-bonded Turntrans100.8-2.717800000115.1K14 W144 Q145 Y499K14-G147 PolarHBondContact NZ-O 2.91Å; W144-G147 VanDerWaalsContact CZ2-CA 3.48Å; Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 2.73Å; G147-Y499 WeakPolarHBondContact CA-OH 3.48Å
148D91.1Very high95.9Very high14 Ų1410.5 Ų10.58%0.0755%0.05CC..EExtended strand (participates in β ladder)trans-126.3134.5176.8-62.2-42.8000110.5H10 K14 L25 Q145H10-D148 IonicContact CE1-OD2 2.59Å; H10-D148 PolarHBondContact CE1-OD2 3.15Å; H10-D148 IonicContact NE2-OD2 3.44Å; H10-D148 PolarHBondContact NE2-OD2 2.89Å; K14-D148 IonicContact NZ-OD1 3.32Å; K14-D148 PolarHBondContact NZ-OD1 2.89Å; L25-D148 HydrophobicContact CD1-CB 3.7Å; Q145-D148 PolarHBondContact N-O 3.36Å; Q145-D148 PolarHBondContact O-N 2.65Å; Q145-D148 VanDerWaalsContact O-N 3.14Å
149W94.9Very high95.8Very high12 Ų1210.3 Ų10.35%0.0455%0.049CC..EExtended strand (participates in β ladder)trans-76.6132.4166.5-74.586.2000109.9G19 N21 A24 L25 R123 V124 Q142 W144G19-W149 PolarHBondContact O-N 3.13Å; N21-W149 HydrophobicContact CB-CD2 3.88Å; N21-W149 HydrophobicContact CB-CG 3.91Å; N21-W149 HydrophobicContact CB-CZ2 4.47Å; N21-W149 VanDerWaalsContact N-CD1 3.29Å; A24-W149 CarbonylContact C-O 3.5Å; A24-W149 VanDerWaalsContact CA-O 3.31Å; A24-W149 WeakPolarHBondContact CA-O 3.47Å; A24-W149 HydrophobicContact CB-CB 4.06Å; L25-W149 PolarHBondContact N-O 3.39Å; R123-W149 HydrophobicContact CB-CH2 4.07Å; R123-W149 HydrophobicContact CB-CZ3 4.35Å; V124-W149 HydrophobicContact CG2-CZ3 4.39Å; Q142-W149 HydrophobicContact CB-CE3 3.9Å; Q142-W149 HydrophobicContact CB-CZ3 4.26Å; W144-W149 HydrophobicContact CB-CD2 4.21Å; W144-W149 HydrophobicContact CB-CE3 4.4Å; W144-W149 HydrophobicContact CB-CH2 4.47Å; W144-W149 HydrophobicContact CB-CZ2 4.26Å; W144-W149 AromaticContact CD1-CD1 3.9Å; W144-W149 AromaticContact CD1-NE1 3.68Å
150I95.6Very high95.7Very high30 Ų3010.2 Ų10.215%0.1545%0.049CC..EExtended strand (participates in β ladder)trans-123.1125.6-177.3-54.5-172.3000108.9L25 Y27 Q142 F143 Q145 V152L25-I150 HydrophobicContact CB-CG1 4.43Å; L25-I150 CarbonylContact O-C 3.47Å; L25-I150 VanDerWaalsContact O-CA 3.3Å; L25-I150 WeakPolarHBondContact O-CA 3.31Å; L25-I150 WeakPolarHBondContact O-CG2 3.24Å; Y27-I150 HydrophobicContact CD2-CG2 3.99Å; Y27-I150 HydrophobicContact CG-CG2 4.21Å; Q142-I150 VanDerWaalsContact CA-O 3.29Å; Q142-I150 WeakPolarHBondContact CA-O 3.43Å; F143-I150 PolarHBondContact N-O 2.74Å; F143-I150 PolarHBondContact O-N 3.3Å; Q145-I150 HydrophobicContact CB-CD1 3.61Å; Q145-I150 HydrophobicContact CB-CG1 4.16Å; Q145-I150 HydrophobicContact CG-CD1 3.84Å; Q145-I150 HydrophobicContact CG-CG1 4.36Å; I150-V152 HydrophobicContact CG2-CG2 4.21Å
151D97.4Very high95.5Very high15 Ų1513.5 Ų13.58%0.086%0.061CC..EExtended strand (participates in β ladder)trans-86.6124.8173.4-16675.4000110.2A24 L25 Y27 H140 Q142A24-D151 HydrophobicContact CB-CB 4.01Å; L25-D151 PolarHBondContact O-N 3.04Å; Y27-D151 VanDerWaalsContact CB-O 3.25Å; Y27-D151 WeakPolarHBondContact CB-O 3.33Å; Y27-D151 PolarHBondContact N-O 2.94Å; H140-D151 IonicContact CE1-OD1 2.69Å; H140-D151 IonicContact CG-OD1 3.1Å; H140-D151 IonicContact ND1-OD1 3.7Å; H140-D151 PolarHBondContact ND1-OD1 2.87Å; H140-D151 IonicContact ND1-OD2 2.79Å; H140-D151 PolarHBondContact ND1-OD2 3.44Å; Q142-D151 HydrophobicContact CG-CB 4.48Å; Q142-D151 WeakPolarHBondContact CG-OD1 3.44Å
152V98.2Very high95.1Very high0 Ų021 Ų210%010%0.101CC..EExtended strand (participates in β ladder)trans-122.3112.8-171.7-176.50000109.3Y27 H140 F141 F143 I150 A184 K187 I188Y27-V152 HydrophobicContact CD1-CG1 4.3Å; Y27-V152 HydrophobicContact CG-CG2 4.34Å; H140-V152 VanDerWaalsContact CA-O 3.22Å; H140-V152 WeakPolarHBondContact CA-O 3.48Å; F141-V152 PolarHBondContact N-O 3.37Å; F141-V152 PolarHBondContact O-N 2.98Å; F143-V152 HydrophobicContact CD2-CB 4.28Å; F143-V152 HydrophobicContact CD2-CG2 3.7Å; F143-V152 HydrophobicContact CE2-CB 4.12Å; F143-V152 HydrophobicContact CE2-CG2 4.03Å; I150-V152 HydrophobicContact CG2-CG2 4.21Å; V152-A184 HydrophobicContact CB-CB 4.5Å; V152-A184 HydrophobicContact CG1-CB 4.09Å; V152-K187 HydrophobicContact CG1-CD 4.04Å; V152-K187 HydrophobicContact CG1-CG 4.42Å; V152-I188 HydrophobicContact CB-CG2 4.17Å; V152-I188 HydrophobicContact CG1-CG2 3.85Å; V152-I188 HydrophobicContact CG2-CG2 3.23Å
153V98.3Very high94.6Very high1 Ų122.3 Ų22.31%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-84.7139.4175.5-176.50000110Q30 F32 L35 F46 I138 F139 H140 K187Q30-V153 HydrophobicContact CB-CB 4.29Å; Q30-V153 HydrophobicContact CB-CG2 4.18Å; F32-V153 HydrophobicContact CB-CG2 3.92Å; L35-V153 HydrophobicContact CD1-CG1 4.3Å; F46-V153 HydrophobicContact CE1-CG1 3.93Å; F46-V153 HydrophobicContact CZ-CG1 4.3Å; I138-V153 HydrophobicContact CD1-CG1 3.37Å; I138-V153 HydrophobicContact CG1-CG1 3.47Å; I138-V153 VanDerWaalsContact CG1-CG1 3.47Å; F139-V153 CarbonylContact O-C 3.37Å; F139-V153 WeakPolarHBondContact O-CA 3.39Å; H140-V153 HydrophobicContact CB-CG2 4.33Å; V153-K187 PolarHBondContact O-NZ 2.97Å
154V98.7Very high94.4Very high0 Ų029.4 Ų29.40%016%0.155CC..EExtended strand (participates in β ladder)trans-138.6149.5171.1-70.60000110.5I138 F139 F141 K183 A184 K187I138-V154 WeakPolarHBondContact CA-O 3.27Å; F139-V154 HydrophobicContact CB-CG2 4.37Å; F139-V154 PolarHBondContact N-O 3.5Å; F139-V154 PolarHBondContact O-N 2.66Å; F141-V154 HydrophobicContact CD2-CG2 4.28Å; F141-V154 HydrophobicContact CE2-CG2 4.01Å; V154-K183 HydrophobicContact CB-CD 4.43Å; V154-K183 HydrophobicContact CG1-CG 4.4Å; V154-A184 HydrophobicContact CG1-CB 3.8Å; V154-A184 HydrophobicContact CG2-CB 4.2Å; V154-K187 HydrophobicContact CG1-CB 4.43Å; V154-K187 HydrophobicContact CG1-CD 3.86Å
155D98.5Very high94.2Very high0 Ų030.8 Ų30.80%016%0.163CC..EExtended strand (participates in β ladder)trans-76.7166.8160.570.157000111.6F46 D48 G137 R157 K183F46-D155 HydrophobicContact CD1-CB 3.68Å; F46-D155 HydrophobicContact CE1-CB 4.3Å; F46-D155 WeakPolarHBondContact O-CB 3.42Å; D48-D155 HydrophobicContact CB-CB 4.34Å; D48-D155 VanDerWaalsContact CB-OD2 3.22Å; D48-D155 WeakPolarHBondContact CB-OD2 3.28Å; D48-D155 PolarHBondContact N-OD2 3.09Å; G137-D155 VanDerWaalsContact O-CA 3.22Å; G137-D155 WeakPolarHBondContact O-CA 3.46Å; G137-D155 WeakPolarHBondContact O-CB 3.22Å; D155-R157 VanDerWaalsContact CG-NE 3.3Å; D155-R157 WeakPolarHBondContact OD1-CB 3.42Å; D155-R157 WeakPolarHBondContact OD1-CG 3.46Å; D155-R157 PolarHBondContact OD1-N 2.75Å; D155-R157 IonicContact OD1-NE 2.65Å; D155-R157 PolarHBondContact OD1-NE 3.45Å; D155-R157 IonicContact OD2-CZ 3.18Å; D155-R157 IonicContact OD2-NE 2.74Å; D155-R157 PolarHBondContact OD2-NE 3.1Å; D155-R157 IonicContact OD2-NH2 2.73Å; D155-R157 PolarHBondContact OD2-NH2 3.28Å; D155-K183 PolarHBondContact O-NZ 3.08Å; D155-K183 IonicContact OD1-NZ 3.86Å; D155-K183 PolarHBondContact OD1-NZ 2.82Å
156D98.3Very high94.2Very high0 Ų030.7 Ų30.70%016%0.163CC..SBendtrans-91.314.4-178.369.6-5.5000115.5R77 P78 F131 Y135 G137 F139 L158 L180R77-D156 WeakPolarHBondContact CD-OD1 3.48Å; R77-D156 VanDerWaalsContact CG-OD1 3.23Å; R77-D156 WeakPolarHBondContact CG-OD1 3.44Å; R77-D156 IonicContact CZ-OD1 3.19Å; R77-D156 IonicContact NE-OD1 4Å; R77-D156 IonicContact NH1-OD1 3.38Å; R77-D156 PolarHBondContact NH1-OD1 2.82Å; P78-D156 WeakPolarHBondContact CD-O 3.48Å; P78-D156 HydrophobicContact CG-CB 4.43Å; F131-D156 HydrophobicContact CE1-CB 4.39Å; F131-D156 WeakPolarHBondContact CE1-OD2 3.49Å; Y135-D156 VanDerWaalsContact CE2-OD2 3.23Å; Y135-D156 WeakPolarHBondContact CE2-OD2 3.36Å; Y135-D156 VanDerWaalsContact CZ-OD2 3.32Å; Y135-D156 PolarHBondContact OH-OD2 3.49Å; G137-D156 PolarHBondContact O-N 3.11Å; F139-D156 HydrophobicContact CD2-CB 3.87Å; F139-D156 HydrophobicContact CE2-CB 3.68Å; D156-L158 PolarHBondContact O-N 2.83Å; D156-L180 HydrophobicContact CB-CD2 3.87Å
157R98.3Very high94.5Very high32 Ų3230 Ų3012%0.12116%0.16CC..  trans-71120.7173.6-59.6176.5-73.2-1692.9109.3E47 W75 R77 D155 K183E47-R157 IonicContact OE2-NH1 2.69Å; E47-R157 PolarHBondContact OE2-NH1 3.4Å; W75-R157 HydrophobicContact CB-CB 4.24Å; W75-R157 HydrophobicContact CE3-CB 4.14Å; W75-R157 VanDerWaalsContact CE3-O 3.23Å; W75-R157 WeakPolarHBondContact CZ3-O 3.22Å; R77-R157 HydrophobicContact CG-CG 3.88Å; D155-R157 VanDerWaalsContact CG-NE 3.3Å; D155-R157 WeakPolarHBondContact OD1-CB 3.42Å; D155-R157 WeakPolarHBondContact OD1-CG 3.46Å; D155-R157 PolarHBondContact OD1-N 2.75Å; D155-R157 IonicContact OD1-NE 2.65Å; D155-R157 PolarHBondContact OD1-NE 3.45Å; D155-R157 IonicContact OD2-CZ 3.18Å; D155-R157 IonicContact OD2-NE 2.74Å; D155-R157 PolarHBondContact OD2-NE 3.1Å; D155-R157 IonicContact OD2-NH2 2.73Å; D155-R157 PolarHBondContact OD2-NH2 3.28Å; R157-K183 WeakPolarHBondContact O-CE 3.35Å; R157-K183 PolarHBondContact O-NZ 3.28Å
158L98.1Very high94.4Very high3 Ų329.7 Ų29.72%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-113.4143.2-178.5-68.3167.5000111.4W75 T76 P78 D156 T160 L165 F176 A179 L180 K183W75-L158 WeakPolarHBondContact CA-O 3.41Å; T76-L158 PolarHBondContact N-O 2.96Å; T76-L158 PolarHBondContact O-N 3.41Å; P78-L158 HydrophobicContact CG-CD1 4.18Å; D156-L158 PolarHBondContact O-N 2.83Å; L158-T160 PolarHBondContact O-N 3.43Å; L158-L165 HydrophobicContact CB-CD2 3.51Å; L158-L165 HydrophobicContact CD1-CD2 3.69Å; L158-L165 HydrophobicContact CG-CD2 4.2Å; L158-F176 HydrophobicContact CD1-CD1 3.93Å; L158-A179 HydrophobicContact CD1-CB 3.82Å; L158-A179 HydrophobicContact CD2-CB 4.07Å; L158-L180 HydrophobicContact CD2-CD2 4.12Å; L158-L180 HydrophobicContact CG-CD2 4.36Å; L158-K183 HydrophobicContact CD2-CB 4.47Å; L158-K183 HydrophobicContact CD2-CD 4.33Å
159P97.1Very high94.2Very high3 Ų332 Ų322%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-64.6125.4174.3-23.936.8000111.9L58 V73 W75 L166 F167 Y192L58-P159 HydrophobicContact CD2-CB 3.85Å; L58-P159 HydrophobicContact CD2-CG 3.64Å; V73-P159 HydrophobicContact CG1-CB 4.04Å; W75-P159 HydrophobicContact CD2-CG 4.23Å; W75-P159 HydrophobicContact CE3-CG 3.99Å; W75-P159 HydrophobicContact CH2-CG 3.76Å; W75-P159 HydrophobicContact CZ2-CG 3.98Å; W75-P159 HydrophobicContact CZ3-CG 3.75Å; P159-L166 HydrophobicContact CB-CB 4.33Å; P159-L166 WeakPolarHBondContact O-CB 3.42Å; P159-L166 PolarHBondContact O-N 3.12Å; P159-F167 HydrophobicContact CB-CD2 4.07Å; P159-F167 HydrophobicContact CB-CE2 3.89Å; P159-F167 HydrophobicContact CG-CD2 3.93Å; P159-F167 HydrophobicContact CG-CE2 3.76Å; P159-Y192 HydrophobicContact CG-CE2 3.89Å
160T95.6Very high93.7Very high1 Ų131.6 Ų31.61%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-134.4154.3-176.857.80000111.7V73 T74 T76 L81 L158 E164 L165V73-T160 WeakPolarHBondContact CA-O 3.38Å; T74-T160 PolarHBondContact N-O 2.92Å; T74-T160 PolarHBondContact O-N 2.96Å; T74-T160 PolarHBondContact O-OG1 3.21Å; T74-T160 PolarHBondContact OG1-OG1 3.08Å; T76-T160 PolarHBondContact OG1-OG1 3.08Å; L81-T160 HydrophobicContact CD1-CG2 3.94Å; L81-T160 HydrophobicContact CD2-CG2 4.05Å; L158-T160 PolarHBondContact O-N 3.43Å; T160-E164 CarbonylContact C-O 3.58Å; T160-E164 WeakPolarHBondContact CA-O 3.34Å; T160-E164 VanDerWaalsContact CB-O 3.25Å; T160-E164 WeakPolarHBondContact CB-O 3.38Å; T160-L165 HydrophobicContact CG2-CD2 3.92Å
161R93.5Very high92.8Very high85 Ų8533.9 Ų33.932%0.32119%0.189SC..EExtended strand (participates in β ladder)trans-139.7130173-168.3-179.3-48.4-177.43.2108.5K69 G163 E164 L166K69-R161 PolarHBondContact O-NH2 2.85Å; R161-G163 PolarHBondContact O-N 3.35Å; R161-E164 PolarHBondContact N-O 2.86Å; R161-E164 PolarHBondContact O-N 3.32Å; R161-L166 VanDerWaalsContact NH2-CD1 3.29Å
162D90.8Very high91.8Very high158 Ų15838.3 Ų38.385%0.84521%0.209SC*.THydrogen-bonded Turntrans54.328.9-179.8-54.6-44.4000113.7
163G86.9Confident90.9Very high55 Ų5540.5 Ų40.557%0.56723%0.232SC*.THydrogen-bonded Turntrans85.41.6-179.300000115.3R161R161-G163 PolarHBondContact O-N 3.35Å
164E90.2Very high90.4Very high150 Ų15041.6 Ų41.670%0.70124%0.24SC*.EExtended strand (participates in β ladder)trans-109.1148.5178-63.5-175.2166.400111.4T160 R161T160-E164 CarbonylContact C-O 3.58Å; T160-E164 WeakPolarHBondContact CA-O 3.34Å; T160-E164 VanDerWaalsContact CB-O 3.25Å; T160-E164 WeakPolarHBondContact CB-O 3.38Å; R161-E164 PolarHBondContact N-O 2.86Å; R161-E164 PolarHBondContact O-N 3.32Å
165L91.9Very high90.1Very high37 Ų3741.8 Ų41.819%0.19424%0.241CC..EExtended strand (participates in β ladder)trans-65.1134.1175-72.8172.3000110.1L81 L158 T160 H169 F176 A179L81-L165 HydrophobicContact CD1-CD2 3.97Å; L81-L165 HydrophobicContact CD1-CG 4.36Å; L158-L165 HydrophobicContact CB-CD2 3.51Å; L158-L165 HydrophobicContact CD1-CD2 3.69Å; L158-L165 HydrophobicContact CG-CD2 4.2Å; T160-L165 HydrophobicContact CG2-CD2 3.92Å; L165-H169 HydrophobicContact CB-CB 4.03Å; L165-H169 HydrophobicContact CD1-CB 3.53Å; L165-H169 HydrophobicContact CG-CB 4.41Å; L165-F176 HydrophobicContact CD1-CD1 4.19Å; L165-F176 HydrophobicContact CD1-CE1 4.03Å; L165-A179 HydrophobicContact CD1-CB 4.48Å
166L90.9Very high89.9Confident20 Ų2042 Ų4211%0.10524%0.242CC..SBendtrans-80-28.4-178.4-174.261.2000112.8V73 G100 A101 P159 R161V73-L166 HydrophobicContact CG1-CD2 4.39Å; V73-L166 HydrophobicContact CG2-CD2 3.9Å; G100-L166 WeakPolarHBondContact CA-O 3.18Å; A101-L166 HydrophobicContact CB-CD1 3.88Å; A101-L166 HydrophobicContact CB-CG 4.41Å; A101-L166 PolarHBondContact N-O 2.88Å; P159-L166 HydrophobicContact CB-CB 4.33Å; P159-L166 WeakPolarHBondContact O-CB 3.42Å; P159-L166 PolarHBondContact O-N 3.12Å; R161-L166 VanDerWaalsContact NH2-CD1 3.29Å
167F91.2Very high89.7Confident6 Ų642 Ų423%0.02624%0.242CC..SBendtrans-116.9-147.9-172.8-56.7-52000111.1L58 L63 L102 P159 H169 E182 Y192L58-F167 HydrophobicContact CD2-CE2 3.9Å; L58-F167 HydrophobicContact CD2-CZ 4.23Å; L63-F167 HydrophobicContact CD1-CE1 4.27Å; L63-F167 HydrophobicContact CD1-CZ 4.13Å; L102-F167 HydrophobicContact CB-CD1 3.66Å; L102-F167 HydrophobicContact CB-CE1 3.84Å; L102-F167 HydrophobicContact CD1-CE1 4.43Å; L102-F167 HydrophobicContact CD2-CD1 4.29Å; L102-F167 HydrophobicContact CD2-CE1 4.31Å; L102-F167 HydrophobicContact CG-CE1 4.44Å; P159-F167 HydrophobicContact CB-CD2 4.07Å; P159-F167 HydrophobicContact CB-CE2 3.89Å; P159-F167 HydrophobicContact CG-CD2 3.93Å; P159-F167 HydrophobicContact CG-CE2 3.76Å; F167-H169 PolarHBondContact O-N 3.02Å; F167-H169 PolarHBondContact O-ND1 3.47Å; F167-E182 WeakPolarHBondContact CB-OE2 3.34Å; F167-Y192 HydrophobicContact CB-CE1 4.4Å; F167-Y192 AromaticContact CD2-CD1 3.42Å; F167-Y192 HydrophobicContact CD2-CD1 3.42Å; F167-Y192 VanDerWaalsContact CD2-CD1 3.42Å; F167-Y192 HydrophobicContact CD2-CD2 4.37Å; F167-Y192 AromaticContact CD2-CE1 3.34Å; F167-Y192 HydrophobicContact CD2-CE1 3.34Å; F167-Y192 HydrophobicContact CD2-CE2 4.3Å; F167-Y192 AromaticContact CD2-CG 3.95Å; F167-Y192 HydrophobicContact CD2-CG 3.95Å; F167-Y192 AromaticContact CD2-CZ 3.8Å; F167-Y192 AromaticContact CE2-CD1 3.44Å; F167-Y192 HydrophobicContact CE2-CD1 3.44Å; F167-Y192 VanDerWaalsContact CE2-CD1 3.44Å; F167-Y192 AromaticContact CE2-CD2 3.81Å; F167-Y192 HydrophobicContact CE2-CD2 3.81Å; F167-Y192 AromaticContact CE2-CE1 3.77Å; F167-Y192 HydrophobicContact CE2-CE1 3.77Å; F167-Y192 HydrophobicContact CE2-CE2 4.1Å; F167-Y192 AromaticContact CE2-CG 3.45Å; F167-Y192 HydrophobicContact CE2-CG 3.45Å; F167-Y192 VanDerWaalsContact CE2-CG 3.45Å; F167-Y192 HydrophobicContact CG-CD1 4.06Å; F167-Y192 HydrophobicContact CG-CE1 4.08Å; F167-Y192 HydrophobicContact CZ-CD1 4.11Å; F167-Y192 HydrophobicContact CZ-CG 4.01Å
168V87.3Confident89.4Confident1 Ų140.5 Ų40.51%0.00624%0.236CC..  trans-55.4136.7-176.9173.90000110.9I97 C98 L108 A179 E182I97-V168 HydrophobicContact CG2-CG1 4.33Å; C98-V168 WeakPolarHBondContact O-CA 3.22Å; L108-V168 HydrophobicContact CD1-CG2 3.43Å; L108-V168 VanDerWaalsContact CD1-CG2 3.43Å; L108-V168 HydrophobicContact CD2-CG2 3.95Å; L108-V168 HydrophobicContact CG-CG2 3.69Å; V168-A179 VanDerWaalsContact O-CB 3.22Å; V168-A179 WeakPolarHBondContact O-CB 3.44Å; V168-E182 HydrophobicContact CB-CB 4.28Å; V168-E182 WeakPolarHBondContact CB-OE2 3.3Å; V168-E182 HydrophobicContact CG2-CB 4.27Å; V168-E182 VanDerWaalsContact CG2-CD 3.42Å; V168-E182 HydrophobicContact CG2-CG 4.13Å; V168-E182 PolarHBondContact N-OE2 2.91Å
169H86.3Confident89.2Confident63 Ų6340.4 Ų40.429%0.29224%0.236SC..BIsolated β-bridgetrans-152.3159.3176.758.5-80.5000111.6D96 C98 L165 F167D96-H169 CarbonylContact O-C 3.15Å; C98-H169 WeakPolarHBondContact CA-O 3.31Å; C98-H169 VanDerWaalsContact CB-O 3.28Å; C98-H169 WeakPolarHBondContact CB-O 3.48Å; C98-H169 PolarHBondContact N-O 2.85Å; C98-H169 PolarHBondContact O-N 3.2Å; L165-H169 HydrophobicContact CB-CB 4.03Å; L165-H169 HydrophobicContact CD1-CB 3.53Å; L165-H169 HydrophobicContact CG-CB 4.41Å; F167-H169 PolarHBondContact O-N 3.02Å; F167-H169 PolarHBondContact O-ND1 3.47Å
170S85Confident89.3Confident4 Ų440.2 Ų40.23%0.02824%0.235CC..  trans-81.5143.2172.1172.20000111.5D96 E172 G173D96-S170 WeakPolarHBondContact O-CA 3.22Å; D96-S170 PolarHBondContact O-N 3.06Å; S170-E172 PolarHBondContact O-N 3.33Å; S170-E172 PolarHBondContact OG-N 3.07Å; S170-E172 VanDerWaalsContact OG-N 3.1Å; S170-G173 PolarHBondContact O-N 3.17Å; S170-G173 VanDerWaalsContact O-N 3.11Å
171A75.4Confident89.3Confident78 Ų7840.2 Ų40.265%0.64523%0.234SC*.THydrogen-bonded Turntrans-64.1-25.1171.300000112.7T95 G173T95-A171 PolarHBondContact O-N 2.95Å; A171-G173 PolarHBondContact O-N 2.9Å
172E77.4Confident89.4Confident107 Ų10736.2 Ų36.250%0.522%0.22SC..THydrogen-bonded Turntrans-70.2-24.2174.9-171.4174.2176.400111.8S170 S174S170-E172 PolarHBondContact O-N 3.33Å; S170-E172 PolarHBondContact OG-N 3.07Å; S170-E172 VanDerWaalsContact OG-N 3.1Å; E172-S174 PolarHBondContact O-N 2.93Å; E172-S174 VanDerWaalsContact O-N 3.13Å
173G78.9Confident89.7Confident46 Ų4628.7 Ų28.747%0.47418%0.179SC..SBendtrans72.3-4.2177.700000115.5S170 A171S170-G173 PolarHBondContact O-N 3.17Å; S170-G173 VanDerWaalsContact O-N 3.11Å; A171-G173 PolarHBondContact O-N 2.9Å
174S88.6Confident90.3Very high25 Ų2526.1 Ų26.118%0.17515%0.152CC..SBendtrans-111.9-3176.375.60000114.7K86 E172 F176K86-S174 PolarHBondContact N-O 3.22Å; E172-S174 PolarHBondContact O-N 2.93Å; E172-S174 VanDerWaalsContact O-N 3.13Å; S174-F176 WeakPolarHBondContact O-CD2 3.44Å; S174-F176 VanDerWaalsContact O-CE2 3.31Å; S174-F176 WeakPolarHBondContact O-CE2 3.45Å
175E91.6Very high90.5Very high3 Ų319 Ų191%0.01412%0.119CC..BIsolated β-bridgetrans-106140.5175.2-65-165.1154.100112.6K86 S89 D96K86-E175 WeakPolarHBondContact O-CA 3.28Å; S89-E175 WeakPolarHBondContact CA-OE1 3.29Å; S89-E175 WeakPolarHBondContact CB-OE1 3.48Å; S89-E175 PolarHBondContact N-OE1 3.26Å; S89-E175 PolarHBondContact OG-OE1 3.01Å; D96-E175 VanDerWaalsContact OD1-OE2 3.08Å
176F94.7Very high90.6Very high5 Ų517.2 Ų17.22%0.02211%0.11CC..  trans-132.80.8-169.5-62.9-89.6000115.2P78 L81 C82 P85 K86 F131 L158 L165 S174 S178 A179 L180P78-F176 HydrophobicContact CB-CD1 3.88Å; P78-F176 HydrophobicContact CB-CD2 3.74Å; P78-F176 HydrophobicContact CB-CE1 3.89Å; P78-F176 HydrophobicContact CB-CE2 3.77Å; P78-F176 HydrophobicContact CB-CG 3.8Å; P78-F176 HydrophobicContact CB-CZ 3.84Å; P78-F176 HydrophobicContact CG-CB 4.15Å; P78-F176 HydrophobicContact CG-CD1 3.64Å; P78-F176 HydrophobicContact CG-CD2 4.18Å; P78-F176 HydrophobicContact CG-CE1 4.03Å; P78-F176 HydrophobicContact CG-CG 3.72Å; P78-F176 HydrophobicContact CG-CZ 4.48Å; L81-F176 HydrophobicContact CD1-CE1 4.31Å; C82-F176 VanDerWaalsContact SG-CE2 3.56Å; P85-F176 HydrophobicContact CB-CD2 4.04Å; P85-F176 HydrophobicContact CB-CE2 3.79Å; K86-F176 PolarHBondContact O-N 3.28Å; F131-F176 HydrophobicContact CE2-CB 4.14Å; F131-F176 HydrophobicContact CE2-CD2 4.33Å; F131-F176 HydrophobicContact CZ-CB 4.05Å; F131-F176 HydrophobicContact CZ-CD2 4.47Å; F131-F176 HydrophobicContact CZ-CG 4.47Å; L158-F176 HydrophobicContact CD1-CD1 3.93Å; L165-F176 HydrophobicContact CD1-CD1 4.19Å; L165-F176 HydrophobicContact CD1-CE1 4.03Å; S174-F176 WeakPolarHBondContact O-CD2 3.44Å; S174-F176 VanDerWaalsContact O-CE2 3.31Å; S174-F176 WeakPolarHBondContact O-CE2 3.45Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 3.18Å; F176-A179 PolarHBondContact O-N 3.49Å; F176-L180 HydrophobicContact CB-CD1 4.42Å; F176-L180 VanDerWaalsContact O-CG 3.32Å; F176-L180 WeakPolarHBondContact O-CG 3.07Å; F176-L180 PolarHBondContact O-N 3.28Å
177W94.1Very high90.8Very high0 Ų016.5 Ų16.50%011%0.106CC..Hα-helixtrans-57.4-41.8-179.371.4-89.4000112.6F87 I88 A92 D96 I97 I111 T115 L121 V125 L180 L181F87-W177 HydrophobicContact CD1-CB 4.44Å; F87-W177 HydrophobicContact CD2-CB 4.08Å; F87-W177 HydrophobicContact CE1-CB 4.24Å; F87-W177 HydrophobicContact CE2-CB 3.87Å; F87-W177 HydrophobicContact CG-CB 4.37Å; F87-W177 HydrophobicContact CZ-CB 3.96Å; F87-W177 VanDerWaalsContact O-CB 3.31Å; F87-W177 WeakPolarHBondContact O-CB 3.33Å; F87-W177 PolarHBondContact O-N 3.13Å; I88-W177 HydrophobicContact CD1-CB 4.44Å; I88-W177 HydrophobicContact CD1-CG 4.42Å; I88-W177 HydrophobicContact CG1-CB 3.82Å; I88-W177 HydrophobicContact CG1-CG 3.74Å; A92-W177 HydrophobicContact CB-CD2 4.47Å; A92-W177 HydrophobicContact CB-CH2 4.43Å; A92-W177 HydrophobicContact CB-CZ2 3.83Å; D96-W177 HydrophobicContact CB-CZ2 4.12Å; D96-W177 PolarHBondContact OD2-NE1 3.04Å; I97-W177 HydrophobicContact CD1-CH2 4.2Å; I97-W177 HydrophobicContact CD1-CZ2 4.44Å; I97-W177 HydrophobicContact CG1-CH2 4.43Å; I97-W177 HydrophobicContact CG1-CZ2 4.36Å; I111-W177 HydrophobicContact CG2-CH2 3.53Å; I111-W177 HydrophobicContact CG2-CZ3 3.66Å; T115-W177 HydrophobicContact CG2-CH2 3.85Å; T115-W177 HydrophobicContact CG2-CZ2 4.04Å; L121-W177 HydrophobicContact CD1-CH2 4.36Å; L121-W177 HydrophobicContact CD1-CZ3 4.09Å; V125-W177 HydrophobicContact CG2-CE3 4.04Å; V125-W177 HydrophobicContact CG2-CZ3 4.23Å; W177-L180 PolarHBondContact O-N 3.44Å; W177-L181 HydrophobicContact CE3-CD2 4.29Å; W177-L181 HydrophobicContact CZ3-CD2 3.85Å; W177-L181 VanDerWaalsContact O-CB 3.25Å; W177-L181 WeakPolarHBondContact O-CB 3.49Å; W177-L181 PolarHBondContact O-N 3.33Å
178S92.2Very high90.9Very high0 Ų016.5 Ų16.50%011%0.106CC..Hα-helixtrans-67.9-40.9-178.358.20000112.1D96 F176 L181 E182D96-S178 WeakPolarHBondContact O-CB 3.28Å; D96-S178 PolarHBondContact O-OG 2.93Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 3.18Å; S178-L181 PolarHBondContact O-N 2.6Å; S178-E182 PolarHBondContact O-N 3.24Å
179A94.6Very high91Very high1 Ų116.9 Ų16.91%0.00811%0.108CC..Hα-helixtrans-64.6-40.1175.400000112.2L158 L165 V168 F176 K183L158-A179 HydrophobicContact CD1-CB 3.82Å; L158-A179 HydrophobicContact CD2-CB 4.07Å; L165-A179 HydrophobicContact CD1-CB 4.48Å; V168-A179 VanDerWaalsContact O-CB 3.22Å; V168-A179 WeakPolarHBondContact O-CB 3.44Å; F176-A179 PolarHBondContact O-N 3.49Å; A179-K183 PolarHBondContact O-N 2.97Å; A179-K183 VanDerWaalsContact O-N 3.08Å
180L97.5Very high91.2Very high0 Ų015 Ų150%011%0.106CC..Hα-helixtrans-73.5-35.3177.5-67.5172000112.1F87 F131 F139 F141 D156 L158 F176 W177 K183 A184F87-L180 HydrophobicContact CD2-CD1 4.17Å; F87-L180 HydrophobicContact CE2-CD1 4.05Å; F131-L180 HydrophobicContact CZ-CD1 4.09Å; F139-L180 HydrophobicContact CB-CD1 4.42Å; F139-L180 HydrophobicContact CD1-CD1 4.09Å; F139-L180 HydrophobicContact CD2-CD1 3.75Å; F139-L180 HydrophobicContact CE1-CD1 4.31Å; F139-L180 HydrophobicContact CE2-CD1 4Å; F139-L180 HydrophobicContact CG-CD1 3.81Å; F139-L180 HydrophobicContact CZ-CD1 4.28Å; F141-L180 VanDerWaalsContact CE2-C 3.49Å; F141-L180 HydrophobicContact CE2-CB 3.76Å; F141-L180 WeakPolarHBondContact CE2-O 3.41Å; F141-L180 HydrophobicContact CZ-CB 3.58Å; D156-L180 HydrophobicContact CB-CD2 3.87Å; L158-L180 HydrophobicContact CD2-CD2 4.12Å; L158-L180 HydrophobicContact CG-CD2 4.36Å; F176-L180 HydrophobicContact CB-CD1 4.42Å; F176-L180 VanDerWaalsContact O-CG 3.32Å; F176-L180 WeakPolarHBondContact O-CG 3.07Å; F176-L180 PolarHBondContact O-N 3.28Å; W177-L180 PolarHBondContact O-N 3.44Å; L180-K183 WeakPolarHBondContact O-CB 3.47Å; L180-K183 PolarHBondContact O-N 3.35Å; L180-A184 PolarHBondContact O-N 2.87Å
181L96.6Very high91.6Very high0 Ų014.9 Ų14.90%011%0.105CC..Hα-helixtrans-62.4-48.1173.4178.366.5000110.8I111 V124 V125 F141 F143 W177 S178 K183 A184 Y185I111-L181 HydrophobicContact CD1-CD2 3.98Å; I111-L181 HydrophobicContact CG1-CD2 3.97Å; I111-L181 HydrophobicContact CG2-CD2 3.87Å; V124-L181 HydrophobicContact CG1-CD1 3.57Å; V125-L181 HydrophobicContact CG2-CD1 4.27Å; V125-L181 HydrophobicContact CG2-CD2 4.21Å; F141-L181 HydrophobicContact CB-CD1 4.09Å; F141-L181 HydrophobicContact CD1-CB 4.09Å; F141-L181 HydrophobicContact CD1-CD1 3.44Å; F141-L181 VanDerWaalsContact CD1-CD1 3.44Å; F141-L181 HydrophobicContact CD1-CG 4.38Å; F141-L181 HydrophobicContact CE1-CB 3.8Å; F141-L181 HydrophobicContact CE1-CD1 4.04Å; F141-L181 HydrophobicContact CG-CD1 3.86Å; F141-L181 HydrophobicContact CZ-CB 4.21Å; F143-L181 HydrophobicContact CE1-CD1 3.55Å; F143-L181 HydrophobicContact CE1-CG 4.5Å; F143-L181 HydrophobicContact CZ-CD1 3.64Å; W177-L181 HydrophobicContact CE3-CD2 4.29Å; W177-L181 HydrophobicContact CZ3-CD2 3.85Å; W177-L181 VanDerWaalsContact O-CB 3.25Å; W177-L181 WeakPolarHBondContact O-CB 3.49Å; W177-L181 PolarHBondContact O-N 3.33Å; S178-L181 PolarHBondContact O-N 2.6Å; L181-K183 VanDerWaalsContact C-N 3.29Å; L181-K183 PolarHBondContact O-N 3.45Å; L181-A184 PolarHBondContact O-N 3.39Å; L181-Y185 WeakPolarHBondContact O-CB 3.48Å; L181-Y185 PolarHBondContact O-N 3.27Å
182E95.5Very high92.4Very high2 Ų211.2 Ų11.21%0.0097%0.074CC..Hα-helixtrans-57.9-42.7174.1-175.2-162.9-155.300111L107 F167 V168 S178 Y185 A186 Y192 L195L107-E182 HydrophobicContact CD2-CG 4.43Å; F167-E182 WeakPolarHBondContact CB-OE2 3.34Å; V168-E182 HydrophobicContact CB-CB 4.28Å; V168-E182 WeakPolarHBondContact CB-OE2 3.3Å; V168-E182 HydrophobicContact CG2-CB 4.27Å; V168-E182 VanDerWaalsContact CG2-CD 3.42Å; V168-E182 HydrophobicContact CG2-CG 4.13Å; V168-E182 PolarHBondContact N-OE2 2.91Å; S178-E182 PolarHBondContact O-N 3.24Å; E182-Y185 PolarHBondContact O-N 3.16Å; E182-A186 WeakPolarHBondContact O-CB 3.47Å; E182-A186 PolarHBondContact O-N 3.22Å; E182-Y192 HydrophobicContact CG-CE1 4.12Å; E182-L195 HydrophobicContact CG-CD1 4.22Å
183K97.8Very high93Very high0 Ų07 Ų70%06%0.055CC..Hα-helixtrans-60.1-46.5175.4-174.4178.9172.2-179.10112.5F51 V154 D155 R157 L158 A179 L180 L181 Y185 A186 K187 Y192F51-K183 HydrophobicContact CD1-CG 4.41Å; F51-K183 HydrophobicContact CE1-CG 4.08Å; V154-K183 HydrophobicContact CB-CD 4.43Å; V154-K183 HydrophobicContact CG1-CG 4.4Å; D155-K183 PolarHBondContact O-NZ 3.08Å; D155-K183 IonicContact OD1-NZ 3.86Å; D155-K183 PolarHBondContact OD1-NZ 2.82Å; R157-K183 WeakPolarHBondContact O-CE 3.35Å; R157-K183 PolarHBondContact O-NZ 3.28Å; L158-K183 HydrophobicContact CD2-CB 4.47Å; L158-K183 HydrophobicContact CD2-CD 4.33Å; A179-K183 PolarHBondContact O-N 2.97Å; A179-K183 VanDerWaalsContact O-N 3.08Å; L180-K183 WeakPolarHBondContact O-CB 3.47Å; L180-K183 PolarHBondContact O-N 3.35Å; L181-K183 VanDerWaalsContact C-N 3.29Å; L181-K183 PolarHBondContact O-N 3.45Å; K183-Y185 VanDerWaalsContact C-N 3.29Å; K183-Y185 PolarHBondContact O-N 3.5Å; K183-A186 WeakPolarHBondContact O-CB 3.39Å; K183-A186 PolarHBondContact O-N 3.48Å; K183-K187 PolarHBondContact O-N 2.9Å; K183-Y192 WeakPolarHBondContact CA-OH 3.42Å; K183-Y192 WeakPolarHBondContact CB-OH 3.44Å; K183-Y192 HydrophobicContact CG-CE2 4.42Å; K183-Y192 WeakPolarHBondContact CG-OH 3.4Å
184A97.8Very high93.4Very high0 Ų05.7 Ų5.70%04%0.04CC..Hα-helixtrans-64.4-38.1178.600000111.3F141 F143 V152 V154 L180 L181 K187 I188F141-A184 HydrophobicContact CB-CB 4.16Å; F141-A184 HydrophobicContact CD2-CB 3.43Å; F141-A184 VanDerWaalsContact CD2-CB 3.43Å; F141-A184 HydrophobicContact CE2-CB 4.18Å; F141-A184 HydrophobicContact CG-CB 4.08Å; F143-A184 HydrophobicContact CE2-CB 3.76Å; F143-A184 HydrophobicContact CZ-CB 3.89Å; V152-A184 HydrophobicContact CB-CB 4.5Å; V152-A184 HydrophobicContact CG1-CB 4.09Å; V154-A184 HydrophobicContact CG1-CB 3.8Å; V154-A184 HydrophobicContact CG2-CB 4.2Å; L180-A184 PolarHBondContact O-N 2.87Å; L181-A184 PolarHBondContact O-N 3.39Å; A184-K187 WeakPolarHBondContact O-CB 3.47Å; A184-K187 PolarHBondContact O-N 3.3Å; A184-I188 PolarHBondContact O-N 3.48Å; A184-I188 VanDerWaalsContact O-N 3.07Å
185Y95.1Very high93.4Very high1 Ų14.5 Ų4.50%0.0043%0.031CC..Hα-helixtrans-67.8-37.8174.5-161.7-106.3000112.4W106 L107 F143 L181 E182 K183 K187 I188 N189 L195 D206 F207W106-Y185 AromaticContact CH2-CE1 3.8Å; W106-Y185 HydrophobicContact CH2-CE1 3.8Å; L107-Y185 HydrophobicContact CD1-CD1 3.7Å; L107-Y185 HydrophobicContact CD1-CE1 3.62Å; L107-Y185 HydrophobicContact CD1-CG 4.32Å; L107-Y185 HydrophobicContact CD2-CD1 3.6Å; L107-Y185 HydrophobicContact CD2-CE1 4.18Å; L107-Y185 HydrophobicContact CD2-CG 4.37Å; L107-Y185 HydrophobicContact CG-CD1 4.32Å; F143-Y185 AromaticContact CD1-CD2 3.66Å; F143-Y185 HydrophobicContact CD1-CD2 3.66Å; F143-Y185 HydrophobicContact CD1-CE2 4.26Å; F143-Y185 AromaticContact CE1-CD2 3.62Å; F143-Y185 HydrophobicContact CE1-CD2 3.62Å; F143-Y185 HydrophobicContact CE1-CG 4.29Å; F143-Y185 HydrophobicContact CG-CD2 4.2Å; F143-Y185 HydrophobicContact CZ-CD2 4.13Å; L181-Y185 WeakPolarHBondContact O-CB 3.48Å; L181-Y185 PolarHBondContact O-N 3.27Å; E182-Y185 PolarHBondContact O-N 3.16Å; K183-Y185 VanDerWaalsContact C-N 3.29Å; K183-Y185 PolarHBondContact O-N 3.5Å; Y185-K187 VanDerWaalsContact C-N 3.33Å; Y185-I188 HydrophobicContact CD2-CD1 3.72Å; Y185-I188 HydrophobicContact CD2-CG1 4.24Å; Y185-I188 HydrophobicContact CE2-CD1 3.92Å; Y185-I188 WeakPolarHBondContact O-CG1 3.4Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.44Å; Y185-N189 PolarHBondContact O-N 2.91Å; Y185-N189 VanDerWaalsContact O-N 3.16Å; Y185-N189 PolarHBondContact O-ND2 3.39Å; Y185-L195 HydrophobicContact CD1-CD1 4.17Å; Y185-L195 HydrophobicContact CD1-CD2 3.44Å; Y185-L195 VanDerWaalsContact CD1-CD2 3.44Å; Y185-L195 HydrophobicContact CD1-CG 4.43Å; Y185-L195 HydrophobicContact CE1-CD2 3.7Å; Y185-D206 HydrophobicContact CE2-CB 3.83Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.14Å; Y185-D206 PolarHBondContact OH-OD2 2.75Å; Y185-F207 HydrophobicContact CD2-CE1 4.19Å; Y185-F207 HydrophobicContact CE2-CE1 4.4Å
186A94.1Very high92.9Very high0 Ų07.1 Ų7.10%05%0.05CC..Hα-helixtrans-63-39.6171.500000111.7F51 E182 K183 N189 G190 C191 Y192 L195F51-A186 HydrophobicContact CZ-CB 4.22Å; E182-A186 WeakPolarHBondContact O-CB 3.47Å; E182-A186 PolarHBondContact O-N 3.22Å; K183-A186 WeakPolarHBondContact O-CB 3.39Å; K183-A186 PolarHBondContact O-N 3.48Å; A186-N189 CarbonylContact O-C 3.51Å; A186-N189 PolarHBondContact O-N 3.2Å; A186-G190 CarbonylContact O-C 3.6Å; A186-G190 PolarHBondContact O-N 2.74Å; A186-C191 PolarHBondContact O-N 3.17Å; A186-Y192 HydrophobicContact CB-CD1 3.84Å; A186-Y192 HydrophobicContact CB-CD2 4.05Å; A186-Y192 HydrophobicContact CB-CE1 4.11Å; A186-Y192 HydrophobicContact CB-CE2 4.3Å; A186-Y192 HydrophobicContact CB-CG 3.83Å; A186-L195 HydrophobicContact CB-CD1 3.82Å; A186-L195 HydrophobicContact CB-CG 4.33Å
187K95.9Very high91.9Very high5 Ų59 Ų92%0.0227%0.071CC..Hα-helixtrans-61.5-50.2176.7175174.7179.6176.70111.6Y27 D48 F51 V152 V153 V154 K183 A184 Y185 N189 G190Y27-K187 HydrophobicContact CE1-CG 4.14Å; D48-K187 VanDerWaalsContact CG-NZ 3.27Å; D48-K187 IonicContact OD1-NZ 2.65Å; D48-K187 PolarHBondContact OD1-NZ 2.92Å; D48-K187 VanDerWaalsContact OD1-NZ 3.1Å; D48-K187 WeakPolarHBondContact OD2-CE 3.39Å; D48-K187 IonicContact OD2-NZ 3.32Å; D48-K187 PolarHBondContact OD2-NZ 3.03Å; F51-K187 HydrophobicContact CB-CB 4.28Å; F51-K187 HydrophobicContact CB-CD 3.65Å; F51-K187 HydrophobicContact CB-CG 3.8Å; F51-K187 HydrophobicContact CD1-CB 4.13Å; F51-K187 HydrophobicContact CD2-CB 3.82Å; F51-K187 HydrophobicContact CD2-CG 3.9Å; F51-K187 HydrophobicContact CE1-CB 4.39Å; F51-K187 HydrophobicContact CE2-CB 4.12Å; F51-K187 HydrophobicContact CG-CB 3.82Å; F51-K187 HydrophobicContact CG-CD 4.14Å; F51-K187 HydrophobicContact CG-CG 3.85Å; F51-K187 HydrophobicContact CZ-CB 4.38Å; V152-K187 HydrophobicContact CG1-CD 4.04Å; V152-K187 HydrophobicContact CG1-CG 4.42Å; V153-K187 PolarHBondContact O-NZ 2.97Å; V154-K187 HydrophobicContact CG1-CB 4.43Å; V154-K187 HydrophobicContact CG1-CD 3.86Å; K183-K187 PolarHBondContact O-N 2.9Å; A184-K187 WeakPolarHBondContact O-CB 3.47Å; A184-K187 PolarHBondContact O-N 3.3Å; Y185-K187 VanDerWaalsContact C-N 3.33Å; K187-N189 PolarHBondContact O-N 3.2Å; K187-G190 WeakPolarHBondContact O-CA 3.43Å; K187-G190 PolarHBondContact O-N 3.47Å
188I92.5Very high90.9Very high5 Ų510.4 Ų10.43%0.0269%0.085CC..Hα-helixtrans-65.9-26.2178.162.4170.8000113Y27 F143 Q145 V152 A184 Y185 G190 H419Y27-I188 HydrophobicContact CD1-CG2 4.23Å; Y27-I188 HydrophobicContact CD2-CG2 4.44Å; Y27-I188 HydrophobicContact CE1-CG2 4.17Å; Y27-I188 HydrophobicContact CE2-CG2 4.39Å; Y27-I188 HydrophobicContact CG-CG2 4.36Å; F143-I188 HydrophobicContact CB-CD1 3.94Å; F143-I188 HydrophobicContact CD2-CD1 3.79Å; F143-I188 HydrophobicContact CD2-CG2 4.48Å; F143-I188 HydrophobicContact CE2-CD1 4.42Å; F143-I188 HydrophobicContact CG-CD1 3.85Å; Q145-I188 HydrophobicContact CG-CD1 4.41Å; V152-I188 HydrophobicContact CB-CG2 4.17Å; V152-I188 HydrophobicContact CG1-CG2 3.85Å; V152-I188 HydrophobicContact CG2-CG2 3.23Å; A184-I188 PolarHBondContact O-N 3.48Å; A184-I188 VanDerWaalsContact O-N 3.07Å; Y185-I188 HydrophobicContact CD2-CD1 3.72Å; Y185-I188 HydrophobicContact CD2-CG1 4.24Å; Y185-I188 HydrophobicContact CE2-CD1 3.92Å; Y185-I188 WeakPolarHBondContact O-CG1 3.4Å; I188-G190 VanDerWaalsContact C-N 3.33Å; I188-H419 PolarHBondContact O-CE1 3.4Å; I188-H419 PolarHBondContact O-NE2 2.8Å
189N89.4Confident90.2Very high9 Ų912.1 Ų12.15%0.04810%0.097CC..Hα-helixtrans-87.7-4.3173.7-75-81.8000112.8Y185 A186 K187 A194 L195Y185-N189 WeakPolarHBondContact CE1-ND2 3.44Å; Y185-N189 PolarHBondContact O-N 2.91Å; Y185-N189 VanDerWaalsContact O-N 3.16Å; Y185-N189 PolarHBondContact O-ND2 3.39Å; A186-N189 CarbonylContact O-C 3.51Å; A186-N189 PolarHBondContact O-N 3.2Å; K187-N189 PolarHBondContact O-N 3.2Å; N189-A194 HydrophobicContact CB-CB 4.07Å; N189-L195 HydrophobicContact CB-CD2 3.88Å
190G90.8Very high89.6Confident25 Ų2512.7 Ų12.726%0.25810%0.1SC..THydrogen-bonded Turntrans90.3-9173.400000117A186 K187 I188 K422A186-G190 CarbonylContact O-C 3.6Å; A186-G190 PolarHBondContact O-N 2.74Å; K187-G190 WeakPolarHBondContact O-CA 3.43Å; K187-G190 PolarHBondContact O-N 3.47Å; I188-G190 VanDerWaalsContact C-N 3.33Å; G190-K422 PolarHBondContact O-NZ 2.88Å
191C92.3Very high89.1Confident0 Ų013.7 Ų13.70%011%0.106CC..SBendtrans-178.1160.8169.253.70000110.8S57 A186 E193 A194 K422S57-C191 CarbonylContact O-C 3.54Å; S57-C191 VanDerWaalsContact O-CA 3.22Å; S57-C191 WeakPolarHBondContact O-CA 3.15Å; S57-C191 VanDerWaalsContact O-CB 3.29Å; S57-C191 WeakPolarHBondContact O-CB 3.28Å; A186-C191 PolarHBondContact O-N 3.17Å; C191-E193 VanDerWaalsContact C-N 3.34Å; C191-E193 PolarHBondContact O-N 3.09Å; C191-A194 VanDerWaalsContact O-CB 3.31Å; C191-A194 WeakPolarHBondContact O-CB 3.49Å; C191-A194 PolarHBondContact O-N 2.97Å; C191-A194 VanDerWaalsContact O-N 3.1Å; C191-K422 VanDerWaalsContact SG-CE 3.59Å
192Y93.2Very high88.6Confident1 Ų114.8 Ų14.80%0.00411%0.111CC..G310 helixtrans-57.4-42.2176.2-80.4-87.8000113.1F51 S57 L58 W75 L102 P159 F167 E182 K183 A186 A194 L195F51-Y192 HydrophobicContact CE1-CE2 4.16Å; F51-Y192 HydrophobicContact CZ-CD2 4.31Å; F51-Y192 HydrophobicContact CZ-CE2 4.36Å; S57-Y192 WeakPolarHBondContact O-CD2 3.38Å; S57-Y192 PolarHBondContact O-N 3.49Å; L58-Y192 HydrophobicContact CD2-CD2 4.29Å; L58-Y192 WeakPolarHBondContact O-CB 3.49Å; W75-Y192 AromaticContact CH2-CE2 3.99Å; W75-Y192 HydrophobicContact CH2-CE2 3.99Å; W75-Y192 HydrophobicContact CZ3-CE2 4.46Å; L102-Y192 HydrophobicContact CD2-CD1 4.25Å; P159-Y192 HydrophobicContact CG-CE2 3.89Å; F167-Y192 HydrophobicContact CB-CE1 4.4Å; F167-Y192 AromaticContact CD2-CD1 3.42Å; F167-Y192 HydrophobicContact CD2-CD1 3.42Å; F167-Y192 VanDerWaalsContact CD2-CD1 3.42Å; F167-Y192 HydrophobicContact CD2-CD2 4.37Å; F167-Y192 AromaticContact CD2-CE1 3.34Å; F167-Y192 HydrophobicContact CD2-CE1 3.34Å; F167-Y192 HydrophobicContact CD2-CE2 4.3Å; F167-Y192 AromaticContact CD2-CG 3.95Å; F167-Y192 HydrophobicContact CD2-CG 3.95Å; F167-Y192 AromaticContact CD2-CZ 3.8Å; F167-Y192 AromaticContact CE2-CD1 3.44Å; F167-Y192 HydrophobicContact CE2-CD1 3.44Å; F167-Y192 VanDerWaalsContact CE2-CD1 3.44Å; F167-Y192 AromaticContact CE2-CD2 3.81Å; F167-Y192 HydrophobicContact CE2-CD2 3.81Å; F167-Y192 AromaticContact CE2-CE1 3.77Å; F167-Y192 HydrophobicContact CE2-CE1 3.77Å; F167-Y192 HydrophobicContact CE2-CE2 4.1Å; F167-Y192 AromaticContact CE2-CG 3.45Å; F167-Y192 HydrophobicContact CE2-CG 3.45Å; F167-Y192 VanDerWaalsContact CE2-CG 3.45Å; F167-Y192 HydrophobicContact CG-CD1 4.06Å; F167-Y192 HydrophobicContact CG-CE1 4.08Å; F167-Y192 HydrophobicContact CZ-CD1 4.11Å; F167-Y192 HydrophobicContact CZ-CG 4.01Å; E182-Y192 HydrophobicContact CG-CE1 4.12Å; K183-Y192 WeakPolarHBondContact CA-OH 3.42Å; K183-Y192 WeakPolarHBondContact CB-OH 3.44Å; K183-Y192 HydrophobicContact CG-CE2 4.42Å; K183-Y192 WeakPolarHBondContact CG-OH 3.4Å; A186-Y192 HydrophobicContact CB-CD1 3.84Å; A186-Y192 HydrophobicContact CB-CD2 4.05Å; A186-Y192 HydrophobicContact CB-CE1 4.11Å; A186-Y192 HydrophobicContact CB-CE2 4.3Å; A186-Y192 HydrophobicContact CB-CG 3.83Å; Y192-A194 PolarHBondContact O-N 3.22Å; Y192-A194 VanDerWaalsContact O-N 3.07Å; Y192-L195 WeakPolarHBondContact O-CB 3.19Å; Y192-L195 WeakPolarHBondContact O-CG 2.92Å; Y192-L195 PolarHBondContact O-N 3.36Å
193E90.4Very high88.3Confident20 Ų2014.7 Ų14.79%0.09311%0.11CC..G310 helixtrans-59.8-24.2179.2-167174.9174.600113.3L58 G59 F60 N61 E62 L63 C191 L195 S196L58-E193 WeakPolarHBondContact O-CB 3.44Å; L58-E193 PolarHBondContact O-N 3.15Å; G59-E193 VanDerWaalsContact CA-OE2 3.26Å; G59-E193 WeakPolarHBondContact CA-OE2 3.35Å; F60-E193 HydrophobicContact CE1-CB 4.33Å; F60-E193 HydrophobicContact CE1-CG 4.36Å; F60-E193 PolarHBondContact N-OE2 3.12Å; N61-E193 WeakPolarHBondContact CB-OE1 3.03Å; N61-E193 PolarHBondContact N-OE1 3.5Å; N61-E193 PolarHBondContact N-OE2 3.42Å; E62-E193 WeakPolarHBondContact CB-OE1 3.19Å; E62-E193 PolarHBondContact N-OE1 2.99Å; E62-E193 PolarHBondContact N-OE2 3Å; L63-E193 HydrophobicContact CB-CB 4.18Å; L63-E193 HydrophobicContact CB-CG 4.44Å; L63-E193 HydrophobicContact CD1-CB 4.26Å; L63-E193 PolarHBondContact N-OE2 3.09Å; C191-E193 VanDerWaalsContact C-N 3.34Å; C191-E193 PolarHBondContact O-N 3.09Å; E193-L195 PolarHBondContact O-N 3.21Å; E193-S196 WeakPolarHBondContact O-CB 3.36Å; E193-S196 PolarHBondContact O-N 3.37Å; E193-S196 VanDerWaalsContact O-N 3.15Å
194A87.7Confident87.9Confident18 Ų1814.7 Ų14.715%0.14911%0.11CC..G310 helixtrans-69.4-16.2177.200000113.1N189 C191 Y192 R418N189-A194 HydrophobicContact CB-CB 4.07Å; C191-A194 VanDerWaalsContact O-CB 3.31Å; C191-A194 WeakPolarHBondContact O-CB 3.49Å; C191-A194 PolarHBondContact O-N 2.97Å; C191-A194 VanDerWaalsContact O-N 3.1Å; Y192-A194 PolarHBondContact O-N 3.22Å; Y192-A194 VanDerWaalsContact O-N 3.07Å; A194-R418 PolarHBondContact O-NH1 2.91Å
195L86.8Confident87.7Confident0 Ų014.8 Ų14.80%011%0.111CC..G310 helixtrans-82.7-14.7175.1-51.4-173.7000112.6L102 D104 W106 L107 E182 Y185 A186 N189 Y192 E193 G197L102-L195 HydrophobicContact CD2-CB 4.17Å; D104-L195 HydrophobicContact CB-CB 4.19Å; W106-L195 PolarHBondContact NE1-O 3.32Å; L107-L195 HydrophobicContact CD2-CD1 3.99Å; E182-L195 HydrophobicContact CG-CD1 4.22Å; Y185-L195 HydrophobicContact CD1-CD1 4.17Å; Y185-L195 HydrophobicContact CD1-CD2 3.44Å; Y185-L195 VanDerWaalsContact CD1-CD2 3.44Å; Y185-L195 HydrophobicContact CD1-CG 4.43Å; Y185-L195 HydrophobicContact CE1-CD2 3.7Å; A186-L195 HydrophobicContact CB-CD1 3.82Å; A186-L195 HydrophobicContact CB-CG 4.33Å; N189-L195 HydrophobicContact CB-CD2 3.88Å; Y192-L195 WeakPolarHBondContact O-CB 3.19Å; Y192-L195 WeakPolarHBondContact O-CG 2.92Å; Y192-L195 PolarHBondContact O-N 3.36Å; E193-L195 PolarHBondContact O-N 3.21Å; L195-G197 PolarHBondContact O-N 3.42Å
196S82.3Confident87.6Confident57 Ų5714.9 Ų14.940%0.39911%0.111SC..SBendtrans-67.1122.4177.3-173.60000110.6E193E193-S196 WeakPolarHBondContact O-CB 3.36Å; E193-S196 PolarHBondContact O-N 3.37Å; E193-S196 VanDerWaalsContact O-N 3.15Å
197G72.7Confident87.5Confident45 Ų4514.9 Ų14.946%0.46411%0.111SC..SBendtrans75.382178.600000114G103 L195 R421G103-G197 PolarHBondContact O-N 3.23Å; L195-G197 PolarHBondContact O-N 3.42Å; G197-R421 PolarHBondContact O-NH1 3.06Å
198G73.2Confident87.3Confident29 Ų2914.7 Ų14.730%0.29911%0.11SC..  trans-139.4-175.4170.900000112.2W106W106-G198 VanDerWaalsContact CG-C 3.43Å; W106-G198 VanDerWaalsContact NE1-N 3.17Å
199S78.1Confident87.2Confident36 Ų3614.4 Ų14.425%0.25211%0.109SC..  trans-117.7143.8177.3169.20000110.1W106 I201 E202W106-S199 WeakPolarHBondContact CZ3-O 3.3Å; S199-I201 PolarHBondContact O-N 2.88Å; S199-I201 PolarHBondContact OG-N 3.25Å; S199-E202 PolarHBondContact N-OE1 2.93Å; S199-E202 VanDerWaalsContact O-CB 3.31Å; S199-E202 WeakPolarHBondContact O-CB 3.35Å; S199-E202 PolarHBondContact O-N 3.32Å
200T82.3Confident87.3Confident13 Ų1314 Ų148%0.0811%0.107CC..Hα-helixtrans-57.5-31.4179.7-44.30000112.1W106 A109 A110 E202 G203 F204 E339W106-T200 PolarHBondContact O-OG1 3.39Å; A109-T200 HydrophobicContact CB-CG2 3.91Å; A110-T200 HydrophobicContact CB-CG2 3.92Å; T200-E202 PolarHBondContact O-N 3.35Å; T200-G203 PolarHBondContact O-N 2.94Å; T200-G203 VanDerWaalsContact O-N 3.1Å; T200-F204 HydrophobicContact CG2-CD2 4.09Å; T200-F204 HydrophobicContact CG2-CE2 3.67Å; T200-F204 HydrophobicContact CG2-CZ 3.93Å; T200-F204 WeakPolarHBondContact O-CD2 3.2Å; T200-F204 PolarHBondContact O-N 3.37Å; T200-E339 VanDerWaalsContact CB-OE2 3.29Å; T200-E339 WeakPolarHBondContact CB-OE2 3.35Å
201I86.1Confident87.4Confident22 Ų2212.8 Ų12.811%0.1139%0.094CC..Hα-helixtrans-48.7-45169-68.3176.3000111.2S199 G203 F204 E205 A212 R214 E339S199-I201 PolarHBondContact O-N 2.88Å; S199-I201 PolarHBondContact OG-N 3.25Å; I201-G203 VanDerWaalsContact C-N 3.33Å; I201-G203 PolarHBondContact O-N 3.35Å; I201-F204 PolarHBondContact O-N 2.97Å; I201-E205 VanDerWaalsContact O-CG 3.22Å; I201-E205 WeakPolarHBondContact O-CG 3.38Å; I201-E205 PolarHBondContact O-N 2.89Å; I201-A212 HydrophobicContact CB-CB 4.1Å; I201-A212 HydrophobicContact CG1-CB 4.17Å; I201-A212 HydrophobicContact CG2-CB 3.49Å; I201-A212 VanDerWaalsContact CG2-CB 3.49Å; I201-R214 HydrophobicContact CD1-CB 3.87Å; I201-R214 HydrophobicContact CD1-CG 4.39Å; I201-E339 HydrophobicContact CD1-CB 4.46Å; I201-E339 HydrophobicContact CD1-CG 3.97Å; I201-E339 HydrophobicContact CG1-CB 4.02Å; I201-E339 HydrophobicContact CG1-CG 3.89Å
202E86.8Confident87.3Confident22 Ų2213 Ų1310%0.10310%0.096CC..Hα-helixtrans-66.5-39.1-177.7-58.4-176.1-122.800111.9W106 S199 T200 D206 R418 R470W106-E202 HydrophobicContact CZ3-CB 4.04Å; S199-E202 PolarHBondContact N-OE1 2.93Å; S199-E202 VanDerWaalsContact O-CB 3.31Å; S199-E202 WeakPolarHBondContact O-CB 3.35Å; S199-E202 PolarHBondContact O-N 3.32Å; T200-E202 PolarHBondContact O-N 3.35Å; E202-D206 WeakPolarHBondContact O-CB 3.47Å; E202-D206 PolarHBondContact O-N 3.17Å; E202-R418 IonicContact OE1-CZ 3.95Å; E202-R418 IonicContact OE1-NH2 3.19Å; E202-R418 PolarHBondContact OE1-NH2 3.29Å; E202-R418 IonicContact OE2-CZ 2.98Å; E202-R418 IonicContact OE2-NE 4Å; E202-R418 PolarHBondContact OE2-NE 3.08Å; E202-R418 IonicContact OE2-NH2 3.17Å; E202-R418 PolarHBondContact OE2-NH2 3.32Å; E202-R470 VanDerWaalsContact CA-NH2 3.3Å; E202-R470 PolarHBondContact O-NH2 3.48Å; E202-R470 VanDerWaalsContact O-NH2 3.11Å; E202-R470 IonicContact OE2-NE 2.79Å; E202-R470 IonicContact OE2-NH1 3.47Å
203G89Confident87.2Confident0 Ų013.1 Ų13.10%010%0.097CC..Hα-helixtrans-66.8-42.3175.300000111.1T200 I201 E205 D206 F207T200-G203 PolarHBondContact O-N 2.94Å; T200-G203 VanDerWaalsContact O-N 3.1Å; I201-G203 VanDerWaalsContact C-N 3.33Å; I201-G203 PolarHBondContact O-N 3.35Å; G203-E205 PolarHBondContact O-N 3.09Å; G203-D206 PolarHBondContact O-N 3.21Å; G203-F207 VanDerWaalsContact O-CB 3.28Å; G203-F207 WeakPolarHBondContact O-CB 3.33Å; G203-F207 WeakPolarHBondContact O-CD2 3.49Å; G203-F207 WeakPolarHBondContact O-CG 3.46Å; G203-F207 PolarHBondContact O-N 3.36Å
204F90.3Very high87.1Confident1 Ų116.5 Ų16.50%0.00411%0.108CC..Hα-helixtrans-58.9-48.3175.8-76.2-41.8000112.4A110 S113 T200 I201 D206 F207 T208 L237 C341A110-F204 HydrophobicContact CB-CD1 4.13Å; A110-F204 HydrophobicContact CB-CE1 4.34Å; S113-F204 VanDerWaalsContact CB-CE1 3.44Å; T200-F204 HydrophobicContact CG2-CD2 4.09Å; T200-F204 HydrophobicContact CG2-CE2 3.67Å; T200-F204 HydrophobicContact CG2-CZ 3.93Å; T200-F204 WeakPolarHBondContact O-CD2 3.2Å; T200-F204 PolarHBondContact O-N 3.37Å; I201-F204 PolarHBondContact O-N 2.97Å; F204-D206 VanDerWaalsContact C-N 3.33Å; F204-D206 PolarHBondContact O-N 2.93Å; F204-F207 PolarHBondContact O-N 2.94Å; F204-T208 VanDerWaalsContact O-CB 3.31Å; F204-T208 WeakPolarHBondContact O-CB 3.19Å; F204-T208 VanDerWaalsContact O-CG2 3.26Å; F204-T208 WeakPolarHBondContact O-CG2 3.29Å; F204-T208 PolarHBondContact O-N 3.38Å; F204-T208 PolarHBondContact O-OG1 3.05Å; F204-L237 HydrophobicContact CD1-CB 4.08Å; F204-L237 HydrophobicContact CD1-CD1 3.89Å; F204-L237 HydrophobicContact CE1-CB 3.78Å; F204-L237 HydrophobicContact CE1-CD1 4.02Å; F204-L237 HydrophobicContact CZ-CB 4.28Å; F204-C341 HydrophobicContact CB-CB 3.62Å; F204-C341 HydrophobicContact CD1-CB 4.41Å; F204-C341 HydrophobicContact CD2-CB 4.06Å; F204-C341 HydrophobicContact CG-CB 3.82Å
205E92.4Very high87.2Confident2 Ų216.9 Ų16.91%0.00911%0.107CC..Hα-helixtrans-62.9-42.8179.2-65.7172.4162.200111.1I201 G203 F207 T208 G209 G210 A212 M413 R470 R501I201-E205 VanDerWaalsContact O-CG 3.22Å; I201-E205 WeakPolarHBondContact O-CG 3.38Å; I201-E205 PolarHBondContact O-N 2.89Å; G203-E205 PolarHBondContact O-N 3.09Å; E205-F207 VanDerWaalsContact C-N 3.31Å; E205-F207 PolarHBondContact O-N 3.17Å; E205-T208 PolarHBondContact O-N 2.89Å; E205-G209 WeakPolarHBondContact O-CA 3.49Å; E205-G209 PolarHBondContact O-N 2.91Å; E205-G210 WeakPolarHBondContact CG-O 3.29Å; E205-A212 HydrophobicContact CG-CB 3.93Å; E205-M413 HydrophobicContact CB-CE 4.4Å; E205-M413 WeakPolarHBondContact OE2-CE 3.43Å; E205-R470 IonicContact OE2-CZ 3.17Å; E205-R470 IonicContact OE2-NE 3.96Å; E205-R470 IonicContact OE2-NH2 3Å; E205-R470 PolarHBondContact OE2-NH2 2.89Å; E205-R501 VanDerWaalsContact CG-NH2 3.26Å; E205-R501 IonicContact OE1-NH2 2.82Å; E205-R501 PolarHBondContact OE1-NH2 3.47Å
206D93.1Very high87.4Confident2 Ų221.9 Ų21.91%0.01113%0.13CC..Hα-helixtrans-73.6-22.7-177.9-66.58.2000113.1F143 W144 Q145 Y185 E202 G203 F204 R470F143-D206 CarbonylContact C-O 3.57Å; F143-D206 WeakPolarHBondContact CA-O 3.38Å; W144-D206 PolarHBondContact N-O 2.96Å; W144-D206 WeakPolarHBondContact O-CA 3.28Å; Q145-D206 PolarHBondContact NE2-OD2 2.94Å; Y185-D206 HydrophobicContact CE2-CB 3.83Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.14Å; Y185-D206 PolarHBondContact OH-OD2 2.75Å; E202-D206 WeakPolarHBondContact O-CB 3.47Å; E202-D206 PolarHBondContact O-N 3.17Å; G203-D206 PolarHBondContact O-N 3.21Å; F204-D206 VanDerWaalsContact C-N 3.33Å; F204-D206 PolarHBondContact O-N 2.93Å; D206-R470 VanDerWaalsContact CG-NH1 3.28Å; D206-R470 IonicContact OD1-CZ 2.67Å; D206-R470 VanDerWaalsContact OD1-CZ 3.24Å; D206-R470 IonicContact OD1-NH1 2.88Å; D206-R470 PolarHBondContact OD1-NH1 3.28Å; D206-R470 IonicContact OD1-NH2 3.44Å; D206-R470 PolarHBondContact OD1-NH2 3.47Å; D206-R470 IonicContact OD2-NH1 3.25Å; D206-R470 PolarHBondContact OD2-NH1 3.16Å
207F92.3Very high88Confident1 Ų119.3 Ų19.30%0.00411%0.112CC..Hα-helixtrans-91.5-16175.9-63.4-23.6000113.8L107 A110 I111 L114 V124 F143 Y185 G203 F204 E205L107-F207 HydrophobicContact CD1-CE1 4.31Å; L107-F207 HydrophobicContact CD1-CE2 3.97Å; L107-F207 HydrophobicContact CD1-CZ 3.42Å; L107-F207 VanDerWaalsContact CD1-CZ 3.42Å; L107-F207 HydrophobicContact CG-CZ 4.32Å; A110-F207 HydrophobicContact CB-CD2 3.9Å; A110-F207 HydrophobicContact CB-CE2 3.71Å; I111-F207 HydrophobicContact CB-CE2 4.35Å; I111-F207 HydrophobicContact CD1-CZ 4.29Å; I111-F207 HydrophobicContact CG1-CE2 3.43Å; I111-F207 VanDerWaalsContact CG1-CE2 3.43Å; I111-F207 HydrophobicContact CG1-CZ 3.57Å; L114-F207 HydrophobicContact CD1-CB 4.43Å; L114-F207 HydrophobicContact CD2-CB 4.28Å; L114-F207 HydrophobicContact CD2-CD2 4.42Å; L114-F207 HydrophobicContact CD2-CG 4.36Å; V124-F207 HydrophobicContact CG1-CD1 4.12Å; V124-F207 HydrophobicContact CG2-CB 3.95Å; V124-F207 WeakPolarHBondContact CG2-O 3.47Å; F143-F207 AromaticContact CD1-CD1 3.92Å; F143-F207 HydrophobicContact CD1-CD1 3.92Å; F143-F207 AromaticContact CD1-CE1 3.86Å; F143-F207 HydrophobicContact CD1-CE1 3.86Å; F143-F207 HydrophobicContact CE1-CD1 4.14Å; F143-F207 AromaticContact CE1-CE1 3.71Å; F143-F207 HydrophobicContact CE1-CE1 3.71Å; Y185-F207 HydrophobicContact CD2-CE1 4.19Å; Y185-F207 HydrophobicContact CE2-CE1 4.4Å; G203-F207 VanDerWaalsContact O-CB 3.28Å; G203-F207 WeakPolarHBondContact O-CB 3.33Å; G203-F207 WeakPolarHBondContact O-CD2 3.49Å; G203-F207 WeakPolarHBondContact O-CG 3.46Å; G203-F207 PolarHBondContact O-N 3.36Å; F204-F207 PolarHBondContact O-N 2.94Å; E205-F207 VanDerWaalsContact C-N 3.31Å; E205-F207 PolarHBondContact O-N 3.17Å
208T91.4Very high88.9Confident0 Ų021.3 Ų21.30%013%0.125CC..Hα-helixtrans-127.7-22.4-17169.30000114.2V120 F204 E205 G210 L237 C341 L343V120-T208 HydrophobicContact CG1-CG2 3.51Å; F204-T208 VanDerWaalsContact O-CB 3.31Å; F204-T208 WeakPolarHBondContact O-CB 3.19Å; F204-T208 VanDerWaalsContact O-CG2 3.26Å; F204-T208 WeakPolarHBondContact O-CG2 3.29Å; F204-T208 PolarHBondContact O-N 3.38Å; F204-T208 PolarHBondContact O-OG1 3.05Å; E205-T208 PolarHBondContact O-N 2.89Å; T208-G210 PolarHBondContact O-N 3.37Å; T208-G210 PolarHBondContact OG1-N 2.74Å; T208-L237 HydrophobicContact CG2-CD1 3.73Å; T208-C341 PolarHBondContact OG1-SG 3.49Å; T208-L343 HydrophobicContact CG2-CD2 3.71Å
209G91.3Very high89.7Confident0 Ų030.1 Ų30.10%015%0.149CC..  trans67.4-2.5-163.800000114.2W144 E205 T344 R501W144-G209 VanDerWaalsContact CD1-CA 3.46Å; E205-G209 WeakPolarHBondContact O-CA 3.49Å; E205-G209 PolarHBondContact O-N 2.91Å; G209-T344 VanDerWaalsContact O-CG2 3.3Å; G209-T344 WeakPolarHBondContact O-CG2 3.36Å; G209-R501 PolarHBondContact O-NH1 3.24Å
210G91.9Very high90.2Very high0 Ų030.8 Ų30.80%015%0.152CC..  trans-74164.9-179.600000113.3E205 T208 N342 R501E205-G210 WeakPolarHBondContact CG-O 3.29Å; T208-G210 PolarHBondContact O-N 3.37Å; T208-G210 PolarHBondContact OG1-N 2.74Å; G210-N342 CarbonylContact C-O 3.5Å; G210-N342 VanDerWaalsContact C-O 3.31Å; G210-N342 WeakPolarHBondContact CA-O 3.45Å; G210-R501 PolarHBondContact O-NH1 3.33Å; G210-R501 PolarHBondContact O-NH2 3.03Å
211I91.6Very high90.3Very high0 Ų033.5 Ų33.50%017%0.166CC..EExtended strand (participates in β ladder)trans-93.7125.7-179.7-169.6173.2000111.7C341 N342 I409 R501 F503I211-C341 CarbonylContact O-C 3.53Å; I211-C341 WeakPolarHBondContact O-CA 3.47Å; I211-N342 HydrophobicContact CG2-CB 3.89Å; I211-N342 PolarHBondContact N-O 3.4Å; I211-N342 PolarHBondContact O-N 3.32Å; I211-I409 HydrophobicContact CD1-CB 4.38Å; I211-I409 HydrophobicContact CD1-CG2 3.68Å; I211-I409 HydrophobicContact CG1-CG2 4.38Å; I211-R501 HydrophobicContact CD1-CG 4.12Å; I211-F503 HydrophobicContact CB-CD2 3.93Å; I211-F503 HydrophobicContact CB-CE1 4.48Å; I211-F503 HydrophobicContact CB-CE2 3.79Å; I211-F503 HydrophobicContact CB-CG 4.38Å; I211-F503 HydrophobicContact CB-CZ 4.09Å; I211-F503 HydrophobicContact CD1-CD2 4.23Å; I211-F503 HydrophobicContact CG2-CB 4.12Å; I211-F503 HydrophobicContact CG2-CD1 3.55Å; I211-F503 HydrophobicContact CG2-CD2 3.49Å; I211-F503 VanDerWaalsContact CG2-CD2 3.49Å; I211-F503 HydrophobicContact CG2-CE1 3.75Å; I211-F503 HydrophobicContact CG2-CE2 3.71Å; I211-F503 HydrophobicContact CG2-CG 3.44Å; I211-F503 VanDerWaalsContact CG2-CG 3.44Å; I211-F503 HydrophobicContact CG2-CZ 3.83Å
212A90.7Very high90.4Very high3 Ų338.2 Ų38.23%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-104.1119.1-176.500000113I201 E205 I340 C341 C473I201-A212 HydrophobicContact CB-CB 4.1Å; I201-A212 HydrophobicContact CG1-CB 4.17Å; I201-A212 HydrophobicContact CG2-CB 3.49Å; I201-A212 VanDerWaalsContact CG2-CB 3.49Å; E205-A212 HydrophobicContact CG-CB 3.93Å; A212-I340 CarbonylContact C-O 3.55Å; A212-I340 VanDerWaalsContact CA-O 3.27Å; A212-I340 WeakPolarHBondContact CA-O 3.37Å; A212-C341 HydrophobicContact CB-CB 4.17Å; A212-C473 WeakPolarHBondContact O-CB 3.22Å
213E90.3Very high90.4Very high5 Ų540.4 Ų40.42%0.02321%0.208CC..EExtended strand (participates in β ladder)trans-94147175.8-64.1175.5-92.900110.8E339 I340 N342 I409 R475E213-E339 CarbonylContact O-C 3.6Å; E213-E339 VanDerWaalsContact O-CA 3.25Å; E213-E339 WeakPolarHBondContact O-CA 3.48Å; E213-I340 PolarHBondContact N-O 3.27Å; E213-I340 PolarHBondContact O-N 3.47Å; E213-N342 PolarHBondContact OE1-ND2 2.87Å; E213-I409 HydrophobicContact CG-CG2 3.85Å; E213-I409 WeakPolarHBondContact OE1-CD1 3.47Å; E213-R475 IonicContact OE1-CZ 2.85Å; E213-R475 IonicContact OE1-NE 2.8Å; E213-R475 IonicContact OE1-NH2 3.28Å; E213-R475 PolarHBondContact OE1-NH2 3.24Å; E213-R475 WeakPolarHBondContact OE2-CB 3.38Å; E213-R475 IonicContact OE2-CZ 3.76Å; E213-R475 IonicContact OE2-NE 3.1Å; E213-R475 PolarHBondContact OE2-NE 3.44Å; E213-R475 IonicContact OE2-NH2 3.46Å; E213-R475 PolarHBondContact OE2-NH2 3.01Å
214R89.1Confident90.6Very high90 Ų9040.4 Ų40.434%0.3421%0.208SC..EExtended strand (participates in β ladder)trans-118.9130.7174.7-175174.6161.5-165.3-11.4110.8I201 E216 R337I201-R214 HydrophobicContact CD1-CB 3.87Å; I201-R214 HydrophobicContact CD1-CG 4.39Å; R214-E216 IonicContact NH2-OE1 3.49Å; R214-R337 VanDerWaalsContact NH2-NE 3.11Å
215H90.3Very high90.8Very high27 Ų2740.7 Ų40.713%0.12521%0.21CC..EExtended strand (participates in β ladder)trans-118.8126175.6-62.4-83.8000110.8L224 R337 L338H215-L224 HydrophobicContact CB-CD1 4.12Å; H215-R337 WeakPolarHBondContact O-CA 3.37Å; H215-L338 HydrophobicContact CB-CB 4.3Å; H215-L338 PolarHBondContact N-O 2.73Å; H215-L338 PolarHBondContact O-N 2.84Å
216E90.9Very high90.6Very high104 Ų10443.5 Ų43.549%0.48622%0.222SC..EExtended strand (participates in β ladder)trans-83115171.4-65.1-166.5164.900110.3R214 A218 R219R214-E216 IonicContact NH2-OE1 3.49Å; E216-A218 VanDerWaalsContact C-N 3.25Å; E216-A218 PolarHBondContact O-N 3.05Å; E216-R219 CarbonylContact O-C 3.59Å; E216-R219 PolarHBondContact O-N 3.13Å; E216-R219 VanDerWaalsContact O-N 3.12Å
217L94Very high90.5Very high3 Ų344.3 Ų44.32%0.01623%0.226CC..THydrogen-bonded Turntrans-75.3-15.7-172.2-59.1-179.4000113.5R219 P220 L224 F331 L332 Y335 S336 L338L217-R219 PolarHBondContact O-N 2.86Å; L217-P220 WeakPolarHBondContact O-CD 3.49Å; L217-L224 HydrophobicContact CD2-CD2 3.62Å; L217-F331 HydrophobicContact CD1-CD1 4.21Å; L217-F331 HydrophobicContact CD1-CE1 3.51Å; L217-F331 HydrophobicContact CD1-CE2 4.22Å; L217-F331 HydrophobicContact CD1-CZ 3.51Å; L217-F331 HydrophobicContact CD2-CE1 3.85Å; L217-F331 HydrophobicContact CD2-CZ 4.43Å; L217-F331 HydrophobicContact CG-CE1 4.33Å; L217-L332 HydrophobicContact CB-CD2 4.22Å; L217-L332 HydrophobicContact CD2-CD2 3.98Å; L217-Y335 VanDerWaalsContact CD1-CB 3.46Å; L217-S336 PolarHBondContact N-O 2.93Å; L217-L338 HydrophobicContact CD1-CB 4.45Å; L217-L338 HydrophobicContact CD2-CB 3.83Å; L217-L338 HydrophobicContact CG-CB 4.37Å
218A91.5Very high90.5Very high88 Ų8844.2 Ų44.273%0.72723%0.226SC*.THydrogen-bonded Turntrans-68.5-21.117100000112.9E216E216-A218 VanDerWaalsContact C-N 3.25Å; E216-A218 PolarHBondContact O-N 3.05Å
219R89.6Confident90.5Very high214 Ų21446.1 Ų46.181%0.80823%0.234SC*.SBendtrans-139.467.9176.5-60.3-177.3-158.4164.19.8108.9E216 L217E216-R219 CarbonylContact O-C 3.59Å; E216-R219 PolarHBondContact O-N 3.13Å; E216-R219 VanDerWaalsContact O-N 3.12Å; L217-R219 PolarHBondContact O-N 2.86Å
220P88.4Confident90.3Very high49 Ų4948.2 Ų48.232%0.31824%0.244SC..  trans-71.7149.4-172.431.6-32.9000110.6L217 L224 L332L217-P220 WeakPolarHBondContact O-CD 3.49Å; P220-L224 HydrophobicContact CB-CD2 3.74Å; P220-L332 HydrophobicContact CB-CD2 3.8Å; P220-L332 HydrophobicContact CG-CD1 4.07Å; P220-L332 HydrophobicContact CG-CD2 4Å
221D85.7Confident90.2Very high70 Ų7048.4 Ų48.437%0.37425%0.245SC..  trans-58.5134.7164.7-170.3-65.7000108.9H223 L224 I227D221-H223 PolarHBondContact O-N 3.24Å; D221-H223 WeakPolarHBondContact OD1-CA 3.22Å; D221-H223 WeakPolarHBondContact OD1-CB 3.5Å; D221-H223 IonicContact OD1-CG 3.8Å; D221-H223 PolarHBondContact OD1-N 3.01Å; D221-H223 IonicContact OD1-ND1 2.94Å; D221-H223 PolarHBondContact OD1-ND1 2.77Å; D221-L224 HydrophobicContact CB-CB 4.25Å; D221-L224 WeakPolarHBondContact O-CB 3.47Å; D221-L224 PolarHBondContact O-N 3.27Å; D221-I227 HydrophobicContact CB-CD1 4.47Å
222P87.5Confident90Very high121 Ų12150.4 Ų50.479%0.78626%0.255SS*.THydrogen-bonded Turntrans-54-26.6176.6-26.835.2000114.3
223H88.1Confident89.6Confident68 Ų6857.1 Ų57.132%0.31528%0.284SS..THydrogen-bonded Turntrans-100.110.7179.3-50.990.1000113D221 F225 K226 I227D221-H223 PolarHBondContact O-N 3.24Å; D221-H223 WeakPolarHBondContact OD1-CA 3.22Å; D221-H223 WeakPolarHBondContact OD1-CB 3.5Å; D221-H223 IonicContact OD1-CG 3.8Å; D221-H223 PolarHBondContact OD1-N 3.01Å; D221-H223 IonicContact OD1-ND1 2.94Å; D221-H223 PolarHBondContact OD1-ND1 2.77Å; H223-F225 VanDerWaalsContact C-N 3.25Å; H223-F225 PolarHBondContact O-N 2.67Å; H223-F225 VanDerWaalsContact O-N 3.15Å; H223-K226 WeakPolarHBondContact O-CA 3.45Å; H223-K226 WeakPolarHBondContact O-CB 3.31Å; H223-K226 PolarHBondContact O-N 3.47Å; H223-I227 PolarHBondContact O-N 3.38Å
224L92.6Very high89.4Confident1 Ų157.3 Ų57.31%0.00529%0.285CS..Hα-helixtrans-54-39.5-174.9-177.160.8000113.2H215 L217 P220 D221 K226 I227 I228 F328 L332 L338H215-L224 HydrophobicContact CB-CD1 4.12Å; L217-L224 HydrophobicContact CD2-CD2 3.62Å; P220-L224 HydrophobicContact CB-CD2 3.74Å; D221-L224 HydrophobicContact CB-CB 4.25Å; D221-L224 WeakPolarHBondContact O-CB 3.47Å; D221-L224 PolarHBondContact O-N 3.27Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 3.23Å; L224-I227 WeakPolarHBondContact O-CB 3.48Å; L224-I227 PolarHBondContact O-N 3.33Å; L224-I228 HydrophobicContact CG-CD1 4.19Å; L224-I228 WeakPolarHBondContact O-CG1 3.43Å; L224-I228 PolarHBondContact O-N 2.96Å; L224-F328 HydrophobicContact CB-CZ 4.18Å; L224-F328 HydrophobicContact CD2-CZ 4.11Å; L224-F328 HydrophobicContact CG-CZ 4.11Å; L224-L332 HydrophobicContact CD2-CD2 4.25Å; L224-L338 HydrophobicContact CD1-CD2 3.9Å; L224-L338 HydrophobicContact CG-CD2 4.42Å
225F93.5Very high89.2Confident7 Ų753.5 Ų53.53%0.03127%0.273CS..Hα-helixtrans-60.2-42.4177.1-170.7-98000112.3H223 I228 Q229 A269 D270 Q271 Q280 L281 F328H223-F225 VanDerWaalsContact C-N 3.25Å; H223-F225 PolarHBondContact O-N 2.67Å; H223-F225 VanDerWaalsContact O-N 3.15Å; F225-I228 WeakPolarHBondContact O-CB 3.25Å; F225-I228 PolarHBondContact O-N 2.83Å; F225-Q229 HydrophobicContact CD1-CG 4.27Å; F225-Q229 VanDerWaalsContact CE1-CD 3.42Å; F225-Q229 HydrophobicContact CE1-CG 3.95Å; F225-Q229 HydrophobicContact CZ-CG 4.43Å; F225-Q229 WeakPolarHBondContact O-CG 3.49Å; F225-Q229 PolarHBondContact O-N 2.81Å; F225-A269 HydrophobicContact CE2-CB 4.04Å; F225-A269 HydrophobicContact CZ-CB 4.07Å; F225-D270 WeakPolarHBondContact CZ-O 3.34Å; F225-Q271 HydrophobicContact CE1-CG 3.73Å; F225-Q271 HydrophobicContact CZ-CG 4.17Å; F225-Q280 HydrophobicContact CD1-CB 4.44Å; F225-Q280 HydrophobicContact CD1-CG 3.96Å; F225-Q280 HydrophobicContact CD2-CB 4.03Å; F225-Q280 HydrophobicContact CD2-CG 4.37Å; F225-Q280 HydrophobicContact CE1-CB 4.2Å; F225-Q280 HydrophobicContact CE1-CG 3.89Å; F225-Q280 HydrophobicContact CE2-CB 3.76Å; F225-Q280 HydrophobicContact CE2-CG 4.31Å; F225-Q280 HydrophobicContact CG-CB 4.36Å; F225-Q280 HydrophobicContact CG-CG 4.2Å; F225-Q280 HydrophobicContact CZ-CB 3.85Å; F225-Q280 HydrophobicContact CZ-CG 4.07Å; F225-L281 WeakPolarHBondContact CE2-O 3.4Å; F225-F328 HydrophobicContact CB-CD1 4.12Å; F225-F328 HydrophobicContact CB-CE1 3.84Å; F225-F328 HydrophobicContact CB-CZ 4.06Å; F225-F328 HydrophobicContact CD2-CB 4.05Å; F225-F328 AromaticContact CD2-CD1 3.97Å; F225-F328 HydrophobicContact CD2-CD1 3.97Å; F225-F328 AromaticContact CD2-CD2 3.7Å; F225-F328 HydrophobicContact CD2-CD2 3.7Å; F225-F328 HydrophobicContact CD2-CE1 4.33Å; F225-F328 HydrophobicContact CD2-CE2 4.09Å; F225-F328 AromaticContact CD2-CG 3.63Å; F225-F328 HydrophobicContact CD2-CG 3.63Å; F225-F328 HydrophobicContact CD2-CZ 4.39Å; F225-F328 HydrophobicContact CE2-CB 4.29Å; F225-F328 HydrophobicContact CE2-CD2 4.37Å; F225-F328 HydrophobicContact CE2-CG 4.31Å; F225-F328 HydrophobicContact CG-CD1 4.42Å
226K88.6Confident89.1Confident61 Ų6152.6 Ų52.627%0.26527%0.269SS..Hα-helixtrans-65.9-40.2174.9-96.4-179.4165.2-1760111.7H223 L224 I228 Q229 K230 D397 N399 D400H223-K226 WeakPolarHBondContact O-CA 3.45Å; H223-K226 WeakPolarHBondContact O-CB 3.31Å; H223-K226 PolarHBondContact O-N 3.47Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 3.23Å; K226-I228 VanDerWaalsContact C-N 3.31Å; K226-I228 PolarHBondContact O-N 2.74Å; K226-Q229 PolarHBondContact O-N 2.56Å; K226-K230 PolarHBondContact O-N 3.07Å; K226-D397 IonicContact NZ-OD2 3.42Å; K226-N399 PolarHBondContact NZ-O 3.37Å; K226-D400 WeakPolarHBondContact CD-OD1 3.42Å; K226-D400 IonicContact NZ-OD1 3.46Å; K226-D400 PolarHBondContact NZ-OD1 3.35Å
227I90.9Very high89Confident18 Ų1848 Ų489%0.09225%0.248CC..Hα-helixtrans-57.9-46.4175.3-64.5172000109.8D221 H223 L224 Q229 K230 A231 I340D221-I227 HydrophobicContact CB-CD1 4.47Å; H223-I227 PolarHBondContact O-N 3.38Å; L224-I227 WeakPolarHBondContact O-CB 3.48Å; L224-I227 PolarHBondContact O-N 3.33Å; I227-Q229 PolarHBondContact O-N 3.39Å; I227-K230 PolarHBondContact O-N 3.22Å; I227-A231 VanDerWaalsContact O-CB 3.3Å; I227-A231 WeakPolarHBondContact O-CB 3.48Å; I227-A231 PolarHBondContact O-N 3.31Å; I227-I340 HydrophobicContact CG2-CD1 3.84Å
228I93.3Very high88.8Confident0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-59.1-47.5175.6-68165.8000111L224 F225 K226 K230 A231 L232 L238 V266 A269 I282 F328 L338L224-I228 HydrophobicContact CG-CD1 4.19Å; L224-I228 WeakPolarHBondContact O-CG1 3.43Å; L224-I228 PolarHBondContact O-N 2.96Å; F225-I228 WeakPolarHBondContact O-CB 3.25Å; F225-I228 PolarHBondContact O-N 2.83Å; K226-I228 VanDerWaalsContact C-N 3.31Å; K226-I228 PolarHBondContact O-N 2.74Å; I228-K230 PolarHBondContact O-N 2.69Å; I228-A231 PolarHBondContact O-N 3.2Å; I228-L232 HydrophobicContact CG2-CD1 3.85Å; I228-L232 HydrophobicContact CG2-CG 4.45Å; I228-L232 WeakPolarHBondContact O-CG 3.42Å; I228-L232 PolarHBondContact O-N 2.96Å; I228-L238 HydrophobicContact CB-CD2 4.29Å; I228-L238 HydrophobicContact CG1-CD2 4.3Å; I228-L238 HydrophobicContact CG2-CD2 3.73Å; I228-V266 HydrophobicContact CG2-CG1 4.24Å; I228-A269 HydrophobicContact CG2-CB 3.59Å; I228-I282 HydrophobicContact CD1-CD1 4.02Å; I228-F328 HydrophobicContact CD1-CE2 3.77Å; I228-F328 HydrophobicContact CD1-CZ 4.35Å; I228-L338 HydrophobicContact CD1-CD2 3.7Å; I228-L338 HydrophobicContact CG1-CD2 3.66Å
229Q90.6Very high88.6Confident40 Ų4044 Ų4419%0.18722%0.216CC..Hα-helixtrans-61.4-44.3178.6-71.9-173-58.200112.4F225 K226 I227 K233 A269F225-Q229 HydrophobicContact CD1-CG 4.27Å; F225-Q229 VanDerWaalsContact CE1-CD 3.42Å; F225-Q229 HydrophobicContact CE1-CG 3.95Å; F225-Q229 HydrophobicContact CZ-CG 4.43Å; F225-Q229 WeakPolarHBondContact O-CG 3.49Å; F225-Q229 PolarHBondContact O-N 2.81Å; K226-Q229 PolarHBondContact O-N 2.56Å; I227-Q229 PolarHBondContact O-N 3.39Å; Q229-K233 WeakPolarHBondContact O-CB 3.42Å; Q229-K233 VanDerWaalsContact O-CG 3.28Å; Q229-K233 WeakPolarHBondContact O-CG 3.29Å; Q229-K233 PolarHBondContact O-N 3.39Å; Q229-A269 HydrophobicContact CG-CB 3.83Å; Q229-A269 PolarHBondContact NE2-O 2.67Å
230K87.8Confident88.6Confident44 Ų4434 Ų3419%0.19118%0.179CC..Hα-helixtrans-62.3-44.1175.4-77.8-169171.5-162.10111K226 I227 I228 K233 R234 E505K226-K230 PolarHBondContact O-N 3.07Å; I227-K230 PolarHBondContact O-N 3.22Å; I228-K230 PolarHBondContact O-N 2.69Å; K230-K233 PolarHBondContact O-N 3.27Å; K230-R234 WeakPolarHBondContact O-CB 3.01Å; K230-R234 VanDerWaalsContact O-CG 3.25Å; K230-R234 WeakPolarHBondContact O-CG 3.48Å; K230-R234 PolarHBondContact O-N 2.91Å; K230-E505 IonicContact NZ-OE1 2.62Å; K230-E505 PolarHBondContact NZ-OE1 2.85Å; K230-E505 VanDerWaalsContact NZ-OE1 3.1Å; K230-E505 IonicContact NZ-OE2 2.82Å; K230-E505 PolarHBondContact NZ-OE2 3.44Å
231A89.5Confident88.6Confident3 Ų332.8 Ų32.83%0.02517%0.171CC..Hα-helixtrans-60.8-48.4178.900000111.6I227 I228 K233 R234 G235 S236 L238 I340I227-A231 VanDerWaalsContact O-CB 3.3Å; I227-A231 WeakPolarHBondContact O-CB 3.48Å; I227-A231 PolarHBondContact O-N 3.31Å; I228-A231 PolarHBondContact O-N 3.2Å; A231-K233 PolarHBondContact O-N 3.16Å; A231-R234 CarbonylContact O-C 3.24Å; A231-R234 PolarHBondContact O-N 3.27Å; A231-G235 PolarHBondContact O-N 2.96Å; A231-S236 VanDerWaalsContact O-CB 3.25Å; A231-S236 WeakPolarHBondContact O-CB 3.35Å; A231-S236 PolarHBondContact O-N 2.98Å; A231-S236 PolarHBondContact O-OG 3.36Å; A231-L238 HydrophobicContact CB-CD1 3.98Å; A231-L238 HydrophobicContact CB-CD2 4.42Å; A231-I340 HydrophobicContact CB-CD1 4.49Å; A231-I340 HydrophobicContact CB-CG2 3.62Å
232L86.6Confident88.8Confident43 Ų4330 Ų3023%0.22516%0.156CC..Hα-helixtrans-60.5-42.5176-70.9167.3000112.2I228 R234 G235 L238 A269I228-L232 HydrophobicContact CG2-CD1 3.85Å; I228-L232 HydrophobicContact CG2-CG 4.45Å; I228-L232 WeakPolarHBondContact O-CG 3.42Å; I228-L232 PolarHBondContact O-N 2.96Å; L232-R234 PolarHBondContact O-N 3.39Å; L232-G235 PolarHBondContact O-N 3.18Å; L232-L238 HydrophobicContact CD2-CD1 3.97Å; L232-L238 HydrophobicContact CD2-CD2 4.36Å; L232-L238 HydrophobicContact CG-CD1 4.24Å; L232-L238 HydrophobicContact CG-CD2 4.17Å; L232-A269 HydrophobicContact CD1-CB 3.78Å
233K83.9Confident88.7Confident143 Ų14327.4 Ų27.462%0.62214%0.136SC*.Hα-helixtrans-65.4-18.5175-75.1177.4-179.5-178.50114.1Q229 K230 A231 Y353Q229-K233 WeakPolarHBondContact O-CB 3.42Å; Q229-K233 VanDerWaalsContact O-CG 3.28Å; Q229-K233 WeakPolarHBondContact O-CG 3.29Å; Q229-K233 PolarHBondContact O-N 3.39Å; K230-K233 PolarHBondContact O-N 3.27Å; A231-K233 PolarHBondContact O-N 3.16Å; K233-Y353 WeakPolarHBondContact O-CD1 3.49Å
234R84.8Confident88.3Confident10 Ų1027.5 Ų27.54%0.03814%0.138CC..THydrogen-bonded Turntrans-97.84.5175.5-68.2179.4172.8-116.2-6.2112.5K230 A231 L232 S236 L348 Q354 K355 E505K230-R234 WeakPolarHBondContact O-CB 3.01Å; K230-R234 VanDerWaalsContact O-CG 3.25Å; K230-R234 WeakPolarHBondContact O-CG 3.48Å; K230-R234 PolarHBondContact O-N 2.91Å; A231-R234 CarbonylContact O-C 3.24Å; A231-R234 PolarHBondContact O-N 3.27Å; L232-R234 PolarHBondContact O-N 3.39Å; R234-S236 PolarHBondContact O-N 3.25Å; R234-L348 VanDerWaalsContact O-CD1 3.24Å; R234-L348 WeakPolarHBondContact O-CD1 3.34Å; R234-Q354 HydrophobicContact CG-CB 3.98Å; R234-Q354 WeakPolarHBondContact CG-O 3.32Å; R234-K355 PolarHBondContact NH1-O 3.14Å; R234-E505 VanDerWaalsContact NH2-CG 3.26Å; R234-E505 IonicContact NH2-OE1 3.35Å; R234-E505 PolarHBondContact NH2-OE1 3.07Å
235G84.4Confident87.6Confident9 Ų933.5 Ų33.59%0.09317%0.174CC..THydrogen-bonded Turntrans72.212.7-178.600000114.3A231 L232 L343A231-G235 PolarHBondContact O-N 2.96Å; L232-G235 PolarHBondContact O-N 3.18Å; G235-L343 WeakPolarHBondContact O-CD1 3.33Å
236S88.8Confident86.7Confident8 Ų835.7 Ų35.76%0.05619%0.191CC..  trans-55.9148175.5-59.60000111A231 R234 L238 C341 N342A231-S236 VanDerWaalsContact O-CB 3.25Å; A231-S236 WeakPolarHBondContact O-CB 3.35Å; A231-S236 PolarHBondContact O-N 2.98Å; A231-S236 PolarHBondContact O-OG 3.36Å; R234-S236 PolarHBondContact O-N 3.25Å; S236-L238 WeakPolarHBondContact O-CD1 3.3Å; S236-C341 CarbonylContact C-O 3.58Å; S236-C341 VanDerWaalsContact CA-O 3.23Å; S236-C341 WeakPolarHBondContact CA-O 3.44Å; S236-C341 WeakPolarHBondContact CB-O 3.43Å; S236-N342 PolarHBondContact OG-OD1 2.84Å
237L89.1Confident85.6Confident7 Ų737.1 Ų37.14%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-89.4128.2173-55.6-179000109.2N117 F204 T208 C341 L343N117-L237 HydrophobicContact CB-CD2 4.29Å; F204-L237 HydrophobicContact CD1-CB 4.08Å; F204-L237 HydrophobicContact CD1-CD1 3.89Å; F204-L237 HydrophobicContact CE1-CB 3.78Å; F204-L237 HydrophobicContact CE1-CD1 4.02Å; F204-L237 HydrophobicContact CZ-CB 4.28Å; T208-L237 HydrophobicContact CG2-CD1 3.73Å; L237-C341 HydrophobicContact CB-CB 4.31Å; L237-C341 PolarHBondContact N-O 3.44Å; L237-C341 PolarHBondContact O-N 2.93Å; L237-L343 HydrophobicContact CG-CD2 4.36Å
238L88.9Confident84.5Confident4 Ų440.6 Ų40.62%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-119.6128.5-177.7-72.774.3000110.4I228 A231 L232 S236 S265 V266 E339 I340I228-L238 HydrophobicContact CB-CD2 4.29Å; I228-L238 HydrophobicContact CG1-CD2 4.3Å; I228-L238 HydrophobicContact CG2-CD2 3.73Å; A231-L238 HydrophobicContact CB-CD1 3.98Å; A231-L238 HydrophobicContact CB-CD2 4.42Å; L232-L238 HydrophobicContact CD2-CD1 3.97Å; L232-L238 HydrophobicContact CD2-CD2 4.36Å; L232-L238 HydrophobicContact CG-CD1 4.24Å; L232-L238 HydrophobicContact CG-CD2 4.17Å; S236-L238 WeakPolarHBondContact O-CD1 3.3Å; L238-S265 WeakPolarHBondContact O-CA 3.43Å; L238-V266 HydrophobicContact CB-CB 3.67Å; L238-V266 HydrophobicContact CB-CG2 4.22Å; L238-V266 HydrophobicContact CD2-CB 4.16Å; L238-V266 HydrophobicContact CD2-CG1 4.18Å; L238-V266 PolarHBondContact O-N 3.41Å; L238-E339 CarbonylContact C-O 3.47Å; L238-E339 WeakPolarHBondContact CA-O 3.38Å; L238-I340 HydrophobicContact CD1-CG2 4.26Å; L238-I340 HydrophobicContact CD2-CG1 4.35Å; L238-I340 HydrophobicContact CG-CB 4.46Å; L238-I340 HydrophobicContact CG-CG1 4.11Å; L238-I340 HydrophobicContact CG-CG2 4.16Å
239G88.4Confident83.5Confident4 Ų442.6 Ų42.64%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-120152.9174.100000111.7Y264 L338 E339G239-Y264 CarbonylContact C-O 3.48Å; G239-Y264 WeakPolarHBondContact CA-O 3.34Å; G239-L338 CarbonylContact O-C 3.22Å; G239-L338 WeakPolarHBondContact O-CA 3.33Å; G239-L338 WeakPolarHBondContact O-CD1 3.29Å; G239-E339 PolarHBondContact N-O 3.07Å; G239-E339 PolarHBondContact O-N 3.26Å
240C89.6Confident82.4Confident4 Ų443.6 Ų43.63%0.02727%0.268CS..EExtended strand (participates in β ladder)trans-143.1155.4171.560.40000111.4Y264 V266 F331 Y335 R337 L338C240-Y264 PolarHBondContact N-O 3.12Å; C240-Y264 PolarHBondContact O-N 3.35Å; C240-V266 HydrophobicContact CB-CG2 4.31Å; C240-F331 HydrophobicContact CB-CE2 3.87Å; C240-F331 HydrophobicContact CB-CZ 3.98Å; C240-Y335 HydrophobicContact CB-CD1 4.01Å; C240-Y335 HydrophobicContact CB-CE1 4.46Å; C240-R337 WeakPolarHBondContact CA-O 3.49Å; C240-R337 VanDerWaalsContact CB-O 3.29Å; C240-R337 WeakPolarHBondContact CB-O 3.25Å; C240-L338 HydrophobicContact CB-CD1 4.31Å
241S88Confident81.5Confident23 Ų2345.5 Ų45.516%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-146.2162-178.270.90000112.7H262 S336 R337S241-H262 WeakPolarHBondContact CB-O 3.34Å; S241-S336 PolarHBondContact O-N 3.35Å; S241-R337 PolarHBondContact N-O 2.86Å; S241-R337 PolarHBondContact O-N 2.98Å
242I89.8Confident81.1Confident12 Ų1247 Ų476%0.06229%0.289CS..  trans-111.7122.8175.7-51.6175.5000108.1L258 K260 G261 Y335I242-L258 HydrophobicContact CD1-CB 3.71Å; I242-L258 HydrophobicContact CD1-CD1 4.15Å; I242-K260 HydrophobicContact CG2-CB 4.47Å; I242-K260 HydrophobicContact CG2-CG 3.95Å; I242-G261 PolarHBondContact O-N 3.12Å; I242-Y335 HydrophobicContact CD1-CD1 4.36Å; I242-Y335 HydrophobicContact CD1-CE1 4.21Å; I242-Y335 HydrophobicContact CG1-CD1 3.66Å; I242-Y335 HydrophobicContact CG1-CE1 3.9Å; I242-Y335 HydrophobicContact CG1-CG 4.17Å
243D85.2Confident81Confident66 Ų6649.7 Ų49.735%0.35330%0.303SS..  trans-67.6145.3-179.2-77.7-4.9000111.4S336 R337D243-S336 PolarHBondContact N-OG 3.47Å; D243-R337 IonicContact OD1-CZ 2.75Å; D243-R337 IonicContact OD1-NE 3.77Å; D243-R337 PolarHBondContact OD1-NE 2.81Å; D243-R337 IonicContact OD1-NH1 3.33Å; D243-R337 IonicContact OD1-NH2 3.36Å; D243-R337 PolarHBondContact OD1-NH2 3.48Å; D243-R337 IonicContact OD2-CZ 3.48Å; D243-R337 IonicContact OD2-NE 3.67Å; D243-R337 PolarHBondContact OD2-NE 3.38Å; D243-R337 IonicContact OD2-NH2 2.63Å; D243-R337 PolarHBondContact OD2-NH2 2.9Å
244I80.4Confident81.2Confident71 Ų7144.4 Ų44.436%0.36428%0.283SS..  trans-95142.6174.557.6174.5000110.8D249 K260 G261I244-D249 HydrophobicContact CB-CB 4.12Å; I244-D249 HydrophobicContact CG2-CB 4.16Å; I244-D249 WeakPolarHBondContact CG2-O 3.29Å; I244-K260 HydrophobicContact CG2-CB 4.02Å; I244-G261 VanDerWaalsContact CG2-CA 3.44Å
245T78.1Confident81.4Confident126 Ų12651.5 Ų51.577%0.77332%0.316SS*.SBendtrans-87.8-22.217637.70000112.9D249T245-D249 PolarHBondContact OG1-OD2 2.89Å
246S74.8Confident81.7Confident53 Ų5354.6 Ų54.637%0.37133%0.325SS..SBendtrans-151.6159.5176.1730000110.3A248 D249S246-A248 PolarHBondContact O-N 2.81Å; S246-A248 VanDerWaalsContact O-N 3.15Å; S246-D249 PolarHBondContact N-OD2 2.59Å; S246-D249 WeakPolarHBondContact O-CB 3.26Å; S246-D249 PolarHBondContact O-N 3.49Å; S246-D249 VanDerWaalsContact OG-CG 3.27Å; S246-D249 PolarHBondContact OG-OD2 3.45Å
247A65.9Low81.8Confident92 Ų9258.9 Ų58.976%0.7634%0.343SS*.G310 helixtrans-60.1-24.6176.900000113.2D249 S250A247-D249 PolarHBondContact O-N 2.79Å; A247-S250 WeakPolarHBondContact O-CB 3.31Å; A247-S250 PolarHBondContact O-N 3.12Å
248A67Low81.9Confident91 Ų9158.6 Ų58.675%0.75234%0.341SS*.G310 helixtrans-73.5-15.6175.500000113.2S246 S250S246-A248 PolarHBondContact O-N 2.81Å; S246-A248 VanDerWaalsContact O-N 3.15Å; A248-S250 VanDerWaalsContact C-N 3.32Å
249D71.6Confident81.6Confident42 Ų4258.4 Ų58.423%0.22534%0.34CS..G310 helixtrans-88.70.2177.3-58.2-51000112.7I244 T245 S246 A247 E251 A252I244-D249 HydrophobicContact CB-CB 4.12Å; I244-D249 HydrophobicContact CG2-CB 4.16Å; I244-D249 WeakPolarHBondContact CG2-O 3.29Å; T245-D249 PolarHBondContact OG1-OD2 2.89Å; S246-D249 PolarHBondContact N-OD2 2.59Å; S246-D249 WeakPolarHBondContact O-CB 3.26Å; S246-D249 PolarHBondContact O-N 3.49Å; S246-D249 VanDerWaalsContact OG-CG 3.27Å; S246-D249 PolarHBondContact OG-OD2 3.45Å; A247-D249 PolarHBondContact O-N 2.79Å; D249-E251 PolarHBondContact O-N 3.42Å; D249-A252 VanDerWaalsContact O-CB 3.26Å; D249-A252 WeakPolarHBondContact O-CB 3.41Å; D249-A252 PolarHBondContact O-N 2.99Å; D249-A252 VanDerWaalsContact O-N 3.17Å
250S68.9Low81.5Confident61 Ų6161.2 Ų61.243%0.42735%0.351SS..THydrogen-bonded Turntrans-61.9129.2174.7-162.80000110A247 A248 A252A247-S250 WeakPolarHBondContact O-CB 3.31Å; A247-S250 PolarHBondContact O-N 3.12Å; A248-S250 VanDerWaalsContact C-N 3.32Å; S250-A252 PolarHBondContact O-N 2.78Å; S250-A252 VanDerWaalsContact O-N 3.14Å
251E68.8Low80.8Confident83 Ų8362.1 Ų62.139%0.38836%0.362SS..THydrogen-bonded Turntrans58.617.2-175.5-61.4174.7-162.900114.8Q99 D249 I253 V259 K260Q99-E251 PolarHBondContact OE1-OE1 3.18Å; D249-E251 PolarHBondContact O-N 3.42Å; E251-I253 PolarHBondContact O-N 2.64Å; E251-V259 HydrophobicContact CB-CG1 4.31Å; E251-K260 VanDerWaalsContact CA-O 3.23Å; E251-K260 WeakPolarHBondContact CA-O 3.05Å; E251-K260 PolarHBondContact N-O 3.32Å
252A79.9Confident80.3Confident34 Ų3461.7 Ų61.728%0.28136%0.357SS..PPolyproline II helixtrans-70125.8177.100000111.2D249 S250 K260D249-A252 VanDerWaalsContact O-CB 3.26Å; D249-A252 WeakPolarHBondContact O-CB 3.41Å; D249-A252 PolarHBondContact O-N 2.99Å; D249-A252 VanDerWaalsContact O-N 3.17Å; S250-A252 PolarHBondContact O-N 2.78Å; S250-A252 VanDerWaalsContact O-N 3.14Å; A252-K260 PolarHBondContact O-N 3.05Å
253I85.4Confident79.8Confident100 Ų10061.8 Ų61.851%0.51336%0.36SS..BIsolated β-bridgetrans-80.8124.2176.4-54.6174.3000109.6E251 L258 V259E251-I253 PolarHBondContact O-N 2.64Å; I253-L258 CarbonylContact C-O 3.53Å; I253-V259 HydrophobicContact CG1-CG2 4.32Å
254T88.3Confident79.6Confident33 Ų3358.8 Ų58.820%0.20234%0.343CS..PPolyproline II helixtrans-75.6166.9176.465.60000112.2R256 K257 L258 K260T254-R256 PolarHBondContact O-N 3.27Å; T254-R256 VanDerWaalsContact O-N 3.08Å; T254-K257 PolarHBondContact O-N 2.89Å; T254-L258 WeakPolarHBondContact CB-O 3.26Å; T254-L258 WeakPolarHBondContact CG2-O 3.37Å; T254-L258 PolarHBondContact N-O 3.45Å; T254-L258 PolarHBondContact OG1-N 3.02Å; T254-L258 PolarHBondContact OG1-O 3.1Å; T254-K260 HydrophobicContact CG2-CD 4.37Å; T254-K260 HydrophobicContact CG2-CG 3.92Å
255H89.1Confident79.8Confident158 Ų15855.6 Ų55.673%0.73133%0.327SS*.THydrogen-bonded Turntrans-60-18.9175.375-75.8000114.6
256R90.2Very high80.4Confident74 Ų7449.8 Ų49.828%0.27929%0.292SS..THydrogen-bonded Turntrans-101.317.1175.5-58.4-173172.7-170.3-17.6113.1T254 L258 W293 T294 E334T254-R256 PolarHBondContact O-N 3.27Å; T254-R256 VanDerWaalsContact O-N 3.08Å; R256-L258 PolarHBondContact O-N 3.1Å; R256-W293 HydrophobicContact CB-CE3 3.79Å; R256-W293 HydrophobicContact CB-CH2 4.46Å; R256-W293 HydrophobicContact CB-CZ3 3.56Å; R256-W293 VanDerWaalsContact CD-CH2 3.44Å; R256-W293 HydrophobicContact CG-CZ3 4.06Å; R256-T294 PolarHBondContact O-N 3.03Å; R256-E334 IonicContact CZ-OE1 2.64Å; R256-E334 IonicContact NH1-OE1 3.15Å; R256-E334 PolarHBondContact NH1-OE1 2.83Å
257K90.4Very high80.9Confident98 Ų9848.4 Ų48.443%0.42628%0.281SS..SBendtrans60.723.4-179.3-62.2-167.6-176.5178.30115.5T254 V291 E292 T294T254-K257 PolarHBondContact O-N 2.89Å; K257-V291 HydrophobicContact CB-CG1 4.04Å; K257-V291 WeakPolarHBondContact O-CG1 3.42Å; K257-E292 VanDerWaalsContact CB-O 3.22Å; K257-E292 WeakPolarHBondContact CB-O 3.49Å; K257-T294 HydrophobicContact CB-CG2 4.29Å; K257-T294 HydrophobicContact CD-CG2 3.61Å; K257-T294 HydrophobicContact CG-CG2 3.85Å
258L90.3Very high82.1Confident1 Ų144.4 Ų44.41%0.00525%0.249CC..PPolyproline II helixtrans-86.5147.1165-58.4177.7000110.5I242 I253 T254 R256 W293 F324 E334 Y335I242-L258 HydrophobicContact CD1-CB 3.71Å; I242-L258 HydrophobicContact CD1-CD1 4.15Å; I253-L258 CarbonylContact C-O 3.53Å; T254-L258 WeakPolarHBondContact CB-O 3.26Å; T254-L258 WeakPolarHBondContact CG2-O 3.37Å; T254-L258 PolarHBondContact N-O 3.45Å; T254-L258 PolarHBondContact OG1-N 3.02Å; T254-L258 PolarHBondContact OG1-O 3.1Å; R256-L258 PolarHBondContact O-N 3.1Å; L258-W293 HydrophobicContact CD1-CE3 3.85Å; L258-W293 HydrophobicContact CD1-CZ3 3.78Å; L258-W293 HydrophobicContact CD2-CB 4.46Å; L258-W293 HydrophobicContact CD2-CE3 4.11Å; L258-W293 HydrophobicContact CG-CE3 3.9Å; L258-W293 HydrophobicContact CG-CZ3 4.26Å; L258-F324 HydrophobicContact CD2-CE2 4.19Å; L258-F324 HydrophobicContact CD2-CZ 3.71Å; L258-E334 HydrophobicContact CD1-CB 3.65Å; L258-E334 HydrophobicContact CD1-CG 4.06Å; L258-Y335 HydrophobicContact CD1-CE2 4.21Å
259V84.4Confident83.3Confident0 Ų040.7 Ų40.70%022%0.218CC..BIsolated β-bridgetrans-103.8126-176.8-173.30000109.1E251 I253 H262 Y264 W288E251-V259 HydrophobicContact CB-CG1 4.31Å; I253-V259 HydrophobicContact CG1-CG2 4.32Å; V259-H262 HydrophobicContact CB-CB 3.9Å; V259-H262 HydrophobicContact CG1-CB 3.59Å; V259-Y264 HydrophobicContact CB-CE2 4.4Å; V259-Y264 VanDerWaalsContact CB-OH 3.3Å; V259-Y264 WeakPolarHBondContact CB-OH 3.33Å; V259-Y264 WeakPolarHBondContact CG2-OH 3.49Å; V259-Y264 PolarHBondContact N-OH 3.09Å; V259-W288 HydrophobicContact CG1-CH2 3.8Å; V259-W288 HydrophobicContact CG1-CZ2 4.36Å; V259-W288 HydrophobicContact CG1-CZ3 4.31Å; V259-W288 HydrophobicContact CG2-CE3 4.21Å; V259-W288 HydrophobicContact CG2-CH2 3.96Å; V259-W288 HydrophobicContact CG2-CZ3 3.6Å
260K84.6Confident84.4Confident63 Ų6340.7 Ų40.727%0.27422%0.218SC..THydrogen-bonded Turntrans-84152.5177.4-61.9-171.1178.3-176.90112.1I242 I244 E251 A252 T254 H262I242-K260 HydrophobicContact CG2-CB 4.47Å; I242-K260 HydrophobicContact CG2-CG 3.95Å; I244-K260 HydrophobicContact CG2-CB 4.02Å; E251-K260 VanDerWaalsContact CA-O 3.23Å; E251-K260 WeakPolarHBondContact CA-O 3.05Å; E251-K260 PolarHBondContact N-O 3.32Å; A252-K260 PolarHBondContact O-N 3.05Å; T254-K260 HydrophobicContact CG2-CD 4.37Å; T254-K260 HydrophobicContact CG2-CG 3.92Å; K260-H262 PolarHBondContact O-N 3.02Å
261G76.6Confident85.5Confident24 Ų2441.1 Ų41.125%0.24721%0.213CC..THydrogen-bonded Turntrans64.919179.800000113.3I242 I244I242-G261 PolarHBondContact O-N 3.12Å; I244-G261 VanDerWaalsContact CG2-CA 3.44Å
262H77Confident86.7Confident14 Ų1437.2 Ų37.27%0.06520%0.195CC..  trans-123.5149.7-175.2-177.559000109.2S241 V259 K260 Y264 N286 P287 W288S241-H262 WeakPolarHBondContact CB-O 3.34Å; V259-H262 HydrophobicContact CB-CB 3.9Å; V259-H262 HydrophobicContact CG1-CB 3.59Å; K260-H262 PolarHBondContact O-N 3.02Å; H262-Y264 HydrophobicContact CB-CE2 4.36Å; H262-Y264 AromaticContact CD2-CE2 3.59Å; H262-Y264 AromaticContact CD2-CZ 3.86Å; H262-N286 PolarHBondContact NE2-OD1 3.24Å; H262-P287 VanDerWaalsContact CE1-CG 3.46Å; H262-P287 WeakPolarHBondContact CE1-CG 3.31Å; H262-P287 WeakPolarHBondContact NE2-CD 3.16Å; H262-P287 VanDerWaalsContact NE2-CG 3.3Å; H262-P287 WeakPolarHBondContact NE2-CG 3.14Å; H262-W288 AromaticContact CE1-CE2 3.95Å; H262-W288 AromaticContact CE1-NE1 3.56Å
263A78Confident87.3Confident14 Ų1441.4 Ų41.412%0.11621%0.209CC..EExtended strand (participates in β ladder)trans-103.8138.9-179.500000110.8A109 P287A109-A263 HydrophobicContact CB-CB 3.27Å; A263-P287 WeakPolarHBondContact O-CD 3.38Å; A263-P287 VanDerWaalsContact O-CG 3.25Å; A263-P287 WeakPolarHBondContact O-CG 3.48Å
264Y82.7Confident87.5Confident3 Ų339 Ų391%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-119.6159.1-179.6-72.1-101.3000109.1G239 C240 V259 H262 I284 N286 F324 Y335G239-Y264 CarbonylContact C-O 3.48Å; G239-Y264 WeakPolarHBondContact CA-O 3.34Å; C240-Y264 PolarHBondContact N-O 3.12Å; C240-Y264 PolarHBondContact O-N 3.35Å; V259-Y264 HydrophobicContact CB-CE2 4.4Å; V259-Y264 VanDerWaalsContact CB-OH 3.3Å; V259-Y264 WeakPolarHBondContact CB-OH 3.33Å; V259-Y264 WeakPolarHBondContact CG2-OH 3.49Å; V259-Y264 PolarHBondContact N-OH 3.09Å; H262-Y264 HydrophobicContact CB-CE2 4.36Å; H262-Y264 AromaticContact CD2-CE2 3.59Å; H262-Y264 AromaticContact CD2-CZ 3.86Å; Y264-I284 HydrophobicContact CD1-CG2 3.76Å; Y264-I284 HydrophobicContact CG-CG2 4.06Å; Y264-N286 HydrophobicContact CD1-CB 3.97Å; Y264-N286 HydrophobicContact CE1-CB 3.57Å; Y264-F324 HydrophobicContact CE1-CE1 4.48Å; Y264-F324 HydrophobicContact CE1-CZ 4.36Å; Y264-Y335 AromaticContact CD2-CE1 3.72Å; Y264-Y335 HydrophobicContact CD2-CE1 3.72Å; Y264-Y335 HydrophobicContact CE2-CE1 4.24Å; Y264-Y335 AromaticContact CG-CE1 3.99Å; Y264-Y335 HydrophobicContact CG-CE1 3.99Å
265S84.1Confident87.6Confident4 Ų444.2 Ų44.23%0.02822%0.216CC..EExtended strand (participates in β ladder)trans-102.3142.7172.2-49.70000110.4S113 L238 I284 R285S113-S265 PolarHBondContact OG-OG 3.38Å; L238-S265 WeakPolarHBondContact O-CA 3.43Å; S265-I284 CarbonylContact O-C 3.48Å; S265-I284 WeakPolarHBondContact O-CA 3.37Å; S265-R285 PolarHBondContact N-O 3.33Å; S265-R285 PolarHBondContact O-N 3.35Å
266V89.8Confident87.5Confident4 Ų439.3 Ų39.32%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-94.7120.8167-177.20000108.1I228 L238 C240 I282 R283 I284 L338I228-V266 HydrophobicContact CG2-CG1 4.24Å; L238-V266 HydrophobicContact CB-CB 3.67Å; L238-V266 HydrophobicContact CB-CG2 4.22Å; L238-V266 HydrophobicContact CD2-CB 4.16Å; L238-V266 HydrophobicContact CD2-CG1 4.18Å; L238-V266 PolarHBondContact O-N 3.41Å; C240-V266 HydrophobicContact CB-CG2 4.31Å; V266-I282 HydrophobicContact CG1-CD1 3.75Å; V266-I282 HydrophobicContact CG1-CG1 3.69Å; V266-I282 HydrophobicContact CG2-CD1 4.34Å; V266-R283 WeakPolarHBondContact CA-O 3.12Å; V266-I284 HydrophobicContact CB-CD1 4.37Å; V266-I284 HydrophobicContact CG1-CD1 4.38Å; V266-I284 HydrophobicContact CG2-CD1 3.75Å; V266-L338 HydrophobicContact CG2-CD1 3.67Å
267T86.7Confident87.5Confident23 Ų2341.4 Ų41.414%0.14123%0.225CC..EExtended strand (participates in β ladder)trans-117.7-0.6-171.7610000113.5L116 R283 R285 E323L116-T267 HydrophobicContact CD1-CG2 3.93Å; L116-T267 HydrophobicContact CD2-CG2 4.33Å; T267-R283 PolarHBondContact N-O 3.48Å; T267-R283 PolarHBondContact O-NH2 3.03Å; T267-R283 WeakPolarHBondContact OG1-CG 3.5Å; T267-R283 PolarHBondContact OG1-NE 3.4Å; T267-R285 HydrophobicContact CG2-CB 3.87Å; T267-R285 HydrophobicContact CG2-CG 4.28Å; T267-E323 WeakPolarHBondContact CB-OE1 3.36Å; T267-E323 PolarHBondContact OG1-OE1 3.21Å
268G89.4Confident87.6Confident9 Ų942.2 Ų42.29%0.09323%0.232CC..EExtended strand (participates in β ladder)trans-171.1149.9-178.700000112.3R283G268-R283 PolarHBondContact O-N 3.28Å
269A93.8Very high87.8Confident12 Ų1243.7 Ų43.710%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-149116.5172.200000109.5F225 I228 Q229 L232 L281F225-A269 HydrophobicContact CE2-CB 4.04Å; F225-A269 HydrophobicContact CZ-CB 4.07Å; I228-A269 HydrophobicContact CG2-CB 3.59Å; Q229-A269 HydrophobicContact CG-CB 3.83Å; Q229-A269 PolarHBondContact NE2-O 2.67Å; L232-A269 HydrophobicContact CD1-CB 3.78Å; A269-L281 WeakPolarHBondContact CA-O 3.31Å
270D93.4Very high88.4Confident43 Ų4347.4 Ų47.423%0.2326%0.258CS..EExtended strand (participates in β ladder)trans-143.5168.7-170.5-140-71.6000112.8F225 L281 R314 L315 W325F225-D270 WeakPolarHBondContact CZ-O 3.34Å; D270-L281 PolarHBondContact N-O 2.8Å; D270-L281 PolarHBondContact O-N 2.63Å; D270-L281 VanDerWaalsContact O-O 3.12Å; D270-R314 IonicContact OD1-CZ 2.68Å; D270-R314 IonicContact OD1-NH1 2.76Å; D270-R314 PolarHBondContact OD1-NH1 2.87Å; D270-R314 VanDerWaalsContact OD1-NH1 3.15Å; D270-R314 IonicContact OD1-NH2 2.78Å; D270-R314 PolarHBondContact OD1-NH2 2.62Å; D270-R314 IonicContact OD2-CZ 3.76Å; D270-R314 IonicContact OD2-NH1 3.58Å; D270-R314 PolarHBondContact OD2-NH1 2.95Å; D270-R314 IonicContact OD2-NH2 3.68Å; D270-L315 HydrophobicContact CB-CD1 4.42Å; D270-L315 HydrophobicContact CB-CD2 3.97Å; D270-W325 HydrophobicContact CB-CH2 3.95Å; D270-W325 HydrophobicContact CB-CZ3 4.12Å
271Q93.1Very high88.9Confident70 Ų7044.4 Ų44.433%0.32725%0.245SC..EExtended strand (participates in β ladder)trans-126.9135.4179.5-56.4-175.4-6.200109.6F225 M278 V279 Q280F225-Q271 HydrophobicContact CE1-CG 3.73Å; F225-Q271 HydrophobicContact CZ-CG 4.17Å; Q271-M278 HydrophobicContact CB-CE 3.53Å; Q271-V279 WeakPolarHBondContact CA-O 3.14Å; Q271-Q280 HydrophobicContact CG-CG 4.08Å
272V93.4Very high89.9Confident1 Ų143.2 Ų43.21%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-127.4146.7177.7-62.40000110.4V279 L281 W297 V307 D311 L315V272-V279 HydrophobicContact CG2-CB 4.44Å; V272-V279 PolarHBondContact N-O 2.77Å; V272-V279 PolarHBondContact O-N 3.47Å; V272-L281 HydrophobicContact CG1-CD1 4.12Å; V272-L281 HydrophobicContact CG2-CD1 3.59Å; V272-L281 HydrophobicContact CG2-CG 4.06Å; V272-W297 HydrophobicContact CG2-CH2 4.09Å; V272-W297 HydrophobicContact CG2-CZ3 4.4Å; V272-V307 HydrophobicContact CB-CG1 4.23Å; V272-V307 HydrophobicContact CG1-CG1 4.34Å; V272-V307 HydrophobicContact CG2-CG2 4.27Å; V272-D311 HydrophobicContact CG1-CB 4.11Å; V272-L315 HydrophobicContact CG1-CD1 3.27Å
273E92.8Very high90.6Very high121 Ų12145.9 Ų45.957%0.56524%0.242SC*.EExtended strand (participates in β ladder)trans-77.6121.9168.1-168.8-177.6163.300109.1M278E273-M278 HydrophobicContact CB-SD 3.9Å; E273-M278 HydrophobicContact CG-SD 4.47Å
274Y90.5Very high91.3Very high50 Ų5045.2 Ų45.220%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-132.4115.4176.7177.3-101000109.3G276 D277 V279 W297 E303 V307Y274-G276 PolarHBondContact O-N 3.46Å; Y274-D277 PolarHBondContact N-O 3.04Å; Y274-D277 PolarHBondContact O-N 2.79Å; Y274-D277 VanDerWaalsContact O-N 3.13Å; Y274-V279 HydrophobicContact CD1-CG2 4.38Å; Y274-W297 HydrophobicContact CD1-CZ2 4.25Å; Y274-W297 AromaticContact CD2-CH2 3.55Å; Y274-W297 HydrophobicContact CD2-CH2 3.55Å; Y274-W297 HydrophobicContact CD2-CZ2 4.02Å; Y274-W297 HydrophobicContact CE2-CH2 4.17Å; Y274-W297 HydrophobicContact CE2-CZ2 4.47Å; Y274-W297 AromaticContact CG-CH2 3.77Å; Y274-W297 HydrophobicContact CG-CH2 3.77Å; Y274-W297 AromaticContact CG-CZ2 3.88Å; Y274-W297 HydrophobicContact CG-CZ2 3.88Å; Y274-E303 HydrophobicContact CE2-CB 4.03Å; Y274-E303 HydrophobicContact CE2-CG 4.39Å; Y274-E303 WeakPolarHBondContact CE2-O 3.15Å; Y274-V307 HydrophobicContact CD2-CG2 4.19Å
275Q89Confident91.3Very high142 Ų14247.5 Ų47.566%0.66425%0.245SC*.THydrogen-bonded Turntrans56.830.5179.1-56.8-174.9-6.600114.6
276G87.3Confident91.1Very high56 Ų5647.3 Ų47.358%0.57724%0.244SC*.THydrogen-bonded Turntrans89.6-3.1179.300000114.7Y274Y274-G276 PolarHBondContact O-N 3.46Å
277D90.8Very high90Very high118 Ų11847.8 Ų47.863%0.63125%0.248SC*.EExtended strand (participates in β ladder)trans-109.7143.5174-67.7-42.8000110.5Y274 V279Y274-D277 PolarHBondContact N-O 3.04Å; Y274-D277 PolarHBondContact O-N 2.79Å; Y274-D277 VanDerWaalsContact O-N 3.13Å; D277-V279 PolarHBondContact O-N 3.14Å
278M92.8Very high89.2Confident114 Ų11451 Ų5156%0.56226%0.257SS*.EExtended strand (participates in β ladder)trans-80.1119.4171.1-73.2-60.2-5800110Q271 E273Q271-M278 HydrophobicContact CB-CE 3.53Å; E273-M278 HydrophobicContact CB-SD 3.9Å; E273-M278 HydrophobicContact CG-SD 4.47Å
279V94.2Very high88.1Confident32 Ų3251.3 Ų51.319%0.19426%0.261CS..EExtended strand (participates in β ladder)trans-106.5128.1180-178.80000109.7Q271 V272 Y274 D277 L281 W297Q271-V279 WeakPolarHBondContact CA-O 3.14Å; V272-V279 HydrophobicContact CG2-CB 4.44Å; V272-V279 PolarHBondContact N-O 2.77Å; V272-V279 PolarHBondContact O-N 3.47Å; Y274-V279 HydrophobicContact CD1-CG2 4.38Å; D277-V279 PolarHBondContact O-N 3.14Å; V279-L281 HydrophobicContact CG1-CD2 3.86Å; V279-W297 HydrophobicContact CG1-CZ2 4.21Å
280Q96.1Very high87Confident78 Ų7856.1 Ų56.136%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-81.8122.9173.3-69.1176.2-15.500110.1F225 Q271 F328F225-Q280 HydrophobicContact CD1-CB 4.44Å; F225-Q280 HydrophobicContact CD1-CG 3.96Å; F225-Q280 HydrophobicContact CD2-CB 4.03Å; F225-Q280 HydrophobicContact CD2-CG 4.37Å; F225-Q280 HydrophobicContact CE1-CB 4.2Å; F225-Q280 HydrophobicContact CE1-CG 3.89Å; F225-Q280 HydrophobicContact CE2-CB 3.76Å; F225-Q280 HydrophobicContact CE2-CG 4.31Å; F225-Q280 HydrophobicContact CG-CB 4.36Å; F225-Q280 HydrophobicContact CG-CG 4.2Å; F225-Q280 HydrophobicContact CZ-CB 3.85Å; F225-Q280 HydrophobicContact CZ-CG 4.07Å; Q271-Q280 HydrophobicContact CG-CG 4.08Å; Q280-F328 HydrophobicContact CB-CB 3.85Å; Q280-F328 PolarHBondContact O-N 3.05Å
281L96.5Very high86.3Confident0 Ų055.6 Ų55.60%028%0.28CS..EExtended strand (participates in β ladder)trans-114.6143.5178.3-58-176.3000110.4F225 A269 D270 V272 V279 W297 W304 W325 M326F225-L281 WeakPolarHBondContact CE2-O 3.4Å; A269-L281 WeakPolarHBondContact CA-O 3.31Å; D270-L281 PolarHBondContact N-O 2.8Å; D270-L281 PolarHBondContact O-N 2.63Å; D270-L281 VanDerWaalsContact O-O 3.12Å; V272-L281 HydrophobicContact CG1-CD1 4.12Å; V272-L281 HydrophobicContact CG2-CD1 3.59Å; V272-L281 HydrophobicContact CG2-CG 4.06Å; V279-L281 HydrophobicContact CG1-CD2 3.86Å; L281-W297 HydrophobicContact CD1-CD2 4.2Å; L281-W297 HydrophobicContact CD1-CE3 4Å; L281-W297 HydrophobicContact CD1-CZ3 4.3Å; L281-W297 HydrophobicContact CD2-CB 4.4Å; L281-W297 HydrophobicContact CD2-CD2 3.65Å; L281-W297 HydrophobicContact CD2-CE3 4.29Å; L281-W297 HydrophobicContact CD2-CG 3.67Å; L281-W297 HydrophobicContact CD2-CZ2 4.32Å; L281-W304 HydrophobicContact CD1-CH2 3.83Å; L281-W304 HydrophobicContact CD1-CZ3 4.28Å; L281-W325 HydrophobicContact CB-CE3 3.58Å; L281-W325 HydrophobicContact CB-CZ3 3.93Å; L281-M326 WeakPolarHBondContact CA-O 3.48Å
282I96.4Very high86Confident0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-125.9136.3174.7-168.1171.7000109I228 V266 I284 W325 M326 F328 F331I228-I282 HydrophobicContact CD1-CD1 4.02Å; V266-I282 HydrophobicContact CG1-CD1 3.75Å; V266-I282 HydrophobicContact CG1-CG1 3.69Å; V266-I282 HydrophobicContact CG2-CD1 4.34Å; I282-I284 HydrophobicContact CD1-CD1 4.03Å; I282-I284 HydrophobicContact CG1-CD1 3.93Å; I282-I284 HydrophobicContact CG2-CD1 4.33Å; I282-I284 HydrophobicContact CG2-CG1 4.44Å; I282-W325 VanDerWaalsContact C-CE3 3.42Å; I282-W325 WeakPolarHBondContact O-CA 3.24Å; I282-M326 HydrophobicContact CG2-CG 3.73Å; I282-M326 PolarHBondContact N-O 2.94Å; I282-M326 PolarHBondContact O-N 3.37Å; I282-F328 HydrophobicContact CD1-CD2 4.32Å; I282-F328 HydrophobicContact CD1-CE2 4.47Å; I282-F331 HydrophobicContact CD1-CD1 3.96Å; I282-F331 HydrophobicContact CD1-CD2 4.17Å; I282-F331 HydrophobicContact CD1-CE1 3.95Å; I282-F331 HydrophobicContact CD1-CE2 4.18Å; I282-F331 HydrophobicContact CD1-CG 4.06Å; I282-F331 HydrophobicContact CD1-CZ 4.07Å; I282-F331 HydrophobicContact CG2-CB 3.59Å; I282-F331 HydrophobicContact CG2-CD2 4.19Å; I282-F331 HydrophobicContact CG2-CG 3.88Å
283R92.9Very high85.9Confident69 Ų6953.3 Ų53.326%0.2627%0.268SS..EExtended strand (participates in β ladder)trans-100.9123.1179.5-164.817261.7173.5-14.4109.5V266 T267 G268 E323 F324 W325V266-R283 WeakPolarHBondContact CA-O 3.12Å; T267-R283 PolarHBondContact N-O 3.48Å; T267-R283 PolarHBondContact O-NH2 3.03Å; T267-R283 WeakPolarHBondContact OG1-CG 3.5Å; T267-R283 PolarHBondContact OG1-NE 3.4Å; G268-R283 PolarHBondContact O-N 3.28Å; R283-E323 VanDerWaalsContact CD-OE2 3.25Å; R283-E323 WeakPolarHBondContact CD-OE2 3.46Å; R283-E323 HydrophobicContact CG-CG 3.57Å; R283-E323 IonicContact CZ-OE1 3.3Å; R283-E323 IonicContact CZ-OE2 2.86Å; R283-E323 VanDerWaalsContact CZ-OE2 3.24Å; R283-E323 IonicContact NE-OE1 3.56Å; R283-E323 PolarHBondContact NE-OE1 3.28Å; R283-E323 IonicContact NE-OE2 3.65Å; R283-E323 PolarHBondContact NE-OE2 3.33Å; R283-E323 IonicContact NH1-OE2 3.28Å; R283-E323 PolarHBondContact NH1-OE2 3.07Å; R283-F324 WeakPolarHBondContact CA-O 3.33Å; R283-W325 HydrophobicContact CB-CD2 3.71Å; R283-W325 HydrophobicContact CB-CE3 3.7Å; R283-W325 HydrophobicContact CB-CG 4.43Å; R283-W325 HydrophobicContact CB-CH2 3.82Å; R283-W325 HydrophobicContact CB-CZ2 3.79Å; R283-W325 HydrophobicContact CB-CZ3 3.78Å; R283-W325 HydrophobicContact CG-CD2 4.02Å; R283-W325 HydrophobicContact CG-CG 4.34Å; R283-W325 HydrophobicContact CG-CZ2 4.15Å
284I90.9Very high85.9Confident0 Ų051 Ų510%026%0.263CS..EExtended strand (participates in β ladder)trans-118.5144.3-176.6-51.5-62.1000108.7Y264 S265 V266 I282 E323 F324 M326 F331 Y335Y264-I284 HydrophobicContact CD1-CG2 3.76Å; Y264-I284 HydrophobicContact CG-CG2 4.06Å; S265-I284 CarbonylContact O-C 3.48Å; S265-I284 WeakPolarHBondContact O-CA 3.37Å; V266-I284 HydrophobicContact CB-CD1 4.37Å; V266-I284 HydrophobicContact CG1-CD1 4.38Å; V266-I284 HydrophobicContact CG2-CD1 3.75Å; I282-I284 HydrophobicContact CD1-CD1 4.03Å; I282-I284 HydrophobicContact CG1-CD1 3.93Å; I282-I284 HydrophobicContact CG2-CD1 4.33Å; I282-I284 HydrophobicContact CG2-CG1 4.44Å; I284-E323 CarbonylContact O-C 3.6Å; I284-E323 WeakPolarHBondContact O-CA 3.48Å; I284-F324 HydrophobicContact CB-CD2 4.27Å; I284-F324 HydrophobicContact CB-CE2 3.72Å; I284-F324 HydrophobicContact CB-CZ 3.97Å; I284-F324 HydrophobicContact CG1-CE2 4.29Å; I284-F324 HydrophobicContact CG2-CE2 4.23Å; I284-F324 HydrophobicContact CG2-CZ 4.01Å; I284-F324 PolarHBondContact N-O 3.14Å; I284-F324 PolarHBondContact O-N 3.37Å; I284-M326 HydrophobicContact CG1-CG 4.45Å; I284-M326 HydrophobicContact CG1-SD 4.09Å; I284-F331 HydrophobicContact CD1-CD2 3.84Å; I284-F331 HydrophobicContact CD1-CE2 3.76Å; I284-F331 HydrophobicContact CG1-CD2 4.35Å; I284-Y335 WeakPolarHBondContact CG2-OH 3.02Å
285R83.1Confident86Confident51 Ų5149.5 Ų49.519%0.19226%0.262CS..EExtended strand (participates in β ladder)trans-124.2119.8-179.4-129.3-169.8153.1-141.1-5.4110R94 S265 T267 G322 E323R94-R285 VanDerWaalsContact CZ-CD 3.46Å; R94-R285 VanDerWaalsContact CZ-NH2 3.3Å; R94-R285 VanDerWaalsContact NH1-CB 3.34Å; R94-R285 VanDerWaalsContact NH1-NE 3.18Å; R94-R285 VanDerWaalsContact NH2-CZ 3.26Å; S265-R285 PolarHBondContact N-O 3.33Å; S265-R285 PolarHBondContact O-N 3.35Å; T267-R285 HydrophobicContact CG2-CB 3.87Å; T267-R285 HydrophobicContact CG2-CG 4.28Å; R285-G322 CarbonylContact C-O 3.25Å; R285-G322 WeakPolarHBondContact CA-O 3.36Å; R285-E323 WeakPolarHBondContact CD-OE1 3.49Å; R285-E323 HydrophobicContact CG-CB 3.61Å; R285-E323 HydrophobicContact CG-CG 3.81Å; R285-E323 WeakPolarHBondContact CG-OE1 3.17Å
286N79.9Confident86.2Confident0 Ų044 Ų440%024%0.242CC..  trans-75.2119.7167.8-171.5-11.8000109.8R94 H262 Y264 W288 G289 Q290 V291 G322R94-N286 VanDerWaalsContact NH1-C 3.32Å; R94-N286 PolarHBondContact NH1-O 3.27Å; R94-N286 PolarHBondContact NH2-O 2.96Å; R94-N286 VanDerWaalsContact NH2-O 3.1Å; H262-N286 PolarHBondContact NE2-OD1 3.24Å; Y264-N286 HydrophobicContact CD1-CB 3.97Å; Y264-N286 HydrophobicContact CE1-CB 3.57Å; N286-W288 PolarHBondContact O-N 3.18Å; N286-W288 VanDerWaalsContact O-N 3.12Å; N286-W288 PolarHBondContact OD1-N 3.11Å; N286-G289 PolarHBondContact O-N 3.33Å; N286-Q290 PolarHBondContact ND2-O 2.82Å; N286-V291 PolarHBondContact ND2-O 3.43Å; N286-G322 PolarHBondContact N-O 3.13Å
287P67.5Low86.5Confident15 Ų1541.9 Ų41.910%0.09722%0.216CC..THydrogen-bonded Turntrans-60.6-21.8-178.325.3-36.6000114.4A112 H262 A263 G289A112-P287 HydrophobicContact CB-CB 4Å; H262-P287 VanDerWaalsContact CE1-CG 3.46Å; H262-P287 WeakPolarHBondContact CE1-CG 3.31Å; H262-P287 WeakPolarHBondContact NE2-CD 3.16Å; H262-P287 VanDerWaalsContact NE2-CG 3.3Å; H262-P287 WeakPolarHBondContact NE2-CG 3.14Å; A263-P287 WeakPolarHBondContact O-CD 3.38Å; A263-P287 VanDerWaalsContact O-CG 3.25Å; A263-P287 WeakPolarHBondContact O-CG 3.48Å; P287-G289 PolarHBondContact O-N 3.14Å; P287-G289 VanDerWaalsContact O-N 3.1Å
288W70.2Confident86.6Confident89 Ų8937 Ų3734%0.33719%0.191SC..THydrogen-bonded Turntrans-63.2-14.3174.6-66-13.7000114.1V259 H262 N286 Q290V259-W288 HydrophobicContact CG1-CH2 3.8Å; V259-W288 HydrophobicContact CG1-CZ2 4.36Å; V259-W288 HydrophobicContact CG1-CZ3 4.31Å; V259-W288 HydrophobicContact CG2-CE3 4.21Å; V259-W288 HydrophobicContact CG2-CH2 3.96Å; V259-W288 HydrophobicContact CG2-CZ3 3.6Å; H262-W288 AromaticContact CE1-CE2 3.95Å; H262-W288 AromaticContact CE1-NE1 3.56Å; N286-W288 PolarHBondContact O-N 3.18Å; N286-W288 VanDerWaalsContact O-N 3.12Å; N286-W288 PolarHBondContact OD1-N 3.11Å; W288-Q290 HydrophobicContact CB-CG 4.05Å; W288-Q290 PolarHBondContact O-N 2.72Å
289G65.1Low86.2Confident17 Ų1732.1 Ų32.118%0.17517%0.167CC..SBendtrans71.713-178.200000114N286 P287 D321 G322N286-G289 PolarHBondContact O-N 3.33Å; P287-G289 PolarHBondContact O-N 3.14Å; P287-G289 VanDerWaalsContact O-N 3.1Å; G289-D321 VanDerWaalsContact C-C 3.5Å; G289-D321 CarbonylContact C-O 3.58Å; G289-D321 VanDerWaalsContact CA-O 3.24Å; G289-D321 WeakPolarHBondContact CA-O 3.33Å; G289-D321 CarbonylContact O-C 3.54Å; G289-D321 VanDerWaalsContact O-C 3.24Å; G289-G322 PolarHBondContact O-N 3.34Å
290Q70.6Confident85.9Confident113 Ų11337.4 Ų37.453%0.52820%0.195SC..  trans-157.1171.7-178.557-179.1-2.900109.1N286 W288N286-Q290 PolarHBondContact ND2-O 2.82Å; W288-Q290 HydrophobicContact CB-CG 4.05Å; W288-Q290 PolarHBondContact O-N 2.72Å
291V80.3Confident85.6Confident32 Ų3234.4 Ų34.419%0.19418%0.182CC..  trans67.585178.6-174.20000110.5K257 N286 E320K257-V291 HydrophobicContact CB-CG1 4.04Å; K257-V291 WeakPolarHBondContact O-CG1 3.42Å; N286-V291 PolarHBondContact ND2-O 3.43Å; V291-E320 PolarHBondContact N-OE1 3.48Å
292E85.7Confident85.3Confident16 Ų1637.8 Ų37.88%0.07521%0.206CC..  trans-107.1157.9-175.3-65.3171.7-171.400114K257 E320 D321 G322 F324K257-E292 VanDerWaalsContact CB-O 3.22Å; K257-E292 WeakPolarHBondContact CB-O 3.49Å; E292-E320 WeakPolarHBondContact OE1-CA 3.48Å; E292-D321 PolarHBondContact OE1-N 3.39Å; E292-G322 WeakPolarHBondContact OE1-CA 3.44Å; E292-G322 PolarHBondContact OE1-N 2.87Å; E292-F324 HydrophobicContact CB-CD1 3.88Å; E292-F324 HydrophobicContact CG-CD1 4.02Å
293W92.4Very high85.1Confident6 Ų639.7 Ų39.72%0.02321%0.214CC..  trans-53.5132.7174.8169.8-113.4000112.7R256 L258 G295 A296 S298 F324 M326 D330 E334R256-W293 HydrophobicContact CB-CE3 3.79Å; R256-W293 HydrophobicContact CB-CH2 4.46Å; R256-W293 HydrophobicContact CB-CZ3 3.56Å; R256-W293 VanDerWaalsContact CD-CH2 3.44Å; R256-W293 HydrophobicContact CG-CZ3 4.06Å; L258-W293 HydrophobicContact CD1-CE3 3.85Å; L258-W293 HydrophobicContact CD1-CZ3 3.78Å; L258-W293 HydrophobicContact CD2-CB 4.46Å; L258-W293 HydrophobicContact CD2-CE3 4.11Å; L258-W293 HydrophobicContact CG-CE3 3.9Å; L258-W293 HydrophobicContact CG-CZ3 4.26Å; W293-G295 VanDerWaalsContact NE1-C 3.26Å; W293-G295 VanDerWaalsContact NE1-CA 3.32Å; W293-A296 PolarHBondContact NE1-O 2.75Å; W293-S298 WeakPolarHBondContact O-CB 3.4Å; W293-F324 HydrophobicContact CB-CB 4.27Å; W293-F324 HydrophobicContact CB-CD1 4.09Å; W293-F324 HydrophobicContact CB-CD2 3.27Å; W293-F324 HydrophobicContact CB-CE1 4.23Å; W293-F324 HydrophobicContact CB-CE2 3.45Å; W293-F324 VanDerWaalsContact CB-CE2 3.45Å; W293-F324 HydrophobicContact CB-CG 3.61Å; W293-F324 HydrophobicContact CB-CZ 3.93Å; W293-F324 HydrophobicContact CG-CD2 4.03Å; W293-F324 HydrophobicContact CG-CE2 4.24Å; W293-M326 HydrophobicContact CD2-CE 4.26Å; W293-M326 HydrophobicContact CE3-CE 4.28Å; W293-M326 HydrophobicContact CH2-CE 3.98Å; W293-M326 HydrophobicContact CZ2-CE 4Å; W293-M326 HydrophobicContact CZ3-CE 4.13Å; W293-D330 HydrophobicContact CH2-CB 4.45Å; W293-D330 HydrophobicContact CZ2-CB 4.25Å; W293-E334 HydrophobicContact CH2-CG 3.96Å; W293-E334 HydrophobicContact CZ3-CG 3.95Å
294T92.4Very high85Confident73 Ų7336.5 Ų36.545%0.44820%0.202SC..  trans-106.911.5179.962.70000114.2R256 K257R256-T294 PolarHBondContact O-N 3.03Å; K257-T294 HydrophobicContact CB-CG2 4.29Å; K257-T294 HydrophobicContact CD-CG2 3.61Å; K257-T294 HydrophobicContact CG-CG2 3.85Å
295G92.6Very high84.9Confident18 Ų1846.3 Ų46.319%0.18624%0.239CC..SBendtrans-91.4-161.217900000113.2W293 S298W293-G295 VanDerWaalsContact NE1-C 3.26Å; W293-G295 VanDerWaalsContact NE1-CA 3.32Å; G295-S298 VanDerWaalsContact O-CB 3.3Å; G295-S298 WeakPolarHBondContact O-CB 3.39Å; G295-S298 PolarHBondContact O-N 3.24Å; G295-S298 PolarHBondContact O-OG 2.86Å
296A92.5Very high85.1Confident28 Ų2847 Ų4723%0.23125%0.252CS..THydrogen-bonded Turntrans-57.6141.7176.500000111W293 S298 E303W293-A296 PolarHBondContact NE1-O 2.75Å; A296-S298 PolarHBondContact O-N 3.11Å; A296-E303 WeakPolarHBondContact CB-OE1 3.22Å
297W93.6Very high85.6Confident11 Ų1147.4 Ų47.44%0.04226%0.255CS..THydrogen-bonded Turntrans70.44.1-178.3-51.1102.4000116.5V272 Y274 V279 L281 S301 E303 W304 V307 W325V272-W297 HydrophobicContact CG2-CH2 4.09Å; V272-W297 HydrophobicContact CG2-CZ3 4.4Å; Y274-W297 HydrophobicContact CD1-CZ2 4.25Å; Y274-W297 AromaticContact CD2-CH2 3.55Å; Y274-W297 HydrophobicContact CD2-CH2 3.55Å; Y274-W297 HydrophobicContact CD2-CZ2 4.02Å; Y274-W297 HydrophobicContact CE2-CH2 4.17Å; Y274-W297 HydrophobicContact CE2-CZ2 4.47Å; Y274-W297 AromaticContact CG-CH2 3.77Å; Y274-W297 HydrophobicContact CG-CH2 3.77Å; Y274-W297 AromaticContact CG-CZ2 3.88Å; Y274-W297 HydrophobicContact CG-CZ2 3.88Å; V279-W297 HydrophobicContact CG1-CZ2 4.21Å; L281-W297 HydrophobicContact CD1-CD2 4.2Å; L281-W297 HydrophobicContact CD1-CE3 4Å; L281-W297 HydrophobicContact CD1-CZ3 4.3Å; L281-W297 HydrophobicContact CD2-CB 4.4Å; L281-W297 HydrophobicContact CD2-CD2 3.65Å; L281-W297 HydrophobicContact CD2-CE3 4.29Å; L281-W297 HydrophobicContact CD2-CG 3.67Å; L281-W297 HydrophobicContact CD2-CZ2 4.32Å; W297-S301 PolarHBondContact N-OG 3.2Å; W297-E303 HydrophobicContact CD2-CB 4.09Å; W297-E303 HydrophobicContact CE3-CB 3.96Å; W297-E303 HydrophobicContact CH2-CB 4.03Å; W297-E303 HydrophobicContact CZ2-CB 4.14Å; W297-E303 HydrophobicContact CZ3-CB 3.92Å; W297-W304 HydrophobicContact CB-CZ2 4.44Å; W297-W304 AromaticContact CE3-CD2 3.91Å; W297-W304 HydrophobicContact CE3-CD2 3.91Å; W297-W304 AromaticContact CE3-CE2 3.85Å; W297-W304 HydrophobicContact CE3-CE3 4.07Å; W297-W304 HydrophobicContact CE3-CH2 4.14Å; W297-W304 AromaticContact CE3-CZ2 3.98Å; W297-W304 HydrophobicContact CE3-CZ2 3.98Å; W297-W304 HydrophobicContact CE3-CZ3 4.18Å; W297-W304 HydrophobicContact CZ3-CD2 4.15Å; W297-W304 AromaticContact CZ3-CE3 3.97Å; W297-W304 HydrophobicContact CZ3-CE3 3.97Å; W297-W304 HydrophobicContact CZ3-CZ3 4.19Å; W297-W304 PolarHBondContact O-NE1 2.97Å; W297-W304 VanDerWaalsContact O-NE1 3.09Å; W297-V307 HydrophobicContact CH2-CG2 3.68Å; W297-V307 HydrophobicContact CZ3-CG2 3.6Å; W297-W325 CarbonylContact C-O 3.48Å; W297-W325 VanDerWaalsContact C-O 3.25Å; W297-W325 HydrophobicContact CB-CB 4.26Å; W297-W325 VanDerWaalsContact O-O 3.12Å
298S91.8Very high86.6Confident15 Ų1549.3 Ų49.311%0.10527%0.268CS..SBendtrans-55.1162.4164.658.60000112.3W293 G295 A296 N300 S301 W304W293-S298 WeakPolarHBondContact O-CB 3.4Å; G295-S298 VanDerWaalsContact O-CB 3.3Å; G295-S298 WeakPolarHBondContact O-CB 3.39Å; G295-S298 PolarHBondContact O-N 3.24Å; G295-S298 PolarHBondContact O-OG 2.86Å; A296-S298 PolarHBondContact O-N 3.11Å; S298-N300 PolarHBondContact O-N 3.4Å; S298-S301 WeakPolarHBondContact O-CB 3.42Å; S298-S301 PolarHBondContact O-N 2.71Å; S298-W304 PolarHBondContact O-NE1 2.77Å; S298-W304 VanDerWaalsContact O-NE1 3.09Å
299D86.1Confident87.4Confident11 Ų1149.8 Ų49.86%0.05929%0.285CS..THydrogen-bonded Turntrans-52.1-33.7-176.2-74.723.6000114.3N317 R318 S319D299-N317 VanDerWaalsContact CG-O 3.24Å; D299-R318 PolarHBondContact O-NE 2.99Å; D299-S319 PolarHBondContact OD2-N 2.75Å
300N86.8Confident88.5Confident144 Ų14456 Ų5677%0.7731%0.31SS*.THydrogen-bonded Turntrans-102.18.5-179-65.2-61.4000113.6S298S298-N300 PolarHBondContact O-N 3.4Å
301S90.3Very high89.3Confident15 Ų1552.1 Ų52.111%0.10529%0.293CS..  trans-66.1143.6-176-146.10000111.9W297 S298 E303W297-S301 PolarHBondContact N-OG 3.2Å; S298-S301 WeakPolarHBondContact O-CB 3.42Å; S298-S301 PolarHBondContact O-N 2.71Å; S301-E303 VanDerWaalsContact C-N 3.26Å; S301-E303 WeakPolarHBondContact CB-OE2 3.23Å; S301-E303 PolarHBondContact O-N 2.69Å; S301-E303 PolarHBondContact OG-OE2 2.72Å
302S90.9Very high89.5Confident70 Ų7053.4 Ų53.449%0.4930%0.296SS..G310 helixtrans-71-22178.952.50000114.1W304 R305S302-W304 VanDerWaalsContact C-N 3.26Å; S302-W304 PolarHBondContact O-N 3.27Å; S302-R305 VanDerWaalsContact O-CB 3.24Å; S302-R305 WeakPolarHBondContact O-CB 3.37Å; S302-R305 WeakPolarHBondContact O-CG 3.21Å; S302-R305 PolarHBondContact O-N 3.09Å
303E91.4Very high89.5Confident40 Ų4061 Ų6119%0.18733%0.332CS..G310 helixtrans-60.1-37.6-175.6-71.780.615800110.7Y274 A296 W297 S301 R305 S306Y274-E303 HydrophobicContact CE2-CB 4.03Å; Y274-E303 HydrophobicContact CE2-CG 4.39Å; Y274-E303 WeakPolarHBondContact CE2-O 3.15Å; A296-E303 WeakPolarHBondContact CB-OE1 3.22Å; W297-E303 HydrophobicContact CD2-CB 4.09Å; W297-E303 HydrophobicContact CE3-CB 3.96Å; W297-E303 HydrophobicContact CH2-CB 4.03Å; W297-E303 HydrophobicContact CZ2-CB 4.14Å; W297-E303 HydrophobicContact CZ3-CB 3.92Å; S301-E303 VanDerWaalsContact C-N 3.26Å; S301-E303 WeakPolarHBondContact CB-OE2 3.23Å; S301-E303 PolarHBondContact O-N 2.69Å; S301-E303 PolarHBondContact OG-OE2 2.72Å; E303-R305 PolarHBondContact O-N 2.86Å; E303-R305 VanDerWaalsContact O-N 3.09Å; E303-S306 PolarHBondContact O-N 3.48Å
304W90.6Very high89.1Confident2 Ų266.1 Ų66.11%0.00835%0.351CS..G310 helixtrans-55.3-29.2174.2-68.6117.3000113.2L281 W297 S298 S302 S306 V307 Q312 L315 T316 W325L281-W304 HydrophobicContact CD1-CH2 3.83Å; L281-W304 HydrophobicContact CD1-CZ3 4.28Å; W297-W304 HydrophobicContact CB-CZ2 4.44Å; W297-W304 AromaticContact CE3-CD2 3.91Å; W297-W304 HydrophobicContact CE3-CD2 3.91Å; W297-W304 AromaticContact CE3-CE2 3.85Å; W297-W304 HydrophobicContact CE3-CE3 4.07Å; W297-W304 HydrophobicContact CE3-CH2 4.14Å; W297-W304 AromaticContact CE3-CZ2 3.98Å; W297-W304 HydrophobicContact CE3-CZ2 3.98Å; W297-W304 HydrophobicContact CE3-CZ3 4.18Å; W297-W304 HydrophobicContact CZ3-CD2 4.15Å; W297-W304 AromaticContact CZ3-CE3 3.97Å; W297-W304 HydrophobicContact CZ3-CE3 3.97Å; W297-W304 HydrophobicContact CZ3-CZ3 4.19Å; W297-W304 PolarHBondContact O-NE1 2.97Å; W297-W304 VanDerWaalsContact O-NE1 3.09Å; S298-W304 PolarHBondContact O-NE1 2.77Å; S298-W304 VanDerWaalsContact O-NE1 3.09Å; S302-W304 VanDerWaalsContact C-N 3.26Å; S302-W304 PolarHBondContact O-N 3.27Å; W304-S306 PolarHBondContact O-N 2.78Å; W304-V307 HydrophobicContact CE3-CG2 4.48Å; W304-V307 PolarHBondContact O-N 3.38Å; W304-Q312 PolarHBondContact O-NE2 3.17Å; W304-L315 HydrophobicContact CH2-CB 3.89Å; W304-L315 HydrophobicContact CH2-CD1 4.49Å; W304-L315 HydrophobicContact CZ3-CB 4.04Å; W304-L315 HydrophobicContact CZ3-CD1 4.38Å; W304-T316 HydrophobicContact CD2-CG2 4.1Å; W304-T316 HydrophobicContact CG-CG2 4.2Å; W304-W325 HydrophobicContact CH2-CB 4.38Å; W304-W325 HydrophobicContact CH2-CG 4.16Å; W304-W325 HydrophobicContact CZ2-CB 3.84Å; W304-W325 AromaticContact CZ2-CD1 3.91Å; W304-W325 AromaticContact CZ2-CG 3.95Å; W304-W325 HydrophobicContact CZ2-CG 3.95Å
305R88.6Confident88.7Confident206 Ų20663.1 Ų63.178%0.77733%0.333SS*.G310 helixtrans-66.4-18.9-179.8-59.7178.7-1751703113.7S302 E303S302-R305 VanDerWaalsContact O-CB 3.24Å; S302-R305 WeakPolarHBondContact O-CB 3.37Å; S302-R305 WeakPolarHBondContact O-CG 3.21Å; S302-R305 PolarHBondContact O-N 3.09Å; E303-R305 PolarHBondContact O-N 2.86Å; E303-R305 VanDerWaalsContact O-N 3.09Å
306S87.8Confident87.9Confident66 Ų6663.8 Ų63.846%0.46233%0.333SS..G310 helixtrans-102.13.6179.8-58.30000113.3E303 W304E303-S306 PolarHBondContact O-N 3.48Å; W304-S306 PolarHBondContact O-N 2.78Å
307V90.5Very high87Confident9 Ų966.4 Ų66.46%0.05534%0.343CS..SBendtrans-93.8155.2174.6174.80000109.9V272 Y274 W297 W304 D311 Q312V272-V307 HydrophobicContact CB-CG1 4.23Å; V272-V307 HydrophobicContact CG1-CG1 4.34Å; V272-V307 HydrophobicContact CG2-CG2 4.27Å; Y274-V307 HydrophobicContact CD2-CG2 4.19Å; W297-V307 HydrophobicContact CH2-CG2 3.68Å; W297-V307 HydrophobicContact CZ3-CG2 3.6Å; W304-V307 HydrophobicContact CE3-CG2 4.48Å; W304-V307 PolarHBondContact O-N 3.38Å; V307-D311 HydrophobicContact CG1-CB 3.46Å; V307-D311 VanDerWaalsContact CG1-CB 3.46Å; V307-Q312 HydrophobicContact CB-CG 4.37Å; V307-Q312 HydrophobicContact CG1-CG 4.46Å; V307-Q312 PolarHBondContact O-NE2 3Å
308S88.5Confident86.1Confident54 Ų5474 Ų7438%0.37837%0.372SS..  trans-56152.2177.783.20000111.9E310 D311 Q312S308-E310 VanDerWaalsContact C-N 3.25Å; S308-E310 PolarHBondContact O-N 3.37Å; S308-D311 PolarHBondContact O-N 3.28Å; S308-D311 WeakPolarHBondContact OG-CB 3.4Å; S308-D311 VanDerWaalsContact OG-CG 3.29Å; S308-D311 PolarHBondContact OG-N 3.34Å; S308-D311 PolarHBondContact OG-OD2 3.03Å; S308-Q312 WeakPolarHBondContact O-CB 3.22Å; S308-Q312 WeakPolarHBondContact O-CG 3.25Å; S308-Q312 PolarHBondContact O-N 3.17Å
309S86.6Confident85.1Confident99 Ų9975.2 Ų75.269%0.69238%0.38SS*.Hα-helixtrans-65.1-31.8177.852.20000112.6Q312 E313S309-Q312 PolarHBondContact O-N 3.27Å; S309-E313 PolarHBondContact O-N 3Å
310E88.3Confident84.3Confident148 Ų14880.4 Ų80.469%0.69240%0.404SS*.Hα-helixtrans-66.3-47.7177-177.5174.8-177.500111.3S308 Q312 E313 R314S308-E310 VanDerWaalsContact C-N 3.25Å; S308-E310 PolarHBondContact O-N 3.37Å; E310-Q312 VanDerWaalsContact C-N 3.33Å; E310-Q312 PolarHBondContact O-N 3.16Å; E310-E313 PolarHBondContact O-N 2.91Å; E310-R314 VanDerWaalsContact O-CB 3.27Å; E310-R314 WeakPolarHBondContact O-CB 3.3Å; E310-R314 PolarHBondContact O-N 2.96Å
311D87.1Confident83.5Confident32 Ų3275.5 Ų75.517%0.17138%0.378CS..Hα-helixtrans-68.1-33.6176.4-70.3-50.4000112.2V272 V307 S308 R314 L315V272-D311 HydrophobicContact CG1-CB 4.11Å; V307-D311 HydrophobicContact CG1-CB 3.46Å; V307-D311 VanDerWaalsContact CG1-CB 3.46Å; S308-D311 PolarHBondContact O-N 3.28Å; S308-D311 WeakPolarHBondContact OG-CB 3.4Å; S308-D311 VanDerWaalsContact OG-CG 3.29Å; S308-D311 PolarHBondContact OG-N 3.34Å; S308-D311 PolarHBondContact OG-OD2 3.03Å; D311-R314 PolarHBondContact O-N 3Å; D311-R314 IonicContact OD1-CZ 2.59Å; D311-R314 IonicContact OD1-NE 2.79Å; D311-R314 PolarHBondContact OD1-NE 3.43Å; D311-R314 IonicContact OD1-NH2 3.82Å; D311-R314 PolarHBondContact OD1-NH2 3.09Å; D311-L315 HydrophobicContact CB-CD1 4.49Å; D311-L315 VanDerWaalsContact O-CB 3.28Å; D311-L315 WeakPolarHBondContact O-CB 3.41Å; D311-L315 WeakPolarHBondContact O-CG 3.33Å; D311-L315 PolarHBondContact O-N 2.97Å
312Q85.1Confident82.8Confident58 Ų5874.8 Ų74.827%0.27137%0.373SS..Hα-helixtrans-62.2-45.5173.4-78.3179.64900111.7W304 V307 S308 S309 E310 R314 T316W304-Q312 PolarHBondContact O-NE2 3.17Å; V307-Q312 HydrophobicContact CB-CG 4.37Å; V307-Q312 HydrophobicContact CG1-CG 4.46Å; V307-Q312 PolarHBondContact O-NE2 3Å; S308-Q312 WeakPolarHBondContact O-CB 3.22Å; S308-Q312 WeakPolarHBondContact O-CG 3.25Å; S308-Q312 PolarHBondContact O-N 3.17Å; S309-Q312 PolarHBondContact O-N 3.27Å; E310-Q312 VanDerWaalsContact C-N 3.33Å; E310-Q312 PolarHBondContact O-N 3.16Å; Q312-R314 VanDerWaalsContact C-N 3.31Å; Q312-T316 WeakPolarHBondContact CA-OG1 3.42Å; Q312-T316 WeakPolarHBondContact O-CA 3.48Å; Q312-T316 WeakPolarHBondContact O-CB 3.37Å; Q312-T316 PolarHBondContact O-N 3.19Å; Q312-T316 PolarHBondContact O-OG1 2.89Å
313E85Confident82.5Confident175 Ų17572.7 Ų72.782%0.81836%0.355SS*.Hα-helixtrans-66-36.3177.6-174.6171.5-168.200111.8S309 E310S309-E313 PolarHBondContact O-N 3Å; E310-E313 PolarHBondContact O-N 2.91Å
314R85.1Confident82.5Confident115 Ų11570.9 Ų70.943%0.43435%0.347SS..Hα-helixtrans-73.4-35.9-179-172.3172.668.186.1-4113.8D270 E310 D311 Q312D270-R314 IonicContact OD1-CZ 2.68Å; D270-R314 IonicContact OD1-NH1 2.76Å; D270-R314 PolarHBondContact OD1-NH1 2.87Å; D270-R314 VanDerWaalsContact OD1-NH1 3.15Å; D270-R314 IonicContact OD1-NH2 2.78Å; D270-R314 PolarHBondContact OD1-NH2 2.62Å; D270-R314 IonicContact OD2-CZ 3.76Å; D270-R314 IonicContact OD2-NH1 3.58Å; D270-R314 PolarHBondContact OD2-NH1 2.95Å; D270-R314 IonicContact OD2-NH2 3.68Å; E310-R314 VanDerWaalsContact O-CB 3.27Å; E310-R314 WeakPolarHBondContact O-CB 3.3Å; E310-R314 PolarHBondContact O-N 2.96Å; D311-R314 PolarHBondContact O-N 3Å; D311-R314 IonicContact OD1-CZ 2.59Å; D311-R314 IonicContact OD1-NE 2.79Å; D311-R314 PolarHBondContact OD1-NE 3.43Å; D311-R314 IonicContact OD1-NH2 3.82Å; D311-R314 PolarHBondContact OD1-NH2 3.09Å; Q312-R314 VanDerWaalsContact C-N 3.31Å
315L83.3Confident82.7Confident10 Ų1071.4 Ų71.45%0.05235%0.349CS..Hα-helixtrans-112.4-30.1-168.9-57.1176.7000113.5D270 V272 W304 D311 N317 W325D270-L315 HydrophobicContact CB-CD1 4.42Å; D270-L315 HydrophobicContact CB-CD2 3.97Å; V272-L315 HydrophobicContact CG1-CD1 3.27Å; W304-L315 HydrophobicContact CH2-CB 3.89Å; W304-L315 HydrophobicContact CH2-CD1 4.49Å; W304-L315 HydrophobicContact CZ3-CB 4.04Å; W304-L315 HydrophobicContact CZ3-CD1 4.38Å; D311-L315 HydrophobicContact CB-CD1 4.49Å; D311-L315 VanDerWaalsContact O-CB 3.28Å; D311-L315 WeakPolarHBondContact O-CB 3.41Å; D311-L315 WeakPolarHBondContact O-CG 3.33Å; D311-L315 PolarHBondContact O-N 2.97Å; L315-N317 PolarHBondContact O-N 3.36Å; L315-W325 HydrophobicContact CB-CZ2 4.14Å; L315-W325 HydrophobicContact CD2-CH2 3.74Å; L315-W325 HydrophobicContact CD2-CZ2 3.5Å; L315-W325 HydrophobicContact CG-CZ2 4.36Å; L315-W325 PolarHBondContact O-NE1 3.3Å
316T76.6Confident83Confident32 Ų3261.6 Ų61.620%0.19631%0.312CS..  trans-89.6114.8-172.5-24.20000110.7W304 Q312 R318W304-T316 HydrophobicContact CD2-CG2 4.1Å; W304-T316 HydrophobicContact CG-CG2 4.2Å; Q312-T316 WeakPolarHBondContact CA-OG1 3.42Å; Q312-T316 WeakPolarHBondContact O-CA 3.48Å; Q312-T316 WeakPolarHBondContact O-CB 3.37Å; Q312-T316 PolarHBondContact O-N 3.19Å; Q312-T316 PolarHBondContact O-OG1 2.89Å; T316-R318 HydrophobicContact CG2-CG 4.46Å
317N74.3Confident83.4Confident83 Ų8359.1 Ų59.144%0.44429%0.294SS..  trans-104.3142.7158-169.410.7000107.5D299 L315 S319 D321D299-N317 VanDerWaalsContact CG-O 3.24Å; L315-N317 PolarHBondContact O-N 3.36Å; N317-S319 VanDerWaalsContact CG-OG 3.23Å; N317-S319 PolarHBondContact ND2-OG 2.88Å; N317-S319 PolarHBondContact OD1-OG 3.28Å; N317-D321 PolarHBondContact ND2-OD2 2.92Å
318R74.3Confident83.7Confident171 Ų17159.4 Ų59.465%0.64530%0.295SS*.  trans-119.975.1177.8-71.2-169.4-176.115910.2109D299 T316D299-R318 PolarHBondContact O-NE 2.99Å; T316-R318 HydrophobicContact CG2-CG 4.46Å
319S71.1Confident84.1Confident39 Ų3961 Ų6127%0.27331%0.306SS..SBendtrans-144.7134.1-178.148.80000108.7D299 N317 D321D299-S319 PolarHBondContact OD2-N 2.75Å; N317-S319 VanDerWaalsContact CG-OG 3.23Å; N317-S319 PolarHBondContact ND2-OG 2.88Å; N317-S319 PolarHBondContact OD1-OG 3.28Å; S319-D321 PolarHBondContact O-N 2.95Å; S319-D321 PolarHBondContact OG-OD2 2.6Å; S319-D321 VanDerWaalsContact OG-OD2 3.06Å
320E68.2Low84.5Confident120 Ų12057.3 Ų57.356%0.56128%0.279SS*.  trans-73.581.7168.5-174.288.4-153.700107.9V291 E292V291-E320 PolarHBondContact N-OE1 3.48Å; E292-E320 WeakPolarHBondContact OE1-CA 3.48Å
321D71Confident84.9Confident42 Ų4250.3 Ų50.323%0.22525%0.246CC..SBendtrans-117.51.6179.270.413.4000111.5R94 G289 E292 N317 S319 E323R94-D321 PolarHBondContact NH2-O 3.23Å; G289-D321 VanDerWaalsContact C-C 3.5Å; G289-D321 CarbonylContact C-O 3.58Å; G289-D321 VanDerWaalsContact CA-O 3.24Å; G289-D321 WeakPolarHBondContact CA-O 3.33Å; G289-D321 CarbonylContact O-C 3.54Å; G289-D321 VanDerWaalsContact O-C 3.24Å; E292-D321 PolarHBondContact OE1-N 3.39Å; N317-D321 PolarHBondContact ND2-OD2 2.92Å; S319-D321 PolarHBondContact O-N 2.95Å; S319-D321 PolarHBondContact OG-OD2 2.6Å; S319-D321 VanDerWaalsContact OG-OD2 3.06Å; D321-E323 WeakPolarHBondContact OD1-CA 3.38Å; D321-E323 WeakPolarHBondContact OD1-CB 3.42Å; D321-E323 PolarHBondContact OD1-N 3.37Å
322G75.2Confident85.3Confident0 Ų050.9 Ų50.90%025%0.249CC..SBendtrans86.1-3.4-176.700000114.1R285 N286 G289 E292R285-G322 CarbonylContact C-O 3.25Å; R285-G322 WeakPolarHBondContact CA-O 3.36Å; N286-G322 PolarHBondContact N-O 3.13Å; G289-G322 PolarHBondContact O-N 3.34Å; E292-G322 WeakPolarHBondContact OE1-CA 3.44Å; E292-G322 PolarHBondContact OE1-N 2.87Å
323E84.4Confident85.7Confident25 Ų2554.9 Ų54.912%0.11726%0.261CS..EExtended strand (participates in β ladder)trans-92.2136.8176.5-165.7160.9-102.500111.1T267 R283 I284 R285 D321T267-E323 WeakPolarHBondContact CB-OE1 3.36Å; T267-E323 PolarHBondContact OG1-OE1 3.21Å; R283-E323 VanDerWaalsContact CD-OE2 3.25Å; R283-E323 WeakPolarHBondContact CD-OE2 3.46Å; R283-E323 HydrophobicContact CG-CG 3.57Å; R283-E323 IonicContact CZ-OE1 3.3Å; R283-E323 IonicContact CZ-OE2 2.86Å; R283-E323 VanDerWaalsContact CZ-OE2 3.24Å; R283-E323 IonicContact NE-OE1 3.56Å; R283-E323 PolarHBondContact NE-OE1 3.28Å; R283-E323 IonicContact NE-OE2 3.65Å; R283-E323 PolarHBondContact NE-OE2 3.33Å; R283-E323 IonicContact NH1-OE2 3.28Å; R283-E323 PolarHBondContact NH1-OE2 3.07Å; I284-E323 CarbonylContact O-C 3.6Å; I284-E323 WeakPolarHBondContact O-CA 3.48Å; R285-E323 WeakPolarHBondContact CD-OE1 3.49Å; R285-E323 HydrophobicContact CG-CB 3.61Å; R285-E323 HydrophobicContact CG-CG 3.81Å; R285-E323 WeakPolarHBondContact CG-OE1 3.17Å; D321-E323 WeakPolarHBondContact OD1-CA 3.38Å; D321-E323 WeakPolarHBondContact OD1-CB 3.42Å; D321-E323 PolarHBondContact OD1-N 3.37Å
324F91.2Very high86.2Confident2 Ų248.4 Ų48.41%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-152.1154.3176.852.4-94.7000111.1L258 Y264 R283 I284 E292 W293 M326L258-F324 HydrophobicContact CD2-CE2 4.19Å; L258-F324 HydrophobicContact CD2-CZ 3.71Å; Y264-F324 HydrophobicContact CE1-CE1 4.48Å; Y264-F324 HydrophobicContact CE1-CZ 4.36Å; R283-F324 WeakPolarHBondContact CA-O 3.33Å; I284-F324 HydrophobicContact CB-CD2 4.27Å; I284-F324 HydrophobicContact CB-CE2 3.72Å; I284-F324 HydrophobicContact CB-CZ 3.97Å; I284-F324 HydrophobicContact CG1-CE2 4.29Å; I284-F324 HydrophobicContact CG2-CE2 4.23Å; I284-F324 HydrophobicContact CG2-CZ 4.01Å; I284-F324 PolarHBondContact N-O 3.14Å; I284-F324 PolarHBondContact O-N 3.37Å; E292-F324 HydrophobicContact CB-CD1 3.88Å; E292-F324 HydrophobicContact CG-CD1 4.02Å; W293-F324 HydrophobicContact CB-CB 4.27Å; W293-F324 HydrophobicContact CB-CD1 4.09Å; W293-F324 HydrophobicContact CB-CD2 3.27Å; W293-F324 HydrophobicContact CB-CE1 4.23Å; W293-F324 HydrophobicContact CB-CE2 3.45Å; W293-F324 VanDerWaalsContact CB-CE2 3.45Å; W293-F324 HydrophobicContact CB-CG 3.61Å; W293-F324 HydrophobicContact CB-CZ 3.93Å; W293-F324 HydrophobicContact CG-CD2 4.03Å; W293-F324 HydrophobicContact CG-CE2 4.24Å; F324-M326 HydrophobicContact CE2-SD 4.25Å
325W94.4Very high86.6Confident13 Ų1343.2 Ų43.25%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-92.4148.8167.6-68.790.3000111.3D270 L281 I282 R283 W297 W304 L315D270-W325 HydrophobicContact CB-CH2 3.95Å; D270-W325 HydrophobicContact CB-CZ3 4.12Å; L281-W325 HydrophobicContact CB-CE3 3.58Å; L281-W325 HydrophobicContact CB-CZ3 3.93Å; I282-W325 VanDerWaalsContact C-CE3 3.42Å; I282-W325 WeakPolarHBondContact O-CA 3.24Å; R283-W325 HydrophobicContact CB-CD2 3.71Å; R283-W325 HydrophobicContact CB-CE3 3.7Å; R283-W325 HydrophobicContact CB-CG 4.43Å; R283-W325 HydrophobicContact CB-CH2 3.82Å; R283-W325 HydrophobicContact CB-CZ2 3.79Å; R283-W325 HydrophobicContact CB-CZ3 3.78Å; R283-W325 HydrophobicContact CG-CD2 4.02Å; R283-W325 HydrophobicContact CG-CG 4.34Å; R283-W325 HydrophobicContact CG-CZ2 4.15Å; W297-W325 CarbonylContact C-O 3.48Å; W297-W325 VanDerWaalsContact C-O 3.25Å; W297-W325 HydrophobicContact CB-CB 4.26Å; W297-W325 VanDerWaalsContact O-O 3.12Å; W304-W325 HydrophobicContact CH2-CB 4.38Å; W304-W325 HydrophobicContact CH2-CG 4.16Å; W304-W325 HydrophobicContact CZ2-CB 3.84Å; W304-W325 AromaticContact CZ2-CD1 3.91Å; W304-W325 AromaticContact CZ2-CG 3.95Å; W304-W325 HydrophobicContact CZ2-CG 3.95Å; L315-W325 HydrophobicContact CB-CZ2 4.14Å; L315-W325 HydrophobicContact CD2-CH2 3.74Å; L315-W325 HydrophobicContact CD2-CZ2 3.5Å; L315-W325 HydrophobicContact CG-CZ2 4.36Å; L315-W325 PolarHBondContact O-NE1 3.3Å
326M96.1Very high87.1Confident0 Ų044.3 Ų44.30%022%0.22CC..EExtended strand (participates in β ladder)trans-142.9161.6167.267.4-170.9-47.100110L281 I282 I284 W293 F324 D330 F331 E334 Y335L281-M326 WeakPolarHBondContact CA-O 3.48Å; I282-M326 HydrophobicContact CG2-CG 3.73Å; I282-M326 PolarHBondContact N-O 2.94Å; I282-M326 PolarHBondContact O-N 3.37Å; I284-M326 HydrophobicContact CG1-CG 4.45Å; I284-M326 HydrophobicContact CG1-SD 4.09Å; W293-M326 HydrophobicContact CD2-CE 4.26Å; W293-M326 HydrophobicContact CE3-CE 4.28Å; W293-M326 HydrophobicContact CH2-CE 3.98Å; W293-M326 HydrophobicContact CZ2-CE 4Å; W293-M326 HydrophobicContact CZ3-CE 4.13Å; F324-M326 HydrophobicContact CE2-SD 4.25Å; M326-D330 HydrophobicContact CE-CB 3.67Å; M326-F331 HydrophobicContact CG-CB 4.22Å; M326-F331 HydrophobicContact SD-CB 4.04Å; M326-F331 HydrophobicContact SD-CD2 4.36Å; M326-E334 HydrophobicContact CE-CG 4.19Å; M326-Y335 HydrophobicContact CE-CE2 4.42Å; M326-Y335 HydrophobicContact SD-CD2 4.36Å; M326-Y335 HydrophobicContact SD-CE2 3.79Å
327S96.3Very high87.7Confident14 Ų1446.2 Ų46.210%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-65.9145172.276.80000110.1S329 D330 F331S327-S329 PolarHBondContact O-N 2.98Å; S327-D330 PolarHBondContact O-N 3.42Å; S327-D330 WeakPolarHBondContact OG-CB 3.49Å; S327-D330 PolarHBondContact OG-N 2.92Å; S327-D330 PolarHBondContact OG-OD2 3.03Å; S327-F331 PolarHBondContact O-N 3.18Å
328F96.6Very high88.6Confident16 Ų1642.3 Ų42.37%0.0720%0.203CC..Hα-helixtrans-59.9-33.5176.9-172.8-120.4000111.7L224 F225 I228 Q280 I282 D330 F331 L332L224-F328 HydrophobicContact CB-CZ 4.18Å; L224-F328 HydrophobicContact CD2-CZ 4.11Å; L224-F328 HydrophobicContact CG-CZ 4.11Å; F225-F328 HydrophobicContact CB-CD1 4.12Å; F225-F328 HydrophobicContact CB-CE1 3.84Å; F225-F328 HydrophobicContact CB-CZ 4.06Å; F225-F328 HydrophobicContact CD2-CB 4.05Å; F225-F328 AromaticContact CD2-CD1 3.97Å; F225-F328 HydrophobicContact CD2-CD1 3.97Å; F225-F328 AromaticContact CD2-CD2 3.7Å; F225-F328 HydrophobicContact CD2-CD2 3.7Å; F225-F328 HydrophobicContact CD2-CE1 4.33Å; F225-F328 HydrophobicContact CD2-CE2 4.09Å; F225-F328 AromaticContact CD2-CG 3.63Å; F225-F328 HydrophobicContact CD2-CG 3.63Å; F225-F328 HydrophobicContact CD2-CZ 4.39Å; F225-F328 HydrophobicContact CE2-CB 4.29Å; F225-F328 HydrophobicContact CE2-CD2 4.37Å; F225-F328 HydrophobicContact CE2-CG 4.31Å; F225-F328 HydrophobicContact CG-CD1 4.42Å; I228-F328 HydrophobicContact CD1-CE2 3.77Å; I228-F328 HydrophobicContact CD1-CZ 4.35Å; Q280-F328 HydrophobicContact CB-CB 3.85Å; Q280-F328 PolarHBondContact O-N 3.05Å; I282-F328 HydrophobicContact CD1-CD2 4.32Å; I282-F328 HydrophobicContact CD1-CE2 4.47Å; F328-D330 PolarHBondContact O-N 2.63Å; F328-F331 AromaticContact CD2-CD1 3.89Å; F328-F331 HydrophobicContact CD2-CD1 3.89Å; F328-F331 AromaticContact CE2-CD1 3.74Å; F328-F331 HydrophobicContact CE2-CD1 3.74Å; F328-F331 HydrophobicContact CE2-CE1 4.15Å; F328-F331 WeakPolarHBondContact O-CB 3.41Å; F328-F331 PolarHBondContact O-N 2.78Å; F328-L332 HydrophobicContact CD1-CD1 4.11Å; F328-L332 HydrophobicContact CD1-CG 4.45Å; F328-L332 HydrophobicContact CE1-CD1 3.81Å; F328-L332 HydrophobicContact CE1-CD2 4.33Å; F328-L332 HydrophobicContact CE1-CG 4.16Å; F328-L332 HydrophobicContact CE2-CD2 4.36Å; F328-L332 HydrophobicContact CZ-CD1 4.29Å; F328-L332 HydrophobicContact CZ-CD2 3.97Å; F328-L332 HydrophobicContact CZ-CG 4.2Å; F328-L332 WeakPolarHBondContact O-CG 3.22Å; F328-L332 PolarHBondContact O-N 3.27Å
329S95.3Very high89.4Confident88 Ų8834.7 Ų34.762%0.61518%0.175SC*.Hα-helixtrans-62.1-39.6173.2-580000113.2S327 R333S327-S329 PolarHBondContact O-N 2.98Å; S329-R333 PolarHBondContact O-N 3.02Å
330D96Very high90.4Very high21 Ų2132.9 Ų32.911%0.11216%0.162CC..Hα-helixtrans-70.1-40.6174.2-67.3-42.2000110.5W293 M326 S327 F328 L332 R333 E334W293-D330 HydrophobicContact CH2-CB 4.45Å; W293-D330 HydrophobicContact CZ2-CB 4.25Å; M326-D330 HydrophobicContact CE-CB 3.67Å; S327-D330 PolarHBondContact O-N 3.42Å; S327-D330 WeakPolarHBondContact OG-CB 3.49Å; S327-D330 PolarHBondContact OG-N 2.92Å; S327-D330 PolarHBondContact OG-OD2 3.03Å; F328-D330 PolarHBondContact O-N 2.63Å; D330-L332 VanDerWaalsContact C-N 3.35Å; D330-L332 PolarHBondContact O-N 2.83Å; D330-R333 PolarHBondContact O-N 2.63Å; D330-R333 IonicContact OD1-CZ 3.83Å; D330-R333 IonicContact OD1-NH1 2.82Å; D330-R333 PolarHBondContact OD1-NH1 2.86Å; D330-R333 IonicContact OD1-NH2 2.82Å; D330-R333 PolarHBondContact OD1-NH2 2.72Å; D330-E334 VanDerWaalsContact O-CG 3.29Å; D330-E334 WeakPolarHBondContact O-CG 3.31Å; D330-E334 PolarHBondContact O-N 2.73Å
331F96.4Very high91.5Very high0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-54.9-49175.9172.3-102.9000112.1L217 C240 I282 I284 M326 S327 F328 R333 E334 Y335 L338L217-F331 HydrophobicContact CD1-CD1 4.21Å; L217-F331 HydrophobicContact CD1-CE1 3.51Å; L217-F331 HydrophobicContact CD1-CE2 4.22Å; L217-F331 HydrophobicContact CD1-CZ 3.51Å; L217-F331 HydrophobicContact CD2-CE1 3.85Å; L217-F331 HydrophobicContact CD2-CZ 4.43Å; L217-F331 HydrophobicContact CG-CE1 4.33Å; C240-F331 HydrophobicContact CB-CE2 3.87Å; C240-F331 HydrophobicContact CB-CZ 3.98Å; I282-F331 HydrophobicContact CD1-CD1 3.96Å; I282-F331 HydrophobicContact CD1-CD2 4.17Å; I282-F331 HydrophobicContact CD1-CE1 3.95Å; I282-F331 HydrophobicContact CD1-CE2 4.18Å; I282-F331 HydrophobicContact CD1-CG 4.06Å; I282-F331 HydrophobicContact CD1-CZ 4.07Å; I282-F331 HydrophobicContact CG2-CB 3.59Å; I282-F331 HydrophobicContact CG2-CD2 4.19Å; I282-F331 HydrophobicContact CG2-CG 3.88Å; I284-F331 HydrophobicContact CD1-CD2 3.84Å; I284-F331 HydrophobicContact CD1-CE2 3.76Å; I284-F331 HydrophobicContact CG1-CD2 4.35Å; M326-F331 HydrophobicContact CG-CB 4.22Å; M326-F331 HydrophobicContact SD-CB 4.04Å; M326-F331 HydrophobicContact SD-CD2 4.36Å; S327-F331 PolarHBondContact O-N 3.18Å; F328-F331 AromaticContact CD2-CD1 3.89Å; F328-F331 HydrophobicContact CD2-CD1 3.89Å; F328-F331 AromaticContact CE2-CD1 3.74Å; F328-F331 HydrophobicContact CE2-CD1 3.74Å; F328-F331 HydrophobicContact CE2-CE1 4.15Å; F328-F331 WeakPolarHBondContact O-CB 3.41Å; F328-F331 PolarHBondContact O-N 2.78Å; F331-R333 PolarHBondContact O-N 2.88Å; F331-E334 PolarHBondContact O-N 2.77Å; F331-Y335 AromaticContact CD2-CD2 3.4Å; F331-Y335 HydrophobicContact CD2-CD2 3.4Å; F331-Y335 AromaticContact CD2-CE2 3.95Å; F331-Y335 HydrophobicContact CD2-CE2 3.95Å; F331-Y335 AromaticContact CD2-CG 3.86Å; F331-Y335 HydrophobicContact CD2-CG 3.86Å; F331-Y335 HydrophobicContact CE2-CD1 4.31Å; F331-Y335 AromaticContact CE2-CD2 3.76Å; F331-Y335 HydrophobicContact CE2-CD2 3.76Å; F331-Y335 HydrophobicContact CE2-CE2 4.36Å; F331-Y335 AromaticContact CE2-CG 3.73Å; F331-Y335 HydrophobicContact CE2-CG 3.73Å; F331-Y335 HydrophobicContact CG-CD2 4.32Å; F331-Y335 WeakPolarHBondContact O-CB 3.16Å; F331-Y335 PolarHBondContact O-N 3.49Å; F331-L338 HydrophobicContact CZ-CB 4.41Å; F331-L338 HydrophobicContact CZ-CD1 4.16Å
332L95.6Very high92.4Very high45 Ų4525.1 Ų25.124%0.23612%0.124CC..Hα-helixtrans-61.3-26.7176.7-66.9177000113.7L217 P220 L224 F328 D330L217-L332 HydrophobicContact CB-CD2 4.22Å; L217-L332 HydrophobicContact CD2-CD2 3.98Å; P220-L332 HydrophobicContact CB-CD2 3.8Å; P220-L332 HydrophobicContact CG-CD1 4.07Å; P220-L332 HydrophobicContact CG-CD2 4Å; L224-L332 HydrophobicContact CD2-CD2 4.25Å; F328-L332 HydrophobicContact CD1-CD1 4.11Å; F328-L332 HydrophobicContact CD1-CG 4.45Å; F328-L332 HydrophobicContact CE1-CD1 3.81Å; F328-L332 HydrophobicContact CE1-CD2 4.33Å; F328-L332 HydrophobicContact CE1-CG 4.16Å; F328-L332 HydrophobicContact CE2-CD2 4.36Å; F328-L332 HydrophobicContact CZ-CD1 4.29Å; F328-L332 HydrophobicContact CZ-CD2 3.97Å; F328-L332 HydrophobicContact CZ-CG 4.2Å; F328-L332 WeakPolarHBondContact O-CG 3.22Å; F328-L332 PolarHBondContact O-N 3.27Å; D330-L332 VanDerWaalsContact C-N 3.35Å; D330-L332 PolarHBondContact O-N 2.83Å
333R94.1Very high93Very high142 Ų14225.4 Ų25.454%0.53613%0.126SC..Hα-helixtrans-87-37.9-179-170179.566.9-122.5-12.2112.7S329 D330 F331S329-R333 PolarHBondContact O-N 3.02Å; D330-R333 PolarHBondContact O-N 2.63Å; D330-R333 IonicContact OD1-CZ 3.83Å; D330-R333 IonicContact OD1-NH1 2.82Å; D330-R333 PolarHBondContact OD1-NH1 2.86Å; D330-R333 IonicContact OD1-NH2 2.82Å; D330-R333 PolarHBondContact OD1-NH2 2.72Å; F331-R333 PolarHBondContact O-N 2.88Å
334E94.6Very high92.8Very high39 Ų3924.6 Ų24.618%0.18212%0.123CC..Hα-helixtrans-90.5-34.6-174.2-53.1-62.1158.600112.3R256 L258 W293 M326 D330 F331R256-E334 IonicContact CZ-OE1 2.64Å; R256-E334 IonicContact NH1-OE1 3.15Å; R256-E334 PolarHBondContact NH1-OE1 2.83Å; L258-E334 HydrophobicContact CD1-CB 3.65Å; L258-E334 HydrophobicContact CD1-CG 4.06Å; W293-E334 HydrophobicContact CH2-CG 3.96Å; W293-E334 HydrophobicContact CZ3-CG 3.95Å; M326-E334 HydrophobicContact CE-CG 4.19Å; D330-E334 VanDerWaalsContact O-CG 3.29Å; D330-E334 WeakPolarHBondContact O-CG 3.31Å; D330-E334 PolarHBondContact O-N 2.73Å; F331-E334 PolarHBondContact O-N 2.77Å
335Y93.9Very high92.1Very high5 Ų526.3 Ų26.32%0.0213%0.134CC..  trans-94.4152.7179.4-70.4-95.4000112.2L217 C240 I242 L258 Y264 I284 M326 F331L217-Y335 VanDerWaalsContact CD1-CB 3.46Å; C240-Y335 HydrophobicContact CB-CD1 4.01Å; C240-Y335 HydrophobicContact CB-CE1 4.46Å; I242-Y335 HydrophobicContact CD1-CD1 4.36Å; I242-Y335 HydrophobicContact CD1-CE1 4.21Å; I242-Y335 HydrophobicContact CG1-CD1 3.66Å; I242-Y335 HydrophobicContact CG1-CE1 3.9Å; I242-Y335 HydrophobicContact CG1-CG 4.17Å; L258-Y335 HydrophobicContact CD1-CE2 4.21Å; Y264-Y335 AromaticContact CD2-CE1 3.72Å; Y264-Y335 HydrophobicContact CD2-CE1 3.72Å; Y264-Y335 HydrophobicContact CE2-CE1 4.24Å; Y264-Y335 AromaticContact CG-CE1 3.99Å; Y264-Y335 HydrophobicContact CG-CE1 3.99Å; I284-Y335 WeakPolarHBondContact CG2-OH 3.02Å; M326-Y335 HydrophobicContact CE-CE2 4.42Å; M326-Y335 HydrophobicContact SD-CD2 4.36Å; M326-Y335 HydrophobicContact SD-CE2 3.79Å; F331-Y335 AromaticContact CD2-CD2 3.4Å; F331-Y335 HydrophobicContact CD2-CD2 3.4Å; F331-Y335 AromaticContact CD2-CE2 3.95Å; F331-Y335 HydrophobicContact CD2-CE2 3.95Å; F331-Y335 AromaticContact CD2-CG 3.86Å; F331-Y335 HydrophobicContact CD2-CG 3.86Å; F331-Y335 HydrophobicContact CE2-CD1 4.31Å; F331-Y335 AromaticContact CE2-CD2 3.76Å; F331-Y335 HydrophobicContact CE2-CD2 3.76Å; F331-Y335 HydrophobicContact CE2-CE2 4.36Å; F331-Y335 AromaticContact CE2-CG 3.73Å; F331-Y335 HydrophobicContact CE2-CG 3.73Å; F331-Y335 HydrophobicContact CG-CD2 4.32Å; F331-Y335 WeakPolarHBondContact O-CB 3.16Å; F331-Y335 PolarHBondContact O-N 3.49Å
336S92.6Very high91.2Very high34 Ų3429.4 Ų29.424%0.23815%0.151CC..  trans-102.8-37-177.1-52.30000112.3L217 S241 D243L217-S336 PolarHBondContact N-O 2.93Å; S241-S336 PolarHBondContact O-N 3.35Å; D243-S336 PolarHBondContact N-OG 3.47Å
337R90.9Very high90.1Very high72 Ų7229.4 Ų29.427%0.27215%0.151SC..EExtended strand (participates in β ladder)trans-139.2144.8-172.8-60.4173.4-166.1-178.16111R214 H215 C240 S241 D243R214-R337 VanDerWaalsContact NH2-NE 3.11Å; H215-R337 WeakPolarHBondContact O-CA 3.37Å; C240-R337 WeakPolarHBondContact CA-O 3.49Å; C240-R337 VanDerWaalsContact CB-O 3.29Å; C240-R337 WeakPolarHBondContact CB-O 3.25Å; S241-R337 PolarHBondContact N-O 2.86Å; S241-R337 PolarHBondContact O-N 2.98Å; D243-R337 IonicContact OD1-CZ 2.75Å; D243-R337 IonicContact OD1-NE 3.77Å; D243-R337 PolarHBondContact OD1-NE 2.81Å; D243-R337 IonicContact OD1-NH1 3.33Å; D243-R337 IonicContact OD1-NH2 3.36Å; D243-R337 PolarHBondContact OD1-NH2 3.48Å; D243-R337 IonicContact OD2-CZ 3.48Å; D243-R337 IonicContact OD2-NE 3.67Å; D243-R337 PolarHBondContact OD2-NE 3.38Å; D243-R337 IonicContact OD2-NH2 2.63Å; D243-R337 PolarHBondContact OD2-NH2 2.9Å
338L92.5Very high89Confident0 Ų029.1 Ų29.10%015%0.149CC..EExtended strand (participates in β ladder)trans-121.4138.1166.3173.280.5000108.3H215 L217 L224 I228 G239 C240 V266 F331 I340H215-L338 HydrophobicContact CB-CB 4.3Å; H215-L338 PolarHBondContact N-O 2.73Å; H215-L338 PolarHBondContact O-N 2.84Å; L217-L338 HydrophobicContact CD1-CB 4.45Å; L217-L338 HydrophobicContact CD2-CB 3.83Å; L217-L338 HydrophobicContact CG-CB 4.37Å; L224-L338 HydrophobicContact CD1-CD2 3.9Å; L224-L338 HydrophobicContact CG-CD2 4.42Å; I228-L338 HydrophobicContact CD1-CD2 3.7Å; I228-L338 HydrophobicContact CG1-CD2 3.66Å; G239-L338 CarbonylContact O-C 3.22Å; G239-L338 WeakPolarHBondContact O-CA 3.33Å; G239-L338 WeakPolarHBondContact O-CD1 3.29Å; C240-L338 HydrophobicContact CB-CD1 4.31Å; V266-L338 HydrophobicContact CG2-CD1 3.67Å; F331-L338 HydrophobicContact CZ-CB 4.41Å; F331-L338 HydrophobicContact CZ-CD1 4.16Å; L338-I340 HydrophobicContact CD2-CD1 3.93Å; L338-I340 HydrophobicContact CD2-CG1 4.04Å; L338-I340 HydrophobicContact CG-CG1 4.09Å
339E90.9Very high87.6Confident12 Ų1233 Ų336%0.05617%0.174CC..EExtended strand (participates in β ladder)trans-125.5128.1179.8-59.6178.1166.600107.9T200 I201 E213 L238 G239T200-E339 VanDerWaalsContact CB-OE2 3.29Å; T200-E339 WeakPolarHBondContact CB-OE2 3.35Å; I201-E339 HydrophobicContact CD1-CB 4.46Å; I201-E339 HydrophobicContact CD1-CG 3.97Å; I201-E339 HydrophobicContact CG1-CB 4.02Å; I201-E339 HydrophobicContact CG1-CG 3.89Å; E213-E339 CarbonylContact O-C 3.6Å; E213-E339 VanDerWaalsContact O-CA 3.25Å; E213-E339 WeakPolarHBondContact O-CA 3.48Å; L238-E339 CarbonylContact C-O 3.47Å; L238-E339 WeakPolarHBondContact CA-O 3.38Å; G239-E339 PolarHBondContact N-O 3.07Å; G239-E339 PolarHBondContact O-N 3.26Å
340I91.4Very high86.3Confident0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-123.9112.7-176.3-53.6-178000108.2A212 E213 I227 A231 L238 L338A212-I340 CarbonylContact C-O 3.55Å; A212-I340 VanDerWaalsContact CA-O 3.27Å; A212-I340 WeakPolarHBondContact CA-O 3.37Å; E213-I340 PolarHBondContact N-O 3.27Å; E213-I340 PolarHBondContact O-N 3.47Å; I227-I340 HydrophobicContact CG2-CD1 3.84Å; A231-I340 HydrophobicContact CB-CD1 4.49Å; A231-I340 HydrophobicContact CB-CG2 3.62Å; L238-I340 HydrophobicContact CD1-CG2 4.26Å; L238-I340 HydrophobicContact CD2-CG1 4.35Å; L238-I340 HydrophobicContact CG-CB 4.46Å; L238-I340 HydrophobicContact CG-CG1 4.11Å; L238-I340 HydrophobicContact CG-CG2 4.16Å; L338-I340 HydrophobicContact CD2-CD1 3.93Å; L338-I340 HydrophobicContact CD2-CG1 4.04Å; L338-I340 HydrophobicContact CG-CG1 4.09Å
341C92.3Very high85.1Confident0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-95.5106.5172.1-173.90000110.6F204 T208 I211 A212 S236 L237F204-C341 HydrophobicContact CB-CB 3.62Å; F204-C341 HydrophobicContact CD1-CB 4.41Å; F204-C341 HydrophobicContact CD2-CB 4.06Å; F204-C341 HydrophobicContact CG-CB 3.82Å; T208-C341 PolarHBondContact OG1-SG 3.49Å; I211-C341 CarbonylContact O-C 3.53Å; I211-C341 WeakPolarHBondContact O-CA 3.47Å; A212-C341 HydrophobicContact CB-CB 4.17Å; S236-C341 CarbonylContact C-O 3.58Å; S236-C341 VanDerWaalsContact CA-O 3.23Å; S236-C341 WeakPolarHBondContact CA-O 3.44Å; S236-C341 WeakPolarHBondContact CB-O 3.43Å; L237-C341 HydrophobicContact CB-CB 4.31Å; L237-C341 PolarHBondContact N-O 3.44Å; L237-C341 PolarHBondContact O-N 2.93Å
342N90.4Very high83.6Confident0 Ų046.7 Ų46.70%024%0.235CC..EExtended strand (participates in β ladder)trans-81.1122.9174.5-60.3-62.9000109.9G210 I211 E213 S236 I409 F503G210-N342 CarbonylContact C-O 3.5Å; G210-N342 VanDerWaalsContact C-O 3.31Å; G210-N342 WeakPolarHBondContact CA-O 3.45Å; I211-N342 HydrophobicContact CG2-CB 3.89Å; I211-N342 PolarHBondContact N-O 3.4Å; I211-N342 PolarHBondContact O-N 3.32Å; E213-N342 PolarHBondContact OE1-ND2 2.87Å; S236-N342 PolarHBondContact OG-OD1 2.84Å; N342-I409 WeakPolarHBondContact ND2-CD1 3.37Å; N342-F503 HydrophobicContact CB-CD1 4.34Å
343L86.9Confident82.4Confident5 Ų548.1 Ų48.13%0.02624%0.237CC..PPolyproline II helixtrans-75151-175-57.4178.9000112.1V120 T208 G235 L237 L348V120-L343 HydrophobicContact CG1-CD2 4.39Å; V120-L343 HydrophobicContact CG2-CD1 3.61Å; V120-L343 HydrophobicContact CG2-CD2 4.3Å; T208-L343 HydrophobicContact CG2-CD2 3.71Å; G235-L343 WeakPolarHBondContact O-CD1 3.33Å; L237-L343 HydrophobicContact CG-CD2 4.36Å; L343-L348 HydrophobicContact CD1-CD1 4.1Å; L343-L348 HydrophobicContact CD1-CD2 3.94Å; L343-L348 HydrophobicContact CD1-CG 4.05Å
344T80.9Confident81.5Confident9 Ų946.2 Ų46.26%0.05523%0.234CC..PPolyproline II helixtrans-63.2155.9173.461.20000110.8G209 D346 S347 E358 F503G209-T344 VanDerWaalsContact O-CG2 3.3Å; G209-T344 WeakPolarHBondContact O-CG2 3.36Å; T344-D346 WeakPolarHBondContact CB-OD1 3.38Å; T344-D346 PolarHBondContact O-N 3.38Å; T344-D346 PolarHBondContact OG1-OD1 3.04Å; T344-S347 PolarHBondContact N-OG 2.95Å; T344-S347 WeakPolarHBondContact O-CB 3.41Å; T344-S347 PolarHBondContact O-N 2.76Å; T344-S347 PolarHBondContact O-OG 2.88Å; T344-S347 PolarHBondContact OG1-OG 3.3Å; T344-E358 WeakPolarHBondContact CB-OE2 3.41Å; T344-E358 WeakPolarHBondContact CG2-OE2 3.23Å; T344-F503 HydrophobicContact CG2-CZ 4.3Å
345P76.3Confident80.9Confident37 Ų3748.3 Ų48.324%0.2424%0.243CC..THydrogen-bonded Turntrans-63.5-28.5-174.9-17.229.9000113S347 K355 W356 E358P345-S347 VanDerWaalsContact C-N 3.32Å; P345-K355 HydrophobicContact CB-CB 4.44Å; P345-K355 WeakPolarHBondContact O-CD 3.26Å; P345-W356 WeakPolarHBondContact CB-O 3.41Å; P345-W356 WeakPolarHBondContact CG-O 3.49Å; P345-E358 WeakPolarHBondContact CD-OE2 3.48Å; P345-E358 HydrophobicContact CG-CB 3.84Å
346D75.1Confident80.6Confident78 Ų7848.8 Ų48.842%0.41725%0.245SC..THydrogen-bonded Turntrans-77-19.8176.970.6-55.7000112.1R123 T344 L348R123-D346 IonicContact CZ-OD2 2.67Å; R123-D346 IonicContact NH1-OD2 2.68Å; R123-D346 PolarHBondContact NH1-OD2 2.9Å; R123-D346 VanDerWaalsContact NH2-C 3.3Å; R123-D346 PolarHBondContact NH2-O 3.29Å; R123-D346 IonicContact NH2-OD2 2.92Å; T344-D346 WeakPolarHBondContact CB-OD1 3.38Å; T344-D346 PolarHBondContact O-N 3.38Å; T344-D346 PolarHBondContact OG1-OD1 3.04Å; D346-L348 VanDerWaalsContact C-N 3.28Å; D346-L348 PolarHBondContact O-N 2.89Å
347S72.9Confident80.3Confident1 Ų147.6 Ų47.61%0.00724%0.237CC..SBendtrans-54.1-36.9-176-75.10000115.3R123 T344 P345R123-S347 PolarHBondContact NE-O 3.45Å; R123-S347 VanDerWaalsContact NH1-CA 3.34Å; T344-S347 PolarHBondContact N-OG 2.95Å; T344-S347 WeakPolarHBondContact O-CB 3.41Å; T344-S347 PolarHBondContact O-N 2.76Å; T344-S347 PolarHBondContact O-OG 2.88Å; T344-S347 PolarHBondContact OG1-OG 3.3Å; P345-S347 VanDerWaalsContact C-N 3.32Å
348L73.8Confident80.2Confident7 Ų746.2 Ų46.24%0.03723%0.234CC..  trans-116.2118.2-175.2-57.5171.9000108.9N117 V120 R234 L343 D346 D350 Y353 K355N117-L348 WeakPolarHBondContact ND2-CD2 3.37Å; V120-L348 HydrophobicContact CG2-CD2 4.37Å; R234-L348 VanDerWaalsContact O-CD1 3.24Å; R234-L348 WeakPolarHBondContact O-CD1 3.34Å; L343-L348 HydrophobicContact CD1-CD1 4.1Å; L343-L348 HydrophobicContact CD1-CD2 3.94Å; L343-L348 HydrophobicContact CD1-CG 4.05Å; D346-L348 VanDerWaalsContact C-N 3.28Å; D346-L348 PolarHBondContact O-N 2.89Å; L348-D350 VanDerWaalsContact C-N 3.35Å; L348-Y353 HydrophobicContact CB-CD2 4.21Å; L348-Y353 HydrophobicContact CD1-CD1 4.22Å; L348-Y353 HydrophobicContact CD1-CD2 3.77Å; L348-Y353 HydrophobicContact CD1-CE2 4.43Å; L348-Y353 HydrophobicContact CD1-CG 3.64Å; L348-Y353 HydrophobicContact CD2-CD2 4.44Å; L348-Y353 HydrophobicContact CD2-CE2 4.5Å; L348-Y353 HydrophobicContact CG-CD2 4.36Å; L348-K355 WeakPolarHBondContact O-CE 3.44Å; L348-K355 PolarHBondContact O-NZ 2.96Å
349T66.7Low79.9Confident99 Ų9947.8 Ų47.861%0.60724%0.244SC*.  trans-81.6-19.5178.949.70000112.6
350D68.5Low79.7Confident68 Ų6850.8 Ų50.836%0.36426%0.258SS..  trans-80.5135.6-177.8-62.6-26000111.8Q119 L348 E352 Y353Q119-D350 PolarHBondContact NE2-OD2 3.16Å; L348-D350 VanDerWaalsContact C-N 3.35Å; D350-E352 HydrophobicContact CB-CB 4.49Å; D350-E352 PolarHBondContact O-N 3.29Å; D350-Y353 HydrophobicContact CB-CD2 4.46Å
351D69.5Low79.4Confident155 Ų15552.1 Ų52.183%0.82926%0.263SS*.THydrogen-bonded Turntrans-72.7-2.9175.3-66.7-34.4000112.9Y353D351-Y353 PolarHBondContact O-N 2.79Å
352E64.9Low79.2Confident172 Ų17254.3 Ų54.380%0.80427%0.273SS*.THydrogen-bonded Turntrans-66.8-25.8177.1-64.8-168.4168.100112.5D350D350-E352 HydrophobicContact CB-CB 4.49Å; D350-E352 PolarHBondContact O-N 3.29Å
353Y70.3Confident79.1Confident75 Ų7555.4 Ų55.429%0.29428%0.279SS..SBendtrans-98.7136.5-178.7-62.5-77.1000111.8K233 L348 D350 D351 K355K233-Y353 WeakPolarHBondContact O-CD1 3.49Å; L348-Y353 HydrophobicContact CB-CD2 4.21Å; L348-Y353 HydrophobicContact CD1-CD1 4.22Å; L348-Y353 HydrophobicContact CD1-CD2 3.77Å; L348-Y353 HydrophobicContact CD1-CE2 4.43Å; L348-Y353 HydrophobicContact CD1-CG 3.64Å; L348-Y353 HydrophobicContact CD2-CD2 4.44Å; L348-Y353 HydrophobicContact CD2-CE2 4.5Å; L348-Y353 HydrophobicContact CG-CD2 4.36Å; D350-Y353 HydrophobicContact CB-CD2 4.46Å; D351-Y353 PolarHBondContact O-N 2.79Å; Y353-K355 PolarHBondContact O-N 2.84Å
354Q75.6Confident79.3Confident102 Ų10255.2 Ų55.248%0.47728%0.278SS..PPolyproline II helixtrans-68.6131.3165.2-69.7-179.4-8.900109.5R234R234-Q354 HydrophobicContact CG-CB 3.98Å; R234-Q354 WeakPolarHBondContact CG-O 3.32Å
355K83.1Confident79.9Confident83 Ų8354.9 Ų54.936%0.36128%0.276SS..PPolyproline II helixtrans-97.1148.3-178.3-63.9177.6177.6-172.40110.8R234 P345 L348 Y353R234-K355 PolarHBondContact NH1-O 3.14Å; P345-K355 HydrophobicContact CB-CB 4.44Å; P345-K355 WeakPolarHBondContact O-CD 3.26Å; L348-K355 WeakPolarHBondContact O-CE 3.44Å; L348-K355 PolarHBondContact O-NZ 2.96Å; Y353-K355 PolarHBondContact O-N 2.84Å
356W86.6Confident80.6Confident15 Ų1557 Ų576%0.05728%0.279CS..PPolyproline II helixtrans-73.6155.5165.7-69.597.4000109.6P345 T407 I409 F503 S504 E505P345-W356 WeakPolarHBondContact CB-O 3.41Å; P345-W356 WeakPolarHBondContact CG-O 3.49Å; W356-T407 HydrophobicContact CH2-CG2 4.28Å; W356-T407 HydrophobicContact CZ3-CG2 4.34Å; W356-I409 HydrophobicContact CH2-CD1 3.68Å; W356-I409 HydrophobicContact CH2-CG1 4.47Å; W356-I409 HydrophobicContact CZ2-CD1 4Å; W356-I409 HydrophobicContact CZ3-CD1 4Å; W356-F503 HydrophobicContact CB-CD1 3.62Å; W356-F503 HydrophobicContact CB-CE1 4.27Å; W356-F503 HydrophobicContact CB-CG 4.44Å; W356-F503 HydrophobicContact CD2-CB 4.29Å; W356-F503 HydrophobicContact CD2-CD1 4.18Å; W356-F503 HydrophobicContact CE3-CB 3.97Å; W356-F503 AromaticContact CG-CD1 3.69Å; W356-F503 HydrophobicContact CG-CD1 3.69Å; W356-F503 HydrophobicContact CG-CE1 4.47Å; W356-S504 VanDerWaalsContact CE3-C 3.44Å; W356-E505 HydrophobicContact CZ3-CB 4.06Å
357A86.6Confident81.3Confident9 Ų954.3 Ų54.37%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-91132.7156.200000107.5F503 S504 K506A357-F503 CarbonylContact O-C 3.32Å; A357-F503 VanDerWaalsContact O-CA 3.31Å; A357-F503 WeakPolarHBondContact O-CA 3.13Å; A357-S504 PolarHBondContact N-O 3.46Å; A357-S504 PolarHBondContact O-N 2.85Å; A357-K506 WeakPolarHBondContact CB-O 3.29Å
358E88.4Confident81.8Confident43 Ų4354.7 Ų54.720%0.20127%0.271CS..EExtended strand (participates in β ladder)trans-118.3141.7-177.2179.1173.5-155.800110.3T344 P345 V502 F503T344-E358 WeakPolarHBondContact CB-OE2 3.41Å; T344-E358 WeakPolarHBondContact CG2-OE2 3.23Å; P345-E358 WeakPolarHBondContact CD-OE2 3.48Å; P345-E358 HydrophobicContact CG-CB 3.84Å; E358-V502 WeakPolarHBondContact CA-O 3.27Å; E358-F503 HydrophobicContact CB-CE2 4.39Å; E358-F503 HydrophobicContact CB-CZ 4.45Å; E358-F503 HydrophobicContact CG-CD2 4.27Å; E358-F503 HydrophobicContact CG-CE2 3.73Å; E358-F503 HydrophobicContact CG-CZ 4.04Å; E358-F503 VanDerWaalsContact OE1-CE2 3.31Å; E358-F503 WeakPolarHBondContact OE1-CE2 3.15Å; E358-F503 WeakPolarHBondContact OE1-CZ 3.42Å
359T86.6Confident82.5Confident34 Ų3454.8 Ų54.821%0.20927%0.271CS..EExtended strand (participates in β ladder)trans-138.5138.4162.3-51.60000111.2R501 V502 F510T359-R501 CarbonylContact O-C 3.58Å; T359-R501 VanDerWaalsContact O-CA 3.28Å; T359-R501 WeakPolarHBondContact O-CA 3.5Å; T359-V502 PolarHBondContact N-O 2.79Å; T359-V502 PolarHBondContact O-N 2.91Å; T359-F510 HydrophobicContact CG2-CB 3.48Å; T359-F510 VanDerWaalsContact CG2-CB 3.48Å; T359-F510 HydrophobicContact CG2-CD1 3.33Å; T359-F510 HydrophobicContact CG2-CD2 3.69Å; T359-F510 HydrophobicContact CG2-CE1 3.9Å; T359-F510 HydrophobicContact CG2-CE2 4.21Å; T359-F510 HydrophobicContact CG2-CG 3.2Å; T359-F510 HydrophobicContact CG2-CZ 4.32Å
360E87.7Confident83.6Confident75 Ų7550 Ų5035%0.3524%0.242SC..EExtended strand (participates in β ladder)trans-120152.5-176.558.7177.7-121.400112.9K14 Y499 V500K14-E360 WeakPolarHBondContact CE-OE1 3.36Å; K14-E360 IonicContact NZ-OE1 2.67Å; K14-E360 PolarHBondContact NZ-OE1 2.96Å; E360-Y499 HydrophobicContact CB-CE1 4.41Å; E360-Y499 HydrophobicContact CB-CE2 3.9Å; E360-Y499 WeakPolarHBondContact CB-OH 3.5Å; E360-Y499 PolarHBondContact OE2-OH 3.24Å; E360-V500 CarbonylContact C-O 3.49Å; E360-V500 WeakPolarHBondContact CA-O 3.49Å
361F84.9Confident84.8Confident27 Ų2747 Ų4712%0.11823%0.227CC..EExtended strand (participates in β ladder)trans-148.3134.9178-176.6-117.5000111.1E363 P385 F387 F498 Y499 V500 F510 V512F361-E363 HydrophobicContact CD1-CB 4.25Å; F361-E363 HydrophobicContact CD1-CG 4.37Å; F361-E363 HydrophobicContact CE1-CB 3.52Å; F361-E363 HydrophobicContact CE1-CG 3.33Å; F361-E363 HydrophobicContact CE2-CG 3.99Å; F361-E363 HydrophobicContact CZ-CB 3.88Å; F361-E363 HydrophobicContact CZ-CG 3.11Å; F361-P385 HydrophobicContact CE1-CB 4.4Å; F361-F387 AromaticContact CD1-CD1 3.88Å; F361-F387 HydrophobicContact CD1-CD1 3.88Å; F361-F387 HydrophobicContact CD1-CE1 4.16Å; F361-F387 HydrophobicContact CE1-CD1 4.06Å; F361-F498 HydrophobicContact CD1-CE2 4.44Å; F361-Y499 CarbonylContact O-C 3.49Å; F361-Y499 WeakPolarHBondContact O-CA 3.46Å; F361-Y499 WeakPolarHBondContact O-CD2 3.25Å; F361-V500 HydrophobicContact CB-CB 4.44Å; F361-V500 PolarHBondContact N-O 3.35Å; F361-V500 PolarHBondContact O-N 3.41Å; F361-F510 HydrophobicContact CB-CZ 3.99Å; F361-F510 HydrophobicContact CG-CZ 4.37Å; F361-V512 HydrophobicContact CD2-CG2 3.56Å; F361-V512 HydrophobicContact CE2-CB 4.21Å; F361-V512 HydrophobicContact CE2-CG1 3.76Å; F361-V512 HydrophobicContact CE2-CG2 3.33Å; F361-V512 HydrophobicContact CZ-CG1 3.84Å; F361-V512 HydrophobicContact CZ-CG2 4.14Å
362E88.1Confident86Confident46 Ų4639.6 Ų39.622%0.21519%0.187CC..EExtended strand (participates in β ladder)trans-119.1124.4176.2175171-175.200110.3K415 Y499E362-K415 WeakPolarHBondContact OE1-CE 3.48Å; E362-K415 IonicContact OE1-NZ 3.18Å; E362-K415 PolarHBondContact OE1-NZ 2.79Å; E362-K415 IonicContact OE2-NZ 2.83Å; E362-K415 PolarHBondContact OE2-NZ 3.41Å; E362-Y499 HydrophobicContact CB-CD2 4.24Å
363E88.7Confident87.5Confident23 Ų2331.4 Ų31.411%0.10715%0.149CC..EExtended strand (participates in β ladder)trans-148.1-178.9176-103.2-57.9168.600112F361 P385 F498F361-E363 HydrophobicContact CD1-CB 4.25Å; F361-E363 HydrophobicContact CD1-CG 4.37Å; F361-E363 HydrophobicContact CE1-CB 3.52Å; F361-E363 HydrophobicContact CE1-CG 3.33Å; F361-E363 HydrophobicContact CE2-CG 3.99Å; F361-E363 HydrophobicContact CZ-CB 3.88Å; F361-E363 HydrophobicContact CZ-CG 3.11Å; E363-P385 HydrophobicContact CB-CB 4.36Å; E363-P385 HydrophobicContact CB-CG 4.25Å; E363-P385 HydrophobicContact CG-CB 4.36Å; E363-P385 HydrophobicContact CG-CG 4.48Å; E363-F498 HydrophobicContact CB-CE1 3.78Å; E363-F498 HydrophobicContact CB-CE2 3.93Å; E363-F498 HydrophobicContact CB-CZ 3.38Å; E363-F498 PolarHBondContact N-O 3.39Å; E363-F498 VanDerWaalsContact N-O 3.14Å; E363-F498 WeakPolarHBondContact O-CD1 3.33Å; E363-F498 PolarHBondContact O-N 2.91Å; E363-F498 VanDerWaalsContact O-O 3.12Å
364T90.6Very high88.8Confident2 Ų228 Ų281%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-133.2137.6-175.966.80000112.2S370 G496 D497 Q645T364-S370 PolarHBondContact O-OG 2.83Å; T364-G496 CarbonylContact C-O 3.51Å; T364-G496 WeakPolarHBondContact CA-O 3.38Å; T364-D497 WeakPolarHBondContact CB-OD1 3.33Å; T364-D497 HydrophobicContact CG2-CB 4.07Å; T364-D497 WeakPolarHBondContact CG2-OD1 3.13Å; T364-Q645 PolarHBondContact O-NE2 3.34Å; T364-Q645 PolarHBondContact OG1-NE2 3.35Å; T364-Q645 PolarHBondContact OG1-OE1 2.93Å
365W93Very high89.7Confident2 Ų227.2 Ų27.21%0.00813%0.128CC..EExtended strand (participates in β ladder)trans-84.4123.7161-58.5-61.8000108.6S370 A371 L412 I430 P487 T489 K494 N495 G496 F498W365-S370 WeakPolarHBondContact CA-OG 3.41Å; W365-A371 HydrophobicContact CB-CB 4.01Å; W365-L412 HydrophobicContact CH2-CD1 3.96Å; W365-L412 HydrophobicContact CH2-CD2 4.2Å; W365-L412 HydrophobicContact CH2-CG 4.37Å; W365-L412 HydrophobicContact CZ2-CD1 4.12Å; W365-L412 HydrophobicContact CZ2-CD2 4.27Å; W365-I430 HydrophobicContact CH2-CB 4.46Å; W365-I430 HydrophobicContact CH2-CG2 3.72Å; W365-I430 HydrophobicContact CZ3-CG2 3.86Å; W365-P487 HydrophobicContact CZ2-CB 4.11Å; W365-P487 PolarHBondContact NE1-O 3.1Å; W365-T489 HydrophobicContact CD2-CG2 4.17Å; W365-T489 HydrophobicContact CE3-CG2 3.84Å; W365-T489 HydrophobicContact CZ3-CG2 4.03Å; W365-K494 WeakPolarHBondContact CB-O 3.5Å; W365-N495 WeakPolarHBondContact O-CA 3.38Å; W365-G496 PolarHBondContact N-O 2.86Å; W365-G496 PolarHBondContact O-N 3.32Å; W365-F498 AromaticContact CD1-CE1 3.89Å; W365-F498 AromaticContact CD2-CD1 3.44Å; W365-F498 HydrophobicContact CD2-CD1 3.44Å; W365-F498 VanDerWaalsContact CD2-CD1 3.44Å; W365-F498 AromaticContact CD2-CE1 3.82Å; W365-F498 HydrophobicContact CD2-CE1 3.82Å; W365-F498 HydrophobicContact CD2-CG 4.34Å; W365-F498 AromaticContact CE2-CD1 3.4Å; W365-F498 VanDerWaalsContact CE2-CD1 3.4Å; W365-F498 AromaticContact CE2-CE1 3.55Å; W365-F498 HydrophobicContact CE3-CB 4.19Å; W365-F498 AromaticContact CE3-CD1 3.65Å; W365-F498 HydrophobicContact CE3-CD1 3.65Å; W365-F498 HydrophobicContact CE3-CE1 4.47Å; W365-F498 HydrophobicContact CE3-CG 4.27Å; W365-F498 HydrophobicContact CG-CD1 4.06Å; W365-F498 HydrophobicContact CG-CE1 4.05Å; W365-F498 HydrophobicContact CH2-CB 3.6Å; W365-F498 AromaticContact CH2-CD1 3.83Å; W365-F498 HydrophobicContact CH2-CD1 3.83Å; W365-F498 AromaticContact CH2-CG 3.74Å; W365-F498 HydrophobicContact CH2-CG 3.74Å; W365-F498 HydrophobicContact CZ2-CB 4.2Å; W365-F498 AromaticContact CZ2-CD1 3.62Å; W365-F498 HydrophobicContact CZ2-CD1 3.62Å; W365-F498 HydrophobicContact CZ2-CD2 4.36Å; W365-F498 HydrophobicContact CZ2-CE1 4.02Å; W365-F498 AromaticContact CZ2-CG 3.8Å; W365-F498 HydrophobicContact CZ2-CG 3.8Å; W365-F498 HydrophobicContact CZ3-CB 3.6Å; W365-F498 AromaticContact CZ3-CD1 3.84Å; W365-F498 HydrophobicContact CZ3-CD1 3.84Å; W365-F498 AromaticContact CZ3-CG 3.99Å; W365-F498 HydrophobicContact CZ3-CG 3.99Å; W365-F498 AromaticContact NE1-CD1 3.94Å; W365-F498 AromaticContact NE1-CE1 3.58Å
366R90.8Very high90.2Very high80 Ų8028.7 Ų28.730%0.30214%0.14SC..  trans-127.2127.9175.7-65.7-63.9-177.1-108.51.7109.7G368 V369 S370 A371 N495 D497 Q645R366-G368 PolarHBondContact O-N 3.43Å; R366-V369 PolarHBondContact O-N 3.23Å; R366-S370 PolarHBondContact N-OG 3.07Å; R366-S370 PolarHBondContact O-N 3.43Å; R366-A371 WeakPolarHBondContact O-CB 3.31Å; R366-A371 PolarHBondContact O-N 3.03Å; R366-N495 WeakPolarHBondContact CA-OD1 3.17Å; R366-D497 IonicContact CZ-OD1 3.37Å; R366-D497 IonicContact NH1-OD1 3.44Å; R366-D497 PolarHBondContact NH1-OD1 2.8Å; R366-D497 IonicContact NH2-OD1 2.85Å; R366-D497 PolarHBondContact NH2-OD1 2.77Å; R366-D497 IonicContact NH2-OD2 3.57Å; R366-Q645 HydrophobicContact CB-CG 3.96Å; R366-Q645 HydrophobicContact CG-CG 3.91Å
367S89.7Confident90.7Very high22 Ų2231.9 Ų31.915%0.15415%0.153CC..THydrogen-bonded Turntrans-52.9134.3179.9-161.10000110.5V369 N493 N495 L656S367-V369 PolarHBondContact O-N 3.41Å; S367-N493 WeakPolarHBondContact OG-CA 3.45Å; S367-N493 WeakPolarHBondContact OG-CB 3.37Å; S367-N493 PolarHBondContact OG-OD1 3.14Å; S367-N493 VanDerWaalsContact OG-OD1 3.07Å; S367-N495 PolarHBondContact N-OD1 2.98Å; S367-L656 WeakPolarHBondContact OG-CD1 3.22Å
368G83.8Confident91Very high10 Ų1033.4 Ų33.410%0.10316%0.162CC..THydrogen-bonded Turntrans77.3-11.3-177.400000116.2R366 N493 S625R366-G368 PolarHBondContact O-N 3.43Å; G368-N493 PolarHBondContact N-OD1 2.86Å; G368-S625 WeakPolarHBondContact CA-OG 3.06Å; G368-S625 WeakPolarHBondContact O-CB 3.32Å; G368-S625 PolarHBondContact O-OG 2.85Å
369V87.4Confident91Very high8 Ų836.2 Ų36.25%0.04818%0.179CC..THydrogen-bonded Turntrans-119.4-77.6179.5-176.30000110.9R366 S367 T383 H644 Q645 V648R366-V369 PolarHBondContact O-N 3.23Å; S367-V369 PolarHBondContact O-N 3.41Å; V369-T383 WeakPolarHBondContact O-CB 3.44Å; V369-T383 PolarHBondContact O-OG1 2.85Å; V369-H644 HydrophobicContact CG1-CB 3.59Å; V369-Q645 HydrophobicContact CB-CG 4.07Å; V369-Q645 HydrophobicContact CG1-CG 3.77Å; V369-V648 HydrophobicContact CG2-CB 3.48Å; V369-V648 VanDerWaalsContact CG2-CB 3.48Å; V369-V648 HydrophobicContact CG2-CG1 3.99Å; V369-V648 HydrophobicContact CG2-CG2 3.33Å
370S91.3Very high91.3Very high0 Ų036.3 Ų36.30%018%0.179CC..THydrogen-bonded Turntrans-106.6-6.7-171.956.70000113.4T364 W365 R366 G372 T383 N384 Q645T364-S370 PolarHBondContact O-OG 2.83Å; W365-S370 WeakPolarHBondContact CA-OG 3.41Å; R366-S370 PolarHBondContact N-OG 3.07Å; R366-S370 PolarHBondContact O-N 3.43Å; S370-G372 PolarHBondContact O-N 3.33Å; S370-T383 WeakPolarHBondContact CA-O 3.41Å; S370-N384 WeakPolarHBondContact O-CA 3.25Å; S370-N384 PolarHBondContact O-OD1 2.82Å; S370-N384 VanDerWaalsContact O-OD1 3.09Å; S370-Q645 PolarHBondContact OG-NE2 2.86Å; S370-Q645 VanDerWaalsContact OG-NE2 3.11Å
371A93.9Very high91.7Very high4 Ų432.9 Ų32.93%0.03316%0.163CC..  trans-83.265.2176.600000111.6W365 R366 G373 P492 N493 K494W365-A371 HydrophobicContact CB-CB 4.01Å; R366-A371 WeakPolarHBondContact O-CB 3.31Å; R366-A371 PolarHBondContact O-N 3.03Å; A371-G373 VanDerWaalsContact C-N 3.3Å; A371-G373 PolarHBondContact O-N 2.78Å; A371-P492 WeakPolarHBondContact O-CA 3.29Å; A371-N493 PolarHBondContact O-N 3.39Å; A371-K494 WeakPolarHBondContact CB-O 3.48Å
372G94.8Very high92.1Very high0 Ų032.7 Ų32.70%016%0.161CC..  trans-74-14.6-171.100000115.3S370 T380 F381 N384S370-G372 PolarHBondContact O-N 3.33Å; G372-T380 WeakPolarHBondContact CA-O 3.31Å; G372-T380 CarbonylContact O-C 3.52Å; G372-T380 VanDerWaalsContact O-CB 3.31Å; G372-T380 WeakPolarHBondContact O-CB 3.44Å; G372-T380 PolarHBondContact O-OG1 3.32Å; G372-F381 PolarHBondContact O-N 3.04Å; G372-N384 WeakPolarHBondContact CA-ND2 3.46Å; G372-N384 PolarHBondContact N-OD1 3.14Å
373G95.9Very high92.3Very high0 Ų030.9 Ų30.90%015%0.153CC..  trans72.1-176.7-172.800000111.8A371 F381 N384 S488 T489A371-G373 VanDerWaalsContact C-N 3.3Å; A371-G373 PolarHBondContact O-N 2.78Å; G373-F381 VanDerWaalsContact O-CD2 3.26Å; G373-F381 WeakPolarHBondContact O-CD2 3.07Å; G373-N384 PolarHBondContact O-ND2 3.34Å; G373-S488 VanDerWaalsContact O-CB 3.32Å; G373-S488 WeakPolarHBondContact O-CB 3.4Å; G373-T489 CarbonylContact C-O 3.57Å; G373-T489 VanDerWaalsContact CA-O 3.29Å; G373-T489 WeakPolarHBondContact CA-O 3.39Å
374C96.4Very high92.6Very high3 Ų329.8 Ų29.82%0.0215%0.148CC..  trans-80.8178.7-177.472.80000113.2N376 Y377 F466 T489 F490C374-N376 PolarHBondContact O-N 3.2Å; C374-Y377 PolarHBondContact O-N 2.73Å; C374-F466 HydrophobicContact CB-CE1 3.69Å; C374-F466 HydrophobicContact CB-CE2 3.98Å; C374-F466 HydrophobicContact CB-CZ 3.38Å; C374-T489 PolarHBondContact N-O 2.92Å; C374-F490 HydrophobicContact CB-CD2 4.49Å; C374-F490 PolarHBondContact N-O 3.44Å; C374-F490 PolarHBondContact SG-O 3.41Å
375R94.9Very high92.8Very high85 Ų8529.8 Ų29.832%0.32115%0.149SC..THydrogen-bonded Turntrans-59-16.1-176.6-174.156.6-172.975.7-1.5114.7Y377 F381 Y435 F454R375-Y377 PolarHBondContact O-N 3.09Å; R375-F381 HydrophobicContact CB-CD2 4.37Å; R375-F381 HydrophobicContact CB-CE2 4.33Å; R375-F381 HydrophobicContact CB-CZ 4.46Å; R375-F381 VanDerWaalsContact N-CD2 3.35Å; R375-Y435 WeakPolarHBondContact CD-OH 3.43Å; R375-F454 PolarHBondContact NE-O 3.37Å; R375-F454 PolarHBondContact NH2-O 3.15Å
376N95Very high92.9Very high115 Ų11529.8 Ų29.862%0.61515%0.149SC*.THydrogen-bonded Turntrans-66.6-16.7172.6-63.5-18.2000112.9C374 P378C374-N376 PolarHBondContact O-N 3.2Å; N376-P378 VanDerWaalsContact C-CD 3.41Å; N376-P378 WeakPolarHBondContact O-CD 3.19Å
377Y95.2Very high92.9Very high82 Ų8226 Ų2632%0.32213%0.134SC..  trans-112.670.1179.2-56.7-87.4000110.1C374 R375 D379 T380 F381 F490 P492C374-Y377 PolarHBondContact O-N 2.73Å; R375-Y377 PolarHBondContact O-N 3.09Å; Y377-D379 PolarHBondContact O-N 3.06Å; Y377-D379 VanDerWaalsContact O-N 3.1Å; Y377-T380 PolarHBondContact O-N 3.3Å; Y377-T380 VanDerWaalsContact O-N 3.14Å; Y377-T380 PolarHBondContact O-OG1 2.9Å; Y377-F381 VanDerWaalsContact O-CB 3.31Å; Y377-F381 WeakPolarHBondContact O-CB 3.45Å; Y377-F381 PolarHBondContact O-N 3.04Å; Y377-F490 VanDerWaalsContact CE2-O 3.27Å; Y377-F490 WeakPolarHBondContact CE2-O 3.3Å; Y377-P492 HydrophobicContact CD1-CG 3.99Å; Y377-P492 HydrophobicContact CE1-CG 4.2Å; Y377-P492 HydrophobicContact CG-CG 4.21Å
378P93.3Very high93Very high41 Ų4125.2 Ų25.227%0.26613%0.128SC..THydrogen-bonded Turntrans-62.7-21.9-171.626.4-36.1000114.3N376 T380 L455N376-P378 VanDerWaalsContact C-CD 3.41Å; N376-P378 WeakPolarHBondContact O-CD 3.19Å; P378-T380 VanDerWaalsContact C-N 3.28Å; P378-T380 PolarHBondContact O-N 3.21Å; P378-L455 HydrophobicContact CB-CD2 3.96Å
379D89.6Confident93.5Very high102 Ų10225 Ų2555%0.54513%0.125SC..THydrogen-bonded Turntrans-69.3-28179-63.4-42.4000112.8Y377 W382 K451Y377-D379 PolarHBondContact O-N 3.06Å; Y377-D379 VanDerWaalsContact O-N 3.1Å; D379-W382 PolarHBondContact O-NE1 3.02Å; D379-K451 WeakPolarHBondContact OD1-CE 3.09Å; D379-K451 IonicContact OD1-NZ 2.64Å; D379-K451 PolarHBondContact OD1-NZ 2.92Å
380T91.9Very high93.7Very high35 Ų3527.6 Ų27.622%0.21514%0.136CC..THydrogen-bonded Turntrans-122.4-20-174.852.40000113.2G372 Y377 P378 W382 T383G372-T380 WeakPolarHBondContact CA-O 3.31Å; G372-T380 CarbonylContact O-C 3.52Å; G372-T380 VanDerWaalsContact O-CB 3.31Å; G372-T380 WeakPolarHBondContact O-CB 3.44Å; G372-T380 PolarHBondContact O-OG1 3.32Å; Y377-T380 PolarHBondContact O-N 3.3Å; Y377-T380 VanDerWaalsContact O-N 3.14Å; Y377-T380 PolarHBondContact O-OG1 2.9Å; P378-T380 VanDerWaalsContact C-N 3.28Å; P378-T380 PolarHBondContact O-N 3.21Å; T380-W382 PolarHBondContact O-N 2.71Å; T380-T383 WeakPolarHBondContact O-CB 3.39Å; T380-T383 PolarHBondContact O-N 2.68Å; T380-T383 PolarHBondContact O-OG1 2.81Å
381F95.8Very high93.7Very high3 Ų327.9 Ų27.91%0.01314%0.137CC..G310 helixtrans-51.2-39.5-177.6176.3-107000113.4G372 G373 R375 Y377 T383 N384 A433 Y435 F454 V486G372-F381 PolarHBondContact O-N 3.04Å; G373-F381 VanDerWaalsContact O-CD2 3.26Å; G373-F381 WeakPolarHBondContact O-CD2 3.07Å; R375-F381 HydrophobicContact CB-CD2 4.37Å; R375-F381 HydrophobicContact CB-CE2 4.33Å; R375-F381 HydrophobicContact CB-CZ 4.46Å; R375-F381 VanDerWaalsContact N-CD2 3.35Å; Y377-F381 VanDerWaalsContact O-CB 3.31Å; Y377-F381 WeakPolarHBondContact O-CB 3.45Å; Y377-F381 PolarHBondContact O-N 3.04Å; F381-T383 PolarHBondContact O-N 2.7Å; F381-N384 PolarHBondContact O-N 2.67Å; F381-N384 PolarHBondContact O-ND2 3.07Å; F381-A433 HydrophobicContact CZ-CB 4.24Å; F381-Y435 HydrophobicContact CE1-CE2 4.12Å; F381-Y435 HydrophobicContact CZ-CE2 4.27Å; F381-F454 HydrophobicContact CD1-CB 4.22Å; F381-F454 AromaticContact CD1-CD1 4Å; F381-F454 HydrophobicContact CD1-CD1 4Å; F381-F454 HydrophobicContact CD1-CD2 4.33Å; F381-F454 HydrophobicContact CD1-CE1 4.44Å; F381-F454 AromaticContact CD1-CG 3.91Å; F381-F454 HydrophobicContact CD1-CG 3.91Å; F381-F454 HydrophobicContact CE1-CB 4.49Å; F381-F454 AromaticContact CE1-CD1 3.56Å; F381-F454 HydrophobicContact CE1-CD1 3.56Å; F381-F454 AromaticContact CE1-CE1 3.82Å; F381-F454 HydrophobicContact CE1-CE1 3.82Å; F381-F454 AromaticContact CE1-CG 3.98Å; F381-F454 HydrophobicContact CE1-CG 3.98Å; F381-F454 HydrophobicContact CE1-CZ 4.45Å; F381-V486 HydrophobicContact CE1-CB 4.48Å; F381-V486 HydrophobicContact CE1-CG1 4.19Å; F381-V486 HydrophobicContact CE2-CG1 3.93Å; F381-V486 HydrophobicContact CZ-CB 3.87Å; F381-V486 HydrophobicContact CZ-CG1 3.64Å; F381-V486 HydrophobicContact CZ-CG2 4.45Å
382W94.1Very high93.4Very high23 Ų2331.6 Ų31.69%0.08716%0.156CC..G310 helixtrans-66.7-16.9-178.569-84.5000113.3D379 T380 N384 Q386 H448 K450 K451 F454D379-W382 PolarHBondContact O-NE1 3.02Å; T380-W382 PolarHBondContact O-N 2.71Å; W382-N384 VanDerWaalsContact C-N 3.35Å; W382-Q386 PolarHBondContact O-NE2 2.88Å; W382-H448 AromaticContact CE3-CD2 3.97Å; W382-H448 AromaticContact CE3-NE2 3.97Å; W382-H448 PolarHBondContact O-NE2 3.16Å; W382-K450 HydrophobicContact CE3-CB 4.35Å; W382-K450 HydrophobicContact CE3-CD 3.87Å; W382-K450 HydrophobicContact CH2-CD 4.25Å; W382-K450 HydrophobicContact CZ3-CD 3.45Å; W382-K450 VanDerWaalsContact CZ3-CD 3.45Å; W382-K451 HydrophobicContact CD2-CB 4.47Å; W382-K451 HydrophobicContact CG-CB 3.98Å; W382-F454 HydrophobicContact CB-CD2 3.51Å; W382-F454 HydrophobicContact CB-CE2 3.56Å
383T92.6Very high93.1Very high8 Ų836.9 Ų36.95%0.04918%0.181CC..G310 helixtrans-83.3-11-179.777.10000113.5V369 S370 T380 F381V369-T383 WeakPolarHBondContact O-CB 3.44Å; V369-T383 PolarHBondContact O-OG1 2.85Å; S370-T383 WeakPolarHBondContact CA-O 3.41Å; T380-T383 WeakPolarHBondContact O-CB 3.39Å; T380-T383 PolarHBondContact O-N 2.68Å; T380-T383 PolarHBondContact O-OG1 2.81Å; F381-T383 PolarHBondContact O-N 2.7Å
384N95.3Very high92.7Very high0 Ų039.3 Ų39.30%020%0.196CC..SBendtrans-58.9152.8172.2-68.2-70.8000110.9S370 G372 G373 F381 W382 H448 V486 P487S370-N384 WeakPolarHBondContact O-CA 3.25Å; S370-N384 PolarHBondContact O-OD1 2.82Å; S370-N384 VanDerWaalsContact O-OD1 3.09Å; G372-N384 WeakPolarHBondContact CA-ND2 3.46Å; G372-N384 PolarHBondContact N-OD1 3.14Å; G373-N384 PolarHBondContact O-ND2 3.34Å; F381-N384 PolarHBondContact O-N 2.67Å; F381-N384 PolarHBondContact O-ND2 3.07Å; W382-N384 VanDerWaalsContact C-N 3.35Å; N384-H448 PolarHBondContact O-CE1 3.5Å; N384-V486 HydrophobicContact CB-CG1 3.75Å; N384-P487 WeakPolarHBondContact CB-O 3.09Å
385P94.5Very high92.3Very high3 Ų340 Ų402%0.01920%0.199CC..  trans-56.6149.2174.5-26.238.5000112.1F361 E363 P487 F498F361-P385 HydrophobicContact CE1-CB 4.4Å; E363-P385 HydrophobicContact CB-CB 4.36Å; E363-P385 HydrophobicContact CB-CG 4.25Å; E363-P385 HydrophobicContact CG-CB 4.36Å; E363-P385 HydrophobicContact CG-CG 4.48Å; P385-P487 WeakPolarHBondContact O-CD 3.37Å; P385-F498 HydrophobicContact CB-CZ 4.02Å; P385-F498 HydrophobicContact CG-CE1 4.02Å; P385-F498 HydrophobicContact CG-CZ 3.79Å
386Q94.1Very high91.5Very high2 Ų241 Ų411%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-132.1133.1-170.8-73.1-175.828.800109.9W382 H448 L449 L484 V486 I513W382-Q386 PolarHBondContact O-NE2 2.88Å; Q386-H448 PolarHBondContact NE2-CE1 2.78Å; Q386-H448 PolarHBondContact NE2-NE2 3.48Å; Q386-H448 VanDerWaalsContact NE2-NE2 3.16Å; Q386-L449 PolarHBondContact NE2-O 2.86Å; Q386-L449 VanDerWaalsContact OE1-CB 3.26Å; Q386-L484 HydrophobicContact CB-CD1 3.81Å; Q386-L484 HydrophobicContact CG-CD1 4.25Å; Q386-V486 HydrophobicContact CG-CG2 4.31Å; Q386-I513 HydrophobicContact CB-CD1 4.32Å; Q386-I513 HydrophobicContact CB-CG1 3.8Å; Q386-I513 PolarHBondContact O-N 3.48Å; Q386-I513 VanDerWaalsContact O-O 3.12Å
387F91.4Very high90.1Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-144.5152.4173.850.6-88.7000111.3F361 L484 I485 P487 V500 F510F361-F387 AromaticContact CD1-CD1 3.88Å; F361-F387 HydrophobicContact CD1-CD1 3.88Å; F361-F387 HydrophobicContact CD1-CE1 4.16Å; F361-F387 HydrophobicContact CE1-CD1 4.06Å; F387-L484 CarbonylContact O-C 3.57Å; F387-L484 WeakPolarHBondContact O-CA 3.47Å; F387-I485 HydrophobicContact CD2-CB 3.77Å; F387-I485 HydrophobicContact CD2-CD1 4.19Å; F387-I485 HydrophobicContact CD2-CG1 4.36Å; F387-I485 HydrophobicContact CD2-CG2 4.4Å; F387-I485 HydrophobicContact CE1-CB 4.46Å; F387-I485 HydrophobicContact CE1-CG2 4.33Å; F387-I485 HydrophobicContact CE2-CB 3.27Å; F387-I485 HydrophobicContact CE2-CD1 3.65Å; F387-I485 HydrophobicContact CE2-CG1 3.96Å; F387-I485 HydrophobicContact CE2-CG2 3.45Å; F387-I485 VanDerWaalsContact CE2-CG2 3.45Å; F387-I485 HydrophobicContact CZ-CB 3.63Å; F387-I485 HydrophobicContact CZ-CG2 3.34Å; F387-I485 PolarHBondContact N-O 3.49Å; F387-I485 PolarHBondContact O-N 3.22Å; F387-P487 VanDerWaalsContact CE1-CD 3.41Å; F387-P487 HydrophobicContact CE1-CG 3.69Å; F387-P487 HydrophobicContact CZ-CG 4.32Å; F387-V500 HydrophobicContact CE1-CB 4.29Å; F387-V500 HydrophobicContact CE1-CG1 4.31Å; F387-V500 HydrophobicContact CE1-CG2 3.87Å; F387-V500 HydrophobicContact CE2-CB 4.43Å; F387-V500 HydrophobicContact CE2-CG1 3.72Å; F387-V500 HydrophobicContact CZ-CB 3.84Å; F387-V500 HydrophobicContact CZ-CG1 3.39Å; F387-V500 HydrophobicContact CZ-CG2 3.71Å; F387-F510 HydrophobicContact CB-CE2 3.9Å; F387-F510 HydrophobicContact CB-CZ 3.78Å; F387-F510 AromaticContact CD2-CE2 3.54Å; F387-F510 HydrophobicContact CD2-CE2 3.54Å; F387-F510 HydrophobicContact CD2-CZ 4.1Å; F387-F510 HydrophobicContact CE2-CE2 4.39Å; F387-F510 AromaticContact CG-CE2 3.98Å; F387-F510 HydrophobicContact CG-CE2 3.98Å; F387-F510 HydrophobicContact CG-CZ 4.09Å
388V92.6Very high88.2Confident5 Ų538 Ų383%0.0321%0.205CC..EExtended strand (participates in β ladder)trans-112.4133.2-173.6175.90000109.6L437 E482 Y483 L484 F510 Q511 I513V388-L437 HydrophobicContact CG1-CD2 3.97Å; V388-L437 HydrophobicContact CG2-CD2 3.94Å; V388-E482 HydrophobicContact CG1-CB 4.39Å; V388-Y483 CarbonylContact C-O 3.58Å; V388-Y483 VanDerWaalsContact CA-O 3.22Å; V388-Y483 WeakPolarHBondContact CA-O 3.06Å; V388-L484 HydrophobicContact CG2-CD1 4.18Å; V388-F510 WeakPolarHBondContact O-CA 3.5Å; V388-Q511 PolarHBondContact N-O 2.77Å; V388-Q511 PolarHBondContact O-N 3.27Å; V388-I513 HydrophobicContact CB-CG2 4.29Å; V388-I513 HydrophobicContact CG2-CD1 3.87Å; V388-I513 HydrophobicContact CG2-CG1 4.22Å; V388-I513 HydrophobicContact CG2-CG2 3.58Å
389I92.8Very high86.3Confident5 Ų542.4 Ų42.43%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-113.7137.8166.2-175166.3000109.7L391 V408 E482 Y483 I485 V502 A508I389-L391 HydrophobicContact CD1-CD2 3.8Å; I389-L391 HydrophobicContact CG1-CD2 3.87Å; I389-L391 HydrophobicContact CG1-CG 4.48Å; I389-V408 HydrophobicContact CD1-CG1 4.25Å; I389-E482 WeakPolarHBondContact O-CA 3.47Å; I389-Y483 PolarHBondContact N-O 3.14Å; I389-Y483 PolarHBondContact O-N 3.48Å; I389-I485 HydrophobicContact CG2-CD1 3.88Å; I389-I485 HydrophobicContact CG2-CG1 4.37Å; I389-V502 HydrophobicContact CD1-CB 4.21Å; I389-V502 HydrophobicContact CD1-CG1 3.37Å; I389-A508 HydrophobicContact CD1-CB 3.89Å; I389-A508 HydrophobicContact CG1-CB 3.92Å
390K92.4Very high84.7Confident64 Ų6438.7 Ų38.728%0.27821%0.207SC..EExtended strand (participates in β ladder)trans-114.5119.5176.8-177.8172.2-172.4151.40110.3N392 E482 A508 D509K390-N392 WeakPolarHBondContact CE-OD1 3.33Å; K390-N392 WeakPolarHBondContact CG-OD1 3.5Å; K390-E482 HydrophobicContact CB-CG 3.9Å; K390-E482 HydrophobicContact CD-CG 3.95Å; K390-E482 WeakPolarHBondContact CD-OE1 3.45Å; K390-E482 VanDerWaalsContact CE-OE1 3.28Å; K390-E482 WeakPolarHBondContact CE-OE1 3.37Å; K390-E482 HydrophobicContact CG-CG 3.67Å; K390-E482 IonicContact NZ-OE1 3.49Å; K390-E482 PolarHBondContact NZ-OE1 3.1Å; K390-A508 WeakPolarHBondContact O-CA 3.36Å; K390-A508 WeakPolarHBondContact O-CB 3.28Å; K390-D509 HydrophobicContact CB-CB 3.98Å; K390-D509 HydrophobicContact CD-CB 4.4Å; K390-D509 PolarHBondContact N-O 3.37Å; K390-D509 PolarHBondContact O-N 3.11Å
391L92.1Very high83Confident6 Ų640.4 Ų40.43%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-105.5112.8-179.9-53.7176.9000108.5I389 C406 V408 L478 P480 G481 Y483 A508I389-L391 HydrophobicContact CD1-CD2 3.8Å; I389-L391 HydrophobicContact CG1-CD2 3.87Å; I389-L391 HydrophobicContact CG1-CG 4.48Å; L391-C406 HydrophobicContact CB-CB 3.98Å; L391-C406 HydrophobicContact CD1-CB 3.91Å; L391-C406 HydrophobicContact CG-CB 4.36Å; L391-V408 HydrophobicContact CD1-CG2 3.54Å; L391-V408 HydrophobicContact CD2-CG2 3.5Å; L391-V408 VanDerWaalsContact CD2-CG2 3.5Å; L391-V408 HydrophobicContact CG-CG2 4.17Å; L391-L478 HydrophobicContact CD1-CB 3.9Å; L391-L478 HydrophobicContact CD1-CD1 4.23Å; L391-P480 CarbonylContact O-C 3.51Å; L391-P480 VanDerWaalsContact O-CA 3.26Å; L391-P480 WeakPolarHBondContact O-CA 3.4Å; L391-G481 PolarHBondContact N-O 2.59Å; L391-G481 PolarHBondContact O-N 3.04Å; L391-Y483 HydrophobicContact CD1-CD2 3.86Å; L391-Y483 HydrophobicContact CD1-CE2 3.78Å; L391-Y483 HydrophobicContact CG-CD2 4.22Å; L391-Y483 HydrophobicContact CG-CE2 4.35Å; L391-A508 HydrophobicContact CD2-CB 3.91Å
392N87.8Confident81.1Confident81 Ų8145 Ų4543%0.43325%0.253SS..  trans-104.9-44.6-175.5-63.7-47.1000112.3K390 D509K390-N392 WeakPolarHBondContact CE-OD1 3.33Å; K390-N392 WeakPolarHBondContact CG-OD1 3.5Å; N392-D509 PolarHBondContact ND2-OD2 3.25Å
393E87.6Confident79.4Confident112 Ų11250.6 Ų50.652%0.52328%0.28SS..SBendtrans-105.5134.2-172.9-65.2-179.2-170.400111.2C406 K506E393-C406 PolarHBondContact O-SG 2.93Å; E393-K506 HydrophobicContact CB-CB 3.83Å; E393-K506 HydrophobicContact CB-CD 4.45Å; E393-K506 HydrophobicContact CB-CG 3.84Å
394V88.7Confident78.5Confident51 Ų5155.9 Ų55.931%0.30931%0.308SS..  trans-79.3160175.1-62.20000111.2R405 P480 K506V394-R405 WeakPolarHBondContact CA-O 3.43Å; V394-P480 HydrophobicContact CG1-CG 3.62Å; V394-K506 WeakPolarHBondContact O-CE 3.4Å
395D86.1Confident78.1Confident18 Ų1860.3 Ų60.310%0.09633%0.325CS..  trans-67.8152.4-179.6-53.4-27.1000111.9D397 R405 T407 E505D395-D397 VanDerWaalsContact C-N 3.3Å; D395-D397 PolarHBondContact O-N 3.28Å; D395-R405 PolarHBondContact N-O 2.78Å; D395-T407 PolarHBondContact OD1-N 2.76Å; D395-T407 WeakPolarHBondContact OD2-CB 3.35Å; D395-T407 PolarHBondContact OD2-N 3.04Å; D395-T407 VanDerWaalsContact OD2-N 3.09Å; D395-T407 PolarHBondContact OD2-OG1 2.83Å; D395-E505 HydrophobicContact CB-CG 4.28Å
396D78.4Confident78Confident105 Ų10560.3 Ų60.356%0.56133%0.325SS*.SBendtrans-76.1-1.7-171.7-69.2-39.2000115.6P398 K506D396-P398 WeakPolarHBondContact O-CD 3.45Å; D396-K506 VanDerWaalsContact OD1-CE 3.29Å; D396-K506 WeakPolarHBondContact OD1-CE 3.31Å; D396-K506 IonicContact OD1-NZ 3.04Å; D396-K506 PolarHBondContact OD1-NZ 2.82Å; D396-K506 WeakPolarHBondContact OD2-CE 3.43Å; D396-K506 IonicContact OD2-NZ 2.84Å; D396-K506 PolarHBondContact OD2-NZ 2.76Å
397D67.1Low77.8Confident46 Ų4660.5 Ų60.525%0.24633%0.326CS..  trans-93.3108.3-171-166.6-18.3000112.6K226 D395 N399K226-D397 IonicContact NZ-OD2 3.42Å; D395-D397 VanDerWaalsContact C-N 3.3Å; D395-D397 PolarHBondContact O-N 3.28Å; D397-N399 VanDerWaalsContact C-N 3.29Å; D397-N399 PolarHBondContact O-N 3.45Å; D397-N399 PolarHBondContact OD1-N 2.97Å
398P54.5Low77.9Confident88 Ų8860.7 Ų60.757%0.57133%0.327SS*.THydrogen-bonded Turntrans-77.6-6.2-178.232.4-36.1000114.2D396D396-P398 WeakPolarHBondContact O-CD 3.45Å
399N53.5Low78Confident133 Ų13360.4 Ų60.471%0.71133%0.326SS*.THydrogen-bonded Turntrans-101.215.2-169.3-73.3-33.4000114.9K226 D397K226-N399 PolarHBondContact NZ-O 3.37Å; D397-N399 VanDerWaalsContact C-N 3.29Å; D397-N399 PolarHBondContact O-N 3.45Å; D397-N399 PolarHBondContact OD1-N 2.97Å
400D55.6Low78.1Confident25 Ų2560.2 Ų60.213%0.13432%0.324CS..SBendtrans-97.4-3.8-175.2-95.86.3000114.9K226 E402 R477K226-D400 WeakPolarHBondContact CD-OD1 3.42Å; K226-D400 IonicContact NZ-OD1 3.46Å; K226-D400 PolarHBondContact NZ-OD1 3.35Å; D400-E402 PolarHBondContact O-N 2.73Å; D400-R477 IonicContact OD2-CZ 3.17Å; D400-R477 VanDerWaalsContact OD2-CZ 3.28Å; D400-R477 IonicContact OD2-NH1 3.38Å; D400-R477 PolarHBondContact OD2-NH1 3.45Å; D400-R477 IonicContact OD2-NH2 2.64Å; D400-R477 PolarHBondContact OD2-NH2 3.01Å
401G55.7Low78.2Confident71 Ų7157.1 Ų57.173%0.73231%0.311SS*.SBendtrans65.6-2.2-178.700000115.1
402E57.4Low78.3Confident99 Ų9956.9 Ų56.946%0.46331%0.31SS..  trans-119.262.8172.4-64.8-164.4175.600109.8D400 D404 R405D400-E402 PolarHBondContact O-N 2.73Å; E402-D404 PolarHBondContact O-N 3.2Å; E402-R405 HydrophobicContact CB-CG 4.45Å
403E57Low78.6Confident140 Ų14053 Ų5365%0.65429%0.289SS*.  trans-64.20.8-165.3-66.6177.1176.600116.6
404D75.3Confident78.8Confident119 Ų11947.9 Ų47.964%0.63627%0.265SS*.SBendtrans-134.450.7-172.6-67.1-45.2000113.8E402E402-D404 PolarHBondContact O-N 3.2Å
405R86.6Confident78.8Confident93 Ų9346.3 Ų46.335%0.35125%0.254SS..  trans-129.8150.4-179.4-60-66.9-169.4-149.11112.9V394 D395 E402 R477 L478 P479V394-R405 WeakPolarHBondContact CA-O 3.43Å; D395-R405 PolarHBondContact N-O 2.78Å; E402-R405 HydrophobicContact CB-CG 4.45Å; R405-R477 HydrophobicContact CB-CB 4.07Å; R405-R477 HydrophobicContact CG-CB 4.3Å; R405-L478 WeakPolarHBondContact CA-O 2.87Å; R405-P479 VanDerWaalsContact NH1-CB 3.29Å
406C90.8Very high78.2Confident4 Ų448.9 Ų48.93%0.02727%0.268CS..EExtended strand (participates in β ladder)trans-105.3124.5171.8-54.80000108.5L391 E393 R477 L478L391-C406 HydrophobicContact CB-CB 3.98Å; L391-C406 HydrophobicContact CD1-CB 3.91Å; L391-C406 HydrophobicContact CG-CB 4.36Å; E393-C406 PolarHBondContact O-SG 2.93Å; C406-R477 WeakPolarHBondContact O-CA 3.41Å; C406-L478 PolarHBondContact N-O 3.21Å; C406-L478 PolarHBondContact O-N 3.47Å
407T90.9Very high77.8Confident6 Ų644.6 Ų44.64%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-81.2125.5173.9-71.30000110.4W356 D395 S504 E505W356-T407 HydrophobicContact CH2-CG2 4.28Å; W356-T407 HydrophobicContact CZ3-CG2 4.34Å; D395-T407 PolarHBondContact OD1-N 2.76Å; D395-T407 WeakPolarHBondContact OD2-CB 3.35Å; D395-T407 PolarHBondContact OD2-N 3.04Å; D395-T407 VanDerWaalsContact OD2-N 3.09Å; D395-T407 PolarHBondContact OD2-OG1 2.83Å; T407-S504 WeakPolarHBondContact O-CA 3.34Å; T407-E505 PolarHBondContact O-N 3.11Å
408V93.3Very high77.8Confident3 Ų343.4 Ų43.42%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-134.1135.1179.1-176.10000109.9I389 L391 V410 R475 F476 V502 F503I389-V408 HydrophobicContact CD1-CG1 4.25Å; L391-V408 HydrophobicContact CD1-CG2 3.54Å; L391-V408 HydrophobicContact CD2-CG2 3.5Å; L391-V408 VanDerWaalsContact CD2-CG2 3.5Å; L391-V408 HydrophobicContact CG-CG2 4.17Å; V408-V410 HydrophobicContact CG1-CG2 3.99Å; V408-R475 CarbonylContact O-C 3.55Å; V408-R475 WeakPolarHBondContact O-CA 3.1Å; V408-F476 PolarHBondContact N-O 3.27Å; V408-F476 PolarHBondContact O-N 3.29Å; V408-V502 HydrophobicContact CG1-CG1 3.27Å; V408-F503 CarbonylContact C-O 3.48Å; V408-F503 WeakPolarHBondContact CA-O 3.31Å
409I94Very high78.2Confident0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-116.2123.7173.6-49.2164.1000107I211 E213 N342 W356 C473 N474 R475 V502 F503I211-I409 HydrophobicContact CD1-CB 4.38Å; I211-I409 HydrophobicContact CD1-CG2 3.68Å; I211-I409 HydrophobicContact CG1-CG2 4.38Å; E213-I409 HydrophobicContact CG-CG2 3.85Å; E213-I409 WeakPolarHBondContact OE1-CD1 3.47Å; N342-I409 WeakPolarHBondContact ND2-CD1 3.37Å; W356-I409 HydrophobicContact CH2-CD1 3.68Å; W356-I409 HydrophobicContact CH2-CG1 4.47Å; W356-I409 HydrophobicContact CZ2-CD1 4Å; W356-I409 HydrophobicContact CZ3-CD1 4Å; I409-C473 WeakPolarHBondContact CG2-SG 3.38Å; I409-N474 WeakPolarHBondContact CA-O 3.45Å; I409-R475 HydrophobicContact CG1-CB 4.4Å; I409-R475 HydrophobicContact CG1-CG 4.39Å; I409-V502 CarbonylContact O-C 3.49Å; I409-V502 WeakPolarHBondContact O-CA 3.26Å; I409-F503 HydrophobicContact CB-CB 4.21Å; I409-F503 HydrophobicContact CD1-CB 4.36Å; I409-F503 PolarHBondContact N-O 3Å; I409-F503 PolarHBondContact O-N 2.65Å
410V95Very high78.8Confident0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-112.5121.3179.4-1780000108.7V408 F432 I434 C473 N474 F476 I485 V500 V502V408-V410 HydrophobicContact CG1-CG2 3.99Å; V410-F432 HydrophobicContact CB-CE1 4.3Å; V410-F432 HydrophobicContact CB-CE2 3.9Å; V410-F432 HydrophobicContact CB-CZ 3.64Å; V410-F432 HydrophobicContact CG1-CD1 4.34Å; V410-F432 HydrophobicContact CG1-CD2 4.23Å; V410-F432 HydrophobicContact CG1-CE1 3.96Å; V410-F432 HydrophobicContact CG1-CE2 3.84Å; V410-F432 HydrophobicContact CG1-CG 4.47Å; V410-F432 HydrophobicContact CG1-CZ 3.69Å; V410-I434 HydrophobicContact CG2-CD1 4.23Å; V410-C473 WeakPolarHBondContact O-CA 3.49Å; V410-N474 PolarHBondContact N-O 2.92Å; V410-N474 PolarHBondContact O-N 3.13Å; V410-F476 HydrophobicContact CB-CE2 4.25Å; V410-F476 HydrophobicContact CG2-CD2 4.22Å; V410-F476 HydrophobicContact CG2-CE2 4.2Å; V410-I485 HydrophobicContact CG1-CD1 4.48Å; V410-I485 HydrophobicContact CG1-CG2 4.48Å; V410-I485 HydrophobicContact CG2-CD1 4.07Å; V410-V500 HydrophobicContact CG1-CG1 4.2Å; V410-V502 HydrophobicContact CG1-CG2 4.44Å; V410-V502 HydrophobicContact CG2-CG1 4.18Å; V410-V502 HydrophobicContact CG2-CG2 4.32Å
411G94.8Very high79.4Confident0 Ų045.7 Ų45.70%023%0.225CC..EExtended strand (participates in β ladder)trans-109.6127.1174.900000110.7E471 L472 V500 R501G411-E471 WeakPolarHBondContact CA-OE1 3.07Å; G411-L472 WeakPolarHBondContact CA-O 3.32Å; G411-V500 CarbonylContact O-C 3.53Å; G411-V500 VanDerWaalsContact O-CA 3.25Å; G411-V500 WeakPolarHBondContact O-CA 3.24Å; G411-V500 WeakPolarHBondContact O-CG1 3.28Å; G411-R501 PolarHBondContact N-O 3.36Å; G411-R501 PolarHBondContact O-N 2.91Å
412L95.2Very high79.6Confident0 Ų047.3 Ų47.30%021%0.212CC..EExtended strand (participates in β ladder)trans-116.7107.9173.2172.563.3000108.9W365 I430 G431 F432 E471 L472 P487 F498 V500W365-L412 HydrophobicContact CH2-CD1 3.96Å; W365-L412 HydrophobicContact CH2-CD2 4.2Å; W365-L412 HydrophobicContact CH2-CG 4.37Å; W365-L412 HydrophobicContact CZ2-CD1 4.12Å; W365-L412 HydrophobicContact CZ2-CD2 4.27Å; L412-I430 HydrophobicContact CD2-CB 4.12Å; L412-I430 HydrophobicContact CD2-CD1 4.44Å; L412-I430 HydrophobicContact CG-CD1 4.15Å; L412-I430 VanDerWaalsContact O-CD1 3.24Å; L412-I430 WeakPolarHBondContact O-CD1 3.31Å; L412-G431 WeakPolarHBondContact CD2-O 3.47Å; L412-F432 HydrophobicContact CB-CD1 3.97Å; L412-F432 HydrophobicContact CB-CE1 4.46Å; L412-F432 HydrophobicContact CD2-CB 4.45Å; L412-F432 HydrophobicContact CD2-CD1 4.3Å; L412-E471 VanDerWaalsContact O-CA 3.31Å; L412-E471 WeakPolarHBondContact O-CA 3.22Å; L412-L472 PolarHBondContact N-O 3Å; L412-L472 PolarHBondContact O-N 3.02Å; L412-P487 HydrophobicContact CD1-CB 3.63Å; L412-P487 HydrophobicContact CD2-CB 3.83Å; L412-P487 HydrophobicContact CG-CB 4.35Å; L412-F498 HydrophobicContact CD1-CB 4.14Å; L412-F498 HydrophobicContact CD1-CD2 3.68Å; L412-F498 HydrophobicContact CD1-CE2 4.44Å; L412-F498 HydrophobicContact CD1-CG 4.14Å; L412-V500 HydrophobicContact CD1-CG2 3.71Å
413M93.4Very high79.7Confident0 Ų049.9 Ų49.90%023%0.226CC..EExtended strand (participates in β ladder)trans-107.3135.8-178.3-177.2-177-74.800111.4W144 F146 E205 R470 E471 F498 Y499W144-M413 HydrophobicContact CH2-CE 3.93Å; W144-M413 HydrophobicContact CH2-SD 3.98Å; W144-M413 HydrophobicContact CZ3-CE 3.62Å; W144-M413 HydrophobicContact CZ3-SD 3.84Å; F146-M413 HydrophobicContact CD1-CG 4.09Å; F146-M413 HydrophobicContact CD1-SD 3.4Å; F146-M413 WeakPolarHBondContact CD1-SD 3.38Å; F146-M413 HydrophobicContact CE1-CG 4.32Å; F146-M413 HydrophobicContact CE1-SD 3.83Å; F146-M413 HydrophobicContact CG-SD 4.44Å; E205-M413 HydrophobicContact CB-CE 4.4Å; E205-M413 WeakPolarHBondContact OE2-CE 3.43Å; M413-R470 CarbonylContact C-O 3.51Å; M413-R470 WeakPolarHBondContact CA-O 3.33Å; M413-R470 HydrophobicContact CG-CG 4.3Å; M413-E471 HydrophobicContact CB-CB 3.91Å; M413-E471 HydrophobicContact CB-CG 4Å; M413-E471 HydrophobicContact CE-CB 4.17Å; M413-E471 WeakPolarHBondContact CE-OE2 3.47Å; M413-E471 HydrophobicContact CG-CB 4.14Å; M413-F498 CarbonylContact O-C 3.54Å; M413-F498 WeakPolarHBondContact O-CA 3.19Å; M413-F498 WeakPolarHBondContact O-CB 3.16Å; M413-Y499 PolarHBondContact N-O 3.42Å; M413-Y499 PolarHBondContact O-N 2.97Å
414Q91.6Very high79.9Confident5 Ų546.6 Ų46.62%0.02323%0.23CC..EExtended strand (participates in β ladder)trans-96.9135.4171.364.5-175.4-6600111.5M427 E428 L469 R470Q414-M427 VanDerWaalsContact CD-SD 3.56Å; Q414-M427 HydrophobicContact CG-SD 3.75Å; Q414-E428 PolarHBondContact NE2-O 2.99Å; Q414-L469 PolarHBondContact NE2-O 3.21Å; Q414-R470 WeakPolarHBondContact CG-O 3.28Å; Q414-R470 PolarHBondContact N-O 3.31Å
415K88.8Confident79.5Confident18 Ų1844.5 Ų44.58%0.07822%0.216CC..  trans-88.2150.5-172.8-53.6-163.6177.3-158.80113.7F146 E362 K417 D497F146-K415 HydrophobicContact CB-CD 3.58Å; F146-K415 HydrophobicContact CB-CG 3.8Å; F146-K415 HydrophobicContact CD1-CB 3.93Å; F146-K415 HydrophobicContact CD1-CD 4.43Å; F146-K415 HydrophobicContact CD1-CG 3.71Å; F146-K415 HydrophobicContact CD2-CB 4.41Å; F146-K415 HydrophobicContact CE1-CB 4.24Å; F146-K415 HydrophobicContact CE1-CG 4.48Å; F146-K415 HydrophobicContact CG-CB 4.05Å; F146-K415 HydrophobicContact CG-CD 4Å; F146-K415 HydrophobicContact CG-CG 3.77Å; F146-K415 WeakPolarHBondContact O-CE 3.49Å; F146-K415 PolarHBondContact O-NZ 2.81Å; E362-K415 WeakPolarHBondContact OE1-CE 3.48Å; E362-K415 IonicContact OE1-NZ 3.18Å; E362-K415 PolarHBondContact OE1-NZ 2.79Å; E362-K415 IonicContact OE2-NZ 2.83Å; E362-K415 PolarHBondContact OE2-NZ 3.41Å; K415-K417 VanDerWaalsContact C-N 3.33Å; K415-K417 PolarHBondContact O-N 3.29Å; K415-K417 VanDerWaalsContact O-N 3.14Å; K415-D497 HydrophobicContact CB-CB 4.18Å; K415-D497 HydrophobicContact CD-CB 4.34Å; K415-D497 HydrophobicContact CG-CB 4.34Å; K415-D497 PolarHBondContact N-O 2.93Å
416N73.4Confident78.9Confident71 Ų7144.5 Ų44.538%0.3822%0.223SC..SBendtrans61.419.8159.5-62.2-43.2000118.3
417K70Confident78.6Confident15 Ų1545.3 Ų45.37%0.06523%0.227CC..  trans-81.8-28.6-179.3-68.9-73.4-1721600114.2K415 H419 R420 R421 M427 E428K415-K417 VanDerWaalsContact C-N 3.33Å; K415-K417 PolarHBondContact O-N 3.29Å; K415-K417 VanDerWaalsContact O-N 3.14Å; K417-H419 PolarHBondContact O-N 3.22Å; K417-R420 PolarHBondContact O-N 2.77Å; K417-R421 PolarHBondContact O-N 2.77Å; K417-M427 HydrophobicContact CB-CE 3.92Å; K417-M427 HydrophobicContact CB-SD 3.49Å; K417-M427 WeakPolarHBondContact CB-SD 3.24Å; K417-M427 HydrophobicContact CG-SD 3.96Å; K417-E428 IonicContact NZ-OE1 3.69Å; K417-E428 PolarHBondContact NZ-OE1 2.91Å
418R67.3Low78.6Confident21 Ų2147.2 Ų47.28%0.07924%0.235CC..G310 helixtrans-59.6-44.4178.4-80.3-173.9169.3-86.8-7.1113A194 E202 R420 R421 M427A194-R418 PolarHBondContact O-NH1 2.91Å; E202-R418 IonicContact OE1-CZ 3.95Å; E202-R418 IonicContact OE1-NH2 3.19Å; E202-R418 PolarHBondContact OE1-NH2 3.29Å; E202-R418 IonicContact OE2-CZ 2.98Å; E202-R418 IonicContact OE2-NE 4Å; E202-R418 PolarHBondContact OE2-NE 3.08Å; E202-R418 IonicContact OE2-NH2 3.17Å; E202-R418 PolarHBondContact OE2-NH2 3.32Å; R418-R420 PolarHBondContact O-N 3.14Å; R418-R421 WeakPolarHBondContact O-CB 3.29Å; R418-R421 PolarHBondContact O-N 2.96Å; R418-R421 VanDerWaalsContact O-N 3.16Å; R418-M427 HydrophobicContact CG-CE 4.32Å
419H62.5Low78.7Confident81 Ų8149.7 Ų49.738%0.37525%0.25SS..G310 helixtrans-57.7-29.7174.2-78.5-68.6000113.8I188 K417I188-H419 PolarHBondContact O-CE1 3.4Å; I188-H419 PolarHBondContact O-NE2 2.8Å; K417-H419 PolarHBondContact O-N 3.22Å
420R66.8Low78.8Confident113 Ų11349.7 Ų49.743%0.42625%0.25SS..G310 helixtrans-89.9-1.7-176.5-57.8-169.8-174.8-173.61.2113.7K417 R418 K422 M423 G424 E425K417-R420 PolarHBondContact O-N 2.77Å; R418-R420 PolarHBondContact O-N 3.14Å; R420-K422 PolarHBondContact O-N 2.95Å; R420-M423 CarbonylContact O-C 2.93Å; R420-M423 WeakPolarHBondContact O-CA 3.41Å; R420-M423 WeakPolarHBondContact O-CB 3.37Å; R420-M423 PolarHBondContact O-N 2.98Å; R420-G424 PolarHBondContact O-N 3.19Å; R420-E425 HydrophobicContact CB-CB 3.91Å; R420-E425 HydrophobicContact CB-CG 4.44Å; R420-E425 WeakPolarHBondContact CD-OE2 3.45Å; R420-E425 IonicContact NE-OE2 3.1Å; R420-E425 IonicContact NH1-OE1 3.06Å; R420-E425 IonicContact NH1-OE2 2.72Å; R420-E425 PolarHBondContact NH1-OE2 2.58Å; R420-E425 PolarHBondContact O-N 2.99Å
421R66.8Low78.9Confident100 Ų10049.7 Ų49.738%0.37725%0.25SS..G310 helixtrans-57.5-35.2169.9-75.8-171.4172.5177.80.9112.1G197 K417 R418 M423 G424G197-R421 PolarHBondContact O-NH1 3.06Å; K417-R421 PolarHBondContact O-N 2.77Å; R418-R421 WeakPolarHBondContact O-CB 3.29Å; R418-R421 PolarHBondContact O-N 2.96Å; R418-R421 VanDerWaalsContact O-N 3.16Å; R421-M423 PolarHBondContact O-N 2.79Å; R421-M423 VanDerWaalsContact O-N 3.13Å; R421-G424 PolarHBondContact O-N 2.87Å
422K61.9Low79Confident105 Ų10549.8 Ų49.846%0.45725%0.251SS..G310 helixtrans-57.7-24.9172.6-70-176.9-178.5178.80112.7F60 G190 C191 R420F60-K422 HydrophobicContact CD1-CD 4.22Å; F60-K422 HydrophobicContact CD1-CG 3.92Å; F60-K422 HydrophobicContact CE1-CG 3.98Å; F60-K422 HydrophobicContact CG-CG 4.2Å; F60-K422 HydrophobicContact CZ-CG 4.33Å; G190-K422 PolarHBondContact O-NZ 2.88Å; C191-K422 VanDerWaalsContact SG-CE 3.59Å; R420-K422 PolarHBondContact O-N 2.95Å
423M58.3Low79.1Confident153 Ų15350.3 Ų50.375%0.75426%0.255SS*.G310 helixtrans-98.12.8179-59179.3172.400113R420 R421 E425R420-M423 CarbonylContact O-C 2.93Å; R420-M423 WeakPolarHBondContact O-CA 3.41Å; R420-M423 WeakPolarHBondContact O-CB 3.37Å; R420-M423 PolarHBondContact O-N 2.98Å; R421-M423 PolarHBondContact O-N 2.79Å; R421-M423 VanDerWaalsContact O-N 3.13Å; M423-E425 VanDerWaalsContact C-N 3.34Å
424G60.5Low79.3Confident72 Ų7250.4 Ų50.474%0.74226%0.255SS*.THydrogen-bonded Turntrans78.511.6-178.900000114.9R420 R421R420-G424 PolarHBondContact O-N 3.19Å; R421-G424 PolarHBondContact O-N 2.87Å
425E68.1Low79.5Confident75 Ų7550.3 Ų50.335%0.3526%0.255SS..  trans-82.4137.4171.5-67.9-176.2-155.600110.5R420 M423R420-E425 HydrophobicContact CB-CB 3.91Å; R420-E425 HydrophobicContact CB-CG 4.44Å; R420-E425 WeakPolarHBondContact CD-OE2 3.45Å; R420-E425 IonicContact NE-OE2 3.1Å; R420-E425 IonicContact NH1-OE1 3.06Å; R420-E425 IonicContact NH1-OE2 2.72Å; R420-E425 PolarHBondContact NH1-OE2 2.58Å; R420-E425 PolarHBondContact O-N 2.99Å; M423-E425 VanDerWaalsContact C-N 3.34Å
426D73.5Confident79.8Confident93 Ų9353.5 Ų53.550%0.49727%0.273SS..  trans-112.7174.3174.7-159.29.1000111.3
427M85.6Confident80.7Confident20 Ų2051 Ų5110%0.09926%0.259CS..  trans-59.9137.7173.7-64.7-64.8179.800111Q414 K417 R418 N468 R470Q414-M427 VanDerWaalsContact CD-SD 3.56Å; Q414-M427 HydrophobicContact CG-SD 3.75Å; K417-M427 HydrophobicContact CB-CE 3.92Å; K417-M427 HydrophobicContact CB-SD 3.49Å; K417-M427 WeakPolarHBondContact CB-SD 3.24Å; K417-M427 HydrophobicContact CG-SD 3.96Å; R418-M427 HydrophobicContact CG-CE 4.32Å; M427-N468 HydrophobicContact CB-CB 4.47Å; M427-R470 HydrophobicContact CE-CB 3.82Å; M427-R470 HydrophobicContact CE-CG 4.08Å; M427-R470 HydrophobicContact SD-CB 4.46Å
428E90.9Very high81.7Confident46 Ų4652 Ų5222%0.21527%0.268CS..  trans-75.1151.5170.1-57.4-58.8156.900110.2Q414 K417 I430 T489 K494Q414-E428 PolarHBondContact NE2-O 2.99Å; K417-E428 IonicContact NZ-OE1 3.69Å; K417-E428 PolarHBondContact NZ-OE1 2.91Å; E428-I430 HydrophobicContact CB-CG2 4.42Å; E428-I430 PolarHBondContact O-N 3.04Å; E428-T489 HydrophobicContact CB-CG2 4.11Å; E428-K494 WeakPolarHBondContact OE2-CD 3.49Å
429T94.6Very high82.6Confident55 Ų5560.7 Ų60.734%0.33731%0.306SS..  trans-75113170.8-47.50000109.4F466 I467 T489 F490T429-F466 VanDerWaalsContact CG2-C 3.43Å; T429-F466 HydrophobicContact CG2-CB 3.71Å; T429-F466 WeakPolarHBondContact CG2-O 3.45Å; T429-I467 WeakPolarHBondContact CA-O 3.09Å; T429-T489 CarbonylContact O-C 3.54Å; T429-T489 WeakPolarHBondContact O-CA 3.33Å; T429-F490 HydrophobicContact CG2-CB 4.05Å; T429-F490 PolarHBondContact O-N 3.06Å
430I96.1Very high83.8Confident0 Ų062.5 Ų62.50%031%0.314CS..EExtended strand (participates in β ladder)trans-115.9157.5-174.453.5164.6000112.4W365 L412 E428 F466 I467 L472 T489W365-I430 HydrophobicContact CH2-CB 4.46Å; W365-I430 HydrophobicContact CH2-CG2 3.72Å; W365-I430 HydrophobicContact CZ3-CG2 3.86Å; L412-I430 HydrophobicContact CD2-CB 4.12Å; L412-I430 HydrophobicContact CD2-CD1 4.44Å; L412-I430 HydrophobicContact CG-CD1 4.15Å; L412-I430 VanDerWaalsContact O-CD1 3.24Å; L412-I430 WeakPolarHBondContact O-CD1 3.31Å; E428-I430 HydrophobicContact CB-CG2 4.42Å; E428-I430 PolarHBondContact O-N 3.04Å; I430-F466 VanDerWaalsContact O-CA 3.3Å; I430-F466 WeakPolarHBondContact O-CA 3.46Å; I430-I467 PolarHBondContact N-O 2.9Å; I430-I467 PolarHBondContact O-N 2.95Å; I430-L472 HydrophobicContact CD1-CB 4.38Å; I430-T489 HydrophobicContact CG2-CG2 4.09Å
431G96.7Very high84.7Confident0 Ų060 Ų600%031%0.305CS..EExtended strand (participates in β ladder)trans-173.7170.9178.600000112.7L412 F466 S488L412-G431 WeakPolarHBondContact CD2-O 3.47Å; G431-F466 VanDerWaalsContact CA-CE1 3.44Å; G431-F466 VanDerWaalsContact N-CE1 3.32Å; G431-S488 PolarHBondContact N-O 3.42Å; G431-S488 PolarHBondContact O-N 3.29Å; G431-S488 PolarHBondContact O-OG 2.79Å
432F97.1Very high85.6Confident3 Ų357.8 Ų57.81%0.01331%0.305CS..EExtended strand (participates in β ladder)trans-143.4159.1179.660.6-96000112.2V410 L412 I434 R462 S463 L472 N474 F476 I485 V486 P487V410-F432 HydrophobicContact CB-CE1 4.3Å; V410-F432 HydrophobicContact CB-CE2 3.9Å; V410-F432 HydrophobicContact CB-CZ 3.64Å; V410-F432 HydrophobicContact CG1-CD1 4.34Å; V410-F432 HydrophobicContact CG1-CD2 4.23Å; V410-F432 HydrophobicContact CG1-CE1 3.96Å; V410-F432 HydrophobicContact CG1-CE2 3.84Å; V410-F432 HydrophobicContact CG1-CG 4.47Å; V410-F432 HydrophobicContact CG1-CZ 3.69Å; L412-F432 HydrophobicContact CB-CD1 3.97Å; L412-F432 HydrophobicContact CB-CE1 4.46Å; L412-F432 HydrophobicContact CD2-CB 4.45Å; L412-F432 HydrophobicContact CD2-CD1 4.3Å; F432-I434 HydrophobicContact CD2-CD1 4.44Å; F432-I434 HydrophobicContact CD2-CG1 4.08Å; F432-I434 HydrophobicContact CE2-CD1 4.06Å; F432-I434 HydrophobicContact CE2-CG1 4.17Å; F432-R462 WeakPolarHBondContact O-CA 3.48Å; F432-S463 PolarHBondContact N-OG 3.02Å; F432-S463 PolarHBondContact O-N 2.77Å; F432-L472 HydrophobicContact CD1-CD2 4.35Å; F432-L472 HydrophobicContact CE1-CD2 4.31Å; F432-L472 HydrophobicContact CE1-CG 4.45Å; F432-N474 HydrophobicContact CZ-CB 4.13Å; F432-F476 AromaticContact CE2-CE2 3.56Å; F432-F476 HydrophobicContact CE2-CE2 3.56Å; F432-F476 AromaticContact CE2-CZ 3.65Å; F432-F476 HydrophobicContact CE2-CZ 3.65Å; F432-F476 AromaticContact CZ-CE2 3.76Å; F432-F476 HydrophobicContact CZ-CE2 3.76Å; F432-F476 AromaticContact CZ-CZ 3.94Å; F432-F476 HydrophobicContact CZ-CZ 3.94Å; F432-I485 HydrophobicContact CB-CG2 4.4Å; F432-I485 HydrophobicContact CD2-CG2 4.31Å; F432-V486 VanDerWaalsContact CA-O 3.29Å; F432-V486 WeakPolarHBondContact CA-O 3.4Å; F432-P487 HydrophobicContact CB-CB 4.42Å
433A97.1Very high86.4Confident10 Ų1055 Ų558%0.08331%0.307CS..EExtended strand (participates in β ladder)trans-126.2143.7174.300000110.5F381 Y435 R462 I485 V486F381-A433 HydrophobicContact CZ-CB 4.24Å; A433-Y435 HydrophobicContact CB-CD2 4.42Å; A433-Y435 HydrophobicContact CB-CE2 3.65Å; A433-R462 HydrophobicContact CB-CB 4.46Å; A433-I485 WeakPolarHBondContact O-CA 3.26Å; A433-V486 PolarHBondContact N-O 3.01Å; A433-V486 VanDerWaalsContact N-O 3.08Å; A433-V486 PolarHBondContact O-N 2.85Å
434I97Very high87.6Confident2 Ų252.7 Ų52.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-116.1128.3-179.7-49.7-173.7000108.4V410 F432 A459 A460 A461 F476 L478 Y483 L484 I485V410-I434 HydrophobicContact CG2-CD1 4.23Å; F432-I434 HydrophobicContact CD2-CD1 4.44Å; F432-I434 HydrophobicContact CD2-CG1 4.08Å; F432-I434 HydrophobicContact CE2-CD1 4.06Å; F432-I434 HydrophobicContact CE2-CG1 4.17Å; I434-A459 CarbonylContact O-C 3.19Å; I434-A459 VanDerWaalsContact O-CA 3.26Å; I434-A459 WeakPolarHBondContact O-CA 3.4Å; I434-A459 WeakPolarHBondContact O-CB 3.37Å; I434-A460 PolarHBondContact O-N 2.74Å; I434-A461 WeakPolarHBondContact CA-O 3.22Å; I434-A461 HydrophobicContact CB-CB 4.11Å; I434-A461 HydrophobicContact CD1-CB 4.22Å; I434-A461 HydrophobicContact CG1-CB 4.41Å; I434-A461 PolarHBondContact N-O 3.27Å; I434-A461 PolarHBondContact O-N 2.84Å; I434-F476 HydrophobicContact CD1-CD2 3.82Å; I434-F476 HydrophobicContact CD1-CE2 3.72Å; I434-F476 HydrophobicContact CD1-CG 4.33Å; I434-F476 HydrophobicContact CD1-CZ 4.16Å; I434-L478 HydrophobicContact CG2-CD1 4.36Å; I434-Y483 HydrophobicContact CG2-CD1 3.92Å; I434-Y483 HydrophobicContact CG2-CG 4.21Å; I434-L484 CarbonylContact C-O 3.48Å; I434-L484 VanDerWaalsContact CA-O 3.26Å; I434-L484 WeakPolarHBondContact CA-O 3.31Å; I434-I485 HydrophobicContact CD1-CG1 4.47Å; I434-I485 HydrophobicContact CG1-CG1 4.15Å; I434-I485 HydrophobicContact CG2-CG1 4.3Å
435Y96.6Very high88.3Confident4 Ų452.1 Ų52.12%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-120.2141.6-179.9-67-96000110.1R375 F381 A433 L437 F453 F454 N457 R458 A459 Y483 L484 V486R375-Y435 WeakPolarHBondContact CD-OH 3.43Å; F381-Y435 HydrophobicContact CE1-CE2 4.12Å; F381-Y435 HydrophobicContact CZ-CE2 4.27Å; A433-Y435 HydrophobicContact CB-CD2 4.42Å; A433-Y435 HydrophobicContact CB-CE2 3.65Å; Y435-L437 PolarHBondContact O-N 2.95Å; Y435-F453 HydrophobicContact CD1-CE1 4.3Å; Y435-F453 HydrophobicContact CG-CE1 4.18Å; Y435-F454 HydrophobicContact CD2-CD1 4.29Å; Y435-F454 HydrophobicContact CD2-CE1 4.08Å; Y435-F454 HydrophobicContact CE1-CD1 4.14Å; Y435-F454 AromaticContact CE2-CD1 3.83Å; Y435-F454 HydrophobicContact CE2-CD1 3.83Å; Y435-F454 AromaticContact CE2-CE1 3.9Å; Y435-F454 HydrophobicContact CE2-CE1 3.9Å; Y435-F454 AromaticContact CZ-CD1 3.76Å; Y435-N457 HydrophobicContact CD1-CB 4.25Å; Y435-N457 WeakPolarHBondContact CE1-O 3.4Å; Y435-R458 WeakPolarHBondContact CD1-O 3.31Å; Y435-A459 HydrophobicContact CD1-CB 4.43Å; Y435-A459 HydrophobicContact CE1-CB 4.06Å; Y435-A459 HydrophobicContact CE2-CB 4.47Å; Y435-Y483 CarbonylContact O-C 3.55Å; Y435-Y483 VanDerWaalsContact O-CA 3.26Å; Y435-Y483 WeakPolarHBondContact O-CA 3.19Å; Y435-L484 PolarHBondContact N-O 3.19Å; Y435-L484 PolarHBondContact O-N 3.13Å; Y435-V486 HydrophobicContact CD2-CG2 4.48Å
436D94.9Very high88.9Confident84 Ų8453.7 Ų53.745%0.44928%0.282SS..EExtended strand (participates in β ladder)trans-61.3132.5164.5-66.3-61.3000108.9P438 Y483D436-P438 WeakPolarHBondContact O-CD 3.4Å; D436-Y483 WeakPolarHBondContact OD1-CE1 3.46Å
437L92.4Very high89.5Confident19 Ų1950.9 Ų50.910%0.09927%0.268CS..PPolyproline II helixtrans-88.7116.9176-167.766.6000109.5V388 Y435 Y441 L449 E482V388-L437 HydrophobicContact CG1-CD2 3.97Å; V388-L437 HydrophobicContact CG2-CD2 3.94Å; Y435-L437 PolarHBondContact O-N 2.95Å; L437-Y441 HydrophobicContact CD1-CD2 4.36Å; L437-Y441 HydrophobicContact CD1-CG 4.36Å; L437-L449 HydrophobicContact CD1-CD1 3.81Å; L437-E482 HydrophobicContact CB-CB 4.01Å; L437-E482 VanDerWaalsContact CB-O 3.28Å; L437-E482 WeakPolarHBondContact CB-O 3.21Å; L437-E482 HydrophobicContact CD2-CB 4.2Å; L437-E482 PolarHBondContact N-O 2.78Å
438P90.8Very high89.6Confident37 Ų3750.1 Ų50.124%0.2426%0.264CS..PPolyproline II helixtrans-59.1146.8175.5-26.937000111.9D436 E440 Y441 F453D436-P438 WeakPolarHBondContact O-CD 3.4Å; P438-E440 HydrophobicContact CB-CG 3.89Å; P438-E440 PolarHBondContact O-N 3.27Å; P438-Y441 HydrophobicContact CB-CD2 4.22Å; P438-Y441 HydrophobicContact CG-CD2 4.33Å; P438-Y441 PolarHBondContact O-N 2.7Å; P438-F453 HydrophobicContact CG-CE2 3.92Å
439K87.1Confident89.7Confident202 Ų20248.1 Ų48.188%0.87826%0.255SS*.G310 helixtrans-54.6-24.9-179.1-67.2-174.6177.8-1770114.2Y441 S442K439-Y441 PolarHBondContact O-N 2.69Å; K439-S442 WeakPolarHBondContact O-CB 3.41Å; K439-S442 PolarHBondContact O-N 2.79Å
440E87.8Confident89.5Confident119 Ų11948.6 Ų48.656%0.55625%0.252SS*.G310 helixtrans-65.6-20.6175.762.3-174.6-145.400114P438 K444P438-E440 HydrophobicContact CB-CG 3.89Å; P438-E440 PolarHBondContact O-N 3.27Å; E440-K444 WeakPolarHBondContact O-CE 3.22Å; E440-K444 PolarHBondContact O-NZ 3.24Å
441Y85.2Confident89.3Confident60 Ų6052 Ų5224%0.23527%0.267CS..G310 helixtrans-107.2-1.5175.4-57.1-70.7000113.2L437 P438 K439 G443 K444 V447 L449 F453L437-Y441 HydrophobicContact CD1-CD2 4.36Å; L437-Y441 HydrophobicContact CD1-CG 4.36Å; P438-Y441 HydrophobicContact CB-CD2 4.22Å; P438-Y441 HydrophobicContact CG-CD2 4.33Å; P438-Y441 PolarHBondContact O-N 2.7Å; K439-Y441 PolarHBondContact O-N 2.69Å; Y441-G443 PolarHBondContact O-N 2.79Å; Y441-K444 WeakPolarHBondContact O-CB 3.46Å; Y441-K444 PolarHBondContact O-N 3.27Å; Y441-K444 VanDerWaalsContact O-N 3.11Å; Y441-V447 HydrophobicContact CD1-CG1 4.05Å; Y441-V447 HydrophobicContact CE1-CG1 4.2Å; Y441-L449 HydrophobicContact CD1-CD2 3.65Å; Y441-L449 HydrophobicContact CD2-CD2 3.95Å; Y441-L449 HydrophobicContact CE1-CD2 3.58Å; Y441-L449 HydrophobicContact CE2-CD2 3.89Å; Y441-L449 HydrophobicContact CG-CD2 3.86Å; Y441-F453 HydrophobicContact CE2-CD2 4.38Å
442S84.5Confident89.1Confident54 Ų5457.3 Ų57.338%0.37830%0.296SS..THydrogen-bonded Turntrans-63.2130.8-175.1177.60000111.9K439 K444 E482K439-S442 WeakPolarHBondContact O-CB 3.41Å; K439-S442 PolarHBondContact O-N 2.79Å; S442-K444 PolarHBondContact O-N 3.29Å; S442-E482 WeakPolarHBondContact CA-OE2 3.31Å; S442-E482 WeakPolarHBondContact CB-OE2 3.22Å; S442-E482 PolarHBondContact OG-OE1 2.96Å; S442-E482 PolarHBondContact OG-OE2 2.91Å
443G80.1Confident89Confident48 Ų4857.9 Ų57.950%0.49530%0.298SS..THydrogen-bonded Turntrans6710.1-176.600000115.8Y441 E482Y441-G443 PolarHBondContact O-N 2.79Å; G443-E482 PolarHBondContact N-OE2 2.85Å
444K82.8Confident89Confident103 Ų10357.7 Ų57.745%0.44830%0.295SS..  trans-89.3123.6174.5-63.6-171.8-179.7165.90110.3E440 Y441 S442 V447 I513E440-K444 WeakPolarHBondContact O-CE 3.22Å; E440-K444 PolarHBondContact O-NZ 3.24Å; Y441-K444 WeakPolarHBondContact O-CB 3.46Å; Y441-K444 PolarHBondContact O-N 3.27Å; Y441-K444 VanDerWaalsContact O-N 3.11Å; S442-K444 PolarHBondContact O-N 3.29Å; K444-V447 HydrophobicContact CB-CG2 4.03Å; K444-V447 HydrophobicContact CD-CG2 3.98Å; K444-I513 WeakPolarHBondContact O-CG2 3.48Å
445T75Confident88.8Confident60 Ų6061.5 Ų61.537%0.36832%0.315SS..  trans-97.7-23.4176.753.10000113.5V447 Q511 I513 D514T445-V447 PolarHBondContact O-N 2.87Å; T445-Q511 HydrophobicContact CG2-CB 4.26Å; T445-Q511 HydrophobicContact CG2-CG 4.31Å; T445-I513 WeakPolarHBondContact O-CA 3.37Å; T445-D514 PolarHBondContact O-N 3.42Å
446Q81.3Confident88.7Confident109 Ų10968.4 Ų68.451%0.50935%0.348SS..SBendtrans-100.752.5-174-58.2-57.9-23.500111.6D514 P516Q446-D514 CarbonylContact C-O 3.55Å; Q446-D514 VanDerWaalsContact CA-O 3.24Å; Q446-D514 WeakPolarHBondContact CA-O 3.44Å; Q446-P516 HydrophobicContact CB-CB 4.04Å; Q446-P516 HydrophobicContact CB-CG 4.08Å; Q446-P516 HydrophobicContact CG-CB 4.18Å; Q446-P516 VanDerWaalsContact OE1-CB 3.24Å
447V85.1Confident88.6Confident34 Ų3467.1 Ų67.121%0.20634%0.341CS..  trans-146.3126.3179.3179.30000110.4Y441 K444 T445 L449 I513 D514Y441-V447 HydrophobicContact CD1-CG1 4.05Å; Y441-V447 HydrophobicContact CE1-CG1 4.2Å; K444-V447 HydrophobicContact CB-CG2 4.03Å; K444-V447 HydrophobicContact CD-CG2 3.98Å; T445-V447 PolarHBondContact O-N 2.87Å; V447-L449 HydrophobicContact CG1-CD2 3.98Å; V447-I513 WeakPolarHBondContact O-CB 3.27Å; V447-I513 WeakPolarHBondContact O-CG1 3.4Å; V447-D514 PolarHBondContact N-O 2.92Å
448H89.3Confident88.7Confident3 Ų377.3 Ų77.31%0.01438%0.378CS..PPolyproline II helixtrans-100.2118.6164.1-169.791.9000110.6W382 N384 Q386 K450 D514 D515W382-H448 AromaticContact CE3-CD2 3.97Å; W382-H448 AromaticContact CE3-NE2 3.97Å; W382-H448 PolarHBondContact O-NE2 3.16Å; N384-H448 PolarHBondContact O-CE1 3.5Å; Q386-H448 PolarHBondContact NE2-CE1 2.78Å; Q386-H448 PolarHBondContact NE2-NE2 3.48Å; Q386-H448 VanDerWaalsContact NE2-NE2 3.16Å; H448-K450 WeakPolarHBondContact O-CD 3.5Å; H448-K450 VanDerWaalsContact O-CE 3.29Å; H448-K450 WeakPolarHBondContact O-CE 2.95Å; H448-K450 PolarHBondContact O-N 2.74Å; H448-D514 IonicContact ND1-OD1 2.76Å; H448-D515 VanDerWaalsContact CB-CG 3.48Å; H448-D515 WeakPolarHBondContact CB-OD1 3.25Å; H448-D515 WeakPolarHBondContact CB-OD2 2.97Å; H448-D515 PolarHBondContact N-OD1 3.4Å
449L92.1Very high88.9Confident5 Ų577.5 Ų77.53%0.02638%0.383CS..PPolyproline II helixtrans-70.5126.8-177.4-61.7175.9000110.7Q386 L437 Y441 V447 F453 F454 L484 I513Q386-L449 PolarHBondContact NE2-O 2.86Å; Q386-L449 VanDerWaalsContact OE1-CB 3.26Å; L437-L449 HydrophobicContact CD1-CD1 3.81Å; Y441-L449 HydrophobicContact CD1-CD2 3.65Å; Y441-L449 HydrophobicContact CD2-CD2 3.95Å; Y441-L449 HydrophobicContact CE1-CD2 3.58Å; Y441-L449 HydrophobicContact CE2-CD2 3.89Å; Y441-L449 HydrophobicContact CG-CD2 3.86Å; V447-L449 HydrophobicContact CG1-CD2 3.98Å; L449-F453 HydrophobicContact CB-CB 4.17Å; L449-F453 HydrophobicContact CB-CD1 4.08Å; L449-F453 HydrophobicContact CB-CG 4.09Å; L449-F453 HydrophobicContact CD1-CD1 3.89Å; L449-F453 HydrophobicContact CD1-CD2 4.06Å; L449-F453 HydrophobicContact CD1-CE1 3.82Å; L449-F453 HydrophobicContact CD1-CE2 3.99Å; L449-F453 HydrophobicContact CD1-CG 4.03Å; L449-F453 HydrophobicContact CD1-CZ 3.87Å; L449-F453 HydrophobicContact CD2-CD2 4.47Å; L449-F453 HydrophobicContact CG-CG 4.45Å; L449-F454 HydrophobicContact CB-CE2 4.3Å; L449-F454 HydrophobicContact CB-CZ 4.36Å; L449-F454 WeakPolarHBondContact O-CE2 3.3Å; L449-L484 HydrophobicContact CD1-CD2 3.7Å; L449-I513 HydrophobicContact CD1-CD1 4.44Å; L449-I513 HydrophobicContact CG-CD1 4.32Å
450K90.9Very high89.2Confident64 Ų6470 Ų7028%0.27836%0.359SS..PPolyproline II helixtrans-91.4173.2-172.7-50.1-65.8176175.90111.9W382 H448 N452 F453 D515 E633W382-K450 HydrophobicContact CE3-CB 4.35Å; W382-K450 HydrophobicContact CE3-CD 3.87Å; W382-K450 HydrophobicContact CH2-CD 4.25Å; W382-K450 HydrophobicContact CZ3-CD 3.45Å; W382-K450 VanDerWaalsContact CZ3-CD 3.45Å; H448-K450 WeakPolarHBondContact O-CD 3.5Å; H448-K450 VanDerWaalsContact O-CE 3.29Å; H448-K450 WeakPolarHBondContact O-CE 2.95Å; H448-K450 PolarHBondContact O-N 2.74Å; K450-N452 PolarHBondContact O-N 2.83Å; K450-F453 WeakPolarHBondContact O-CB 3.35Å; K450-F453 PolarHBondContact O-N 3.49Å; K450-D515 IonicContact NZ-OD1 2.81Å; K450-D515 IonicContact NZ-OD2 3.59Å; K450-D515 PolarHBondContact NZ-OD2 3.11Å; K450-E633 IonicContact NZ-OE1 2.56Å; K450-E633 PolarHBondContact NZ-OE1 3.08Å; K450-E633 IonicContact NZ-OE2 2.99Å
451K91.8Very high89.5Confident72 Ų7265.2 Ų65.231%0.31334%0.339SS..Hα-helixtrans-40.5-46.2-178.8-178.2171.9171.5179.90114.9D379 W382 F453 F454 L455D379-K451 WeakPolarHBondContact OD1-CE 3.09Å; D379-K451 IonicContact OD1-NZ 2.64Å; D379-K451 PolarHBondContact OD1-NZ 2.92Å; W382-K451 HydrophobicContact CD2-CB 4.47Å; W382-K451 HydrophobicContact CG-CB 3.98Å; K451-F453 VanDerWaalsContact C-N 3.28Å; K451-F453 PolarHBondContact O-N 3.3Å; K451-F454 PolarHBondContact O-N 2.93Å; K451-L455 HydrophobicContact CG-CD1 3.96Å; K451-L455 HydrophobicContact CG-CG 4.29Å; K451-L455 WeakPolarHBondContact O-CG 3.33Å; K451-L455 PolarHBondContact O-N 3.19Å
452N92.6Very high89.8Confident111 Ų11170.8 Ų70.859%0.59436%0.36SS*.Hα-helixtrans-61.1-34.6-176.4-73-22.2000113K450 F454 L455 H456K450-N452 PolarHBondContact O-N 2.83Å; N452-F454 PolarHBondContact O-N 2.97Å; N452-L455 PolarHBondContact O-N 3.34Å; N452-H456 PolarHBondContact O-N 3.3Å; N452-H456 PolarHBondContact O-ND1 2.78Å
453F94.9Very high90.2Very high16 Ų1668.5 Ų68.57%0.0734%0.343CS..Hα-helixtrans-58.2-51.4176.2172.9-95.8000110.9Y435 P438 Y441 L449 K450 K451 L455 H456 N457 L484Y435-F453 HydrophobicContact CD1-CE1 4.3Å; Y435-F453 HydrophobicContact CG-CE1 4.18Å; P438-F453 HydrophobicContact CG-CE2 3.92Å; Y441-F453 HydrophobicContact CE2-CD2 4.38Å; L449-F453 HydrophobicContact CB-CB 4.17Å; L449-F453 HydrophobicContact CB-CD1 4.08Å; L449-F453 HydrophobicContact CB-CG 4.09Å; L449-F453 HydrophobicContact CD1-CD1 3.89Å; L449-F453 HydrophobicContact CD1-CD2 4.06Å; L449-F453 HydrophobicContact CD1-CE1 3.82Å; L449-F453 HydrophobicContact CD1-CE2 3.99Å; L449-F453 HydrophobicContact CD1-CG 4.03Å; L449-F453 HydrophobicContact CD1-CZ 3.87Å; L449-F453 HydrophobicContact CD2-CD2 4.47Å; L449-F453 HydrophobicContact CG-CG 4.45Å; K450-F453 WeakPolarHBondContact O-CB 3.35Å; K450-F453 PolarHBondContact O-N 3.49Å; K451-F453 VanDerWaalsContact C-N 3.28Å; K451-F453 PolarHBondContact O-N 3.3Å; F453-L455 VanDerWaalsContact C-N 3.3Å; F453-L455 PolarHBondContact O-N 3.39Å; F453-H456 PolarHBondContact O-N 3.02Å; F453-N457 VanDerWaalsContact CD2-ND2 3.29Å; F453-N457 WeakPolarHBondContact CD2-ND2 3.46Å; F453-N457 HydrophobicContact CE1-CB 4.43Å; F453-N457 HydrophobicContact CE2-CB 4.33Å; F453-N457 WeakPolarHBondContact CE2-ND2 3.41Å; F453-N457 HydrophobicContact CZ-CB 4.18Å; F453-N457 WeakPolarHBondContact O-CB 3.07Å; F453-N457 PolarHBondContact O-N 3.22Å; F453-N457 PolarHBondContact O-ND2 3.49Å; F453-L484 HydrophobicContact CE1-CD2 3.95Å
454F95.8Very high90.3Very high5 Ų574 Ų742%0.02236%0.356CS..Hα-helixtrans-72.3-20.6-176.3-59.7-72.7000114.2R375 F381 W382 Y435 L449 K451 N452 L484 V486R375-F454 PolarHBondContact NE-O 3.37Å; R375-F454 PolarHBondContact NH2-O 3.15Å; F381-F454 HydrophobicContact CD1-CB 4.22Å; F381-F454 AromaticContact CD1-CD1 4Å; F381-F454 HydrophobicContact CD1-CD1 4Å; F381-F454 HydrophobicContact CD1-CD2 4.33Å; F381-F454 HydrophobicContact CD1-CE1 4.44Å; F381-F454 AromaticContact CD1-CG 3.91Å; F381-F454 HydrophobicContact CD1-CG 3.91Å; F381-F454 HydrophobicContact CE1-CB 4.49Å; F381-F454 AromaticContact CE1-CD1 3.56Å; F381-F454 HydrophobicContact CE1-CD1 3.56Å; F381-F454 AromaticContact CE1-CE1 3.82Å; F381-F454 HydrophobicContact CE1-CE1 3.82Å; F381-F454 AromaticContact CE1-CG 3.98Å; F381-F454 HydrophobicContact CE1-CG 3.98Å; F381-F454 HydrophobicContact CE1-CZ 4.45Å; W382-F454 HydrophobicContact CB-CD2 3.51Å; W382-F454 HydrophobicContact CB-CE2 3.56Å; Y435-F454 HydrophobicContact CD2-CD1 4.29Å; Y435-F454 HydrophobicContact CD2-CE1 4.08Å; Y435-F454 HydrophobicContact CE1-CD1 4.14Å; Y435-F454 AromaticContact CE2-CD1 3.83Å; Y435-F454 HydrophobicContact CE2-CD1 3.83Å; Y435-F454 AromaticContact CE2-CE1 3.9Å; Y435-F454 HydrophobicContact CE2-CE1 3.9Å; Y435-F454 AromaticContact CZ-CD1 3.76Å; L449-F454 HydrophobicContact CB-CE2 4.3Å; L449-F454 HydrophobicContact CB-CZ 4.36Å; L449-F454 WeakPolarHBondContact O-CE2 3.3Å; K451-F454 PolarHBondContact O-N 2.93Å; N452-F454 PolarHBondContact O-N 2.97Å; F454-L484 HydrophobicContact CE1-CD2 3.74Å; F454-L484 HydrophobicContact CZ-CD2 3.8Å; F454-V486 HydrophobicContact CE1-CG2 3.8Å; F454-V486 HydrophobicContact CZ-CG2 3.99Å
455L94Very high90.5Very high82 Ų8273.1 Ų73.143%0.42936%0.36SS..Hα-helixtrans-74.2-33.3173.2-70.5179.3000112.3P378 K451 N452 F453P378-L455 HydrophobicContact CB-CD2 3.96Å; K451-L455 HydrophobicContact CG-CD1 3.96Å; K451-L455 HydrophobicContact CG-CG 4.29Å; K451-L455 WeakPolarHBondContact O-CG 3.33Å; K451-L455 PolarHBondContact O-N 3.19Å; N452-L455 PolarHBondContact O-N 3.34Å; F453-L455 VanDerWaalsContact C-N 3.3Å; F453-L455 PolarHBondContact O-N 3.39Å
456H93.4Very high91.4Very high150 Ų15073 Ų7369%0.69435%0.354SS*.Hα-helixtrans-98.5-20.6-175.7-63.193.8000113.7N452 F453N452-H456 PolarHBondContact O-N 3.3Å; N452-H456 PolarHBondContact O-ND1 2.78Å; F453-H456 PolarHBondContact O-N 3.02Å
457N94.1Very high91.7Very high57 Ų5770.1 Ų70.131%0.30534%0.342SS..  trans-104.5137.3-179.6-64.5-79.5000111.3Y435 F453Y435-N457 HydrophobicContact CD1-CB 4.25Å; Y435-N457 WeakPolarHBondContact CE1-O 3.4Å; F453-N457 VanDerWaalsContact CD2-ND2 3.29Å; F453-N457 WeakPolarHBondContact CD2-ND2 3.46Å; F453-N457 HydrophobicContact CE1-CB 4.43Å; F453-N457 HydrophobicContact CE2-CB 4.33Å; F453-N457 WeakPolarHBondContact CE2-ND2 3.41Å; F453-N457 HydrophobicContact CZ-CB 4.18Å; F453-N457 WeakPolarHBondContact O-CB 3.07Å; F453-N457 PolarHBondContact O-N 3.22Å; F453-N457 PolarHBondContact O-ND2 3.49Å
458R93.6Very high91.9Very high232 Ų23272.4 Ų72.488%0.87535%0.353SS*.  trans-89.3150.5171.7-67.5-175.3178.1-170.2-0.1109.4Y435 A460Y435-R458 WeakPolarHBondContact CD1-O 3.31Å; R458-A460 PolarHBondContact O-N 3.29Å
459A94.6Very high91.7Very high41 Ų4175.8 Ų75.834%0.33937%0.371SS..EExtended strand (participates in β ladder)trans-67.1130.617300000109.4I434 Y435I434-A459 CarbonylContact O-C 3.19Å; I434-A459 VanDerWaalsContact O-CA 3.26Å; I434-A459 WeakPolarHBondContact O-CA 3.4Å; I434-A459 WeakPolarHBondContact O-CB 3.37Å; Y435-A459 HydrophobicContact CD1-CB 4.43Å; Y435-A459 HydrophobicContact CE1-CB 4.06Å; Y435-A459 HydrophobicContact CE2-CB 4.47Å
460A93.6Very high91.6Very high46 Ų4676.1 Ų76.138%0.3837%0.372SS..EExtended strand (participates in β ladder)trans-69.9-38.8172.200000110.5I434 R458 Y483I434-A460 PolarHBondContact O-N 2.74Å; R458-A460 PolarHBondContact O-N 3.29Å; A460-Y483 HydrophobicContact CB-CD1 4.47Å; A460-Y483 HydrophobicContact CB-CE1 4.25Å
461A93.9Very high91.6Very high17 Ų1773.9 Ų73.914%0.1436%0.362CS..EExtended strand (participates in β ladder)trans-148.2167.4172.600000109.9I434 F476 L478I434-A461 WeakPolarHBondContact CA-O 3.22Å; I434-A461 HydrophobicContact CB-CB 4.11Å; I434-A461 HydrophobicContact CD1-CB 4.22Å; I434-A461 HydrophobicContact CG1-CB 4.41Å; I434-A461 PolarHBondContact N-O 3.27Å; I434-A461 PolarHBondContact O-N 2.84Å; A461-F476 HydrophobicContact CB-CD1 3.62Å; A461-F476 HydrophobicContact CB-CE1 3.76Å; A461-F476 HydrophobicContact CB-CG 4.33Å; A461-L478 HydrophobicContact CB-CD2 4.19Å
462R93.4Very high91.6Very high178 Ų17871.1 Ų71.167%0.67235%0.351SS*.EExtended strand (participates in β ladder)trans-157.8162.3175.958.1-179.8-178.4-177.11.8108.9F432 A433 E464 F476F432-R462 WeakPolarHBondContact O-CA 3.48Å; A433-R462 HydrophobicContact CB-CB 4.46Å; R462-E464 PolarHBondContact O-N 3.29Å; R462-F476 WeakPolarHBondContact O-CE1 3.48Å
463S91.2Very high91.6Very high5 Ų566.9 Ų66.94%0.03533%0.33CS..  trans-57.3140.7167.367.90000110.3F432 T465 N474F432-S463 PolarHBondContact N-OG 3.02Å; F432-S463 PolarHBondContact O-N 2.77Å; S463-T465 PolarHBondContact O-N 2.97Å; S463-T465 PolarHBondContact OG-O 2.75Å; S463-N474 VanDerWaalsContact CA-OD1 3.25Å; S463-N474 WeakPolarHBondContact CA-OD1 3.29Å; S463-N474 VanDerWaalsContact CB-OD1 3.3Å; S463-N474 WeakPolarHBondContact CB-OD1 3.48Å
464E83.1Confident91.4Very high164 Ų16467 Ų6777%0.76633%0.331SS*.SBendtrans-59.6-40.8-174.5-69.6-177.8174.100111.6R462 N474R462-E464 PolarHBondContact O-N 3.29Å; E464-N474 PolarHBondContact N-OD1 3.22Å
465T87.8Confident91.3Very high84 Ų8469.7 Ų69.752%0.51534%0.341SS..SBendtrans-140.5166.117558.70000110.1S463S463-T465 PolarHBondContact O-N 2.97Å; S463-T465 PolarHBondContact OG-O 2.75Å
466F91.9Very high91.2Very high59 Ų5967 Ų6726%0.25933%0.326SS..  trans-93.4126.9163.7-90.6-108.8000107C374 T429 I430 G431 S488 F490C374-F466 HydrophobicContact CB-CE1 3.69Å; C374-F466 HydrophobicContact CB-CE2 3.98Å; C374-F466 HydrophobicContact CB-CZ 3.38Å; T429-F466 VanDerWaalsContact CG2-C 3.43Å; T429-F466 HydrophobicContact CG2-CB 3.71Å; T429-F466 WeakPolarHBondContact CG2-O 3.45Å; I430-F466 VanDerWaalsContact O-CA 3.3Å; I430-F466 WeakPolarHBondContact O-CA 3.46Å; G431-F466 VanDerWaalsContact CA-CE1 3.44Å; G431-F466 VanDerWaalsContact N-CE1 3.32Å; F466-S488 WeakPolarHBondContact CE1-O 3.29Å; F466-S488 WeakPolarHBondContact CZ-OG 3.38Å; F466-F490 HydrophobicContact CB-CB 4.36Å; F466-F490 HydrophobicContact CB-CD2 3.79Å; F466-F490 HydrophobicContact CB-CG 4.49Å; F466-F490 HydrophobicContact CD1-CB 3.69Å; F466-F490 AromaticContact CD1-CD2 3.95Å; F466-F490 HydrophobicContact CD1-CD2 3.95Å; F466-F490 HydrophobicContact CD1-CG 4.34Å; F466-F490 HydrophobicContact CD2-CD2 4.32Å; F466-F490 HydrophobicContact CE1-CB 4.36Å; F466-F490 HydrophobicContact CG-CB 4.28Å; F466-F490 AromaticContact CG-CD2 3.76Å; F466-F490 HydrophobicContact CG-CD2 3.76Å
467I89.4Confident91Very high47 Ų4763.2 Ų63.224%0.24131%0.306CS..BIsolated β-bridgetrans-133.3149-172-157.1170.4000111.5T429 I430 L469 L472T429-I467 WeakPolarHBondContact CA-O 3.09Å; I430-I467 PolarHBondContact N-O 2.9Å; I430-I467 PolarHBondContact O-N 2.95Å; I467-L469 VanDerWaalsContact C-N 3.31Å; I467-L469 HydrophobicContact CD1-CD1 3.64Å; I467-L469 HydrophobicContact CD1-CG 3.84Å; I467-L469 HydrophobicContact CG1-CD1 4.3Å; I467-L469 HydrophobicContact CG1-CG 3.96Å; I467-L469 HydrophobicContact CG2-CB 4.09Å; I467-L469 HydrophobicContact CG2-CD1 4.23Å; I467-L469 HydrophobicContact CG2-CG 4.05Å; I467-L469 PolarHBondContact O-N 3.32Å; I467-L472 HydrophobicContact CG2-CB 4.22Å; I467-L472 HydrophobicContact CG2-CD1 3.67Å; I467-L472 HydrophobicContact CG2-CG 4.4Å
468N87.7Confident90.9Very high83 Ų8361.2 Ų61.244%0.44430%0.295SS..  trans-92.356.1177.364.3-38.3000111.4M427M427-N468 HydrophobicContact CB-CB 4.47Å
469L86.4Confident90.8Very high74 Ų7452.4 Ų52.439%0.38727%0.267SS..SBendtrans-109.5165.2172.9-65.3-178.8000111Q414 I467 E471Q414-L469 PolarHBondContact NE2-O 3.21Å; I467-L469 VanDerWaalsContact C-N 3.31Å; I467-L469 HydrophobicContact CD1-CD1 3.64Å; I467-L469 HydrophobicContact CD1-CG 3.84Å; I467-L469 HydrophobicContact CG1-CD1 4.3Å; I467-L469 HydrophobicContact CG1-CG 3.96Å; I467-L469 HydrophobicContact CG2-CB 4.09Å; I467-L469 HydrophobicContact CG2-CD1 4.23Å; I467-L469 HydrophobicContact CG2-CG 4.05Å; I467-L469 PolarHBondContact O-N 3.32Å; L469-E471 VanDerWaalsContact C-N 3.33Å; L469-E471 PolarHBondContact O-N 2.76Å
470R88.8Confident90.7Very high11 Ų1153.4 Ų53.44%0.04227%0.271CS..SBendtrans-58.2-45.7174.7-172178.579.3159.812.6111.7E202 E205 D206 M413 Q414 M427E202-R470 VanDerWaalsContact CA-NH2 3.3Å; E202-R470 PolarHBondContact O-NH2 3.48Å; E202-R470 VanDerWaalsContact O-NH2 3.11Å; E202-R470 IonicContact OE2-NE 2.79Å; E202-R470 IonicContact OE2-NH1 3.47Å; E205-R470 IonicContact OE2-CZ 3.17Å; E205-R470 IonicContact OE2-NE 3.96Å; E205-R470 IonicContact OE2-NH2 3Å; E205-R470 PolarHBondContact OE2-NH2 2.89Å; D206-R470 VanDerWaalsContact CG-NH1 3.28Å; D206-R470 IonicContact OD1-CZ 2.67Å; D206-R470 VanDerWaalsContact OD1-CZ 3.24Å; D206-R470 IonicContact OD1-NH1 2.88Å; D206-R470 PolarHBondContact OD1-NH1 3.28Å; D206-R470 IonicContact OD1-NH2 3.44Å; D206-R470 PolarHBondContact OD1-NH2 3.47Å; D206-R470 IonicContact OD2-NH1 3.25Å; D206-R470 PolarHBondContact OD2-NH1 3.16Å; M413-R470 CarbonylContact C-O 3.51Å; M413-R470 WeakPolarHBondContact CA-O 3.33Å; M413-R470 HydrophobicContact CG-CG 4.3Å; Q414-R470 WeakPolarHBondContact CG-O 3.28Å; Q414-R470 PolarHBondContact N-O 3.31Å; M427-R470 HydrophobicContact CE-CB 3.82Å; M427-R470 HydrophobicContact CE-CG 4.08Å; M427-R470 HydrophobicContact SD-CB 4.46Å
471E91.1Very high90.7Very high17 Ų1752.5 Ų52.58%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-133.5141.7174.2-179.9160.1-161.300110.7G411 L412 M413 L469 R501G411-E471 WeakPolarHBondContact CA-OE1 3.07Å; L412-E471 VanDerWaalsContact O-CA 3.31Å; L412-E471 WeakPolarHBondContact O-CA 3.22Å; M413-E471 HydrophobicContact CB-CB 3.91Å; M413-E471 HydrophobicContact CB-CG 4Å; M413-E471 HydrophobicContact CE-CB 4.17Å; M413-E471 WeakPolarHBondContact CE-OE2 3.47Å; M413-E471 HydrophobicContact CG-CB 4.14Å; L469-E471 VanDerWaalsContact C-N 3.33Å; L469-E471 PolarHBondContact O-N 2.76Å; E471-R501 IonicContact OE1-CZ 2.69Å; E471-R501 IonicContact OE1-NE 3.86Å; E471-R501 PolarHBondContact OE1-NE 2.83Å; E471-R501 IonicContact OE1-NH2 3.98Å; E471-R501 PolarHBondContact OE1-NH2 3.48Å; E471-R501 IonicContact OE2-CZ 3.78Å; E471-R501 IonicContact OE2-NE 2.72Å; E471-R501 PolarHBondContact OE2-NE 2.8Å; E471-R501 IonicContact OE2-NH2 2.72Å; E471-R501 PolarHBondContact OE2-NH2 3.01Å
472L91.3Very high90.7Very high15 Ų1552.9 Ų52.98%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-109.6120.2168.9174.570.5000108.5G411 L412 I430 F432 I467G411-L472 WeakPolarHBondContact CA-O 3.32Å; L412-L472 PolarHBondContact N-O 3Å; L412-L472 PolarHBondContact O-N 3.02Å; I430-L472 HydrophobicContact CD1-CB 4.38Å; F432-L472 HydrophobicContact CD1-CD2 4.35Å; F432-L472 HydrophobicContact CE1-CD2 4.31Å; F432-L472 HydrophobicContact CE1-CG 4.45Å; I467-L472 HydrophobicContact CG2-CB 4.22Å; I467-L472 HydrophobicContact CG2-CD1 3.67Å; I467-L472 HydrophobicContact CG2-CG 4.4Å
473C92.8Very high90.7Very high22 Ų2244.6 Ų44.615%0.14923%0.233CC..EExtended strand (participates in β ladder)trans-121.1129.5-179.3-178.20000110.7A212 I409 V410A212-C473 WeakPolarHBondContact O-CB 3.22Å; I409-C473 WeakPolarHBondContact CG2-SG 3.38Å; V410-C473 WeakPolarHBondContact O-CA 3.49Å
474N92.4Very high90.9Very high19 Ų1944.3 Ų44.310%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-134.6141172.5-71.3119.2000111.5I409 V410 F432 S463 E464 F476I409-N474 WeakPolarHBondContact CA-O 3.45Å; V410-N474 PolarHBondContact N-O 2.92Å; V410-N474 PolarHBondContact O-N 3.13Å; F432-N474 HydrophobicContact CZ-CB 4.13Å; S463-N474 VanDerWaalsContact CA-OD1 3.25Å; S463-N474 WeakPolarHBondContact CA-OD1 3.29Å; S463-N474 VanDerWaalsContact CB-OD1 3.3Å; S463-N474 WeakPolarHBondContact CB-OD1 3.48Å; E464-N474 PolarHBondContact N-OD1 3.22Å; N474-F476 HydrophobicContact CB-CE1 4.23Å; N474-F476 HydrophobicContact CB-CE2 3.68Å; N474-F476 HydrophobicContact CB-CZ 3.45Å; N474-F476 VanDerWaalsContact CB-CZ 3.45Å; N474-F476 WeakPolarHBondContact O-CE2 3.31Å
475R92.3Very high91.5Very high61 Ų6136.6 Ų36.623%0.2320%0.195CC..EExtended strand (participates in β ladder)trans-93.6137.7172.9177-179.4-70.1-100.51.9110.7E213 V408 I409E213-R475 IonicContact OE1-CZ 2.85Å; E213-R475 IonicContact OE1-NE 2.8Å; E213-R475 IonicContact OE1-NH2 3.28Å; E213-R475 PolarHBondContact OE1-NH2 3.24Å; E213-R475 WeakPolarHBondContact OE2-CB 3.38Å; E213-R475 IonicContact OE2-CZ 3.76Å; E213-R475 IonicContact OE2-NE 3.1Å; E213-R475 PolarHBondContact OE2-NE 3.44Å; E213-R475 IonicContact OE2-NH2 3.46Å; E213-R475 PolarHBondContact OE2-NH2 3.01Å; V408-R475 CarbonylContact O-C 3.55Å; V408-R475 WeakPolarHBondContact O-CA 3.1Å; I409-R475 HydrophobicContact CG1-CB 4.4Å; I409-R475 HydrophobicContact CG1-CG 4.39Å
476F91.6Very high92Very high26 Ų2632.6 Ų32.611%0.11417%0.171CC..EExtended strand (participates in β ladder)trans-130.7149178.1-54.6-76.3000110.5V408 V410 F432 I434 A461 R462 N474 L478V408-F476 PolarHBondContact N-O 3.27Å; V408-F476 PolarHBondContact O-N 3.29Å; V410-F476 HydrophobicContact CB-CE2 4.25Å; V410-F476 HydrophobicContact CG2-CD2 4.22Å; V410-F476 HydrophobicContact CG2-CE2 4.2Å; F432-F476 AromaticContact CE2-CE2 3.56Å; F432-F476 HydrophobicContact CE2-CE2 3.56Å; F432-F476 AromaticContact CE2-CZ 3.65Å; F432-F476 HydrophobicContact CE2-CZ 3.65Å; F432-F476 AromaticContact CZ-CE2 3.76Å; F432-F476 HydrophobicContact CZ-CE2 3.76Å; F432-F476 AromaticContact CZ-CZ 3.94Å; F432-F476 HydrophobicContact CZ-CZ 3.94Å; I434-F476 HydrophobicContact CD1-CD2 3.82Å; I434-F476 HydrophobicContact CD1-CE2 3.72Å; I434-F476 HydrophobicContact CD1-CG 4.33Å; I434-F476 HydrophobicContact CD1-CZ 4.16Å; A461-F476 HydrophobicContact CB-CD1 3.62Å; A461-F476 HydrophobicContact CB-CE1 3.76Å; A461-F476 HydrophobicContact CB-CG 4.33Å; R462-F476 WeakPolarHBondContact O-CE1 3.48Å; N474-F476 HydrophobicContact CB-CE1 4.23Å; N474-F476 HydrophobicContact CB-CE2 3.68Å; N474-F476 HydrophobicContact CB-CZ 3.45Å; N474-F476 VanDerWaalsContact CB-CZ 3.45Å; N474-F476 WeakPolarHBondContact O-CE2 3.31Å; F476-L478 HydrophobicContact CB-CD1 4.42Å; F476-L478 HydrophobicContact CB-CD2 4.42Å; F476-L478 HydrophobicContact CB-CG 4.05Å
477R89.7Confident92.2Very high70 Ų7029.8 Ų29.826%0.26416%0.159SC..EExtended strand (participates in β ladder)trans-115.3103.5165.2-63-173.389.8163.39.6107.3D400 R405 C406D400-R477 IonicContact OD2-CZ 3.17Å; D400-R477 VanDerWaalsContact OD2-CZ 3.28Å; D400-R477 IonicContact OD2-NH1 3.38Å; D400-R477 PolarHBondContact OD2-NH1 3.45Å; D400-R477 IonicContact OD2-NH2 2.64Å; D400-R477 PolarHBondContact OD2-NH2 3.01Å; R405-R477 HydrophobicContact CB-CB 4.07Å; R405-R477 HydrophobicContact CG-CB 4.3Å; C406-R477 WeakPolarHBondContact O-CA 3.41Å
478L91.9Very high92.6Very high14 Ų1427.6 Ų27.67%0.07315%0.148CC..EExtended strand (participates in β ladder)trans-109.7145.5-176.3-62.5176.3000109.5L391 R405 C406 I434 A461 F476 Y483L391-L478 HydrophobicContact CD1-CB 3.9Å; L391-L478 HydrophobicContact CD1-CD1 4.23Å; R405-L478 WeakPolarHBondContact CA-O 2.87Å; C406-L478 PolarHBondContact N-O 3.21Å; C406-L478 PolarHBondContact O-N 3.47Å; I434-L478 HydrophobicContact CG2-CD1 4.36Å; A461-L478 HydrophobicContact CB-CD2 4.19Å; F476-L478 HydrophobicContact CB-CD1 4.42Å; F476-L478 HydrophobicContact CB-CD2 4.42Å; F476-L478 HydrophobicContact CB-CG 4.05Å; L478-Y483 HydrophobicContact CB-CE1 4.41Å; L478-Y483 HydrophobicContact CB-CE2 4.05Å; L478-Y483 HydrophobicContact CD1-CD1 4.08Å; L478-Y483 HydrophobicContact CD1-CD2 4.2Å; L478-Y483 HydrophobicContact CD1-CE1 4.09Å; L478-Y483 HydrophobicContact CD1-CE2 4.23Å; L478-Y483 HydrophobicContact CD1-CG 4.15Å; L478-Y483 HydrophobicContact CD2-CE1 4.41Å
479P92.5Very high93Very high47 Ų4723.7 Ų23.731%0.30513%0.127SC..  trans-61.6161.1168.518-19.3000111.4R405 G481 Y483R405-P479 VanDerWaalsContact NH1-CB 3.29Å; P479-G481 PolarHBondContact O-N 3.48Å; P479-Y483 WeakPolarHBondContact CD-OH 3.42Å; P479-Y483 WeakPolarHBondContact CG-OH 3.25Å; P479-Y483 WeakPolarHBondContact O-CE2 3.48Å; P479-Y483 PolarHBondContact O-OH 3.43Å
480P92.9Very high93.5Very high63 Ų6323.6 Ų23.641%0.40912%0.123SC..SBendtrans-56.1133170.1-25.734.6000111.6L391 V394L391-P480 CarbonylContact O-C 3.51Å; L391-P480 VanDerWaalsContact O-CA 3.26Å; L391-P480 WeakPolarHBondContact O-CA 3.4Å; V394-P480 HydrophobicContact CG1-CG 3.62Å
481G92.3Very high93.9Very high27 Ų2727.4 Ų27.428%0.27814%0.142SC..EExtended strand (participates in β ladder)trans167.8178.2-17200000113.5L391 P479L391-G481 PolarHBondContact N-O 2.59Å; L391-G481 PolarHBondContact O-N 3.04Å; P479-G481 PolarHBondContact O-N 3.48Å
482E93.8Very high94Very high24 Ų2428 Ų2811%0.11215%0.147CC..EExtended strand (participates in β ladder)trans-106132173-71.9179-161.900109.1V388 I389 K390 L437 S442 G443V388-E482 HydrophobicContact CG1-CB 4.39Å; I389-E482 WeakPolarHBondContact O-CA 3.47Å; K390-E482 HydrophobicContact CB-CG 3.9Å; K390-E482 HydrophobicContact CD-CG 3.95Å; K390-E482 WeakPolarHBondContact CD-OE1 3.45Å; K390-E482 VanDerWaalsContact CE-OE1 3.28Å; K390-E482 WeakPolarHBondContact CE-OE1 3.37Å; K390-E482 HydrophobicContact CG-CG 3.67Å; K390-E482 IonicContact NZ-OE1 3.49Å; K390-E482 PolarHBondContact NZ-OE1 3.1Å; L437-E482 HydrophobicContact CB-CB 4.01Å; L437-E482 VanDerWaalsContact CB-O 3.28Å; L437-E482 WeakPolarHBondContact CB-O 3.21Å; L437-E482 HydrophobicContact CD2-CB 4.2Å; L437-E482 PolarHBondContact N-O 2.78Å; S442-E482 WeakPolarHBondContact CA-OE2 3.31Å; S442-E482 WeakPolarHBondContact CB-OE2 3.22Å; S442-E482 PolarHBondContact OG-OE1 2.96Å; S442-E482 PolarHBondContact OG-OE2 2.91Å; G443-E482 PolarHBondContact N-OE2 2.85Å
483Y94.5Very high94Very high4 Ų431.4 Ų31.42%0.01617%0.165CC..EExtended strand (participates in β ladder)trans-129.2132.6-171.7-66-83.4000110.7V388 I389 L391 I434 Y435 D436 A460 L478 P479V388-Y483 CarbonylContact C-O 3.58Å; V388-Y483 VanDerWaalsContact CA-O 3.22Å; V388-Y483 WeakPolarHBondContact CA-O 3.06Å; I389-Y483 PolarHBondContact N-O 3.14Å; I389-Y483 PolarHBondContact O-N 3.48Å; L391-Y483 HydrophobicContact CD1-CD2 3.86Å; L391-Y483 HydrophobicContact CD1-CE2 3.78Å; L391-Y483 HydrophobicContact CG-CD2 4.22Å; L391-Y483 HydrophobicContact CG-CE2 4.35Å; I434-Y483 HydrophobicContact CG2-CD1 3.92Å; I434-Y483 HydrophobicContact CG2-CG 4.21Å; Y435-Y483 CarbonylContact O-C 3.55Å; Y435-Y483 VanDerWaalsContact O-CA 3.26Å; Y435-Y483 WeakPolarHBondContact O-CA 3.19Å; D436-Y483 WeakPolarHBondContact OD1-CE1 3.46Å; A460-Y483 HydrophobicContact CB-CD1 4.47Å; A460-Y483 HydrophobicContact CB-CE1 4.25Å; L478-Y483 HydrophobicContact CB-CE1 4.41Å; L478-Y483 HydrophobicContact CB-CE2 4.05Å; L478-Y483 HydrophobicContact CD1-CD1 4.08Å; L478-Y483 HydrophobicContact CD1-CD2 4.2Å; L478-Y483 HydrophobicContact CD1-CE1 4.09Å; L478-Y483 HydrophobicContact CD1-CE2 4.23Å; L478-Y483 HydrophobicContact CD1-CG 4.15Å; L478-Y483 HydrophobicContact CD2-CE1 4.41Å; P479-Y483 WeakPolarHBondContact CD-OH 3.42Å; P479-Y483 WeakPolarHBondContact CG-OH 3.25Å; P479-Y483 WeakPolarHBondContact O-CE2 3.48Å; P479-Y483 PolarHBondContact O-OH 3.43Å
484L95.6Very high94Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-91.3126.1170.7176.477.3000110Q386 F387 V388 I434 Y435 L449 F453 F454 V486 I513Q386-L484 HydrophobicContact CB-CD1 3.81Å; Q386-L484 HydrophobicContact CG-CD1 4.25Å; F387-L484 CarbonylContact O-C 3.57Å; F387-L484 WeakPolarHBondContact O-CA 3.47Å; V388-L484 HydrophobicContact CG2-CD1 4.18Å; I434-L484 CarbonylContact C-O 3.48Å; I434-L484 VanDerWaalsContact CA-O 3.26Å; I434-L484 WeakPolarHBondContact CA-O 3.31Å; Y435-L484 PolarHBondContact N-O 3.19Å; Y435-L484 PolarHBondContact O-N 3.13Å; L449-L484 HydrophobicContact CD1-CD2 3.7Å; F453-L484 HydrophobicContact CE1-CD2 3.95Å; F454-L484 HydrophobicContact CE1-CD2 3.74Å; F454-L484 HydrophobicContact CZ-CD2 3.8Å; L484-V486 HydrophobicContact CD2-CG2 3.75Å; L484-V486 HydrophobicContact CG-CG2 3.97Å; L484-I513 HydrophobicContact CD1-CD1 3.59Å; L484-I513 HydrophobicContact CD1-CG1 4.15Å
485I96Very high93.8Very high1 Ų136.7 Ų36.71%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-107.1131.1173-54.4173.6000108.9F387 I389 V410 F432 A433 I434 V502F387-I485 HydrophobicContact CD2-CB 3.77Å; F387-I485 HydrophobicContact CD2-CD1 4.19Å; F387-I485 HydrophobicContact CD2-CG1 4.36Å; F387-I485 HydrophobicContact CD2-CG2 4.4Å; F387-I485 HydrophobicContact CE1-CB 4.46Å; F387-I485 HydrophobicContact CE1-CG2 4.33Å; F387-I485 HydrophobicContact CE2-CB 3.27Å; F387-I485 HydrophobicContact CE2-CD1 3.65Å; F387-I485 HydrophobicContact CE2-CG1 3.96Å; F387-I485 HydrophobicContact CE2-CG2 3.45Å; F387-I485 VanDerWaalsContact CE2-CG2 3.45Å; F387-I485 HydrophobicContact CZ-CB 3.63Å; F387-I485 HydrophobicContact CZ-CG2 3.34Å; F387-I485 PolarHBondContact N-O 3.49Å; F387-I485 PolarHBondContact O-N 3.22Å; I389-I485 HydrophobicContact CG2-CD1 3.88Å; I389-I485 HydrophobicContact CG2-CG1 4.37Å; V410-I485 HydrophobicContact CG1-CD1 4.48Å; V410-I485 HydrophobicContact CG1-CG2 4.48Å; V410-I485 HydrophobicContact CG2-CD1 4.07Å; F432-I485 HydrophobicContact CB-CG2 4.4Å; F432-I485 HydrophobicContact CD2-CG2 4.31Å; A433-I485 WeakPolarHBondContact O-CA 3.26Å; I434-I485 HydrophobicContact CD1-CG1 4.47Å; I434-I485 HydrophobicContact CG1-CG1 4.15Å; I434-I485 HydrophobicContact CG2-CG1 4.3Å; I485-V502 HydrophobicContact CD1-CG2 4.21Å
486V97Very high93.7Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-123.399.5179.9-172.80000109.6F381 N384 Q386 F432 A433 Y435 F454 L484F381-V486 HydrophobicContact CE1-CB 4.48Å; F381-V486 HydrophobicContact CE1-CG1 4.19Å; F381-V486 HydrophobicContact CE2-CG1 3.93Å; F381-V486 HydrophobicContact CZ-CB 3.87Å; F381-V486 HydrophobicContact CZ-CG1 3.64Å; F381-V486 HydrophobicContact CZ-CG2 4.45Å; N384-V486 HydrophobicContact CB-CG1 3.75Å; Q386-V486 HydrophobicContact CG-CG2 4.31Å; F432-V486 VanDerWaalsContact CA-O 3.29Å; F432-V486 WeakPolarHBondContact CA-O 3.4Å; A433-V486 PolarHBondContact N-O 3.01Å; A433-V486 VanDerWaalsContact N-O 3.08Å; A433-V486 PolarHBondContact O-N 2.85Å; Y435-V486 HydrophobicContact CD2-CG2 4.48Å; F454-V486 HydrophobicContact CE1-CG2 3.8Å; F454-V486 HydrophobicContact CZ-CG2 3.99Å; L484-V486 HydrophobicContact CD2-CG2 3.75Å; L484-V486 HydrophobicContact CG-CG2 3.97Å
487P96.9Very high93.7Very high1 Ų135.4 Ų35.41%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-79.9141.6174.136-39.8000111.3W365 N384 P385 F387 L412 F432 F498 V500W365-P487 HydrophobicContact CZ2-CB 4.11Å; W365-P487 PolarHBondContact NE1-O 3.1Å; N384-P487 WeakPolarHBondContact CB-O 3.09Å; P385-P487 WeakPolarHBondContact O-CD 3.37Å; F387-P487 VanDerWaalsContact CE1-CD 3.41Å; F387-P487 HydrophobicContact CE1-CG 3.69Å; F387-P487 HydrophobicContact CZ-CG 4.32Å; L412-P487 HydrophobicContact CD1-CB 3.63Å; L412-P487 HydrophobicContact CD2-CB 3.83Å; L412-P487 HydrophobicContact CG-CB 4.35Å; F432-P487 HydrophobicContact CB-CB 4.42Å; P487-F498 HydrophobicContact CB-CE2 4.21Å; P487-F498 HydrophobicContact CG-CD2 4.43Å; P487-F498 HydrophobicContact CG-CE2 3.6Å; P487-F498 HydrophobicContact CG-CZ 3.76Å; P487-V500 HydrophobicContact CB-CG2 4.26Å; P487-V500 HydrophobicContact CG-CG2 4.22Å
488S97.2Very high93.8Very high1 Ų132 Ų321%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-153.6157.2-178.259.70000111.8G373 G431 F466G373-S488 VanDerWaalsContact O-CB 3.32Å; G373-S488 WeakPolarHBondContact O-CB 3.4Å; G431-S488 PolarHBondContact N-O 3.42Å; G431-S488 PolarHBondContact O-N 3.29Å; G431-S488 PolarHBondContact O-OG 2.79Å; F466-S488 WeakPolarHBondContact CE1-O 3.29Å; F466-S488 WeakPolarHBondContact CZ-OG 3.38Å
489T96.9Very high93.8Very high1 Ų131.4 Ų31.41%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-74.7161.4156.551.90000110.2W365 G373 C374 E428 T429 I430 E491 K494W365-T489 HydrophobicContact CD2-CG2 4.17Å; W365-T489 HydrophobicContact CE3-CG2 3.84Å; W365-T489 HydrophobicContact CZ3-CG2 4.03Å; G373-T489 CarbonylContact C-O 3.57Å; G373-T489 VanDerWaalsContact CA-O 3.29Å; G373-T489 WeakPolarHBondContact CA-O 3.39Å; C374-T489 PolarHBondContact N-O 2.92Å; E428-T489 HydrophobicContact CB-CG2 4.11Å; T429-T489 CarbonylContact O-C 3.54Å; T429-T489 WeakPolarHBondContact O-CA 3.33Å; I430-T489 HydrophobicContact CG2-CG2 4.09Å; T489-E491 PolarHBondContact OG1-O 2.84Å; T489-K494 HydrophobicContact CG2-CB 3.83Å; T489-K494 HydrophobicContact CG2-CG 4.44Å
490F96.3Very high93.8Very high72 Ų7229.3 Ų29.332%0.31616%0.161SC..SBendtrans-63.2-55.7177.6-174.9-97.1000110.9C374 Y377 T429 F466C374-F490 HydrophobicContact CB-CD2 4.49Å; C374-F490 PolarHBondContact N-O 3.44Å; C374-F490 PolarHBondContact SG-O 3.41Å; Y377-F490 VanDerWaalsContact CE2-O 3.27Å; Y377-F490 WeakPolarHBondContact CE2-O 3.3Å; T429-F490 HydrophobicContact CG2-CB 4.05Å; T429-F490 PolarHBondContact O-N 3.06Å; F466-F490 HydrophobicContact CB-CB 4.36Å; F466-F490 HydrophobicContact CB-CD2 3.79Å; F466-F490 HydrophobicContact CB-CG 4.49Å; F466-F490 HydrophobicContact CD1-CB 3.69Å; F466-F490 AromaticContact CD1-CD2 3.95Å; F466-F490 HydrophobicContact CD1-CD2 3.95Å; F466-F490 HydrophobicContact CD1-CG 4.34Å; F466-F490 HydrophobicContact CD2-CD2 4.32Å; F466-F490 HydrophobicContact CE1-CB 4.36Å; F466-F490 HydrophobicContact CG-CB 4.28Å; F466-F490 AromaticContact CG-CD2 3.76Å; F466-F490 HydrophobicContact CG-CD2 3.76Å
491E96.4Very high93.7Very high91 Ų9126.3 Ų26.343%0.42514%0.142SC..SBendtrans-87148175.4-60.1-173.615400110.7T489 K494T489-E491 PolarHBondContact OG1-O 2.84Å; E491-K494 HydrophobicContact CB-CG 4.42Å; E491-K494 WeakPolarHBondContact OE2-CE 3.4Å; E491-K494 IonicContact OE2-NZ 3.39Å; E491-K494 PolarHBondContact OE2-NZ 3.32Å
492P94.4Very high93.8Very high29 Ų2925.1 Ų25.119%0.18813%0.129CC..THydrogen-bonded Turntrans-67.6169.1170.230.3-35.2000111.4A371 Y377 K494A371-P492 WeakPolarHBondContact O-CA 3.29Å; Y377-P492 HydrophobicContact CD1-CG 3.99Å; Y377-P492 HydrophobicContact CE1-CG 4.2Å; Y377-P492 HydrophobicContact CG-CG 4.21Å; P492-K494 PolarHBondContact O-N 3.03Å
493N91.3Very high93.7Very high86 Ų8624 Ų2446%0.4612%0.124SC..THydrogen-bonded Turntrans64.117.2173.4-62.7-43.6000115.7S367 G368 A371S367-N493 WeakPolarHBondContact OG-CA 3.45Å; S367-N493 WeakPolarHBondContact OG-CB 3.37Å; S367-N493 PolarHBondContact OG-OD1 3.14Å; S367-N493 VanDerWaalsContact OG-OD1 3.07Å; G368-N493 PolarHBondContact N-OD1 2.86Å; A371-N493 PolarHBondContact O-N 3.39Å
494K92Very high93.6Very high65 Ų6524.1 Ų24.128%0.28313%0.125SC..  trans-85.4121.6169.1-57.7-60.7-179.51720109.6W365 A371 E428 T489 E491 P492W365-K494 WeakPolarHBondContact CB-O 3.5Å; A371-K494 WeakPolarHBondContact CB-O 3.48Å; E428-K494 WeakPolarHBondContact OE2-CD 3.49Å; T489-K494 HydrophobicContact CG2-CB 3.83Å; T489-K494 HydrophobicContact CG2-CG 4.44Å; E491-K494 HydrophobicContact CB-CG 4.42Å; E491-K494 WeakPolarHBondContact OE2-CE 3.4Å; E491-K494 IonicContact OE2-NZ 3.39Å; E491-K494 PolarHBondContact OE2-NZ 3.32Å; P492-K494 PolarHBondContact O-N 3.03Å
495N89.3Confident93.3Very high88 Ų8824.8 Ų24.847%0.47113%0.128SC..  trans-81134.6174.2-66.9-47.9000109.7W365 R366 S367W365-N495 WeakPolarHBondContact O-CA 3.38Å; R366-N495 WeakPolarHBondContact CA-OD1 3.17Å; S367-N495 PolarHBondContact N-OD1 2.98Å
496G89.1Confident92.9Very high13 Ų1326.8 Ų26.813%0.13414%0.137CC..EExtended strand (participates in β ladder)trans-169.4151.5175.200000111.3T364 W365T364-G496 CarbonylContact C-O 3.51Å; T364-G496 WeakPolarHBondContact CA-O 3.38Å; W365-G496 PolarHBondContact N-O 2.86Å; W365-G496 PolarHBondContact O-N 3.32Å
497D90.8Very high92.4Very high46 Ų4632.9 Ų32.925%0.24617%0.165CC..EExtended strand (participates in β ladder)trans-98.8139.9167.2-54.4-24.4000106.7T364 R366 K415T364-D497 WeakPolarHBondContact CB-OD1 3.33Å; T364-D497 HydrophobicContact CG2-CB 4.07Å; T364-D497 WeakPolarHBondContact CG2-OD1 3.13Å; R366-D497 IonicContact CZ-OD1 3.37Å; R366-D497 IonicContact NH1-OD1 3.44Å; R366-D497 PolarHBondContact NH1-OD1 2.8Å; R366-D497 IonicContact NH2-OD1 2.85Å; R366-D497 PolarHBondContact NH2-OD1 2.77Å; R366-D497 IonicContact NH2-OD2 3.57Å; K415-D497 HydrophobicContact CB-CB 4.18Å; K415-D497 HydrophobicContact CD-CB 4.34Å; K415-D497 HydrophobicContact CG-CB 4.34Å; K415-D497 PolarHBondContact N-O 2.93Å
498F92.6Very high91.9Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-137.8163.5-176.570.4-93.5000111.6F361 E363 W365 P385 L412 M413 P487 V500F361-F498 HydrophobicContact CD1-CE2 4.44Å; E363-F498 HydrophobicContact CB-CE1 3.78Å; E363-F498 HydrophobicContact CB-CE2 3.93Å; E363-F498 HydrophobicContact CB-CZ 3.38Å; E363-F498 PolarHBondContact N-O 3.39Å; E363-F498 VanDerWaalsContact N-O 3.14Å; E363-F498 WeakPolarHBondContact O-CD1 3.33Å; E363-F498 PolarHBondContact O-N 2.91Å; E363-F498 VanDerWaalsContact O-O 3.12Å; W365-F498 AromaticContact CD1-CE1 3.89Å; W365-F498 AromaticContact CD2-CD1 3.44Å; W365-F498 HydrophobicContact CD2-CD1 3.44Å; W365-F498 VanDerWaalsContact CD2-CD1 3.44Å; W365-F498 AromaticContact CD2-CE1 3.82Å; W365-F498 HydrophobicContact CD2-CE1 3.82Å; W365-F498 HydrophobicContact CD2-CG 4.34Å; W365-F498 AromaticContact CE2-CD1 3.4Å; W365-F498 VanDerWaalsContact CE2-CD1 3.4Å; W365-F498 AromaticContact CE2-CE1 3.55Å; W365-F498 HydrophobicContact CE3-CB 4.19Å; W365-F498 AromaticContact CE3-CD1 3.65Å; W365-F498 HydrophobicContact CE3-CD1 3.65Å; W365-F498 HydrophobicContact CE3-CE1 4.47Å; W365-F498 HydrophobicContact CE3-CG 4.27Å; W365-F498 HydrophobicContact CG-CD1 4.06Å; W365-F498 HydrophobicContact CG-CE1 4.05Å; W365-F498 HydrophobicContact CH2-CB 3.6Å; W365-F498 AromaticContact CH2-CD1 3.83Å; W365-F498 HydrophobicContact CH2-CD1 3.83Å; W365-F498 AromaticContact CH2-CG 3.74Å; W365-F498 HydrophobicContact CH2-CG 3.74Å; W365-F498 HydrophobicContact CZ2-CB 4.2Å; W365-F498 AromaticContact CZ2-CD1 3.62Å; W365-F498 HydrophobicContact CZ2-CD1 3.62Å; W365-F498 HydrophobicContact CZ2-CD2 4.36Å; W365-F498 HydrophobicContact CZ2-CE1 4.02Å; W365-F498 AromaticContact CZ2-CG 3.8Å; W365-F498 HydrophobicContact CZ2-CG 3.8Å; W365-F498 HydrophobicContact CZ3-CB 3.6Å; W365-F498 AromaticContact CZ3-CD1 3.84Å; W365-F498 HydrophobicContact CZ3-CD1 3.84Å; W365-F498 AromaticContact CZ3-CG 3.99Å; W365-F498 HydrophobicContact CZ3-CG 3.99Å; W365-F498 AromaticContact NE1-CD1 3.94Å; W365-F498 AromaticContact NE1-CE1 3.58Å; P385-F498 HydrophobicContact CB-CZ 4.02Å; P385-F498 HydrophobicContact CG-CE1 4.02Å; P385-F498 HydrophobicContact CG-CZ 3.79Å; L412-F498 HydrophobicContact CD1-CB 4.14Å; L412-F498 HydrophobicContact CD1-CD2 3.68Å; L412-F498 HydrophobicContact CD1-CE2 4.44Å; L412-F498 HydrophobicContact CD1-CG 4.14Å; M413-F498 CarbonylContact O-C 3.54Å; M413-F498 WeakPolarHBondContact O-CA 3.19Å; M413-F498 WeakPolarHBondContact O-CB 3.16Å; P487-F498 HydrophobicContact CB-CE2 4.21Å; P487-F498 HydrophobicContact CG-CD2 4.43Å; P487-F498 HydrophobicContact CG-CE2 3.6Å; P487-F498 HydrophobicContact CG-CZ 3.76Å; F498-V500 HydrophobicContact CD2-CG2 3.79Å; F498-V500 HydrophobicContact CE2-CG2 3.74Å
499Y91.7Very high91.3Very high1 Ų136.6 Ų36.60%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-133.7125-179.1-173.3-106.6000108W144 G147 E360 F361 E362 M413 R501W144-Y499 HydrophobicContact CH2-CD1 4.13Å; W144-Y499 AromaticContact CH2-CE1 3.96Å; W144-Y499 HydrophobicContact CH2-CE1 3.96Å; W144-Y499 HydrophobicContact CZ2-CD1 4.27Å; W144-Y499 AromaticContact CZ2-CE1 3.65Å; W144-Y499 HydrophobicContact CZ2-CE1 3.65Å; G147-Y499 WeakPolarHBondContact CA-OH 3.48Å; E360-Y499 HydrophobicContact CB-CE1 4.41Å; E360-Y499 HydrophobicContact CB-CE2 3.9Å; E360-Y499 WeakPolarHBondContact CB-OH 3.5Å; E360-Y499 PolarHBondContact OE2-OH 3.24Å; F361-Y499 CarbonylContact O-C 3.49Å; F361-Y499 WeakPolarHBondContact O-CA 3.46Å; F361-Y499 WeakPolarHBondContact O-CD2 3.25Å; E362-Y499 HydrophobicContact CB-CD2 4.24Å; M413-Y499 PolarHBondContact N-O 3.42Å; M413-Y499 PolarHBondContact O-N 2.97Å; Y499-R501 HydrophobicContact CE1-CB 4.11Å; Y499-R501 HydrophobicContact CE1-CG 4.3Å
500V92.4Very high90.6Very high3 Ų338.9 Ų38.92%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-109.3136.1172.7-173.70000108.1E360 F361 F387 V410 G411 L412 P487 F498 V502E360-V500 CarbonylContact C-O 3.49Å; E360-V500 WeakPolarHBondContact CA-O 3.49Å; F361-V500 HydrophobicContact CB-CB 4.44Å; F361-V500 PolarHBondContact N-O 3.35Å; F361-V500 PolarHBondContact O-N 3.41Å; F387-V500 HydrophobicContact CE1-CB 4.29Å; F387-V500 HydrophobicContact CE1-CG1 4.31Å; F387-V500 HydrophobicContact CE1-CG2 3.87Å; F387-V500 HydrophobicContact CE2-CB 4.43Å; F387-V500 HydrophobicContact CE2-CG1 3.72Å; F387-V500 HydrophobicContact CZ-CB 3.84Å; F387-V500 HydrophobicContact CZ-CG1 3.39Å; F387-V500 HydrophobicContact CZ-CG2 3.71Å; V410-V500 HydrophobicContact CG1-CG1 4.2Å; G411-V500 CarbonylContact O-C 3.53Å; G411-V500 VanDerWaalsContact O-CA 3.25Å; G411-V500 WeakPolarHBondContact O-CA 3.24Å; G411-V500 WeakPolarHBondContact O-CG1 3.28Å; L412-V500 HydrophobicContact CD1-CG2 3.71Å; P487-V500 HydrophobicContact CB-CG2 4.26Å; P487-V500 HydrophobicContact CG-CG2 4.22Å; F498-V500 HydrophobicContact CD2-CG2 3.79Å; F498-V500 HydrophobicContact CE2-CG2 3.74Å; V500-V502 HydrophobicContact CG1-CG2 4.32Å
501R92Very high89.9Confident0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-131.2141.8170.349.2179.5174.21787.4110.5E205 G209 G210 I211 T359 G411 E471 Y499 F503E205-R501 VanDerWaalsContact CG-NH2 3.26Å; E205-R501 IonicContact OE1-NH2 2.82Å; E205-R501 PolarHBondContact OE1-NH2 3.47Å; G209-R501 PolarHBondContact O-NH1 3.24Å; G210-R501 PolarHBondContact O-NH1 3.33Å; G210-R501 PolarHBondContact O-NH2 3.03Å; I211-R501 HydrophobicContact CD1-CG 4.12Å; T359-R501 CarbonylContact O-C 3.58Å; T359-R501 VanDerWaalsContact O-CA 3.28Å; T359-R501 WeakPolarHBondContact O-CA 3.5Å; G411-R501 PolarHBondContact N-O 3.36Å; G411-R501 PolarHBondContact O-N 2.91Å; E471-R501 IonicContact OE1-CZ 2.69Å; E471-R501 IonicContact OE1-NE 3.86Å; E471-R501 PolarHBondContact OE1-NE 2.83Å; E471-R501 IonicContact OE1-NH2 3.98Å; E471-R501 PolarHBondContact OE1-NH2 3.48Å; E471-R501 IonicContact OE2-CZ 3.78Å; E471-R501 IonicContact OE2-NE 2.72Å; E471-R501 PolarHBondContact OE2-NE 2.8Å; E471-R501 IonicContact OE2-NH2 2.72Å; E471-R501 PolarHBondContact OE2-NH2 3.01Å; Y499-R501 HydrophobicContact CE1-CB 4.11Å; Y499-R501 HydrophobicContact CE1-CG 4.3Å; R501-F503 HydrophobicContact CB-CE2 4.28Å
502V92.9Very high89.1Confident2 Ų237.1 Ų37.11%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-126.6121.5-179.4-170.30000109E358 T359 I389 V408 I409 V410 I485 V500E358-V502 WeakPolarHBondContact CA-O 3.27Å; T359-V502 PolarHBondContact N-O 2.79Å; T359-V502 PolarHBondContact O-N 2.91Å; I389-V502 HydrophobicContact CD1-CB 4.21Å; I389-V502 HydrophobicContact CD1-CG1 3.37Å; V408-V502 HydrophobicContact CG1-CG1 3.27Å; I409-V502 CarbonylContact O-C 3.49Å; I409-V502 WeakPolarHBondContact O-CA 3.26Å; V410-V502 HydrophobicContact CG1-CG2 4.44Å; V410-V502 HydrophobicContact CG2-CG1 4.18Å; V410-V502 HydrophobicContact CG2-CG2 4.32Å; I485-V502 HydrophobicContact CD1-CG2 4.21Å; V500-V502 HydrophobicContact CG1-CG2 4.32Å
503F93Very high88.6Confident0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-107.8122.3177.5-79-125.5000108.3I211 N342 T344 W356 A357 E358 V408 I409 R501I211-F503 HydrophobicContact CB-CD2 3.93Å; I211-F503 HydrophobicContact CB-CE1 4.48Å; I211-F503 HydrophobicContact CB-CE2 3.79Å; I211-F503 HydrophobicContact CB-CG 4.38Å; I211-F503 HydrophobicContact CB-CZ 4.09Å; I211-F503 HydrophobicContact CD1-CD2 4.23Å; I211-F503 HydrophobicContact CG2-CB 4.12Å; I211-F503 HydrophobicContact CG2-CD1 3.55Å; I211-F503 HydrophobicContact CG2-CD2 3.49Å; I211-F503 VanDerWaalsContact CG2-CD2 3.49Å; I211-F503 HydrophobicContact CG2-CE1 3.75Å; I211-F503 HydrophobicContact CG2-CE2 3.71Å; I211-F503 HydrophobicContact CG2-CG 3.44Å; I211-F503 VanDerWaalsContact CG2-CG 3.44Å; I211-F503 HydrophobicContact CG2-CZ 3.83Å; N342-F503 HydrophobicContact CB-CD1 4.34Å; T344-F503 HydrophobicContact CG2-CZ 4.3Å; W356-F503 HydrophobicContact CB-CD1 3.62Å; W356-F503 HydrophobicContact CB-CE1 4.27Å; W356-F503 HydrophobicContact CB-CG 4.44Å; W356-F503 HydrophobicContact CD2-CB 4.29Å; W356-F503 HydrophobicContact CD2-CD1 4.18Å; W356-F503 HydrophobicContact CE3-CB 3.97Å; W356-F503 AromaticContact CG-CD1 3.69Å; W356-F503 HydrophobicContact CG-CD1 3.69Å; W356-F503 HydrophobicContact CG-CE1 4.47Å; A357-F503 CarbonylContact O-C 3.32Å; A357-F503 VanDerWaalsContact O-CA 3.31Å; A357-F503 WeakPolarHBondContact O-CA 3.13Å; E358-F503 HydrophobicContact CB-CE2 4.39Å; E358-F503 HydrophobicContact CB-CZ 4.45Å; E358-F503 HydrophobicContact CG-CD2 4.27Å; E358-F503 HydrophobicContact CG-CE2 3.73Å; E358-F503 HydrophobicContact CG-CZ 4.04Å; E358-F503 VanDerWaalsContact OE1-CE2 3.31Å; E358-F503 WeakPolarHBondContact OE1-CE2 3.15Å; E358-F503 WeakPolarHBondContact OE1-CZ 3.42Å; V408-F503 CarbonylContact C-O 3.48Å; V408-F503 WeakPolarHBondContact CA-O 3.31Å; I409-F503 HydrophobicContact CB-CB 4.21Å; I409-F503 HydrophobicContact CD1-CB 4.36Å; I409-F503 PolarHBondContact N-O 3Å; I409-F503 PolarHBondContact O-N 2.65Å; R501-F503 HydrophobicContact CB-CE2 4.28Å
504S92.2Very high88.3Confident6 Ų633 Ų334%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-120.7143.617655.60000111.4W356 A357 T407 K506 A508W356-S504 VanDerWaalsContact CE3-C 3.44Å; A357-S504 PolarHBondContact N-O 3.46Å; A357-S504 PolarHBondContact O-N 2.85Å; T407-S504 WeakPolarHBondContact O-CA 3.34Å; S504-K506 CarbonylContact C-O 3.1Å; S504-K506 VanDerWaalsContact CB-O 3.26Å; S504-K506 WeakPolarHBondContact CB-O 3.37Å; S504-K506 PolarHBondContact O-N 2.7Å; S504-K506 PolarHBondContact OG-O 2.94Å; S504-A508 WeakPolarHBondContact OG-CB 3.5Å
505E88.4Confident88Confident15 Ų1530.8 Ų30.87%0.0716%0.16CC..SBendtrans-65.2-32.3-178.5162.4149.7-165.300111.3K230 R234 W356 D395 T407K230-E505 IonicContact NZ-OE1 2.62Å; K230-E505 PolarHBondContact NZ-OE1 2.85Å; K230-E505 VanDerWaalsContact NZ-OE1 3.1Å; K230-E505 IonicContact NZ-OE2 2.82Å; K230-E505 PolarHBondContact NZ-OE2 3.44Å; R234-E505 VanDerWaalsContact NH2-CG 3.26Å; R234-E505 IonicContact NH2-OE1 3.35Å; R234-E505 PolarHBondContact NH2-OE1 3.07Å; W356-E505 HydrophobicContact CZ3-CB 4.06Å; D395-E505 HydrophobicContact CB-CG 4.28Å; T407-E505 PolarHBondContact O-N 3.11Å
506K88.6Confident88Confident43 Ų4327.5 Ų27.519%0.18714%0.143CC..SBendtrans-111.5164.9171.2-61.4-60.9-167.2170.30111.4A357 E393 V394 D396 S504 A508A357-K506 WeakPolarHBondContact CB-O 3.29Å; E393-K506 HydrophobicContact CB-CB 3.83Å; E393-K506 HydrophobicContact CB-CD 4.45Å; E393-K506 HydrophobicContact CB-CG 3.84Å; V394-K506 WeakPolarHBondContact O-CE 3.4Å; D396-K506 VanDerWaalsContact OD1-CE 3.29Å; D396-K506 WeakPolarHBondContact OD1-CE 3.31Å; D396-K506 IonicContact OD1-NZ 3.04Å; D396-K506 PolarHBondContact OD1-NZ 2.82Å; D396-K506 WeakPolarHBondContact OD2-CE 3.43Å; D396-K506 IonicContact OD2-NZ 2.84Å; D396-K506 PolarHBondContact OD2-NZ 2.76Å; S504-K506 CarbonylContact C-O 3.1Å; S504-K506 VanDerWaalsContact CB-O 3.26Å; S504-K506 WeakPolarHBondContact CB-O 3.37Å; S504-K506 PolarHBondContact O-N 2.7Å; S504-K506 PolarHBondContact OG-O 2.94Å; K506-A508 PolarHBondContact O-N 3.26Å
507Q86.9Confident88.1Confident127 Ų12730.2 Ų30.259%0.59316%0.157SC*.  trans-58.7128.7174.6-169.165.738.800110.3
508A85.4Confident88.1Confident5 Ų532.1 Ų32.14%0.04117%0.165CC..EExtended strand (participates in β ladder)trans-115.9144.7172.800000109.4I389 K390 L391 S504 K506I389-A508 HydrophobicContact CD1-CB 3.89Å; I389-A508 HydrophobicContact CG1-CB 3.92Å; K390-A508 WeakPolarHBondContact O-CA 3.36Å; K390-A508 WeakPolarHBondContact O-CB 3.28Å; L391-A508 HydrophobicContact CD2-CB 3.91Å; S504-A508 WeakPolarHBondContact OG-CB 3.5Å; K506-A508 PolarHBondContact O-N 3.26Å
509D83.8Confident88.1Confident75 Ų7533.4 Ų33.440%0.40117%0.174SC..EExtended strand (participates in β ladder)trans-86.5145.7168.8-49.6-55.6000108.9K390 N392K390-D509 HydrophobicContact CB-CB 3.98Å; K390-D509 HydrophobicContact CD-CB 4.4Å; K390-D509 PolarHBondContact N-O 3.37Å; K390-D509 PolarHBondContact O-N 3.11Å; N392-D509 PolarHBondContact ND2-OD2 3.25Å
510F82.9Confident88.1Confident49 Ų4939.2 Ų39.222%0.21520%0.201CC..EExtended strand (participates in β ladder)trans-133.1140-177.6175.8-91.8000111T359 F361 F387 V388 V512T359-F510 HydrophobicContact CG2-CB 3.48Å; T359-F510 VanDerWaalsContact CG2-CB 3.48Å; T359-F510 HydrophobicContact CG2-CD1 3.33Å; T359-F510 HydrophobicContact CG2-CD2 3.69Å; T359-F510 HydrophobicContact CG2-CE1 3.9Å; T359-F510 HydrophobicContact CG2-CE2 4.21Å; T359-F510 HydrophobicContact CG2-CG 3.2Å; T359-F510 HydrophobicContact CG2-CZ 4.32Å; F361-F510 HydrophobicContact CB-CZ 3.99Å; F361-F510 HydrophobicContact CG-CZ 4.37Å; F387-F510 HydrophobicContact CB-CE2 3.9Å; F387-F510 HydrophobicContact CB-CZ 3.78Å; F387-F510 AromaticContact CD2-CE2 3.54Å; F387-F510 HydrophobicContact CD2-CE2 3.54Å; F387-F510 HydrophobicContact CD2-CZ 4.1Å; F387-F510 HydrophobicContact CE2-CE2 4.39Å; F387-F510 AromaticContact CG-CE2 3.98Å; F387-F510 HydrophobicContact CG-CE2 3.98Å; F387-F510 HydrophobicContact CG-CZ 4.09Å; V388-F510 WeakPolarHBondContact O-CA 3.5Å; F510-V512 HydrophobicContact CE1-CG2 3.76Å; F510-V512 HydrophobicContact CZ-CG2 4.18Å
511Q81.1Confident88Confident65 Ų6540.2 Ų40.230%0.30421%0.206SC..EExtended strand (participates in β ladder)trans-144.6126.7-179.5-62.2-1794.500110.3V388 T445V388-Q511 PolarHBondContact N-O 2.77Å; V388-Q511 PolarHBondContact O-N 3.27Å; T445-Q511 HydrophobicContact CG2-CB 4.26Å; T445-Q511 HydrophobicContact CG2-CG 4.31Å
512V81.2Confident87.7Confident61 Ų6146.7 Ų46.737%0.3724%0.237SC..EExtended strand (participates in β ladder)trans-74.4134.4164.7-175.50000107.4F361 F510F361-V512 HydrophobicContact CD2-CG2 3.56Å; F361-V512 HydrophobicContact CE2-CB 4.21Å; F361-V512 HydrophobicContact CE2-CG1 3.76Å; F361-V512 HydrophobicContact CE2-CG2 3.33Å; F361-V512 HydrophobicContact CZ-CG1 3.84Å; F361-V512 HydrophobicContact CZ-CG2 4.14Å; F510-V512 HydrophobicContact CE1-CG2 3.76Å; F510-V512 HydrophobicContact CZ-CG2 4.18Å
513I83.4Confident87.3Confident6 Ų654.6 Ų54.63%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-116.3125.7175.271.8169000109.4Q386 V388 K444 T445 V447 L449 L484Q386-I513 HydrophobicContact CB-CD1 4.32Å; Q386-I513 HydrophobicContact CB-CG1 3.8Å; Q386-I513 PolarHBondContact O-N 3.48Å; Q386-I513 VanDerWaalsContact O-O 3.12Å; V388-I513 HydrophobicContact CB-CG2 4.29Å; V388-I513 HydrophobicContact CG2-CD1 3.87Å; V388-I513 HydrophobicContact CG2-CG1 4.22Å; V388-I513 HydrophobicContact CG2-CG2 3.58Å; K444-I513 WeakPolarHBondContact O-CG2 3.48Å; T445-I513 WeakPolarHBondContact O-CA 3.37Å; V447-I513 WeakPolarHBondContact O-CB 3.27Å; V447-I513 WeakPolarHBondContact O-CG1 3.4Å; L449-I513 HydrophobicContact CD1-CD1 4.44Å; L449-I513 HydrophobicContact CG-CD1 4.32Å; L484-I513 HydrophobicContact CD1-CD1 3.59Å; L484-I513 HydrophobicContact CD1-CG1 4.15Å
514D84.3Confident87Confident23 Ų2356.1 Ų56.112%0.12328%0.279CS..  trans-151.1170.2174.7-151.9-22.7000108.1T445 Q446 V447 H448 R629 N640 N641T445-D514 PolarHBondContact O-N 3.42Å; Q446-D514 CarbonylContact C-O 3.55Å; Q446-D514 VanDerWaalsContact CA-O 3.24Å; Q446-D514 WeakPolarHBondContact CA-O 3.44Å; V447-D514 PolarHBondContact N-O 2.92Å; H448-D514 IonicContact ND1-OD1 2.76Å; D514-R629 IonicContact OD1-NH2 2.74Å; D514-N640 HydrophobicContact CB-CB 4.22Å; D514-N640 WeakPolarHBondContact OD2-CB 3.46Å; D514-N641 VanDerWaalsContact CG-ND2 3.27Å; D514-N641 PolarHBondContact OD1-N 3.31Å; D514-N641 PolarHBondContact OD1-ND2 2.67Å; D514-N641 WeakPolarHBondContact OD2-CB 3.48Å; D514-N641 PolarHBondContact OD2-N 3.18Å; D514-N641 PolarHBondContact OD2-ND2 2.86Å
515D86.2Confident86.6Confident18 Ų1862.4 Ų62.410%0.09631%0.312CS..  trans-68.8141.7174.9-65.5-43000110.3H448 K450H448-D515 VanDerWaalsContact CB-CG 3.48Å; H448-D515 WeakPolarHBondContact CB-OD1 3.25Å; H448-D515 WeakPolarHBondContact CB-OD2 2.97Å; H448-D515 PolarHBondContact N-OD1 3.4Å; K450-D515 IonicContact NZ-OD1 2.81Å; K450-D515 IonicContact NZ-OD2 3.59Å; K450-D515 PolarHBondContact NZ-OD2 3.11Å
516P88.8Confident86.5Confident19 Ų1962.6 Ų62.612%0.12331%0.313CS..  trans-63.9160.2177.228-32.9000111Q446 E518 S638 L639Q446-P516 HydrophobicContact CB-CB 4.04Å; Q446-P516 HydrophobicContact CB-CG 4.08Å; Q446-P516 HydrophobicContact CG-CB 4.18Å; Q446-P516 VanDerWaalsContact OE1-CB 3.24Å; P516-E518 HydrophobicContact CB-CG 4.1Å; P516-E518 HydrophobicContact CG-CG 4.44Å; P516-S638 WeakPolarHBondContact CD-OG 3.42Å; P516-S638 CarbonylContact O-C 3.31Å; P516-S638 VanDerWaalsContact O-CB 3.25Å; P516-S638 WeakPolarHBondContact O-CB 3.33Å; P516-S638 PolarHBondContact O-OG 2.72Å; P516-S638 VanDerWaalsContact O-OG 3.13Å; P516-L639 PolarHBondContact O-N 3.4Å
517V91.3Very high86.4Confident71 Ų7165.5 Ų65.543%0.4333%0.331SS..  trans-96.295.1174.4-176.40000108.8S638 L639 N640 L643 F674V517-S638 CarbonylContact C-O 3.52Å; V517-S638 WeakPolarHBondContact CA-O 3.45Å; V517-L639 HydrophobicContact CG1-CD2 4.43Å; V517-N640 HydrophobicContact CG2-CB 4.36Å; V517-L643 HydrophobicContact CB-CD1 4.35Å; V517-L643 HydrophobicContact CG1-CD1 3.62Å; V517-L643 HydrophobicContact CG2-CD1 3.72Å; V517-F674 HydrophobicContact CG1-CE1 4.14Å; V517-F674 HydrophobicContact CG1-CZ 3.75Å
518E91.5Very high86.4Confident86 Ų8664.7 Ų64.740%0.40233%0.327SS..EExtended strand (participates in β ladder)trans-140152.9-173.7-67.8177.2-174.300111.8P516 H520 S638P516-E518 HydrophobicContact CB-CG 4.1Å; P516-E518 HydrophobicContact CG-CG 4.44Å; E518-H520 IonicContact OE2-CD2 3.46Å; E518-H520 IonicContact OE2-CE1 3.88Å; E518-H520 PolarHBondContact OE2-CE1 3.28Å; E518-H520 IonicContact OE2-NE2 3Å; E518-H520 PolarHBondContact OE2-NE2 3.1Å; E518-S638 PolarHBondContact N-O 3.43Å; E518-S638 PolarHBondContact O-N 3.4Å
519S92.6Very high86.4Confident26 Ų2671.9 Ų71.918%0.18237%0.365CS..EExtended strand (participates in β ladder)trans-121.6121.7171.7-1690000110.6V521 F637S519-V521 WeakPolarHBondContact OG-CG2 3.22Å; S519-F637 WeakPolarHBondContact OG-CE1 3.48Å
520H91.8Very high86.6Confident124 Ų12474.8 Ų74.857%0.57438%0.376SS*.  trans-118.425.2174.7-58.4-69.1000110.6E518 E522 G636E518-H520 IonicContact OE2-CD2 3.46Å; E518-H520 IonicContact OE2-CE1 3.88Å; E518-H520 PolarHBondContact OE2-CE1 3.28Å; E518-H520 IonicContact OE2-NE2 3Å; E518-H520 PolarHBondContact OE2-NE2 3.1Å; H520-E522 PolarHBondContact O-N 2.81Å; H520-G636 CarbonylContact C-O 3.6Å; H520-G636 WeakPolarHBondContact CA-O 3.41Å; H520-G636 PolarHBondContact N-O 3.12Å
521V89.5Confident86.8Confident23 Ų2372.6 Ų72.614%0.13937%0.367CS..PPolyproline II helixtrans-60.6125.9-179.7178.20000109.2S519 K523 F637S519-V521 WeakPolarHBondContact OG-CG2 3.22Å; V521-K523 PolarHBondContact O-N 2.86Å; V521-K523 VanDerWaalsContact O-N 3.13Å; V521-F637 HydrophobicContact CG2-CD1 4.01Å; V521-F637 HydrophobicContact CG2-CD2 4.06Å; V521-F637 HydrophobicContact CG2-CE1 3.54Å; V521-F637 HydrophobicContact CG2-CE2 3.58Å; V521-F637 HydrophobicContact CG2-CG 4.27Å; V521-F637 HydrophobicContact CG2-CZ 3.32Å
522E86.1Confident87.2Confident137 Ų13772.9 Ų72.964%0.6438%0.376SS*.PPolyproline II helixtrans-60118.1177-67.1-176.8162.900110.8H520 I524 K607H520-E522 PolarHBondContact O-N 2.81Å; E522-I524 PolarHBondContact O-N 2.81Å; E522-K607 IonicContact OE2-NZ 3.97Å; E522-K607 PolarHBondContact OE2-NZ 2.76Å
523K85.1Confident87.6Confident168 Ų16876 Ų7673%0.7339%0.391SS*.PPolyproline II helixtrans-68.4124.7171.8-66.7-172.9-179.6179.90109V521V521-K523 PolarHBondContact O-N 2.86Å; V521-K523 VanDerWaalsContact O-N 3.13Å
524I86.6Confident87.9Confident32 Ų3285 Ų8516%0.16442%0.424CS..  trans-95.3106.8176.6-58.4-175.8000106.9E522 I526 I600 T603 K604 K607E522-I524 PolarHBondContact O-N 2.81Å; I524-I526 HydrophobicContact CG2-CD1 3.65Å; I524-I526 HydrophobicContact CG2-CG1 3.76Å; I524-I600 HydrophobicContact CB-CG2 4.17Å; I524-I600 HydrophobicContact CG2-CG1 4.35Å; I524-I600 HydrophobicContact CG2-CG2 4.26Å; I524-T603 HydrophobicContact CD1-CG2 4.01Å; I524-K604 HydrophobicContact CD1-CG 3.62Å; I524-K607 HydrophobicContact CD1-CD 4.28Å
525D83.3Confident88.1Confident137 Ų13785.5 Ų85.573%0.73343%0.425SS*.  trans-103.9125.5173.4-157.29.2000108.2
526I87.3Confident88.2Confident20 Ų2087.3 Ų87.310%0.10343%0.432CS..  trans-136.5117.7-176.7-62.1176.8000107.3I524 E530 I531 V596 K599 I600I524-I526 HydrophobicContact CG2-CD1 3.65Å; I524-I526 HydrophobicContact CG2-CG1 3.76Å; I526-E530 HydrophobicContact CG2-CB 4.45Å; I526-I531 HydrophobicContact CG2-CD1 4.27Å; I526-I531 HydrophobicContact CG2-CG1 3.81Å; I526-V596 WeakPolarHBondContact O-CG1 3.46Å; I526-K599 HydrophobicContact CD1-CG 3.83Å; I526-K599 HydrophobicContact CG2-CG 4.2Å; I526-I600 HydrophobicContact CB-CG1 4.19Å; I526-I600 HydrophobicContact CD1-CG1 3.96Å; I526-I600 HydrophobicContact CG1-CG1 4.16Å
527D85.9Confident88.2Confident103 Ų10390.3 Ų90.355%0.55145%0.45SS*.  trans-80.1150.7171.2-79.3-39.4000110.8D529 E530D527-D529 PolarHBondContact O-N 2.89Å; D527-D529 VanDerWaalsContact O-N 3.12Å; D527-E530 HydrophobicContact CB-CG 4.21Å; D527-E530 WeakPolarHBondContact O-CB 3.29Å; D527-E530 PolarHBondContact O-N 3.26Å
528E85.8Confident87.9Confident110 Ų11091 Ų9151%0.51445%0.449SS..G310 helixtrans-59.1-28.9-179.4-164-174159.400112.7E530 I531 K536 L595 V596E528-E530 VanDerWaalsContact C-N 3.3Å; E528-E530 PolarHBondContact O-N 2.96Å; E528-I531 WeakPolarHBondContact O-CB 3.46Å; E528-I531 PolarHBondContact O-N 3.11Å; E528-K536 WeakPolarHBondContact O-CE 3.28Å; E528-K536 PolarHBondContact O-NZ 2.92Å; E528-L595 HydrophobicContact CG-CD2 4.12Å; E528-V596 HydrophobicContact CB-CG2 4.02Å; E528-V596 HydrophobicContact CG-CG2 4.27Å
529D86.3Confident87.8Confident157 Ų15787.3 Ų87.384%0.8443%0.431SS*.G310 helixtrans-72.1-22.7177.9-70.5-28.4000113.1D527 I531D527-D529 PolarHBondContact O-N 2.89Å; D527-D529 VanDerWaalsContact O-N 3.12Å; D529-I531 VanDerWaalsContact C-N 3.29Å
530E86.8Confident87.5Confident135 Ų13588.5 Ų88.563%0.63145%0.448SS*.G310 helixtrans-81.1-13.6176.5-59.2-173158.600112.2I526 D527 E528 S532I526-E530 HydrophobicContact CG2-CB 4.45Å; D527-E530 HydrophobicContact CB-CG 4.21Å; D527-E530 WeakPolarHBondContact O-CB 3.29Å; D527-E530 PolarHBondContact O-N 3.26Å; E528-E530 VanDerWaalsContact C-N 3.3Å; E528-E530 PolarHBondContact O-N 2.96Å; E530-S532 PolarHBondContact O-N 3.36Å
531I88.6Confident87.2Confident4 Ų489.4 Ų89.42%0.02145%0.452CS..SBendtrans-80114.5-179.2-53-177.3000109.7I526 E528 D529 F535 K536 L595 V596 K599I526-I531 HydrophobicContact CG2-CD1 4.27Å; I526-I531 HydrophobicContact CG2-CG1 3.81Å; E528-I531 WeakPolarHBondContact O-CB 3.46Å; E528-I531 PolarHBondContact O-N 3.11Å; D529-I531 VanDerWaalsContact C-N 3.29Å; I531-F535 HydrophobicContact CG2-CB 3.94Å; I531-F535 HydrophobicContact CG2-CD1 3.6Å; I531-F535 HydrophobicContact CG2-CG 4.12Å; I531-K536 HydrophobicContact CB-CG 4.44Å; I531-K536 HydrophobicContact CG2-CG 3.88Å; I531-K536 VanDerWaalsContact O-CE 3.24Å; I531-K536 WeakPolarHBondContact O-CE 3.37Å; I531-L595 HydrophobicContact CD1-CD2 4.35Å; I531-L595 HydrophobicContact CD1-CG 3.98Å; I531-L595 HydrophobicContact CG2-CD1 4.44Å; I531-V596 HydrophobicContact CD1-CB 4.49Å; I531-V596 HydrophobicContact CD1-CG2 3.99Å; I531-K599 HydrophobicContact CD1-CB 3.94Å; I531-K599 HydrophobicContact CD1-CG 4.16Å; I531-K599 HydrophobicContact CG1-CB 4.48Å; I531-K599 HydrophobicContact CG1-CG 4.16Å
532S88.9Confident87Confident70 Ų7090.5 Ų90.549%0.4946%0.457SS..  trans-54.4142.1177.670.70000113.1E530 R534 F535 K536E530-S532 PolarHBondContact O-N 3.36Å; S532-R534 PolarHBondContact O-N 2.91Å; S532-R534 VanDerWaalsContact O-N 3.08Å; S532-F535 WeakPolarHBondContact O-CA 3.35Å; S532-F535 WeakPolarHBondContact O-CB 3.27Å; S532-F535 PolarHBondContact O-N 2.8Å; S532-F535 PolarHBondContact OG-N 3.07Å; S532-K536 PolarHBondContact O-N 3.03Å
533D88.8Confident86.9Confident128 Ų12884.6 Ų84.668%0.68443%0.432SS*.Hα-helixtrans-54.6-32.3176.6-67.6-31.9000112.9K536 T537D533-K536 PolarHBondContact O-N 3.31Å; D533-T537 WeakPolarHBondContact O-CB 3.26Å; D533-T537 PolarHBondContact O-N 2.84Å; D533-T537 PolarHBondContact O-OG1 2.69Å
534R89.7Confident86.5Confident194 Ų19477.8 Ų77.873%0.73241%0.409SS*.Hα-helixtrans-61.1-45.1174.4-175.8179.3175.9-176.5-0.5111S532 T537 H538S532-R534 PolarHBondContact O-N 2.91Å; S532-R534 VanDerWaalsContact O-N 3.08Å; R534-T537 PolarHBondContact O-N 2.95Å; R534-H538 PolarHBondContact O-N 2.59Å; R534-H538 PolarHBondContact O-ND1 2.85Å
535F89.2Confident86.2Confident33 Ų3386.1 Ų86.115%0.14545%0.447CS..Hα-helixtrans-68.2-42.6177.9-168.3-87.4000111.1I531 S532 T537 H538 F539 L595 F598 K599 W602I531-F535 HydrophobicContact CG2-CB 3.94Å; I531-F535 HydrophobicContact CG2-CD1 3.6Å; I531-F535 HydrophobicContact CG2-CG 4.12Å; S532-F535 WeakPolarHBondContact O-CA 3.35Å; S532-F535 WeakPolarHBondContact O-CB 3.27Å; S532-F535 PolarHBondContact O-N 2.8Å; S532-F535 PolarHBondContact OG-N 3.07Å; F535-T537 VanDerWaalsContact C-N 3.28Å; F535-T537 PolarHBondContact O-N 3.23Å; F535-H538 PolarHBondContact O-N 3.22Å; F535-H538 VanDerWaalsContact O-N 3.12Å; F535-F539 WeakPolarHBondContact O-CB 3.28Å; F535-F539 PolarHBondContact O-N 3.13Å; F535-L595 HydrophobicContact CD1-CD1 4.17Å; F535-L595 HydrophobicContact CE1-CD1 4.31Å; F535-F598 AromaticContact CE1-CD1 3.95Å; F535-F598 HydrophobicContact CE1-CD1 3.95Å; F535-F598 HydrophobicContact CE1-CE1 4.37Å; F535-F598 AromaticContact CZ-CD1 3.69Å; F535-F598 HydrophobicContact CZ-CD1 3.69Å; F535-F598 AromaticContact CZ-CE1 3.78Å; F535-F598 HydrophobicContact CZ-CE1 3.78Å; F535-K599 HydrophobicContact CD1-CB 4.4Å; F535-K599 HydrophobicContact CD1-CD 3.99Å; F535-K599 HydrophobicContact CD2-CD 4.08Å; F535-K599 HydrophobicContact CE1-CB 3.7Å; F535-K599 HydrophobicContact CE1-CD 3.7Å; F535-K599 HydrophobicContact CE1-CG 4.18Å; F535-K599 HydrophobicContact CE2-CD 3.79Å; F535-K599 HydrophobicContact CG-CD 4.18Å; F535-K599 HydrophobicContact CZ-CB 4.09Å; F535-K599 HydrophobicContact CZ-CD 3.59Å; F535-K599 HydrophobicContact CZ-CG 4.42Å; F535-W602 HydrophobicContact CE2-CB 4.48Å; F535-W602 HydrophobicContact CE2-CG 4.2Å; F535-W602 HydrophobicContact CZ-CB 4.31Å; F535-W602 HydrophobicContact CZ-CG 4.47Å
536K88.4Confident86.3Confident57 Ų5783 Ų8325%0.24843%0.431CS..Hα-helixtrans-55.7-43.9174-61.1-169.8175.6178.70111.8E528 I531 S532 D533 F539 G540 L595E528-K536 WeakPolarHBondContact O-CE 3.28Å; E528-K536 PolarHBondContact O-NZ 2.92Å; I531-K536 HydrophobicContact CB-CG 4.44Å; I531-K536 HydrophobicContact CG2-CG 3.88Å; I531-K536 VanDerWaalsContact O-CE 3.24Å; I531-K536 WeakPolarHBondContact O-CE 3.37Å; S532-K536 PolarHBondContact O-N 3.03Å; D533-K536 PolarHBondContact O-N 3.31Å; K536-F539 PolarHBondContact O-N 2.96Å; K536-G540 PolarHBondContact O-N 3.13Å; K536-L595 HydrophobicContact CD-CD2 4.21Å; K536-L595 HydrophobicContact CG-CD1 4.43Å; K536-L595 HydrophobicContact CG-CD2 3.92Å
537T88.1Confident86.3Confident81 Ų8186.6 Ų86.650%0.49745%0.453SS..Hα-helixtrans-64.7-42.3176.8-53.40000112.1D533 R534 F535 G540 Q541D533-T537 WeakPolarHBondContact O-CB 3.26Å; D533-T537 PolarHBondContact O-N 2.84Å; D533-T537 PolarHBondContact O-OG1 2.69Å; R534-T537 PolarHBondContact O-N 2.95Å; F535-T537 VanDerWaalsContact C-N 3.28Å; F535-T537 PolarHBondContact O-N 3.23Å; T537-G540 PolarHBondContact O-N 2.76Å; T537-Q541 WeakPolarHBondContact O-CG 3.38Å; T537-Q541 PolarHBondContact O-N 3.49Å
538H85.8Confident86.5Confident87 Ų8783.9 Ų83.940%0.40344%0.437SS..Hα-helixtrans-67.3-41.9177.1-77.169.4000111.3R534 F535 G540 Q541 L542R534-H538 PolarHBondContact O-N 2.59Å; R534-H538 PolarHBondContact O-ND1 2.85Å; F535-H538 PolarHBondContact O-N 3.22Å; F535-H538 VanDerWaalsContact O-N 3.12Å; H538-G540 PolarHBondContact O-N 3.21Å; H538-Q541 PolarHBondContact O-N 3.41Å; H538-Q541 VanDerWaalsContact O-N 3.15Å; H538-L542 VanDerWaalsContact O-CG 3.25Å; H538-L542 WeakPolarHBondContact O-CG 3.49Å; H538-L542 PolarHBondContact O-N 3.38Å
539F89.3Confident86.8Confident8 Ų878.7 Ų78.74%0.03541%0.413CS..Hα-helixtrans-57.5-49.2174.4178-94000111F535 K536 Q541 L542 A543 V547 I549 L595 F598F535-F539 WeakPolarHBondContact O-CB 3.28Å; F535-F539 PolarHBondContact O-N 3.13Å; K536-F539 PolarHBondContact O-N 2.96Å; F539-Q541 PolarHBondContact O-N 2.96Å; F539-Q541 VanDerWaalsContact O-N 3.15Å; F539-L542 CarbonylContact O-C 3.44Å; F539-L542 PolarHBondContact O-N 2.92Å; F539-A543 HydrophobicContact CD1-CB 4.26Å; F539-A543 HydrophobicContact CE1-CB 3.88Å; F539-A543 HydrophobicContact CZ-CB 4.03Å; F539-A543 WeakPolarHBondContact O-CB 3.26Å; F539-A543 PolarHBondContact O-N 3.39Å; F539-V547 HydrophobicContact CE1-CG1 4.22Å; F539-V547 WeakPolarHBondContact CE1-O 3.48Å; F539-V547 WeakPolarHBondContact CZ-O 3.3Å; F539-I549 HydrophobicContact CD2-CD1 3.67Å; F539-I549 HydrophobicContact CD2-CG1 4.37Å; F539-I549 HydrophobicContact CE2-CD1 3.42Å; F539-I549 VanDerWaalsContact CE2-CD1 3.42Å; F539-I549 HydrophobicContact CE2-CG1 3.72Å; F539-I549 HydrophobicContact CZ-CD1 4.41Å; F539-I549 HydrophobicContact CZ-CG1 4.27Å; F539-L595 HydrophobicContact CB-CD1 3.58Å; F539-L595 HydrophobicContact CD1-CB 4.08Å; F539-L595 HydrophobicContact CD1-CD1 3.68Å; F539-L595 HydrophobicContact CD1-CG 4.45Å; F539-L595 HydrophobicContact CD2-CD1 4.07Å; F539-L595 HydrophobicContact CE1-CB 3.93Å; F539-L595 HydrophobicContact CE1-CD1 4.39Å; F539-L595 HydrophobicContact CG-CB 4.47Å; F539-L595 HydrophobicContact CG-CD1 3.49Å; F539-L595 VanDerWaalsContact CG-CD1 3.49Å; F539-L595 HydrophobicContact CZ-CB 4.19Å; F539-F598 HydrophobicContact CD2-CB 4.1Å; F539-F598 AromaticContact CD2-CD1 3.61Å; F539-F598 HydrophobicContact CD2-CD1 3.61Å; F539-F598 HydrophobicContact CD2-CE1 4.34Å; F539-F598 HydrophobicContact CD2-CG 4.05Å; F539-F598 HydrophobicContact CE2-CB 3.78Å; F539-F598 HydrophobicContact CE2-CD1 4.12Å; F539-F598 HydrophobicContact CE2-CG 4.07Å
540G85.9Confident87.2Confident51 Ų5172.5 Ų72.553%0.52638%0.382SS..Hα-helixtrans-63.3-19.7177.800000115K536 T537 H538K536-G540 PolarHBondContact O-N 3.13Å; T537-G540 PolarHBondContact O-N 2.76Å; H538-G540 PolarHBondContact O-N 3.21Å
541Q85.8Confident87.4Confident142 Ų14267.1 Ų67.166%0.66436%0.358SS*.Hα-helixtrans-84.4-19.9171.8-71174.75.100113.3T537 H538 F539T537-Q541 WeakPolarHBondContact O-CG 3.38Å; T537-Q541 PolarHBondContact O-N 3.49Å; H538-Q541 PolarHBondContact O-N 3.41Å; H538-Q541 VanDerWaalsContact O-N 3.15Å; F539-Q541 PolarHBondContact O-N 2.96Å; F539-Q541 VanDerWaalsContact O-N 3.15Å
542L85.9Confident87.6Confident47 Ų4774.1 Ų74.125%0.24639%0.385CS..Hα-helixtrans-100.7-34.8-175.7-68178.4000112.4H538 F539 I557H538-L542 VanDerWaalsContact O-CG 3.25Å; H538-L542 WeakPolarHBondContact O-CG 3.49Å; H538-L542 PolarHBondContact O-N 3.38Å; F539-L542 CarbonylContact O-C 3.44Å; F539-L542 PolarHBondContact O-N 2.92Å; L542-I557 HydrophobicContact CB-CD1 3.86Å; L542-I557 HydrophobicContact CB-CG1 4.42Å; L542-I557 HydrophobicContact CD1-CD1 4.2Å; L542-I557 HydrophobicContact CD1-CG1 4.28Å; L542-I557 HydrophobicContact CD1-CG2 4.09Å; L542-I557 HydrophobicContact CD2-CD1 4.45Å; L542-I557 HydrophobicContact CD2-CG1 4.08Å; L542-I557 HydrophobicContact CG-CD1 4.39Å; L542-I557 HydrophobicContact CG-CG1 4.49Å
543A84.6Confident87.8Confident13 Ų1372.7 Ų72.711%0.10737%0.371CS..SBendtrans-69.5149.1175.300000111.2F539 I549F539-A543 HydrophobicContact CD1-CB 4.26Å; F539-A543 HydrophobicContact CE1-CB 3.88Å; F539-A543 HydrophobicContact CZ-CB 4.03Å; F539-A543 WeakPolarHBondContact O-CB 3.26Å; F539-A543 PolarHBondContact O-N 3.39Å; A543-I549 HydrophobicContact CB-CG1 4.18Å
544G75.4Confident88Confident25 Ų2566.6 Ų66.626%0.25834%0.339SS..  trans-71.3-170178.800000113.3D546 V547 E548G544-D546 WeakPolarHBondContact CA-OD1 3.44Å; G544-D546 PolarHBondContact O-N 3.5Å; G544-V547 PolarHBondContact O-N 2.78Å; G544-E548 PolarHBondContact N-O 2.74Å
545E80.3Confident88.3Confident207 Ų20759.7 Ų59.797%0.96731%0.314SS*.THydrogen-bonded Turntrans-61.6-20.3174.1-65.6-174.8167.900113V547E545-V547 VanDerWaalsContact C-N 3.35Å
546D84.9Confident88.4Confident72 Ų7264.3 Ų64.339%0.38533%0.331SS..THydrogen-bonded Turntrans-84.5-2.9176.754-0.5000113.9G544 E548 K592G544-D546 WeakPolarHBondContact CA-OD1 3.44Å; G544-D546 PolarHBondContact O-N 3.5Å; D546-E548 PolarHBondContact O-N 3.47Å; D546-K592 IonicContact OD2-NZ 2.77Å; D546-K592 PolarHBondContact OD2-NZ 2.96Å
547V88.3Confident88.5Confident94 Ų9462 Ų6257%0.5732%0.321SS*.SBendtrans61.324.9179-161.10000112.5F539 G544 E545F539-V547 HydrophobicContact CE1-CG1 4.22Å; F539-V547 WeakPolarHBondContact CE1-O 3.48Å; F539-V547 WeakPolarHBondContact CZ-O 3.3Å; G544-V547 PolarHBondContact O-N 2.78Å; E545-V547 VanDerWaalsContact C-N 3.35Å
548E90.9Very high88.6Confident47 Ų4758.3 Ų58.322%0.2230%0.299CS..SBendtrans-127.6161.9176.5-67.5176.8149.300109.9G544 D546 K592 L593G544-E548 PolarHBondContact N-O 2.74Å; D546-E548 PolarHBondContact O-N 3.47Å; E548-K592 HydrophobicContact CB-CB 3.94Å; E548-K592 HydrophobicContact CB-CD 3.82Å; E548-K592 WeakPolarHBondContact OE2-CD 3.35Å; E548-K592 IonicContact OE2-NZ 2.63Å; E548-L593 WeakPolarHBondContact CA-O 3.25Å
549I92.1Very high88.9Confident0 Ų055.4 Ų55.40%029%0.286CS..EExtended strand (participates in β ladder)trans-110115176.9-64.5178.1000109.4F539 A543 E553 L554 I557 K592 L593 F598F539-I549 HydrophobicContact CD2-CD1 3.67Å; F539-I549 HydrophobicContact CD2-CG1 4.37Å; F539-I549 HydrophobicContact CE2-CD1 3.42Å; F539-I549 VanDerWaalsContact CE2-CD1 3.42Å; F539-I549 HydrophobicContact CE2-CG1 3.72Å; F539-I549 HydrophobicContact CZ-CD1 4.41Å; F539-I549 HydrophobicContact CZ-CG1 4.27Å; A543-I549 HydrophobicContact CB-CG1 4.18Å; I549-E553 HydrophobicContact CG2-CB 3.96Å; I549-L554 HydrophobicContact CG2-CB 3.87Å; I549-I557 HydrophobicContact CD1-CD1 4.02Å; I549-I557 HydrophobicContact CG2-CD1 4.12Å; I549-K592 WeakPolarHBondContact O-CA 3.49Å; I549-K592 WeakPolarHBondContact O-CB 3.49Å; I549-L593 HydrophobicContact CB-CB 4.47Å; I549-L593 PolarHBondContact N-O 3.1Å; I549-L593 PolarHBondContact O-N 2.81Å; I549-F598 HydrophobicContact CD1-CB 4.38Å; I549-F598 HydrophobicContact CD1-CD1 3.95Å; I549-F598 HydrophobicContact CD1-CD2 3.56Å; I549-F598 HydrophobicContact CD1-CE1 4.07Å; I549-F598 HydrophobicContact CD1-CE2 3.71Å; I549-F598 HydrophobicContact CD1-CG 3.68Å; I549-F598 HydrophobicContact CD1-CZ 3.95Å
550S92.8Very high88.8Confident28 Ų2861.2 Ų61.220%0.19631%0.308CS..EExtended strand (participates in β ladder)trans-77166.9172.968.80000112.9Y552 E553 L554S550-Y552 VanDerWaalsContact C-N 3.28Å; S550-Y552 PolarHBondContact O-N 3.35Å; S550-E553 VanDerWaalsContact CB-OE2 3.3Å; S550-E553 WeakPolarHBondContact CB-OE2 3.5Å; S550-E553 PolarHBondContact N-OE2 2.71Å; S550-E553 PolarHBondContact O-N 2.55Å; S550-E553 VanDerWaalsContact O-N 3.15Å; S550-E553 VanDerWaalsContact OG-CD 3.32Å; S550-E553 WeakPolarHBondContact OG-CG 2.93Å; S550-E553 PolarHBondContact OG-N 3.11Å; S550-E553 PolarHBondContact OG-OE2 3.46Å; S550-L554 WeakPolarHBondContact O-CB 3.4Å; S550-L554 PolarHBondContact O-N 3.19Å
551T92.6Very high88.8Confident22 Ų2261.6 Ų61.614%0.13530%0.3CS..Hα-helixtrans-52.3-43.5176.4-44.50000113.4Q555 L575 C578 R579 I582T551-Q555 PolarHBondContact O-N 3.11Å; T551-L575 HydrophobicContact CG2-CD2 4.09Å; T551-C578 HydrophobicContact CG2-CB 3.81Å; T551-R579 HydrophobicContact CG2-CB 4.5Å; T551-R579 HydrophobicContact CG2-CG 3.53Å; T551-I582 VanDerWaalsContact CA-CD1 3.42Å; T551-I582 HydrophobicContact CG2-CD1 4.43Å; T551-I582 WeakPolarHBondContact OG1-CD1 3.38Å
552Y91.9Very high88.7Confident150 Ų15055.4 Ų55.459%0.58827%0.271SS*.Hα-helixtrans-71.1-36.4-177.7-67.6-81.1000111.7S550 R556 L575S550-Y552 VanDerWaalsContact C-N 3.28Å; S550-Y552 PolarHBondContact O-N 3.35Å; Y552-R556 WeakPolarHBondContact O-CB 3.12Å; Y552-R556 PolarHBondContact O-N 3.01Å; Y552-R556 VanDerWaalsContact O-N 3.14Å; Y552-L575 HydrophobicContact CD1-CD1 4.28Å; Y552-L575 HydrophobicContact CD1-CD2 3.7Å; Y552-L575 HydrophobicContact CE1-CD1 3.69Å; Y552-L575 HydrophobicContact CE1-CD2 3.88Å; Y552-L575 HydrophobicContact CE1-CG 4.47Å; Y552-L575 HydrophobicContact CG-CD2 4.37Å
553E92.7Very high88.5Confident41 Ų4159.5 Ų59.519%0.19229%0.291CS..Hα-helixtrans-68-45.9175.3-72.5161146.400110.7I549 S550 Q555 R556 I557I549-E553 HydrophobicContact CG2-CB 3.96Å; S550-E553 VanDerWaalsContact CB-OE2 3.3Å; S550-E553 WeakPolarHBondContact CB-OE2 3.5Å; S550-E553 PolarHBondContact N-OE2 2.71Å; S550-E553 PolarHBondContact O-N 2.55Å; S550-E553 VanDerWaalsContact O-N 3.15Å; S550-E553 VanDerWaalsContact OG-CD 3.32Å; S550-E553 WeakPolarHBondContact OG-CG 2.93Å; S550-E553 PolarHBondContact OG-N 3.11Å; S550-E553 PolarHBondContact OG-OE2 3.46Å; E553-Q555 VanDerWaalsContact C-N 3.34Å; E553-Q555 PolarHBondContact O-N 3.1Å; E553-R556 PolarHBondContact O-N 3.38Å; E553-R556 VanDerWaalsContact O-N 3.15Å; E553-I557 WeakPolarHBondContact O-CB 3.47Å; E553-I557 WeakPolarHBondContact O-CD1 3.44Å; E553-I557 WeakPolarHBondContact O-CG1 3.46Å; E553-I557 PolarHBondContact O-N 3.41Å
554L94.1Very high88.5Confident0 Ų069 Ų690%032%0.324CS..Hα-helixtrans-54.8-50175.6-178.561000111.2I549 S550 R556 I557 L558 C578 M581 I582 L593 F598 L601I549-L554 HydrophobicContact CG2-CB 3.87Å; S550-L554 WeakPolarHBondContact O-CB 3.4Å; S550-L554 PolarHBondContact O-N 3.19Å; L554-R556 VanDerWaalsContact C-N 3.33Å; L554-R556 PolarHBondContact O-N 3.18Å; L554-I557 PolarHBondContact O-N 3.21Å; L554-L558 HydrophobicContact CD1-CD1 3.82Å; L554-L558 HydrophobicContact CD1-CD2 4.45Å; L554-L558 HydrophobicContact CD1-CG 3.94Å; L554-L558 HydrophobicContact CG-CD1 3.91Å; L554-L558 HydrophobicContact CG-CG 4.36Å; L554-L558 WeakPolarHBondContact O-CG 3.13Å; L554-L558 PolarHBondContact O-N 3.44Å; L554-C578 HydrophobicContact CD2-CB 4.08Å; L554-C578 HydrophobicContact CG-CB 4.41Å; L554-M581 HydrophobicContact CD2-CB 4.17Å; L554-M581 HydrophobicContact CD2-SD 4.16Å; L554-I582 HydrophobicContact CD2-CD1 4.29Å; L554-I582 HydrophobicContact CD2-CG1 3.97Å; L554-L593 HydrophobicContact CD2-CD1 4.09Å; L554-F598 HydrophobicContact CD1-CD2 4.23Å; L554-F598 HydrophobicContact CD1-CE2 3.77Å; L554-L601 HydrophobicContact CD1-CD2 3.81Å; L554-L601 HydrophobicContact CD2-CD2 3.79Å; L554-L601 HydrophobicContact CG-CD2 4.45Å
555Q95Very high88.8Confident48 Ų4872 Ų7222%0.22433%0.328CS..Hα-helixtrans-56.6-47.8177.6-171.5-172.441.500111.6T551 E553 I557 L558 N559 F573 L575 C578T551-Q555 PolarHBondContact O-N 3.11Å; E553-Q555 VanDerWaalsContact C-N 3.34Å; E553-Q555 PolarHBondContact O-N 3.1Å; Q555-I557 VanDerWaalsContact C-N 3.31Å; Q555-I557 PolarHBondContact O-N 3.07Å; Q555-L558 PolarHBondContact O-N 2.63Å; Q555-N559 VanDerWaalsContact O-CB 3.28Å; Q555-N559 WeakPolarHBondContact O-CB 3.31Å; Q555-N559 VanDerWaalsContact O-CG 3.24Å; Q555-N559 PolarHBondContact O-N 3.28Å; Q555-F573 WeakPolarHBondContact CG-O 3.43Å; Q555-F573 PolarHBondContact NE2-O 2.95Å; Q555-L575 HydrophobicContact CB-CD2 4.21Å; Q555-L575 HydrophobicContact CG-CD2 4.47Å; Q555-L575 VanDerWaalsContact OE1-CD2 3.27Å; Q555-C578 VanDerWaalsContact CA-SG 3.57Å
556R90.9Very high88.7Confident131 Ų13171.5 Ų71.549%0.49433%0.325SS..Hα-helixtrans-63.6-38.6-179.5-170.6-179.568.3164-2.4111.8Y552 E553 L554 R560Y552-R556 WeakPolarHBondContact O-CB 3.12Å; Y552-R556 PolarHBondContact O-N 3.01Å; Y552-R556 VanDerWaalsContact O-N 3.14Å; E553-R556 PolarHBondContact O-N 3.38Å; E553-R556 VanDerWaalsContact O-N 3.15Å; L554-R556 VanDerWaalsContact C-N 3.33Å; L554-R556 PolarHBondContact O-N 3.18Å; R556-R560 WeakPolarHBondContact O-CG 3.15Å; R556-R560 PolarHBondContact O-N 2.96Å
557I90.9Very high88.4Confident8 Ų871.2 Ų71.24%0.04132%0.324CS..Hα-helixtrans-65.2-54.5178.2-68.4160.6000109.9L542 I549 E553 L554 Q555 N559 R560 V561 F598 W602L542-I557 HydrophobicContact CB-CD1 3.86Å; L542-I557 HydrophobicContact CB-CG1 4.42Å; L542-I557 HydrophobicContact CD1-CD1 4.2Å; L542-I557 HydrophobicContact CD1-CG1 4.28Å; L542-I557 HydrophobicContact CD1-CG2 4.09Å; L542-I557 HydrophobicContact CD2-CD1 4.45Å; L542-I557 HydrophobicContact CD2-CG1 4.08Å; L542-I557 HydrophobicContact CG-CD1 4.39Å; L542-I557 HydrophobicContact CG-CG1 4.49Å; I549-I557 HydrophobicContact CD1-CD1 4.02Å; I549-I557 HydrophobicContact CG2-CD1 4.12Å; E553-I557 WeakPolarHBondContact O-CB 3.47Å; E553-I557 WeakPolarHBondContact O-CD1 3.44Å; E553-I557 WeakPolarHBondContact O-CG1 3.46Å; E553-I557 PolarHBondContact O-N 3.41Å; L554-I557 PolarHBondContact O-N 3.21Å; Q555-I557 VanDerWaalsContact C-N 3.31Å; Q555-I557 PolarHBondContact O-N 3.07Å; I557-N559 VanDerWaalsContact C-N 3.35Å; I557-N559 PolarHBondContact O-N 2.8Å; I557-R560 PolarHBondContact O-N 2.78Å; I557-V561 WeakPolarHBondContact O-CG2 3.42Å; I557-F598 HydrophobicContact CG2-CZ 4.32Å; I557-W602 HydrophobicContact CG2-CZ3 4.2Å
558L91.4Very high88.2Confident4 Ų467.3 Ų67.32%0.02130%0.3CS..Hα-helixtrans-64-40.1-176.8-63.4177.1000111.6L554 Q555 R560 V561 V562 F573 M581 W602 I605L554-L558 HydrophobicContact CD1-CD1 3.82Å; L554-L558 HydrophobicContact CD1-CD2 4.45Å; L554-L558 HydrophobicContact CD1-CG 3.94Å; L554-L558 HydrophobicContact CG-CD1 3.91Å; L554-L558 HydrophobicContact CG-CG 4.36Å; L554-L558 WeakPolarHBondContact O-CG 3.13Å; L554-L558 PolarHBondContact O-N 3.44Å; Q555-L558 PolarHBondContact O-N 2.63Å; L558-R560 VanDerWaalsContact C-N 3.34Å; L558-R560 PolarHBondContact O-N 3.07Å; L558-V561 WeakPolarHBondContact O-CB 3.24Å; L558-V561 PolarHBondContact O-N 2.79Å; L558-V562 PolarHBondContact O-N 3.34Å; L558-F573 HydrophobicContact CB-CD2 3.44Å; L558-F573 VanDerWaalsContact CB-CD2 3.44Å; L558-F573 HydrophobicContact CB-CE2 3.84Å; L558-F573 HydrophobicContact CB-CG 4.31Å; L558-F573 HydrophobicContact CD1-CD2 3.87Å; L558-F573 HydrophobicContact CD1-CE2 4.05Å; L558-F573 HydrophobicContact CD1-CG 4.16Å; L558-F573 HydrophobicContact CG-CD2 4.25Å; L558-F573 HydrophobicContact CG-CE2 4.39Å; L558-M581 HydrophobicContact CD1-CE 4.06Å; L558-M581 HydrophobicContact CD1-SD 3.75Å; L558-W602 HydrophobicContact CD2-CE3 4.31Å; L558-W602 HydrophobicContact CD2-CZ3 3.97Å; L558-I605 HydrophobicContact CD1-CD1 3.86Å; L558-I605 HydrophobicContact CD2-CD1 3.66Å; L558-I605 HydrophobicContact CG-CD1 4.43Å
559N91.5Very high87.6Confident26 Ų2671.5 Ų71.514%0.13932%0.317CS..Hα-helixtrans-69.1-31-179.7-70.4-3.4000112.8Q555 I557 V561 M563 G572 F573Q555-N559 VanDerWaalsContact O-CB 3.28Å; Q555-N559 WeakPolarHBondContact O-CB 3.31Å; Q555-N559 VanDerWaalsContact O-CG 3.24Å; Q555-N559 PolarHBondContact O-N 3.28Å; I557-N559 VanDerWaalsContact C-N 3.35Å; I557-N559 PolarHBondContact O-N 2.8Å; N559-V561 PolarHBondContact O-N 3.33Å; N559-M563 HydrophobicContact CB-CG 4.38Å; N559-M563 HydrophobicContact CB-SD 4.16Å; N559-M563 WeakPolarHBondContact O-CB 3.26Å; N559-M563 WeakPolarHBondContact O-CG 3.15Å; N559-M563 PolarHBondContact O-N 3.02Å; N559-G572 WeakPolarHBondContact OD1-CA 3.48Å; N559-F573 PolarHBondContact ND2-O 2.81Å; N559-F573 PolarHBondContact OD1-N 3.17Å
560R87.4Confident86.9Confident129 Ų12973 Ų7349%0.48733%0.327SS..Hα-helixtrans-61.5-26.6170.9-79.2179-167.5176.15.3112.9R556 I557 L558 R564R556-R560 WeakPolarHBondContact O-CG 3.15Å; R556-R560 PolarHBondContact O-N 2.96Å; I557-R560 PolarHBondContact O-N 2.78Å; L558-R560 VanDerWaalsContact C-N 3.34Å; L558-R560 PolarHBondContact O-N 3.07Å; R560-R564 VanDerWaalsContact O-CD 3.22Å; R560-R564 WeakPolarHBondContact O-CD 3.4Å; R560-R564 VanDerWaalsContact O-CG 3.3Å; R560-R564 WeakPolarHBondContact O-CG 3.42Å; R560-R564 PolarHBondContact O-NE 3.31Å
561V84.8Confident86.3Confident60 Ų6076.7 Ų76.736%0.36435%0.353SS..Hα-helixtrans-89.1-54.2-177.8179.50000109.4I557 L558 N559 R564 W602I557-V561 WeakPolarHBondContact O-CG2 3.42Å; L558-V561 WeakPolarHBondContact O-CB 3.24Å; L558-V561 PolarHBondContact O-N 2.79Å; N559-V561 PolarHBondContact O-N 3.33Å; V561-R564 PolarHBondContact O-N 2.91Å; V561-W602 HydrophobicContact CG2-CH2 3.9Å
562V84.3Confident86.1Confident11 Ų1175.7 Ų75.77%0.06735%0.348CS..Hα-helixtrans-66.1-41.2-176.5176.20000111.9L558 R564 R565 I568 F573 F660L558-V562 PolarHBondContact O-N 3.34Å; V562-R564 PolarHBondContact O-N 2.78Å; V562-R564 VanDerWaalsContact O-N 3.11Å; V562-R565 VanDerWaalsContact O-CB 3.28Å; V562-R565 WeakPolarHBondContact O-CB 3.32Å; V562-R565 PolarHBondContact O-N 3.3Å; V562-I568 HydrophobicContact CG1-CD1 4.39Å; V562-F573 HydrophobicContact CG2-CD2 4.08Å; V562-F573 HydrophobicContact CG2-CE2 3.55Å; V562-F660 HydrophobicContact CG1-CD1 4.49Å; V562-F660 HydrophobicContact CG2-CD1 4.4Å; V562-F660 HydrophobicContact CG2-CE1 4.31Å
563M81.9Confident86.2Confident133 Ų13368.7 Ų68.766%0.65532%0.32SS*.THydrogen-bonded Turntrans-70.7-9.4-178.5-62-179.179.200114.1N559 R565N559-M563 HydrophobicContact CB-CG 4.38Å; N559-M563 HydrophobicContact CB-SD 4.16Å; N559-M563 WeakPolarHBondContact O-CB 3.26Å; N559-M563 WeakPolarHBondContact O-CG 3.15Å; N559-M563 PolarHBondContact O-N 3.02Å; M563-R565 VanDerWaalsContact C-N 3.32Å
564R84.4Confident86.2Confident212 Ų21268.7 Ų68.780%0.832%0.324SS*.THydrogen-bonded Turntrans-88.7-3.3173.7-70.7-179178.9-176.7-0.8112.8R560 V561 V562R560-R564 VanDerWaalsContact O-CD 3.22Å; R560-R564 WeakPolarHBondContact O-CD 3.4Å; R560-R564 VanDerWaalsContact O-CG 3.3Å; R560-R564 WeakPolarHBondContact O-CG 3.42Å; R560-R564 PolarHBondContact O-NE 3.31Å; V561-R564 PolarHBondContact O-N 2.91Å; V562-R564 PolarHBondContact O-N 2.78Å; V562-R564 VanDerWaalsContact O-N 3.11Å
565R81.2Confident86.2Confident90 Ų9070.9 Ų70.934%0.3434%0.336SS..  trans-97124.8-176.4-64.6-16382114.819.6109.4V562 M563 D567 I568 L609 K613V562-R565 VanDerWaalsContact O-CB 3.28Å; V562-R565 WeakPolarHBondContact O-CB 3.32Å; V562-R565 PolarHBondContact O-N 3.3Å; M563-R565 VanDerWaalsContact C-N 3.32Å; R565-D567 WeakPolarHBondContact CB-OD1 3.46Å; R565-D567 IonicContact CZ-OD2 3.71Å; R565-D567 IonicContact NE-OD1 3.22Å; R565-D567 PolarHBondContact NE-OD1 3.34Å; R565-D567 IonicContact NE-OD2 3.59Å; R565-D567 PolarHBondContact NE-OD2 3.48Å; R565-D567 IonicContact NH2-OD1 3.04Å; R565-D567 IonicContact NH2-OD2 3.94Å; R565-D567 PolarHBondContact NH2-OD2 2.96Å; R565-I568 HydrophobicContact CB-CD1 4.3Å; R565-I568 HydrophobicContact CB-CG1 4.44Å; R565-L609 VanDerWaalsContact NH1-CD2 3.32Å; R565-K613 VanDerWaalsContact CZ-NZ 3.34Å
566E77.9Confident86.1Confident196 Ų19671.3 Ų71.392%0.91635%0.348SS*.SBendtrans-84.1-18.8174-64.3-177.6177.200111.6I568E566-I568 PolarHBondContact O-N 3.26Å
567D80.1Confident86.3Confident66 Ų6665.5 Ų65.535%0.35333%0.327SS..SBendtrans-77.2-0.2179.951.6-44.1000114.1R565 K613R565-D567 WeakPolarHBondContact CB-OD1 3.46Å; R565-D567 IonicContact CZ-OD2 3.71Å; R565-D567 IonicContact NE-OD1 3.22Å; R565-D567 PolarHBondContact NE-OD1 3.34Å; R565-D567 IonicContact NE-OD2 3.59Å; R565-D567 PolarHBondContact NE-OD2 3.48Å; R565-D567 IonicContact NH2-OD1 3.04Å; R565-D567 IonicContact NH2-OD2 3.94Å; R565-D567 PolarHBondContact NH2-OD2 2.96Å; D567-K613 WeakPolarHBondContact OD2-CE 3.3Å; D567-K613 IonicContact OD2-NZ 3.26Å; D567-K613 PolarHBondContact OD2-NZ 2.97Å
568I82.9Confident86.5Confident12 Ų1265.1 Ų65.16%0.06233%0.325CS..  trans-135.4126.5179.6-51.9171.9000109V562 R565 E566 S570 L609 F660V562-I568 HydrophobicContact CG1-CD1 4.39Å; R565-I568 HydrophobicContact CB-CD1 4.3Å; R565-I568 HydrophobicContact CB-CG1 4.44Å; E566-I568 PolarHBondContact O-N 3.26Å; I568-S570 PolarHBondContact O-N 2.82Å; I568-L609 HydrophobicContact CD1-CD1 3.33Å; I568-L609 HydrophobicContact CG1-CD1 4.19Å; I568-F660 HydrophobicContact CD1-CD1 4.31Å; I568-F660 HydrophobicContact CG2-CB 3.51Å; I568-F660 HydrophobicContact CG2-CG 4.17Å
569K79.2Confident86.5Confident135 Ų13570.5 Ų70.559%0.58735%0.345SS*.  trans-9591.9170.1-70.2-173.8-171.1148.10109.1S620 G621K569-S620 WeakPolarHBondContact CD-O 3.28Å; K569-S620 WeakPolarHBondContact CE-O 3.41Å; K569-S620 PolarHBondContact NZ-O 2.88Å; K569-G621 PolarHBondContact N-O 3.44Å
570S77.4Confident86.6Confident31 Ų3170.6 Ų70.622%0.21735%0.346CS..  trans-139.4152.4172.1-178.40000110.7I568 G572 D659I568-S570 PolarHBondContact O-N 2.82Å; S570-G572 PolarHBondContact O-N 2.86Å; S570-G572 PolarHBondContact OG-N 2.86Å; S570-D659 WeakPolarHBondContact CB-OD2 3.2Å; S570-D659 PolarHBondContact OG-OD2 2.85Å
571S80.7Confident86.9Confident105 Ų10564.5 Ų64.573%0.73432%0.323SS*.SBendtrans-75.32.117168.90000113.2
572G87.3Confident87.3Confident2 Ų261.7 Ų61.72%0.02131%0.305CS..  trans92.9167.8-16900000110.9N559 S570N559-G572 WeakPolarHBondContact OD1-CA 3.48Å; S570-G572 PolarHBondContact O-N 2.86Å; S570-G572 PolarHBondContact OG-N 2.86Å
573F93.3Very high87.5Confident3 Ų364.1 Ų64.11%0.01332%0.318CS..  trans-63.2132.9175.6-72.3-78000112Q555 L558 N559 V562 T577 M581 F660 D661 V664Q555-F573 WeakPolarHBondContact CG-O 3.43Å; Q555-F573 PolarHBondContact NE2-O 2.95Å; L558-F573 HydrophobicContact CB-CD2 3.44Å; L558-F573 VanDerWaalsContact CB-CD2 3.44Å; L558-F573 HydrophobicContact CB-CE2 3.84Å; L558-F573 HydrophobicContact CB-CG 4.31Å; L558-F573 HydrophobicContact CD1-CD2 3.87Å; L558-F573 HydrophobicContact CD1-CE2 4.05Å; L558-F573 HydrophobicContact CD1-CG 4.16Å; L558-F573 HydrophobicContact CG-CD2 4.25Å; L558-F573 HydrophobicContact CG-CE2 4.39Å; N559-F573 PolarHBondContact ND2-O 2.81Å; N559-F573 PolarHBondContact OD1-N 3.17Å; V562-F573 HydrophobicContact CG2-CD2 4.08Å; V562-F573 HydrophobicContact CG2-CE2 3.55Å; F573-T577 HydrophobicContact CD1-CG2 3.85Å; F573-T577 HydrophobicContact CE1-CG2 4.29Å; F573-M581 HydrophobicContact CD1-CE 3.58Å; F573-M581 HydrophobicContact CE1-CE 3.35Å; F573-M581 HydrophobicContact CG-CE 4.41Å; F573-M581 HydrophobicContact CZ-CE 3.99Å; F573-F660 HydrophobicContact CE1-CE1 4.47Å; F573-F660 HydrophobicContact CE2-CD1 4.4Å; F573-F660 HydrophobicContact CE2-CE1 4.11Å; F573-F660 AromaticContact CZ-CD1 3.91Å; F573-F660 HydrophobicContact CZ-CD1 3.91Å; F573-F660 AromaticContact CZ-CE1 3.56Å; F573-F660 HydrophobicContact CZ-CE1 3.56Å; F573-F660 HydrophobicContact CZ-CZ 4.45Å; F573-D661 WeakPolarHBondContact CA-OD1 3.39Å; F573-D661 HydrophobicContact CD1-CB 4.44Å; F573-D661 VanDerWaalsContact CD1-OD1 3.27Å; F573-D661 WeakPolarHBondContact CD1-OD1 3.16Å; F573-V664 HydrophobicContact CE1-CB 3.87Å; F573-V664 HydrophobicContact CE1-CG1 3.96Å; F573-V664 HydrophobicContact CE1-CG2 4.06Å; F573-V664 HydrophobicContact CZ-CG2 4.26Å
574S94.2Very high87.9Confident40 Ų4058.9 Ų58.928%0.2829%0.293SS..  trans-76.6158.1171.470.90000111.9A576 T577 C578 D661S574-A576 PolarHBondContact O-N 3.44Å; S574-T577 PolarHBondContact O-N 3.03Å; S574-T577 PolarHBondContact OG-N 2.94Å; S574-T577 PolarHBondContact OG-OG1 2.89Å; S574-T577 VanDerWaalsContact OG-OG1 3.07Å; S574-C578 PolarHBondContact O-N 2.78Å; S574-C578 VanDerWaalsContact O-N 3.08Å; S574-C578 PolarHBondContact O-SG 2.97Å; S574-D661 WeakPolarHBondContact CB-OD2 3.23Å; S574-D661 PolarHBondContact N-OD1 2.88Å; S574-D661 PolarHBondContact N-OD2 2.93Å; S574-D661 PolarHBondContact OG-OD2 3.34Å; S574-D661 VanDerWaalsContact OG-OD2 3.05Å
575L94.1Very high88.1Confident46 Ų4649.6 Ų49.624%0.24126%0.259CS..Hα-helixtrans-61.6-30.1172.7-74.8172.7000111.9T551 Y552 Q555 R579T551-L575 HydrophobicContact CG2-CD2 4.09Å; Y552-L575 HydrophobicContact CD1-CD1 4.28Å; Y552-L575 HydrophobicContact CD1-CD2 3.7Å; Y552-L575 HydrophobicContact CE1-CD1 3.69Å; Y552-L575 HydrophobicContact CE1-CD2 3.88Å; Y552-L575 HydrophobicContact CE1-CG 4.47Å; Y552-L575 HydrophobicContact CG-CD2 4.37Å; Q555-L575 HydrophobicContact CB-CD2 4.21Å; Q555-L575 HydrophobicContact CG-CD2 4.47Å; Q555-L575 VanDerWaalsContact OE1-CD2 3.27Å; L575-R579 VanDerWaalsContact O-CG 3.26Å; L575-R579 WeakPolarHBondContact O-CG 3.26Å; L575-R579 PolarHBondContact O-N 3.07Å
576A92.1Very high88.3Confident58 Ų5846.6 Ų46.648%0.47925%0.249SC..Hα-helixtrans-65.6-46.8177.800000110.9S574 R579 N580S574-A576 PolarHBondContact O-N 3.44Å; A576-R579 PolarHBondContact O-N 3.32Å; A576-N580 PolarHBondContact O-N 3.45Å; A576-N580 PolarHBondContact O-ND2 3.49Å
577T94.3Very high88.1Confident8 Ų846.1 Ų46.15%0.04924%0.244CC..Hα-helixtrans-62-45.3175.4-550000111.6F573 S574 R579 N580 M581 D661 V664F573-T577 HydrophobicContact CD1-CG2 3.85Å; F573-T577 HydrophobicContact CE1-CG2 4.29Å; S574-T577 PolarHBondContact O-N 3.03Å; S574-T577 PolarHBondContact OG-N 2.94Å; S574-T577 PolarHBondContact OG-OG1 2.89Å; S574-T577 VanDerWaalsContact OG-OG1 3.07Å; T577-R579 VanDerWaalsContact C-N 3.29Å; T577-R579 PolarHBondContact O-N 3.44Å; T577-N580 PolarHBondContact O-N 2.75Å; T577-N580 VanDerWaalsContact O-N 3.17Å; T577-M581 HydrophobicContact CG2-CE 3.57Å; T577-M581 WeakPolarHBondContact O-CG 3.39Å; T577-M581 PolarHBondContact O-N 3.49Å; T577-D661 WeakPolarHBondContact CB-OD1 3.42Å; T577-D661 WeakPolarHBondContact CG2-OD1 3.36Å; T577-D661 PolarHBondContact OG1-OD1 2.83Å; T577-V664 HydrophobicContact CG2-CG1 4.5Å
578C95.3Very high88Confident0 Ų047.7 Ų47.70%025%0.253CS..Hα-helixtrans-61.6-34.3176.8-66.60000113T551 L554 Q555 S574 M581 I582T551-C578 HydrophobicContact CG2-CB 3.81Å; L554-C578 HydrophobicContact CD2-CB 4.08Å; L554-C578 HydrophobicContact CG-CB 4.41Å; Q555-C578 VanDerWaalsContact CA-SG 3.57Å; S574-C578 PolarHBondContact O-N 2.78Å; S574-C578 VanDerWaalsContact O-N 3.08Å; S574-C578 PolarHBondContact O-SG 2.97Å; C578-M581 PolarHBondContact O-N 3.46Å; C578-I582 WeakPolarHBondContact O-CG1 3.25Å; C578-I582 PolarHBondContact O-N 3.42Å; C578-I582 VanDerWaalsContact O-N 3.12Å
579R93.1Very high87.9Confident117 Ų11750.1 Ų50.144%0.44228%0.281SS..Hα-helixtrans-65.8-46172.8-73.8172.1-175.2145-0111.6T551 L575 A576 T577 M581 I582 N583T551-R579 HydrophobicContact CG2-CB 4.5Å; T551-R579 HydrophobicContact CG2-CG 3.53Å; L575-R579 VanDerWaalsContact O-CG 3.26Å; L575-R579 WeakPolarHBondContact O-CG 3.26Å; L575-R579 PolarHBondContact O-N 3.07Å; A576-R579 PolarHBondContact O-N 3.32Å; T577-R579 VanDerWaalsContact C-N 3.29Å; T577-R579 PolarHBondContact O-N 3.44Å; R579-M581 VanDerWaalsContact C-N 3.27Å; R579-M581 PolarHBondContact O-N 2.78Å; R579-I582 PolarHBondContact O-N 3.19Å; R579-I582 VanDerWaalsContact O-N 3.17Å; R579-N583 VanDerWaalsContact O-CG 3.23Å; R579-N583 PolarHBondContact O-N 3.44Å; R579-N583 PolarHBondContact O-OD1 2.83Å
580N92.1Very high88.2Confident29 Ų2946.7 Ų46.716%0.15527%0.271CS..Hα-helixtrans-59.7-39.6176.1-66.6-30.3000111.6A576 T577 I582 N583 L584 I668A576-N580 PolarHBondContact O-N 3.45Å; A576-N580 PolarHBondContact O-ND2 3.49Å; T577-N580 PolarHBondContact O-N 2.75Å; T577-N580 VanDerWaalsContact O-N 3.17Å; N580-I582 VanDerWaalsContact C-N 3.34Å; N580-I582 PolarHBondContact O-N 3.32Å; N580-N583 PolarHBondContact O-N 2.94Å; N580-L584 PolarHBondContact O-N 2.75Å; N580-I668 VanDerWaalsContact C-CG2 3.49Å; N580-I668 HydrophobicContact CB-CG2 3.93Å; N580-I668 WeakPolarHBondContact O-CG2 3.19Å
581M94.8Very high88.7Confident0 Ų046.8 Ų46.80%028%0.278CS..Hα-helixtrans-61.8-41.7176.4-70.7175.1-175.700112.5L554 L558 F573 T577 C578 R579 L601 I605 V664 I668L554-M581 HydrophobicContact CD2-CB 4.17Å; L554-M581 HydrophobicContact CD2-SD 4.16Å; L558-M581 HydrophobicContact CD1-CE 4.06Å; L558-M581 HydrophobicContact CD1-SD 3.75Å; F573-M581 HydrophobicContact CD1-CE 3.58Å; F573-M581 HydrophobicContact CE1-CE 3.35Å; F573-M581 HydrophobicContact CG-CE 4.41Å; F573-M581 HydrophobicContact CZ-CE 3.99Å; T577-M581 HydrophobicContact CG2-CE 3.57Å; T577-M581 WeakPolarHBondContact O-CG 3.39Å; T577-M581 PolarHBondContact O-N 3.49Å; C578-M581 PolarHBondContact O-N 3.46Å; R579-M581 VanDerWaalsContact C-N 3.27Å; R579-M581 PolarHBondContact O-N 2.78Å; M581-L601 HydrophobicContact CB-CD1 3.83Å; M581-L601 HydrophobicContact CB-CD2 3.99Å; M581-L601 HydrophobicContact CG-CD1 3.88Å; M581-L601 HydrophobicContact SD-CD1 4.11Å; M581-L601 HydrophobicContact SD-CD2 4.2Å; M581-I605 HydrophobicContact CE-CD1 4.01Å; M581-I605 HydrophobicContact CE-CG1 4.46Å; M581-I605 HydrophobicContact SD-CD1 4.03Å; M581-V664 HydrophobicContact CE-CB 4.47Å; M581-V664 HydrophobicContact CE-CG1 3.41Å; M581-V664 VanDerWaalsContact CE-CG1 3.41Å; M581-I668 HydrophobicContact CG-CD1 4.48Å; M581-I668 HydrophobicContact CG-CG1 4.2Å; M581-I668 HydrophobicContact CG-CG2 4.4Å
582I92.8Very high89.2Confident1 Ų144.5 Ų44.51%0.00525%0.254CS..Hα-helixtrans-66-51.4175.9-68.5174.8000109.4T551 L554 C578 R579 N580 L584 L585 D586 L593T551-I582 VanDerWaalsContact CA-CD1 3.42Å; T551-I582 HydrophobicContact CG2-CD1 4.43Å; T551-I582 WeakPolarHBondContact OG1-CD1 3.38Å; L554-I582 HydrophobicContact CD2-CD1 4.29Å; L554-I582 HydrophobicContact CD2-CG1 3.97Å; C578-I582 WeakPolarHBondContact O-CG1 3.25Å; C578-I582 PolarHBondContact O-N 3.42Å; C578-I582 VanDerWaalsContact O-N 3.12Å; R579-I582 PolarHBondContact O-N 3.19Å; R579-I582 VanDerWaalsContact O-N 3.17Å; N580-I582 VanDerWaalsContact C-N 3.34Å; N580-I582 PolarHBondContact O-N 3.32Å; I582-L584 PolarHBondContact O-N 3.46Å; I582-L584 VanDerWaalsContact O-N 3.12Å; I582-L585 PolarHBondContact O-N 3.42Å; I582-D586 HydrophobicContact CG2-CB 3.97Å; I582-D586 WeakPolarHBondContact O-CB 3.3Å; I582-D586 PolarHBondContact O-N 3Å; I582-L593 HydrophobicContact CG1-CD1 3.97Å; I582-L593 HydrophobicContact CG1-CD2 4.48Å; I582-L593 HydrophobicContact CG1-CG 3.97Å
583N88.8Confident89.5Confident62 Ų6244.4 Ų44.433%0.33225%0.253SS..Hα-helixtrans-58.3-30.6-177.9-67.1-4.5000113.5R579 N580 L585 L701R579-N583 VanDerWaalsContact O-CG 3.23Å; R579-N583 PolarHBondContact O-N 3.44Å; R579-N583 PolarHBondContact O-OD1 2.83Å; N580-N583 PolarHBondContact O-N 2.94Å; N583-L585 VanDerWaalsContact C-N 3.33Å; N583-L701 PolarHBondContact ND2-O 3.15Å
584L89.3Confident89.4Confident24 Ų2445.1 Ų45.113%0.12626%0.262CS..Hα-helixtrans-67.2-32.6175.3177.464.2000112.9N580 I582 I668 E671 T672N580-L584 PolarHBondContact O-N 2.75Å; I582-L584 PolarHBondContact O-N 3.46Å; I582-L584 VanDerWaalsContact O-N 3.12Å; L584-I668 HydrophobicContact CB-CG2 4.13Å; L584-I668 HydrophobicContact CD2-CD1 3.54Å; L584-I668 HydrophobicContact CD2-CG2 4.03Å; L584-E671 HydrophobicContact CD1-CB 4.13Å; L584-E671 HydrophobicContact CD1-CG 4.01Å; L584-E671 HydrophobicContact CD2-CB 4.37Å; L584-E671 HydrophobicContact CD2-CG 4.46Å; L584-T672 WeakPolarHBondContact CD1-OG1 3.47Å
585L89.8Confident89.2Confident16 Ų1644.6 Ų44.68%0.08426%0.256CS..Hα-helixtrans-114.5-22-166.5-65.5173.1000114.1I582 N583 K587 L593 E597 I600 L601I582-L585 PolarHBondContact O-N 3.42Å; N583-L585 VanDerWaalsContact C-N 3.33Å; L585-K587 PolarHBondContact O-N 2.81Å; L585-L593 HydrophobicContact CB-CD2 3.78Å; L585-L593 HydrophobicContact CD1-CD2 4.5Å; L585-E597 HydrophobicContact CB-CB 4.36Å; L585-E597 VanDerWaalsContact O-OE1 3.08Å; L585-I600 HydrophobicContact CD2-CG2 3.8Å; L585-L601 HydrophobicContact CD1-CB 3.39Å; L585-L601 HydrophobicContact CD1-CD1 3.83Å; L585-L601 HydrophobicContact CD1-CD2 4.49Å; L585-L601 HydrophobicContact CD1-CG 4.06Å
586D85Confident89.1Confident27 Ų2744.5 Ų44.514%0.14426%0.257CS..  trans-67.888177.2175.916.1000110.1I582 G589 T590 G591I582-D586 HydrophobicContact CG2-CB 3.97Å; I582-D586 WeakPolarHBondContact O-CB 3.3Å; I582-D586 PolarHBondContact O-N 3Å; D586-G589 VanDerWaalsContact OD1-CA 3.31Å; D586-G589 WeakPolarHBondContact OD1-CA 3.2Å; D586-G589 PolarHBondContact OD1-N 2.54Å; D586-G589 WeakPolarHBondContact OD2-CA 3.21Å; D586-T590 PolarHBondContact OD1-N 3.13Å; D586-T590 PolarHBondContact OD1-OG1 3.13Å; D586-T590 PolarHBondContact OD2-N 2.79Å; D586-G591 VanDerWaalsContact OD2-CA 3.24Å; D586-G591 WeakPolarHBondContact OD2-CA 3.46Å; D586-G591 PolarHBondContact OD2-N 3.02Å
587K73.7Confident89.1Confident186 Ų18643.1 Ų43.181%0.80924%0.241SC*.SBendtrans-81.1-20.3-178.7-69.9-178.9-175.31750112.5L585 E597L585-K587 PolarHBondContact O-N 2.81Å; K587-E597 PolarHBondContact N-OE1 3.39Å
588D79.1Confident89Confident100 Ų10043 Ų4354%0.53524%0.239SC..SBendtrans-98.4-7.5-176.366.67.8000113.8T590D588-T590 HydrophobicContact CB-CG2 4.47Å; D588-T590 VanDerWaalsContact CG-CG2 3.42Å; D588-T590 WeakPolarHBondContact OD1-CB 3.37Å; D588-T590 WeakPolarHBondContact OD1-CG2 3.34Å; D588-T590 PolarHBondContact OD1-N 3.23Å; D588-T590 PolarHBondContact OD1-OG1 3.17Å; D588-T590 WeakPolarHBondContact OD2-CG2 3.35Å
589G80.9Confident88.8Confident63 Ų6345 Ų4565%0.64925%0.248SC*.SBendtrans7723.4174.400000113.1D586 G591D586-G589 VanDerWaalsContact OD1-CA 3.31Å; D586-G589 WeakPolarHBondContact OD1-CA 3.2Å; D586-G589 PolarHBondContact OD1-N 2.54Å; D586-G589 WeakPolarHBondContact OD2-CA 3.21Å; G589-G591 VanDerWaalsContact C-N 3.29Å
590T85.6Confident88.8Confident62 Ų6240.3 Ų40.338%0.3823%0.231SC..SBendtrans-75.6-18.4-179.354.20000113D586 D588 K592D586-T590 PolarHBondContact OD1-N 3.13Å; D586-T590 PolarHBondContact OD1-OG1 3.13Å; D586-T590 PolarHBondContact OD2-N 2.79Å; D588-T590 HydrophobicContact CB-CG2 4.47Å; D588-T590 VanDerWaalsContact CG-CG2 3.42Å; D588-T590 WeakPolarHBondContact OD1-CB 3.37Å; D588-T590 WeakPolarHBondContact OD1-CG2 3.34Å; D588-T590 PolarHBondContact OD1-N 3.23Å; D588-T590 PolarHBondContact OD1-OG1 3.17Å; D588-T590 WeakPolarHBondContact OD2-CG2 3.35Å; T590-K592 VanDerWaalsContact C-N 3.26Å; T590-K592 PolarHBondContact OG1-N 3.28Å
591G87.1Confident88.8Confident34 Ų3439 Ų3935%0.35122%0.224SC..SBendtrans72.618.5-170.600000113.1D586 G589D586-G591 VanDerWaalsContact OD2-CA 3.24Å; D586-G591 WeakPolarHBondContact OD2-CA 3.46Å; D586-G591 PolarHBondContact OD2-N 3.02Å; G589-G591 VanDerWaalsContact C-N 3.29Å
592K91.7Very high88.7Confident56 Ų5641.5 Ų41.524%0.24323%0.234CC..EExtended strand (participates in β ladder)trans-139.7177.5-178.3-58.6-176.7-166.7161.30110.4D546 E548 I549 T590D546-K592 IonicContact OD2-NZ 2.77Å; D546-K592 PolarHBondContact OD2-NZ 2.96Å; E548-K592 HydrophobicContact CB-CB 3.94Å; E548-K592 HydrophobicContact CB-CD 3.82Å; E548-K592 WeakPolarHBondContact OE2-CD 3.35Å; E548-K592 IonicContact OE2-NZ 2.63Å; I549-K592 WeakPolarHBondContact O-CA 3.49Å; I549-K592 WeakPolarHBondContact O-CB 3.49Å; T590-K592 VanDerWaalsContact C-N 3.26Å; T590-K592 PolarHBondContact OG1-N 3.28Å
593L92.3Very high88.7Confident0 Ų042.9 Ų42.90%024%0.243CC..EExtended strand (participates in β ladder)trans-119.4125.6178.6-63.1169.2000111.3E548 I549 L554 I582 L585 E597 F598 L601E548-L593 WeakPolarHBondContact CA-O 3.25Å; I549-L593 HydrophobicContact CB-CB 4.47Å; I549-L593 PolarHBondContact N-O 3.1Å; I549-L593 PolarHBondContact O-N 2.81Å; L554-L593 HydrophobicContact CD2-CD1 4.09Å; I582-L593 HydrophobicContact CG1-CD1 3.97Å; I582-L593 HydrophobicContact CG1-CD2 4.48Å; I582-L593 HydrophobicContact CG1-CG 3.97Å; L585-L593 HydrophobicContact CB-CD2 3.78Å; L585-L593 HydrophobicContact CD1-CD2 4.5Å; L593-E597 WeakPolarHBondContact CA-OE2 3.25Å; L593-E597 HydrophobicContact CB-CB 4.4Å; L593-E597 HydrophobicContact CD2-CB 3.82Å; L593-F598 HydrophobicContact CB-CB 4.25Å; L593-F598 HydrophobicContact CD1-CD2 4.36Å; L593-L601 HydrophobicContact CD1-CD2 3.54Å
594G91.8Very high88.9Confident19 Ų1940.5 Ų40.520%0.19623%0.229CC..  trans-73.6176.6165.400000112.6V596 E597 F598G594-V596 PolarHBondContact O-N 3.21Å; G594-E597 PolarHBondContact N-OE2 3.06Å; G594-E597 PolarHBondContact O-N 3.17Å; G594-F598 VanDerWaalsContact O-CB 3.28Å; G594-F598 WeakPolarHBondContact O-CB 3.43Å; G594-F598 PolarHBondContact O-N 3.49Å
595L90.5Very high89Confident29 Ų2940 Ų4015%0.15223%0.227CC..Hα-helixtrans-56.8-48-176.8172.966.3000113.1E528 I531 F535 K536 F539 K599E528-L595 HydrophobicContact CG-CD2 4.12Å; I531-L595 HydrophobicContact CD1-CD2 4.35Å; I531-L595 HydrophobicContact CD1-CG 3.98Å; I531-L595 HydrophobicContact CG2-CD1 4.44Å; F535-L595 HydrophobicContact CD1-CD1 4.17Å; F535-L595 HydrophobicContact CE1-CD1 4.31Å; K536-L595 HydrophobicContact CD-CD2 4.21Å; K536-L595 HydrophobicContact CG-CD1 4.43Å; K536-L595 HydrophobicContact CG-CD2 3.92Å; F539-L595 HydrophobicContact CB-CD1 3.58Å; F539-L595 HydrophobicContact CD1-CB 4.08Å; F539-L595 HydrophobicContact CD1-CD1 3.68Å; F539-L595 HydrophobicContact CD1-CG 4.45Å; F539-L595 HydrophobicContact CD2-CD1 4.07Å; F539-L595 HydrophobicContact CE1-CB 3.93Å; F539-L595 HydrophobicContact CE1-CD1 4.39Å; F539-L595 HydrophobicContact CG-CB 4.47Å; F539-L595 HydrophobicContact CG-CD1 3.49Å; F539-L595 VanDerWaalsContact CG-CD1 3.49Å; F539-L595 HydrophobicContact CZ-CB 4.19Å; L595-K599 WeakPolarHBondContact O-CB 3.37Å; L595-K599 PolarHBondContact O-N 2.65Å
596V90.7Very high89.1Confident44 Ų4443.5 Ų43.527%0.26724%0.242SC..Hα-helixtrans-68.2-47.6-177.1176.30000110.5I526 E528 I531 G594 F598 K599 I600I526-V596 WeakPolarHBondContact O-CG1 3.46Å; E528-V596 HydrophobicContact CB-CG2 4.02Å; E528-V596 HydrophobicContact CG-CG2 4.27Å; I531-V596 HydrophobicContact CD1-CB 4.49Å; I531-V596 HydrophobicContact CD1-CG2 3.99Å; G594-V596 PolarHBondContact O-N 3.21Å; V596-F598 VanDerWaalsContact C-N 3.35Å; V596-F598 PolarHBondContact O-N 3.12Å; V596-K599 WeakPolarHBondContact O-CB 3.23Å; V596-K599 PolarHBondContact O-N 2.92Å; V596-K599 VanDerWaalsContact O-N 3.1Å; V596-I600 HydrophobicContact CG1-CD1 4.1Å; V596-I600 WeakPolarHBondContact O-CG1 3.02Å; V596-I600 PolarHBondContact O-N 2.91Å
597E92.2Very high89.4Confident29 Ų2946.4 Ų46.414%0.13625%0.254CS..Hα-helixtrans-60.5-44.4178.3-61.5169152.600111.3L585 K587 L593 G594 K599 I600 L601L585-E597 HydrophobicContact CB-CB 4.36Å; L585-E597 VanDerWaalsContact O-OE1 3.08Å; K587-E597 PolarHBondContact N-OE1 3.39Å; L593-E597 WeakPolarHBondContact CA-OE2 3.25Å; L593-E597 HydrophobicContact CB-CB 4.4Å; L593-E597 HydrophobicContact CD2-CB 3.82Å; G594-E597 PolarHBondContact N-OE2 3.06Å; G594-E597 PolarHBondContact O-N 3.17Å; E597-K599 VanDerWaalsContact C-N 3.31Å; E597-K599 PolarHBondContact O-N 3.44Å; E597-I600 PolarHBondContact O-N 3.29Å; E597-L601 PolarHBondContact O-N 3.23Å
598F92.2Very high90.4Very high4 Ų438.2 Ų38.22%0.01822%0.218CC..Hα-helixtrans-63.5-36.3175.5-178.2-106.4000112.3F535 F539 I549 L554 I557 L593 G594 V596 L601 W602F535-F598 AromaticContact CE1-CD1 3.95Å; F535-F598 HydrophobicContact CE1-CD1 3.95Å; F535-F598 HydrophobicContact CE1-CE1 4.37Å; F535-F598 AromaticContact CZ-CD1 3.69Å; F535-F598 HydrophobicContact CZ-CD1 3.69Å; F535-F598 AromaticContact CZ-CE1 3.78Å; F535-F598 HydrophobicContact CZ-CE1 3.78Å; F539-F598 HydrophobicContact CD2-CB 4.1Å; F539-F598 AromaticContact CD2-CD1 3.61Å; F539-F598 HydrophobicContact CD2-CD1 3.61Å; F539-F598 HydrophobicContact CD2-CE1 4.34Å; F539-F598 HydrophobicContact CD2-CG 4.05Å; F539-F598 HydrophobicContact CE2-CB 3.78Å; F539-F598 HydrophobicContact CE2-CD1 4.12Å; F539-F598 HydrophobicContact CE2-CG 4.07Å; I549-F598 HydrophobicContact CD1-CB 4.38Å; I549-F598 HydrophobicContact CD1-CD1 3.95Å; I549-F598 HydrophobicContact CD1-CD2 3.56Å; I549-F598 HydrophobicContact CD1-CE1 4.07Å; I549-F598 HydrophobicContact CD1-CE2 3.71Å; I549-F598 HydrophobicContact CD1-CG 3.68Å; I549-F598 HydrophobicContact CD1-CZ 3.95Å; L554-F598 HydrophobicContact CD1-CD2 4.23Å; L554-F598 HydrophobicContact CD1-CE2 3.77Å; I557-F598 HydrophobicContact CG2-CZ 4.32Å; L593-F598 HydrophobicContact CB-CB 4.25Å; L593-F598 HydrophobicContact CD1-CD2 4.36Å; G594-F598 VanDerWaalsContact O-CB 3.28Å; G594-F598 WeakPolarHBondContact O-CB 3.43Å; G594-F598 PolarHBondContact O-N 3.49Å; V596-F598 VanDerWaalsContact C-N 3.35Å; V596-F598 PolarHBondContact O-N 3.12Å; F598-L601 PolarHBondContact O-N 2.86Å; F598-W602 HydrophobicContact CE1-CE3 4.34Å; F598-W602 HydrophobicContact CE2-CE3 4.46Å; F598-W602 AromaticContact CZ-CE3 3.8Å; F598-W602 HydrophobicContact CZ-CE3 3.8Å; F598-W602 HydrophobicContact CZ-CZ3 4.24Å; F598-W602 WeakPolarHBondContact O-CB 3.45Å; F598-W602 PolarHBondContact O-N 3.12Å
599K92.1Very high90.9Very high43 Ų4334.4 Ų34.419%0.18720%0.198CC..Hα-helixtrans-66.3-41.9176179.256.6-172.8147.60111.7I526 I531 F535 L595 V596 E597 W602 T603I526-K599 HydrophobicContact CD1-CG 3.83Å; I526-K599 HydrophobicContact CG2-CG 4.2Å; I531-K599 HydrophobicContact CD1-CB 3.94Å; I531-K599 HydrophobicContact CD1-CG 4.16Å; I531-K599 HydrophobicContact CG1-CB 4.48Å; I531-K599 HydrophobicContact CG1-CG 4.16Å; F535-K599 HydrophobicContact CD1-CB 4.4Å; F535-K599 HydrophobicContact CD1-CD 3.99Å; F535-K599 HydrophobicContact CD2-CD 4.08Å; F535-K599 HydrophobicContact CE1-CB 3.7Å; F535-K599 HydrophobicContact CE1-CD 3.7Å; F535-K599 HydrophobicContact CE1-CG 4.18Å; F535-K599 HydrophobicContact CE2-CD 3.79Å; F535-K599 HydrophobicContact CG-CD 4.18Å; F535-K599 HydrophobicContact CZ-CB 4.09Å; F535-K599 HydrophobicContact CZ-CD 3.59Å; F535-K599 HydrophobicContact CZ-CG 4.42Å; L595-K599 WeakPolarHBondContact O-CB 3.37Å; L595-K599 PolarHBondContact O-N 2.65Å; V596-K599 WeakPolarHBondContact O-CB 3.23Å; V596-K599 PolarHBondContact O-N 2.92Å; V596-K599 VanDerWaalsContact O-N 3.1Å; E597-K599 VanDerWaalsContact C-N 3.31Å; E597-K599 PolarHBondContact O-N 3.44Å; K599-W602 PolarHBondContact O-N 2.94Å; K599-T603 PolarHBondContact NZ-OG1 3.39Å; K599-T603 VanDerWaalsContact NZ-OG1 3.08Å; K599-T603 PolarHBondContact O-N 3.49Å; K599-T603 VanDerWaalsContact O-N 3.08Å; K599-T603 PolarHBondContact O-OG1 2.9Å
600I92.3Very high91.4Very high18 Ų1836.5 Ų36.59%0.09219%0.194CC..Hα-helixtrans-60.1-49173.9-67.2167.5000109.9I524 I526 L585 V596 E597 W602 T603 K604I524-I600 HydrophobicContact CB-CG2 4.17Å; I524-I600 HydrophobicContact CG2-CG1 4.35Å; I524-I600 HydrophobicContact CG2-CG2 4.26Å; I526-I600 HydrophobicContact CB-CG1 4.19Å; I526-I600 HydrophobicContact CD1-CG1 3.96Å; I526-I600 HydrophobicContact CG1-CG1 4.16Å; L585-I600 HydrophobicContact CD2-CG2 3.8Å; V596-I600 HydrophobicContact CG1-CD1 4.1Å; V596-I600 WeakPolarHBondContact O-CG1 3.02Å; V596-I600 PolarHBondContact O-N 2.91Å; E597-I600 PolarHBondContact O-N 3.29Å; I600-W602 VanDerWaalsContact C-N 3.32Å; I600-W602 PolarHBondContact O-N 3.3Å; I600-T603 PolarHBondContact O-N 2.63Å; I600-K604 HydrophobicContact CG2-CD 4.5Å; I600-K604 PolarHBondContact O-N 3.02Å
601L93.2Very high91.7Very high1 Ų134.5 Ų34.51%0.00518%0.181CC..Hα-helixtrans-55.8-48.8177.5-175.955.6000111.5L554 M581 L585 L593 E597 F598 T603 K604 I605L554-L601 HydrophobicContact CD1-CD2 3.81Å; L554-L601 HydrophobicContact CD2-CD2 3.79Å; L554-L601 HydrophobicContact CG-CD2 4.45Å; M581-L601 HydrophobicContact CB-CD1 3.83Å; M581-L601 HydrophobicContact CB-CD2 3.99Å; M581-L601 HydrophobicContact CG-CD1 3.88Å; M581-L601 HydrophobicContact SD-CD1 4.11Å; M581-L601 HydrophobicContact SD-CD2 4.2Å; L585-L601 HydrophobicContact CD1-CB 3.39Å; L585-L601 HydrophobicContact CD1-CD1 3.83Å; L585-L601 HydrophobicContact CD1-CD2 4.49Å; L585-L601 HydrophobicContact CD1-CG 4.06Å; L593-L601 HydrophobicContact CD1-CD2 3.54Å; E597-L601 PolarHBondContact O-N 3.23Å; F598-L601 PolarHBondContact O-N 2.86Å; L601-T603 VanDerWaalsContact C-N 3.32Å; L601-T603 PolarHBondContact O-N 2.78Å; L601-K604 WeakPolarHBondContact O-CB 3.26Å; L601-K604 PolarHBondContact O-N 3.19Å; L601-I605 HydrophobicContact CD1-CD1 4.03Å; L601-I605 HydrophobicContact CD1-CG1 4.24Å; L601-I605 HydrophobicContact CD2-CD1 4.48Å; L601-I605 HydrophobicContact CG-CD1 3.88Å; L601-I605 HydrophobicContact CG-CG1 4.45Å; L601-I605 WeakPolarHBondContact O-CG1 3.24Å; L601-I605 PolarHBondContact O-N 2.84Å
602W91.6Very high91.8Very high54 Ų5433 Ų3321%0.20517%0.165CC..Hα-helixtrans-59.2-45.2-178-170.5-86.6000111.5F535 I557 L558 V561 F598 K599 I600 I605 E606F535-W602 HydrophobicContact CE2-CB 4.48Å; F535-W602 HydrophobicContact CE2-CG 4.2Å; F535-W602 HydrophobicContact CZ-CB 4.31Å; F535-W602 HydrophobicContact CZ-CG 4.47Å; I557-W602 HydrophobicContact CG2-CZ3 4.2Å; L558-W602 HydrophobicContact CD2-CE3 4.31Å; L558-W602 HydrophobicContact CD2-CZ3 3.97Å; V561-W602 HydrophobicContact CG2-CH2 3.9Å; F598-W602 HydrophobicContact CE1-CE3 4.34Å; F598-W602 HydrophobicContact CE2-CE3 4.46Å; F598-W602 AromaticContact CZ-CE3 3.8Å; F598-W602 HydrophobicContact CZ-CE3 3.8Å; F598-W602 HydrophobicContact CZ-CZ3 4.24Å; F598-W602 WeakPolarHBondContact O-CB 3.45Å; F598-W602 PolarHBondContact O-N 3.12Å; K599-W602 PolarHBondContact O-N 2.94Å; I600-W602 VanDerWaalsContact C-N 3.32Å; I600-W602 PolarHBondContact O-N 3.3Å; W602-I605 PolarHBondContact O-N 2.79Å; W602-E606 VanDerWaalsContact CD1-CD 3.45Å; W602-E606 VanDerWaalsContact NE1-CD 3.32Å; W602-E606 PolarHBondContact NE1-OE1 2.92Å; W602-E606 WeakPolarHBondContact O-CG 3.44Å; W602-E606 PolarHBondContact O-N 2.87Å
603T92.3Very high91.6Very high30 Ų3033.4 Ų33.418%0.18417%0.166CC..Hα-helixtrans-67.8-34.2177.9-68.30000112.4I524 K599 I600 L601 E606 K607I524-T603 HydrophobicContact CD1-CG2 4.01Å; K599-T603 PolarHBondContact NZ-OG1 3.39Å; K599-T603 VanDerWaalsContact NZ-OG1 3.08Å; K599-T603 PolarHBondContact O-N 3.49Å; K599-T603 VanDerWaalsContact O-N 3.08Å; K599-T603 PolarHBondContact O-OG1 2.9Å; I600-T603 PolarHBondContact O-N 2.63Å; L601-T603 VanDerWaalsContact C-N 3.32Å; L601-T603 PolarHBondContact O-N 2.78Å; T603-E606 PolarHBondContact O-N 2.75Å; T603-K607 PolarHBondContact O-N 2.77Å; T603-K607 VanDerWaalsContact O-N 3.08Å
604K93.3Very high91.4Very high12 Ų1236.5 Ų36.55%0.05219%0.188CC..Hα-helixtrans-62.4-46.6169.9-74-176.6172.1-83.30111.8I524 I600 L601 E606 K607 F608 E671I524-K604 HydrophobicContact CD1-CG 3.62Å; I600-K604 HydrophobicContact CG2-CD 4.5Å; I600-K604 PolarHBondContact O-N 3.02Å; L601-K604 WeakPolarHBondContact O-CB 3.26Å; L601-K604 PolarHBondContact O-N 3.19Å; K604-E606 VanDerWaalsContact C-N 3.31Å; K604-E606 PolarHBondContact O-N 2.91Å; K604-K607 PolarHBondContact O-N 2.84Å; K604-F608 HydrophobicContact CB-CE2 4.26Å; K604-F608 WeakPolarHBondContact O-CD2 3.44Å; K604-F608 VanDerWaalsContact O-CG 3.27Å; K604-F608 WeakPolarHBondContact O-CG 3.44Å; K604-F608 PolarHBondContact O-N 3.38Å; K604-E671 IonicContact NZ-OE1 3.65Å; K604-E671 PolarHBondContact NZ-OE1 3.43Å; K604-E671 IonicContact NZ-OE2 3.72Å; K604-E671 PolarHBondContact NZ-OE2 2.87Å
605I92.3Very high91.1Very high14 Ų1439.1 Ų39.17%0.07219%0.192CC..Hα-helixtrans-62.7-38.5179.2-67.3172.3000111.1L558 M581 L601 W602 F608 L609 F660L558-I605 HydrophobicContact CD1-CD1 3.86Å; L558-I605 HydrophobicContact CD2-CD1 3.66Å; L558-I605 HydrophobicContact CG-CD1 4.43Å; M581-I605 HydrophobicContact CE-CD1 4.01Å; M581-I605 HydrophobicContact CE-CG1 4.46Å; M581-I605 HydrophobicContact SD-CD1 4.03Å; L601-I605 HydrophobicContact CD1-CD1 4.03Å; L601-I605 HydrophobicContact CD1-CG1 4.24Å; L601-I605 HydrophobicContact CD2-CD1 4.48Å; L601-I605 HydrophobicContact CG-CD1 3.88Å; L601-I605 HydrophobicContact CG-CG1 4.45Å; L601-I605 WeakPolarHBondContact O-CG1 3.24Å; L601-I605 PolarHBondContact O-N 2.84Å; W602-I605 PolarHBondContact O-N 2.79Å; I605-F608 PolarHBondContact O-N 2.88Å; I605-L609 VanDerWaalsContact O-CB 3.28Å; I605-L609 WeakPolarHBondContact O-CB 3.38Å; I605-L609 PolarHBondContact O-N 3.32Å; I605-F660 HydrophobicContact CG2-CZ 4.49Å
606E91Very high90.7Very high89 Ų8938.5 Ų38.542%0.41619%0.189SC..Hα-helixtrans-61-48.3173.4-74.4175.4155.300111.5W602 T603 K604 F608 L609 D610W602-E606 VanDerWaalsContact CD1-CD 3.45Å; W602-E606 VanDerWaalsContact NE1-CD 3.32Å; W602-E606 PolarHBondContact NE1-OE1 2.92Å; W602-E606 WeakPolarHBondContact O-CG 3.44Å; W602-E606 PolarHBondContact O-N 2.87Å; T603-E606 PolarHBondContact O-N 2.75Å; K604-E606 VanDerWaalsContact C-N 3.31Å; K604-E606 PolarHBondContact O-N 2.91Å; E606-F608 PolarHBondContact O-N 2.76Å; E606-L609 WeakPolarHBondContact O-CB 3.33Å; E606-L609 PolarHBondContact O-N 2.69Å; E606-D610 PolarHBondContact O-N 2.75Å
607K92.6Very high89.9Confident87 Ų8741.9 Ų41.938%0.37821%0.209SC..Hα-helixtrans-58.6-45.7175.1-76.4-176166.2-171.60112E522 I524 T603 K604 L609 D610 L611E522-K607 IonicContact OE2-NZ 3.97Å; E522-K607 PolarHBondContact OE2-NZ 2.76Å; I524-K607 HydrophobicContact CD1-CD 4.28Å; T603-K607 PolarHBondContact O-N 2.77Å; T603-K607 VanDerWaalsContact O-N 3.08Å; K604-K607 PolarHBondContact O-N 2.84Å; K607-L609 VanDerWaalsContact C-N 3.3Å; K607-L609 PolarHBondContact O-N 3.35Å; K607-D610 PolarHBondContact O-N 2.9Å; K607-L611 WeakPolarHBondContact O-CB 3.25Å; K607-L611 PolarHBondContact O-N 2.8Å
608F93.2Very high89.1Confident14 Ų1445.6 Ų45.66%0.06123%0.23CC..Hα-helixtrans-64.4-35.9177.9-65.9-23.7000112.3K604 I605 E606 F612 F663 V664 L667 I668K604-F608 HydrophobicContact CB-CE2 4.26Å; K604-F608 WeakPolarHBondContact O-CD2 3.44Å; K604-F608 VanDerWaalsContact O-CG 3.27Å; K604-F608 WeakPolarHBondContact O-CG 3.44Å; K604-F608 PolarHBondContact O-N 3.38Å; I605-F608 PolarHBondContact O-N 2.88Å; E606-F608 PolarHBondContact O-N 2.76Å; F608-F612 VanDerWaalsContact O-CB 3.28Å; F608-F612 WeakPolarHBondContact O-CB 3.48Å; F608-F612 PolarHBondContact O-N 2.79Å; F608-F663 HydrophobicContact CB-CE1 4.05Å; F608-V664 HydrophobicContact CB-CG2 4.2Å; F608-V664 HydrophobicContact CD2-CG1 4.06Å; F608-V664 HydrophobicContact CD2-CG2 4.24Å; F608-V664 HydrophobicContact CE2-CG1 4.49Å; F608-L667 HydrophobicContact CD1-CD1 3.61Å; F608-L667 HydrophobicContact CE1-CB 4.26Å; F608-L667 HydrophobicContact CE1-CD1 3.6Å; F608-L667 HydrophobicContact CE2-CB 4.25Å; F608-L667 HydrophobicContact CG-CD1 4.14Å; F608-L667 HydrophobicContact CZ-CB 3.93Å; F608-L667 HydrophobicContact CZ-CD1 4.09Å; F608-I668 HydrophobicContact CE2-CD1 3.88Å; F608-I668 HydrophobicContact CE2-CG1 4.13Å
609L90.6Very high88.5Confident20 Ų2053.6 Ų53.611%0.10527%0.267CS..Hα-helixtrans-66.7-44.7176.7-179.458.7000112R565 I568 I605 E606 K607 L611 F612 K613 F660R565-L609 VanDerWaalsContact NH1-CD2 3.32Å; I568-L609 HydrophobicContact CD1-CD1 3.33Å; I568-L609 HydrophobicContact CG1-CD1 4.19Å; I605-L609 VanDerWaalsContact O-CB 3.28Å; I605-L609 WeakPolarHBondContact O-CB 3.38Å; I605-L609 PolarHBondContact O-N 3.32Å; E606-L609 WeakPolarHBondContact O-CB 3.33Å; E606-L609 PolarHBondContact O-N 2.69Å; K607-L609 VanDerWaalsContact C-N 3.3Å; K607-L609 PolarHBondContact O-N 3.35Å; L609-L611 VanDerWaalsContact C-N 3.32Å; L609-F612 PolarHBondContact O-N 3.17Å; L609-K613 HydrophobicContact CD1-CD 4.34Å; L609-K613 HydrophobicContact CD1-CG 4.44Å; L609-K613 HydrophobicContact CG-CD 4.31Å; L609-K613 VanDerWaalsContact O-CG 3.28Å; L609-K613 WeakPolarHBondContact O-CG 3.24Å; L609-K613 PolarHBondContact O-N 3.25Å; L609-K613 VanDerWaalsContact O-N 3.1Å; L609-F660 HydrophobicContact CB-CE2 4.16Å; L609-F660 HydrophobicContact CB-CZ 3.8Å; L609-F660 HydrophobicContact CD1-CD2 4.43Å; L609-F660 HydrophobicContact CD1-CE1 4.25Å; L609-F660 HydrophobicContact CD1-CE2 3.92Å; L609-F660 HydrophobicContact CD1-CZ 3.81Å; L609-F660 HydrophobicContact CG-CZ 4.38Å
610D90.8Very high88Confident107 Ų10753.1 Ų53.157%0.57227%0.27SS*.Hα-helixtrans-63.3-42.5177.5-70.9-20.8000110.9E606 K607 K613 S614E606-D610 PolarHBondContact O-N 2.75Å; K607-D610 PolarHBondContact O-N 2.9Å; D610-K613 PolarHBondContact O-N 2.98Å; D610-S614 WeakPolarHBondContact O-CB 3.16Å; D610-S614 PolarHBondContact O-N 2.86Å
611L91.7Very high87.5Confident21 Ų2152.4 Ų52.411%0.1127%0.267CS..Hα-helixtrans-60.3-51.3174.5178.858000112K607 L609 K613 S614 R615 A631 E634 A635 F663K607-L611 WeakPolarHBondContact O-CB 3.25Å; K607-L611 PolarHBondContact O-N 2.8Å; L609-L611 VanDerWaalsContact C-N 3.32Å; L611-K613 VanDerWaalsContact C-N 3.27Å; L611-K613 PolarHBondContact O-N 3.17Å; L611-S614 PolarHBondContact O-N 3.2Å; L611-S614 VanDerWaalsContact O-N 3.17Å; L611-S614 PolarHBondContact O-OG 3.14Å; L611-R615 HydrophobicContact CD1-CG 4.16Å; L611-R615 WeakPolarHBondContact O-CG 3.2Å; L611-R615 PolarHBondContact O-N 2.69Å; L611-A631 WeakPolarHBondContact CD2-O 3.29Å; L611-A631 HydrophobicContact CG-CB 4.43Å; L611-E634 HydrophobicContact CD1-CB 3.79Å; L611-E634 WeakPolarHBondContact CD1-OE2 3.25Å; L611-A635 HydrophobicContact CD2-CB 3.88Å; L611-F663 HydrophobicContact CD2-CZ 4.02Å; L611-F663 HydrophobicContact CG-CZ 4.28Å
612F89.8Confident87.1Confident1 Ų153.3 Ų53.30%0.00427%0.273CS..Hα-helixtrans-53.5-46.3179.1-172.5-88.4000111.4F608 L609 R615 D616 M623 F660 F663F608-F612 VanDerWaalsContact O-CB 3.28Å; F608-F612 WeakPolarHBondContact O-CB 3.48Å; F608-F612 PolarHBondContact O-N 2.79Å; L609-F612 PolarHBondContact O-N 3.17Å; F612-R615 PolarHBondContact O-N 3.39Å; F612-D616 PolarHBondContact O-N 2.87Å; F612-M623 HydrophobicContact CB-CE 4.38Å; F612-M623 HydrophobicContact CD2-CB 4.42Å; F612-M623 HydrophobicContact CD2-CE 3.6Å; F612-M623 HydrophobicContact CE2-CB 3.77Å; F612-M623 HydrophobicContact CE2-CE 4.13Å; F612-M623 HydrophobicContact CG-CE 4.11Å; F612-M623 HydrophobicContact CZ-CB 4.19Å; F612-F660 HydrophobicContact CB-CD2 3.97Å; F612-F660 HydrophobicContact CB-CE2 4.05Å; F612-F660 HydrophobicContact CD1-CD2 4.16Å; F612-F660 AromaticContact CD2-CD2 3.82Å; F612-F660 HydrophobicContact CD2-CD2 3.82Å; F612-F660 HydrophobicContact CE2-CB 4.35Å; F612-F660 HydrophobicContact CE2-CD2 4.31Å; F612-F660 AromaticContact CG-CD2 3.72Å; F612-F660 HydrophobicContact CG-CD2 3.72Å; F612-F660 HydrophobicContact CG-CE2 4.31Å; F612-F660 HydrophobicContact CZ-CB 4.26Å; F612-F663 HydrophobicContact CB-CD1 4.28Å; F612-F663 HydrophobicContact CB-CE1 4.13Å; F612-F663 HydrophobicContact CD2-CB 3.96Å; F612-F663 AromaticContact CD2-CD1 3.69Å; F612-F663 HydrophobicContact CD2-CD1 3.69Å; F612-F663 HydrophobicContact CD2-CD2 4.3Å; F612-F663 HydrophobicContact CD2-CE1 4.24Å; F612-F663 AromaticContact CD2-CG 3.72Å; F612-F663 HydrophobicContact CD2-CG 3.72Å; F612-F663 HydrophobicContact CE2-CB 4Å; F612-F663 HydrophobicContact CE2-CG 4.24Å; F612-F663 HydrophobicContact CG-CD1 4.44Å
613K87.5Confident86.9Confident65 Ų6550.8 Ų50.828%0.28326%0.264SS..Hα-helixtrans-68.7-39.2179.1-71.3170.8174.4-162.60114.2R565 D567 L609 D610 L611 R615 D616R565-K613 VanDerWaalsContact CZ-NZ 3.34Å; D567-K613 WeakPolarHBondContact OD2-CE 3.3Å; D567-K613 IonicContact OD2-NZ 3.26Å; D567-K613 PolarHBondContact OD2-NZ 2.97Å; L609-K613 HydrophobicContact CD1-CD 4.34Å; L609-K613 HydrophobicContact CD1-CG 4.44Å; L609-K613 HydrophobicContact CG-CD 4.31Å; L609-K613 VanDerWaalsContact O-CG 3.28Å; L609-K613 WeakPolarHBondContact O-CG 3.24Å; L609-K613 PolarHBondContact O-N 3.25Å; L609-K613 VanDerWaalsContact O-N 3.1Å; D610-K613 PolarHBondContact O-N 2.98Å; L611-K613 VanDerWaalsContact C-N 3.27Å; L611-K613 PolarHBondContact O-N 3.17Å; K613-R615 PolarHBondContact O-N 2.71Å; K613-D616 PolarHBondContact O-N 2.67Å
614S88.2Confident86.6Confident65 Ų6551.3 Ų51.346%0.45527%0.268SS..Hα-helixtrans-63-22178.173.80000112.2D610 L611D610-S614 WeakPolarHBondContact O-CB 3.16Å; D610-S614 PolarHBondContact O-N 2.86Å; L611-S614 PolarHBondContact O-N 3.2Å; L611-S614 VanDerWaalsContact O-N 3.17Å; L611-S614 PolarHBondContact O-OG 3.14Å
615R85.3Confident86Confident75 Ų7551.3 Ų51.328%0.28327%0.27SS..Hα-helixtrans-106.8-14.3-176.4-61.2-65.5155.7-158.6-9.5114.1L611 F612 K613 V617 M623 E627 A631 E634L611-R615 HydrophobicContact CD1-CG 4.16Å; L611-R615 WeakPolarHBondContact O-CG 3.2Å; L611-R615 PolarHBondContact O-N 2.69Å; F612-R615 PolarHBondContact O-N 3.39Å; K613-R615 PolarHBondContact O-N 2.71Å; R615-V617 PolarHBondContact O-N 2.96Å; R615-M623 HydrophobicContact CB-CE 3.99Å; R615-E627 WeakPolarHBondContact O-CG 3.48Å; R615-A631 HydrophobicContact CG-CB 4.38Å; R615-E634 VanDerWaalsContact CZ-CD 3.41Å; R615-E634 IonicContact CZ-OE1 3.87Å; R615-E634 IonicContact CZ-OE2 2.7Å; R615-E634 IonicContact NE-OE1 2.8Å; R615-E634 PolarHBondContact NE-OE1 3.04Å; R615-E634 IonicContact NE-OE2 2.74Å; R615-E634 PolarHBondContact NE-OE2 2.93Å; R615-E634 IonicContact NH1-OE1 2.83Å; R615-E634 IonicContact NH2-OE1 3.24Å; R615-E634 PolarHBondContact NH2-OE1 2.98Å; R615-E634 IonicContact NH2-OE2 3.82Å; R615-E634 PolarHBondContact NH2-OE2 2.75Å
616D81.9Confident85.4Confident15 Ų1552.8 Ų52.88%0.0828%0.281CS..  trans-74.168.6167.5-177.614.4000110.1F612 K613 D618 Q619 S620 G621F612-D616 PolarHBondContact O-N 2.87Å; K613-D616 PolarHBondContact O-N 2.67Å; D616-D618 VanDerWaalsContact C-N 3.26Å; D616-D618 PolarHBondContact O-N 2.72Å; D616-Q619 PolarHBondContact O-N 3.23Å; D616-Q619 WeakPolarHBondContact OD1-CA 3.43Å; D616-Q619 PolarHBondContact OD1-N 3.48Å; D616-Q619 VanDerWaalsContact OD1-N 3.12Å; D616-S620 PolarHBondContact OD1-N 3.36Å; D616-S620 PolarHBondContact OD1-OG 3.26Å; D616-G621 WeakPolarHBondContact OD2-CA 3.4Å; D616-G621 PolarHBondContact OD2-N 3.03Å
617V73.4Confident85.1Confident115 Ų11550 Ų5070%0.69727%0.269SS*.THydrogen-bonded Turntrans-66.7-32.2-172.91780000111.1R615 Q619R615-V617 PolarHBondContact O-N 2.96Å; V617-Q619 VanDerWaalsContact C-N 3.29Å
618D76.6Confident84.9Confident107 Ų10746 Ų4657%0.57225%0.251SS*.THydrogen-bonded Turntrans-84.6-1.8179.373.5-5000113.7D616 S620D616-D618 VanDerWaalsContact C-N 3.26Å; D616-D618 PolarHBondContact O-N 2.72Å; D618-S620 PolarHBondContact O-N 3.21Å; D618-S620 WeakPolarHBondContact OD1-CB 3.49Å; D618-S620 PolarHBondContact OD1-N 3.07Å; D618-S620 PolarHBondContact OD1-OG 3.04Å
619Q79.3Confident84.6Confident172 Ų17245.6 Ų45.680%0.80425%0.249SC*.  trans53.931.8-178.2-57.5-179.9-2.500112D616 V617 G621D616-Q619 PolarHBondContact O-N 3.23Å; D616-Q619 WeakPolarHBondContact OD1-CA 3.43Å; D616-Q619 PolarHBondContact OD1-N 3.48Å; D616-Q619 VanDerWaalsContact OD1-N 3.12Å; V617-Q619 VanDerWaalsContact C-N 3.29Å; Q619-G621 PolarHBondContact O-N 3.25Å
620S81.4Confident84.4Confident33 Ų3346.6 Ų46.623%0.23126%0.256CS..  trans-70.4-19179.566.40000111.6K569 D616 D618 C622K569-S620 WeakPolarHBondContact CD-O 3.28Å; K569-S620 WeakPolarHBondContact CE-O 3.41Å; K569-S620 PolarHBondContact NZ-O 2.88Å; D616-S620 PolarHBondContact OD1-N 3.36Å; D616-S620 PolarHBondContact OD1-OG 3.26Å; D618-S620 PolarHBondContact O-N 3.21Å; D618-S620 WeakPolarHBondContact OD1-CB 3.49Å; D618-S620 PolarHBondContact OD1-N 3.07Å; D618-S620 PolarHBondContact OD1-OG 3.04Å; S620-C622 PolarHBondContact OG-N 3.1Å; S620-C622 PolarHBondContact OG-O 2.57Å
621G81.7Confident84.4Confident4 Ų441.5 Ų41.54%0.04123%0.229CC..SBendtrans78.85.9-170.900000112.9K569 D616 Q619K569-G621 PolarHBondContact N-O 3.44Å; D616-G621 WeakPolarHBondContact OD2-CA 3.4Å; D616-G621 PolarHBondContact OD2-N 3.03Å; Q619-G621 PolarHBondContact O-N 3.25Å
622C85.5Confident84.4Confident20 Ų2040.5 Ų40.514%0.13522%0.224CC..SBendtrans-132.3164.4177-65.70000109.2S620S620-C622 PolarHBondContact OG-N 3.1Å; S620-C622 PolarHBondContact OG-O 2.57Å
623M87.1Confident84.4Confident1 Ų143.5 Ų43.51%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-107.9132.6177-172173.3-74.500110.4F612 R615 E627 M628 A631 T657 I658 F663F612-M623 HydrophobicContact CB-CE 4.38Å; F612-M623 HydrophobicContact CD2-CB 4.42Å; F612-M623 HydrophobicContact CD2-CE 3.6Å; F612-M623 HydrophobicContact CE2-CB 3.77Å; F612-M623 HydrophobicContact CE2-CE 4.13Å; F612-M623 HydrophobicContact CG-CE 4.11Å; F612-M623 HydrophobicContact CZ-CB 4.19Å; R615-M623 HydrophobicContact CB-CE 3.99Å; M623-E627 HydrophobicContact CG-CB 3.53Å; M623-E627 HydrophobicContact SD-CB 4.34Å; M623-M628 HydrophobicContact CG-CB 4.41Å; M623-M628 VanDerWaalsContact SD-CA 3.51Å; M623-M628 HydrophobicContact SD-CB 4.03Å; M623-M628 HydrophobicContact SD-SD 3.99Å; M623-A631 HydrophobicContact CE-CB 3.86Å; M623-A631 HydrophobicContact SD-CB 3.8Å; M623-T657 CarbonylContact O-C 3.59Å; M623-T657 WeakPolarHBondContact O-CA 3.49Å; M623-I658 HydrophobicContact CB-CB 4.43Å; M623-I658 PolarHBondContact N-O 3.06Å; M623-I658 PolarHBondContact O-N 2.75Å; M623-F663 HydrophobicContact CE-CD2 4.22Å; M623-F663 HydrophobicContact CE-CE2 4.03Å; M623-F663 HydrophobicContact CE-CZ 4.43Å; M623-F663 HydrophobicContact SD-CD2 3.91Å; M623-F663 HydrophobicContact SD-CE2 3.96Å
624S85.6Confident84.6Confident40 Ų4045 Ų4528%0.2825%0.246SC..EExtended strand (participates in β ladder)trans-72.9159.2167.969.30000111.2S626 E627 M628S624-S626 PolarHBondContact O-N 2.86Å; S624-E627 VanDerWaalsContact CB-OE2 3.28Å; S624-E627 WeakPolarHBondContact CB-OE2 3.37Å; S624-E627 PolarHBondContact N-OE2 3.1Å; S624-E627 PolarHBondContact O-N 3.25Å; S624-E627 VanDerWaalsContact O-N 3.16Å; S624-E627 VanDerWaalsContact OG-CG 3.3Å; S624-E627 WeakPolarHBondContact OG-CG 3.47Å; S624-E627 PolarHBondContact OG-N 2.88Å; S624-E627 PolarHBondContact OG-OE2 3.09Å; S624-M628 PolarHBondContact O-N 2.97Å
625S80.4Confident84.8Confident12 Ų1242.8 Ų42.88%0.08423%0.231CC..Hα-helixtrans-59.5-32.3176.561.40000114.1G368 M628 R629 L656G368-S625 WeakPolarHBondContact CA-OG 3.06Å; G368-S625 WeakPolarHBondContact O-CB 3.32Å; G368-S625 PolarHBondContact O-OG 2.85Å; S625-M628 WeakPolarHBondContact O-CB 3.32Å; S625-M628 PolarHBondContact O-N 3.12Å; S625-R629 PolarHBondContact O-N 2.56Å; S625-L656 PolarHBondContact N-O 2.85Å
626S79.4Confident85.2Confident45 Ų4540 Ų4032%0.31523%0.226SC..Hα-helixtrans-70.2-40.5175.3-610000111.8S624 M628 R629S624-S626 PolarHBondContact O-N 2.86Å; S626-M628 VanDerWaalsContact C-N 3.31Å; S626-R629 PolarHBondContact O-N 2.93Å
627E85.7Confident85.8Confident32 Ų3239.5 Ų39.515%0.1522%0.223CC..Hα-helixtrans-66.2-36.5174.1-71.8158.5158.200110.9R615 M623 S624 R629 V630 A631R615-E627 WeakPolarHBondContact O-CG 3.48Å; M623-E627 HydrophobicContact CG-CB 3.53Å; M623-E627 HydrophobicContact SD-CB 4.34Å; S624-E627 VanDerWaalsContact CB-OE2 3.28Å; S624-E627 WeakPolarHBondContact CB-OE2 3.37Å; S624-E627 PolarHBondContact N-OE2 3.1Å; S624-E627 PolarHBondContact O-N 3.25Å; S624-E627 VanDerWaalsContact O-N 3.16Å; S624-E627 VanDerWaalsContact OG-CG 3.3Å; S624-E627 WeakPolarHBondContact OG-CG 3.47Å; S624-E627 PolarHBondContact OG-N 2.88Å; S624-E627 PolarHBondContact OG-OE2 3.09Å; E627-R629 VanDerWaalsContact C-N 3.3Å; E627-R629 PolarHBondContact O-N 3.06Å; E627-V630 PolarHBondContact O-N 3.21Å; E627-A631 WeakPolarHBondContact O-CB 3.3Å; E627-A631 PolarHBondContact O-N 3.05Å
628M87.9Confident86.7Confident1 Ų135.2 Ų35.21%0.00520%0.198CC..Hα-helixtrans-58.9-40175.2-177.162.4175.900112.5M623 S624 S625 S626 V630 A631 V632 I647 I658 F663 C666M623-M628 HydrophobicContact CG-CB 4.41Å; M623-M628 VanDerWaalsContact SD-CA 3.51Å; M623-M628 HydrophobicContact SD-CB 4.03Å; M623-M628 HydrophobicContact SD-SD 3.99Å; S624-M628 PolarHBondContact O-N 2.97Å; S625-M628 WeakPolarHBondContact O-CB 3.32Å; S625-M628 PolarHBondContact O-N 3.12Å; S626-M628 VanDerWaalsContact C-N 3.31Å; M628-V630 PolarHBondContact O-N 3.12Å; M628-A631 PolarHBondContact O-N 3.29Å; M628-V632 HydrophobicContact CE-CG2 3.66Å; M628-V632 HydrophobicContact CG-CG2 4.29Å; M628-V632 WeakPolarHBondContact O-CB 3.2Å; M628-V632 VanDerWaalsContact O-CG2 3.22Å; M628-V632 WeakPolarHBondContact O-CG2 3.46Å; M628-V632 PolarHBondContact O-N 3.03Å; M628-V632 HydrophobicContact SD-CG2 4.02Å; M628-I647 HydrophobicContact CE-CG2 3.65Å; M628-I647 HydrophobicContact CG-CG2 4.15Å; M628-I658 HydrophobicContact CB-CD1 3.73Å; M628-I658 HydrophobicContact CG-CD1 3.58Å; M628-I658 HydrophobicContact SD-CD1 4.12Å; M628-F663 HydrophobicContact CE-CD2 4.07Å; M628-F663 HydrophobicContact CE-CE2 4.49Å; M628-F663 HydrophobicContact SD-CD2 3.51Å; M628-F663 VanDerWaalsContact SD-CD2 3.51Å; M628-F663 HydrophobicContact SD-CE2 3.84Å; M628-C666 HydrophobicContact CE-CB 3.88Å; M628-C666 VanDerWaalsContact CE-SG 3.58Å
629R87.2Confident87.4Confident7 Ų730.2 Ų30.23%0.02617%0.171CC..Hα-helixtrans-58.4-49176.7-175.6165.1-155.1165.35.1111.6D514 S625 S626 E627 V632 E633 N641D514-R629 IonicContact OD1-NH2 2.74Å; S625-R629 PolarHBondContact O-N 2.56Å; S626-R629 PolarHBondContact O-N 2.93Å; E627-R629 VanDerWaalsContact C-N 3.3Å; E627-R629 PolarHBondContact O-N 3.06Å; R629-V632 PolarHBondContact O-N 2.91Å; R629-E633 WeakPolarHBondContact O-CG 3.46Å; R629-E633 PolarHBondContact O-N 3.02Å; R629-N641 PolarHBondContact NH1-OD1 2.68Å; R629-N641 PolarHBondContact NH2-OD1 3.49Å
630V86.5Confident87.9Confident41 Ų4124.1 Ų24.125%0.24814%0.144CC..Hα-helixtrans-68.3-39179-178.30000111.3E627 M628 V632 E633 E634E627-V630 PolarHBondContact O-N 3.21Å; M628-V630 PolarHBondContact O-N 3.12Å; V630-V632 PolarHBondContact O-N 2.82Å; V630-E633 PolarHBondContact O-N 2.76Å; V630-E634 PolarHBondContact O-N 3.17Å
631A90.7Very high88.1Confident0 Ų022.7 Ų22.70%013%0.134CC..Hα-helixtrans-65.3-38.8178.800000112L611 R615 M623 E627 M628 E634 A635 F663L611-A631 WeakPolarHBondContact CD2-O 3.29Å; L611-A631 HydrophobicContact CG-CB 4.43Å; R615-A631 HydrophobicContact CG-CB 4.38Å; M623-A631 HydrophobicContact CE-CB 3.86Å; M623-A631 HydrophobicContact SD-CB 3.8Å; E627-A631 WeakPolarHBondContact O-CB 3.3Å; E627-A631 PolarHBondContact O-N 3.05Å; M628-A631 PolarHBondContact O-N 3.29Å; A631-E634 PolarHBondContact O-N 2.76Å; A631-A635 VanDerWaalsContact O-CB 3.31Å; A631-A635 WeakPolarHBondContact O-CB 3.44Å; A631-A635 PolarHBondContact O-N 2.94Å; A631-F663 HydrophobicContact CB-CE2 3.78Å; A631-F663 HydrophobicContact CB-CZ 4.18Å
632V91.9Very high88.4Confident0 Ų024.6 Ų24.60%015%0.147CC..Hα-helixtrans-63.9-42.5174.9169.40000111.2M628 R629 V630 A635 G636 F637 L639 L667 L670M628-V632 HydrophobicContact CE-CG2 3.66Å; M628-V632 HydrophobicContact CG-CG2 4.29Å; M628-V632 WeakPolarHBondContact O-CB 3.2Å; M628-V632 VanDerWaalsContact O-CG2 3.22Å; M628-V632 WeakPolarHBondContact O-CG2 3.46Å; M628-V632 PolarHBondContact O-N 3.03Å; M628-V632 HydrophobicContact SD-CG2 4.02Å; R629-V632 PolarHBondContact O-N 2.91Å; V630-V632 PolarHBondContact O-N 2.82Å; V632-A635 PolarHBondContact O-N 2.91Å; V632-G636 PolarHBondContact O-N 2.83Å; V632-F637 HydrophobicContact CG1-CB 3.68Å; V632-F637 HydrophobicContact CG1-CD2 4.39Å; V632-F637 HydrophobicContact CG1-CG 4.43Å; V632-F637 PolarHBondContact O-N 3.3Å; V632-L639 HydrophobicContact CG1-CD1 3.62Å; V632-L639 HydrophobicContact CG1-CG 4.03Å; V632-L667 HydrophobicContact CG2-CD2 4.03Å; V632-L670 HydrophobicContact CG1-CD2 4.43Å
633E90.3Very high88.6Confident63 Ų6326.2 Ų26.229%0.29415%0.154SC..Hα-helixtrans-59.5-47.5173.9-71.3174.7-165.300111.6K450 R629 V630 A635 G636 F637K450-E633 IonicContact NZ-OE1 2.56Å; K450-E633 PolarHBondContact NZ-OE1 3.08Å; K450-E633 IonicContact NZ-OE2 2.99Å; R629-E633 WeakPolarHBondContact O-CG 3.46Å; R629-E633 PolarHBondContact O-N 3.02Å; V630-E633 PolarHBondContact O-N 2.76Å; E633-A635 VanDerWaalsContact C-N 3.33Å; E633-A635 PolarHBondContact O-N 3.23Å; E633-G636 WeakPolarHBondContact O-CA 3.34Å; E633-G636 PolarHBondContact O-N 2.95Å; E633-F637 VanDerWaalsContact CA-O 3.28Å; E633-F637 WeakPolarHBondContact CA-O 3.28Å
634E91.2Very high88.8Confident97 Ų9726.4 Ų26.445%0.45316%0.155SC..Hα-helixtrans-72.2-23.5179.6-73.2-176.4-173.100114.3L611 R615 V630 A631 G636L611-E634 HydrophobicContact CD1-CB 3.79Å; L611-E634 WeakPolarHBondContact CD1-OE2 3.25Å; R615-E634 VanDerWaalsContact CZ-CD 3.41Å; R615-E634 IonicContact CZ-OE1 3.87Å; R615-E634 IonicContact CZ-OE2 2.7Å; R615-E634 IonicContact NE-OE1 2.8Å; R615-E634 PolarHBondContact NE-OE1 3.04Å; R615-E634 IonicContact NE-OE2 2.74Å; R615-E634 PolarHBondContact NE-OE2 2.93Å; R615-E634 IonicContact NH1-OE1 2.83Å; R615-E634 IonicContact NH2-OE1 3.24Å; R615-E634 PolarHBondContact NH2-OE1 2.98Å; R615-E634 IonicContact NH2-OE2 3.82Å; R615-E634 PolarHBondContact NH2-OE2 2.75Å; V630-E634 PolarHBondContact O-N 3.17Å; A631-E634 PolarHBondContact O-N 2.76Å; E634-G636 PolarHBondContact O-N 2.8Å
635A92.8Very high88.9Confident18 Ų1825.6 Ų25.615%0.14915%0.147CC..THydrogen-bonded Turntrans-70.2-1116900000112.4L611 A631 V632 E633 F637 L667L611-A635 HydrophobicContact CD2-CB 3.88Å; A631-A635 VanDerWaalsContact O-CB 3.31Å; A631-A635 WeakPolarHBondContact O-CB 3.44Å; A631-A635 PolarHBondContact O-N 2.94Å; V632-A635 PolarHBondContact O-N 2.91Å; E633-A635 VanDerWaalsContact C-N 3.33Å; E633-A635 PolarHBondContact O-N 3.23Å; A635-F637 HydrophobicContact CB-CD2 4.13Å; A635-F637 HydrophobicContact CB-CE2 4.38Å; A635-L667 HydrophobicContact CB-CD1 3.93Å; A635-L667 HydrophobicContact CB-CD2 4.09Å
636G92.9Very high89.4Confident17 Ų1728.8 Ų28.818%0.17516%0.162CC..THydrogen-bonded Turntrans103.214.6177.300000114.2H520 V632 E633 E634H520-G636 CarbonylContact C-O 3.6Å; H520-G636 WeakPolarHBondContact CA-O 3.41Å; H520-G636 PolarHBondContact N-O 3.12Å; V632-G636 PolarHBondContact O-N 2.83Å; E633-G636 WeakPolarHBondContact O-CA 3.34Å; E633-G636 PolarHBondContact O-N 2.95Å; E634-G636 PolarHBondContact O-N 2.8Å
637F94.3Very high90Very high4 Ų427.1 Ų27.12%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-105.9128.4176.7-60.3-80.1000111.3S519 V521 V632 E633 A635 L639 L667 L670 E671 F674S519-F637 WeakPolarHBondContact OG-CE1 3.48Å; V521-F637 HydrophobicContact CG2-CD1 4.01Å; V521-F637 HydrophobicContact CG2-CD2 4.06Å; V521-F637 HydrophobicContact CG2-CE1 3.54Å; V521-F637 HydrophobicContact CG2-CE2 3.58Å; V521-F637 HydrophobicContact CG2-CG 4.27Å; V521-F637 HydrophobicContact CG2-CZ 3.32Å; V632-F637 HydrophobicContact CG1-CB 3.68Å; V632-F637 HydrophobicContact CG1-CD2 4.39Å; V632-F637 HydrophobicContact CG1-CG 4.43Å; V632-F637 PolarHBondContact O-N 3.3Å; E633-F637 VanDerWaalsContact CA-O 3.28Å; E633-F637 WeakPolarHBondContact CA-O 3.28Å; A635-F637 HydrophobicContact CB-CD2 4.13Å; A635-F637 HydrophobicContact CB-CE2 4.38Å; F637-L639 HydrophobicContact CB-CD2 4.37Å; F637-L639 HydrophobicContact CB-CG 4.25Å; F637-L667 HydrophobicContact CD2-CD2 4.1Å; F637-L667 HydrophobicContact CE2-CD2 3.95Å; F637-L670 HydrophobicContact CB-CD2 3.97Å; F637-L670 HydrophobicContact CD1-CD2 3.53Å; F637-L670 HydrophobicContact CD1-CG 3.84Å; F637-L670 HydrophobicContact CD2-CD2 3.72Å; F637-L670 HydrophobicContact CE1-CB 4.23Å; F637-L670 HydrophobicContact CE1-CD2 3.8Å; F637-L670 HydrophobicContact CE1-CG 3.7Å; F637-L670 HydrophobicContact CE2-CD2 3.98Å; F637-L670 HydrophobicContact CE2-CG 4.5Å; F637-L670 HydrophobicContact CG-CD2 3.47Å; F637-L670 VanDerWaalsContact CG-CD2 3.47Å; F637-L670 HydrophobicContact CG-CG 4.29Å; F637-L670 HydrophobicContact CZ-CB 4.1Å; F637-L670 HydrophobicContact CZ-CD2 3.99Å; F637-L670 HydrophobicContact CZ-CG 4.03Å; F637-E671 HydrophobicContact CZ-CB 3.99Å; F637-F674 AromaticContact CD1-CD2 3.88Å; F637-F674 HydrophobicContact CD1-CD2 3.88Å; F637-F674 AromaticContact CD1-CE2 3.72Å; F637-F674 HydrophobicContact CD1-CE2 3.72Å; F637-F674 AromaticContact CE1-CD2 3.76Å; F637-F674 HydrophobicContact CE1-CD2 3.76Å; F637-F674 HydrophobicContact CE1-CE2 4.08Å
638S92.7Very high90.2Very high26 Ų2626 Ų2618%0.18214%0.144CC..EExtended strand (participates in β ladder)trans-97.6124.5164.9-160.10000107.8P516 V517 E518P516-S638 WeakPolarHBondContact CD-OG 3.42Å; P516-S638 CarbonylContact O-C 3.31Å; P516-S638 VanDerWaalsContact O-CB 3.25Å; P516-S638 WeakPolarHBondContact O-CB 3.33Å; P516-S638 PolarHBondContact O-OG 2.72Å; P516-S638 VanDerWaalsContact O-OG 3.13Å; V517-S638 CarbonylContact C-O 3.52Å; V517-S638 WeakPolarHBondContact CA-O 3.45Å; E518-S638 PolarHBondContact N-O 3.43Å; E518-S638 PolarHBondContact O-N 3.4Å
639L91.9Very high90.2Very high1 Ų130.1 Ų30.11%0.00518%0.179CC..  trans-137.1141.9-176.7-56.9-176000111P516 V517 V632 F637 L643 H644 I647 L670 F674P516-L639 PolarHBondContact O-N 3.4Å; V517-L639 HydrophobicContact CG1-CD2 4.43Å; V632-L639 HydrophobicContact CG1-CD1 3.62Å; V632-L639 HydrophobicContact CG1-CG 4.03Å; F637-L639 HydrophobicContact CB-CD2 4.37Å; F637-L639 HydrophobicContact CB-CG 4.25Å; L639-L643 HydrophobicContact CB-CB 4.17Å; L639-L643 HydrophobicContact CB-CD1 4.44Å; L639-L643 HydrophobicContact CD1-CB 4.32Å; L639-L643 HydrophobicContact CD2-CD1 3.9Å; L639-H644 PolarHBondContact O-CD2 3.27Å; L639-H644 PolarHBondContact O-NE2 2.87Å; L639-I647 HydrophobicContact CD1-CD1 3.4Å; L639-I647 VanDerWaalsContact CD1-CD1 3.4Å; L639-L670 HydrophobicContact CD1-CD2 3.83Å; L639-L670 HydrophobicContact CD2-CD1 4.35Å; L639-L670 HydrophobicContact CD2-CD2 4.2Å; L639-L670 HydrophobicContact CG-CD2 4.45Å; L639-F674 HydrophobicContact CD2-CE2 4.06Å; L639-F674 HydrophobicContact CD2-CZ 4.1Å
640N89.4Confident90.4Very high44 Ų4437.6 Ų37.624%0.23521%0.207CC..  trans-72.5167.7172.668.118.9000113D514 V517 S642 L643 H644D514-N640 HydrophobicContact CB-CB 4.22Å; D514-N640 WeakPolarHBondContact OD2-CB 3.46Å; V517-N640 HydrophobicContact CG2-CB 4.36Å; N640-S642 VanDerWaalsContact C-N 3.27Å; N640-S642 PolarHBondContact O-N 2.76Å; N640-S642 PolarHBondContact OD1-N 3.06Å; N640-L643 PolarHBondContact O-N 2.94Å; N640-L643 WeakPolarHBondContact OD1-CG 3.34Å; N640-L643 PolarHBondContact OD1-N 3.46Å; N640-H644 PolarHBondContact O-CD2 3.42Å; N640-H644 PolarHBondContact O-N 3.01Å; N640-H644 VanDerWaalsContact O-N 3.14Å
641N85.8Confident90.6Very high3 Ų337 Ų372%0.01620%0.201CC..Hα-helixtrans-56.3-39.9178.9-75.6-62.4000112.6D514 R629 L643 H644 Q645D514-N641 VanDerWaalsContact CG-ND2 3.27Å; D514-N641 PolarHBondContact OD1-N 3.31Å; D514-N641 PolarHBondContact OD1-ND2 2.67Å; D514-N641 WeakPolarHBondContact OD2-CB 3.48Å; D514-N641 PolarHBondContact OD2-N 3.18Å; D514-N641 PolarHBondContact OD2-ND2 2.86Å; R629-N641 PolarHBondContact NH1-OD1 2.68Å; R629-N641 PolarHBondContact NH2-OD1 3.49Å; N641-L643 VanDerWaalsContact C-N 3.32Å; N641-L643 PolarHBondContact O-N 2.64Å; N641-H644 PolarHBondContact O-N 2.92Å; N641-Q645 VanDerWaalsContact O-CG 3.3Å; N641-Q645 WeakPolarHBondContact O-CG 3.39Å; N641-Q645 PolarHBondContact O-N 3.48Å
642S86.4Confident90.6Very high45 Ų4538.2 Ų38.232%0.31521%0.209SC..Hα-helixtrans-58-42.1178.8-84.30000112.4N640 Q645 I646N640-S642 VanDerWaalsContact C-N 3.27Å; N640-S642 PolarHBondContact O-N 2.76Å; N640-S642 PolarHBondContact OD1-N 3.06Å; S642-Q645 PolarHBondContact O-N 2.77Å; S642-I646 WeakPolarHBondContact O-CG1 3.07Å; S642-I646 PolarHBondContact O-N 2.82Å
643L90.8Very high90.3Very high53 Ų5343 Ų4328%0.27723%0.232SC..Hα-helixtrans-72.4-39.3176.8-71.9174.2000112.1V517 L639 N640 N641 Q645 I646 I647V517-L643 HydrophobicContact CB-CD1 4.35Å; V517-L643 HydrophobicContact CG1-CD1 3.62Å; V517-L643 HydrophobicContact CG2-CD1 3.72Å; L639-L643 HydrophobicContact CB-CB 4.17Å; L639-L643 HydrophobicContact CB-CD1 4.44Å; L639-L643 HydrophobicContact CD1-CB 4.32Å; L639-L643 HydrophobicContact CD2-CD1 3.9Å; N640-L643 PolarHBondContact O-N 2.94Å; N640-L643 WeakPolarHBondContact OD1-CG 3.34Å; N640-L643 PolarHBondContact OD1-N 3.46Å; N641-L643 VanDerWaalsContact C-N 3.32Å; N641-L643 PolarHBondContact O-N 2.64Å; L643-Q645 VanDerWaalsContact C-N 3.27Å; L643-Q645 PolarHBondContact O-N 2.98Å; L643-I646 HydrophobicContact CD2-CD1 4.42Å; L643-I646 PolarHBondContact O-N 2.88Å; L643-I646 VanDerWaalsContact O-N 3.16Å; L643-I647 WeakPolarHBondContact O-CG1 3.29Å; L643-I647 PolarHBondContact O-N 2.93Å
644H90.8Very high90Very high5 Ų547.1 Ų47.12%0.02326%0.261CS..Hα-helixtrans-60.2-37.3173-78-65.4000112.4V369 L639 N640 N641 I646 I647 V648V369-H644 HydrophobicContact CG1-CB 3.59Å; L639-H644 PolarHBondContact O-CD2 3.27Å; L639-H644 PolarHBondContact O-NE2 2.87Å; N640-H644 PolarHBondContact O-CD2 3.42Å; N640-H644 PolarHBondContact O-N 3.01Å; N640-H644 VanDerWaalsContact O-N 3.14Å; N641-H644 PolarHBondContact O-N 2.92Å; H644-I646 VanDerWaalsContact C-N 3.34Å; H644-I646 PolarHBondContact O-N 3.1Å; H644-I647 PolarHBondContact O-N 3.23Å; H644-V648 PolarHBondContact O-N 3.06Å
645Q88.8Confident89.7Confident23 Ų2347.2 Ų47.211%0.10727%0.265CS..Hα-helixtrans-61.2-43.1174.7-72176.616.700111.8T364 R366 V369 S370 N641 S642 L643 A649T364-Q645 PolarHBondContact O-NE2 3.34Å; T364-Q645 PolarHBondContact OG1-NE2 3.35Å; T364-Q645 PolarHBondContact OG1-OE1 2.93Å; R366-Q645 HydrophobicContact CB-CG 3.96Å; R366-Q645 HydrophobicContact CG-CG 3.91Å; V369-Q645 HydrophobicContact CB-CG 4.07Å; V369-Q645 HydrophobicContact CG1-CG 3.77Å; S370-Q645 PolarHBondContact OG-NE2 2.86Å; S370-Q645 VanDerWaalsContact OG-NE2 3.11Å; N641-Q645 VanDerWaalsContact O-CG 3.3Å; N641-Q645 WeakPolarHBondContact O-CG 3.39Å; N641-Q645 PolarHBondContact O-N 3.48Å; S642-Q645 PolarHBondContact O-N 2.77Å; L643-Q645 VanDerWaalsContact C-N 3.27Å; L643-Q645 PolarHBondContact O-N 2.98Å; Q645-A649 WeakPolarHBondContact O-CB 3.49Å; Q645-A649 PolarHBondContact O-N 2.88Å
646I90.1Very high89.4Confident79 Ų7948.7 Ų48.741%0.40527%0.27SS..Hα-helixtrans-64.6-42176.7-66.4168.2000110.6S642 L643 H644 R650S642-I646 WeakPolarHBondContact O-CG1 3.07Å; S642-I646 PolarHBondContact O-N 2.82Å; L643-I646 HydrophobicContact CD2-CD1 4.42Å; L643-I646 PolarHBondContact O-N 2.88Å; L643-I646 VanDerWaalsContact O-N 3.16Å; H644-I646 VanDerWaalsContact C-N 3.34Å; H644-I646 PolarHBondContact O-N 3.1Å; I646-R650 VanDerWaalsContact O-CB 3.22Å; I646-R650 WeakPolarHBondContact O-CB 3.49Å; I646-R650 PolarHBondContact O-N 2.87Å
647I91.9Very high89.2Confident11 Ų1149.7 Ų49.76%0.05627%0.273CS..Hα-helixtrans-59.6-53.8178.3-72.5171000110.2M628 L639 L643 H644 A649 R650 Y651M628-I647 HydrophobicContact CE-CG2 3.65Å; M628-I647 HydrophobicContact CG-CG2 4.15Å; L639-I647 HydrophobicContact CD1-CD1 3.4Å; L639-I647 VanDerWaalsContact CD1-CD1 3.4Å; L643-I647 WeakPolarHBondContact O-CG1 3.29Å; L643-I647 PolarHBondContact O-N 2.93Å; H644-I647 PolarHBondContact O-N 3.23Å; I647-A649 PolarHBondContact O-N 2.87Å; I647-R650 PolarHBondContact O-N 3.49Å; I647-Y651 HydrophobicContact CG2-CD2 4.29Å; I647-Y651 WeakPolarHBondContact O-CB 3.39Å; I647-Y651 WeakPolarHBondContact O-CD2 3.49Å; I647-Y651 PolarHBondContact O-N 3.22Å
648V90.1Very high89Confident7 Ų749.5 Ų49.54%0.04227%0.272CS..Hα-helixtrans-65.7-43.6-178.1174.30000111V369 H644 R650 S652 L656V369-V648 HydrophobicContact CG2-CB 3.48Å; V369-V648 VanDerWaalsContact CG2-CB 3.48Å; V369-V648 HydrophobicContact CG2-CG1 3.99Å; V369-V648 HydrophobicContact CG2-CG2 3.33Å; H644-V648 PolarHBondContact O-N 3.06Å; V648-R650 PolarHBondContact O-N 3.01Å; V648-S652 WeakPolarHBondContact CG1-OG 3.44Å; V648-S652 VanDerWaalsContact O-CB 3.22Å; V648-S652 WeakPolarHBondContact O-CB 3.5Å; V648-S652 PolarHBondContact O-N 3.36Å; V648-S652 PolarHBondContact O-OG 2.94Å; V648-L656 HydrophobicContact CG1-CD2 4.11Å
649A88Confident89Confident89 Ų8949.1 Ų49.174%0.73627%0.268SS*.Hα-helixtrans-61.3-27.3178.200000113.8Q645 I647Q645-A649 WeakPolarHBondContact O-CB 3.49Å; Q645-A649 PolarHBondContact O-N 2.88Å; I647-A649 PolarHBondContact O-N 2.87Å
650R90.7Very high89Confident163 Ų16349.1 Ų49.162%0.61527%0.268SS*.Hα-helixtrans-95.1-38.6-177-174.2174.7-175.7108.81.1113.8I646 I647 V648I646-R650 VanDerWaalsContact O-CB 3.22Å; I646-R650 WeakPolarHBondContact O-CB 3.49Å; I646-R650 PolarHBondContact O-N 2.87Å; I647-R650 PolarHBondContact O-N 3.49Å; V648-R650 PolarHBondContact O-N 3.01Å
651Y91.5Very high89.2Confident28 Ų2847.5 Ų47.511%0.1126%0.259CS..Hα-helixtrans-110.6-8.7-167.9-65.6-75000113.8I647 N662 C666 R669I647-Y651 HydrophobicContact CG2-CD2 4.29Å; I647-Y651 WeakPolarHBondContact O-CB 3.39Å; I647-Y651 WeakPolarHBondContact O-CD2 3.49Å; I647-Y651 PolarHBondContact O-N 3.22Å; Y651-N662 HydrophobicContact CD1-CB 4.34Å; Y651-N662 VanDerWaalsContact O-CB 3.31Å; Y651-N662 WeakPolarHBondContact O-CB 3.39Å; Y651-C666 HydrophobicContact CD1-CB 4.04Å; Y651-C666 HydrophobicContact CD2-CB 3.69Å; Y651-C666 HydrophobicContact CE1-CB 4.06Å; Y651-C666 HydrophobicContact CE2-CB 3.71Å; Y651-C666 HydrophobicContact CG-CB 3.85Å; Y651-R669 WeakPolarHBondContact OH-CD 3.43Å
652S90.2Very high89.6Confident26 Ų2649.2 Ų49.218%0.18227%0.269CS..SBendtrans-89.9148.3173.475.90000112.3V648 T657V648-S652 WeakPolarHBondContact CG1-OG 3.44Å; V648-S652 VanDerWaalsContact O-CB 3.22Å; V648-S652 WeakPolarHBondContact O-CB 3.5Å; V648-S652 PolarHBondContact O-N 3.36Å; V648-S652 PolarHBondContact O-OG 2.94Å; S652-T657 WeakPolarHBondContact CA-O 3.37Å
653E87Confident89.9Confident101 Ų10147.1 Ų47.147%0.47225%0.254SS..  trans-72.6172.3170-67.2-63.8161.900111.1N655 L656 T657E653-N655 WeakPolarHBondContact CB-OD1 3.44Å; E653-N655 PolarHBondContact O-N 3.03Å; E653-L656 WeakPolarHBondContact O-CA 3.37Å; E653-L656 PolarHBondContact O-N 3.45Å; E653-T657 WeakPolarHBondContact CB-O 3.41Å; E653-T657 PolarHBondContact N-O 2.92Å
654T83.1Confident90.1Very high149 Ų14944.6 Ų44.691%0.91424%0.24SC*.THydrogen-bonded Turntrans-59-19.9-178.953.70000114.4
655N85Confident90.3Very high100 Ų10044.4 Ų44.454%0.53524%0.24SC..THydrogen-bonded Turntrans-94.410.4175.968.3-11.2000113.3E653 T657E653-N655 WeakPolarHBondContact CB-OD1 3.44Å; E653-N655 PolarHBondContact O-N 3.03Å; N655-T657 VanDerWaalsContact CG-OG1 3.24Å; N655-T657 WeakPolarHBondContact ND2-CG2 3.38Å; N655-T657 PolarHBondContact ND2-OG1 3.15Å; N655-T657 VanDerWaalsContact ND2-OG1 3.08Å; N655-T657 PolarHBondContact O-N 2.8Å; N655-T657 WeakPolarHBondContact OD1-CB 3.34Å; N655-T657 PolarHBondContact OD1-N 3.19Å; N655-T657 VanDerWaalsContact OD1-N 3.09Å; N655-T657 PolarHBondContact OD1-OG1 2.93Å
656L85.7Confident90.6Very high49 Ų4943.4 Ų43.426%0.25724%0.236SC..SBendtrans63.718.9-177.3-54.3171000114.9S367 S625 V648 E653S367-L656 WeakPolarHBondContact OG-CD1 3.22Å; S625-L656 PolarHBondContact N-O 2.85Å; V648-L656 HydrophobicContact CG1-CD2 4.11Å; E653-L656 WeakPolarHBondContact O-CA 3.37Å; E653-L656 PolarHBondContact O-N 3.45Å
657T89.2Confident90.9Very high37 Ų3739.7 Ų39.723%0.22722%0.216CC..EExtended strand (participates in β ladder)trans-92146.7170.666.20000110.5M623 S652 E653 N655M623-T657 CarbonylContact O-C 3.59Å; M623-T657 WeakPolarHBondContact O-CA 3.49Å; S652-T657 WeakPolarHBondContact CA-O 3.37Å; E653-T657 WeakPolarHBondContact CB-O 3.41Å; E653-T657 PolarHBondContact N-O 2.92Å; N655-T657 VanDerWaalsContact CG-OG1 3.24Å; N655-T657 WeakPolarHBondContact ND2-CG2 3.38Å; N655-T657 PolarHBondContact ND2-OG1 3.15Å; N655-T657 VanDerWaalsContact ND2-OG1 3.08Å; N655-T657 PolarHBondContact O-N 2.8Å; N655-T657 WeakPolarHBondContact OD1-CB 3.34Å; N655-T657 PolarHBondContact OD1-N 3.19Å; N655-T657 VanDerWaalsContact OD1-N 3.09Å; N655-T657 PolarHBondContact OD1-OG1 2.93Å
658I91.1Very high91Very high0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-119120.8179.4-61.8169.2000106.7M623 M628 N662 F663M623-I658 HydrophobicContact CB-CB 4.43Å; M623-I658 PolarHBondContact N-O 3.06Å; M623-I658 PolarHBondContact O-N 2.75Å; M628-I658 HydrophobicContact CB-CD1 3.73Å; M628-I658 HydrophobicContact CG-CD1 3.58Å; M628-I658 HydrophobicContact SD-CD1 4.12Å; I658-N662 HydrophobicContact CG2-CB 3.94Å; I658-F663 HydrophobicContact CG2-CB 4.13Å
659D91.6Very high91.2Very high18 Ų1841.5 Ų41.510%0.09622%0.222CC..  trans-82.1172.8176.287.2-32.4000111.5S570 D661 N662 F663S570-D659 WeakPolarHBondContact CB-OD2 3.2Å; S570-D659 PolarHBondContact OG-OD2 2.85Å; D659-D661 VanDerWaalsContact C-N 3.32Å; D659-D661 PolarHBondContact O-N 3Å; D659-D661 PolarHBondContact OD1-N 3.36Å; D659-N662 PolarHBondContact O-N 3.4Å; D659-N662 VanDerWaalsContact OD1-CB 3.31Å; D659-N662 WeakPolarHBondContact OD1-CB 3.46Å; D659-N662 PolarHBondContact OD1-N 3.22Å; D659-N662 PolarHBondContact OD1-ND2 3.39Å; D659-F663 WeakPolarHBondContact O-CB 3.29Å; D659-F663 PolarHBondContact O-N 3.3Å
660F92.3Very high91.5Very high2 Ų238.3 Ų38.31%0.00919%0.192CC..Hα-helixtrans-65.1-33.2-175.9-172.9-117.8000113.5V562 I568 F573 I605 L609 F612 F663 V664V562-F660 HydrophobicContact CG1-CD1 4.49Å; V562-F660 HydrophobicContact CG2-CD1 4.4Å; V562-F660 HydrophobicContact CG2-CE1 4.31Å; I568-F660 HydrophobicContact CD1-CD1 4.31Å; I568-F660 HydrophobicContact CG2-CB 3.51Å; I568-F660 HydrophobicContact CG2-CG 4.17Å; F573-F660 HydrophobicContact CE1-CE1 4.47Å; F573-F660 HydrophobicContact CE2-CD1 4.4Å; F573-F660 HydrophobicContact CE2-CE1 4.11Å; F573-F660 AromaticContact CZ-CD1 3.91Å; F573-F660 HydrophobicContact CZ-CD1 3.91Å; F573-F660 AromaticContact CZ-CE1 3.56Å; F573-F660 HydrophobicContact CZ-CE1 3.56Å; F573-F660 HydrophobicContact CZ-CZ 4.45Å; I605-F660 HydrophobicContact CG2-CZ 4.49Å; L609-F660 HydrophobicContact CB-CE2 4.16Å; L609-F660 HydrophobicContact CB-CZ 3.8Å; L609-F660 HydrophobicContact CD1-CD2 4.43Å; L609-F660 HydrophobicContact CD1-CE1 4.25Å; L609-F660 HydrophobicContact CD1-CE2 3.92Å; L609-F660 HydrophobicContact CD1-CZ 3.81Å; L609-F660 HydrophobicContact CG-CZ 4.38Å; F612-F660 HydrophobicContact CB-CD2 3.97Å; F612-F660 HydrophobicContact CB-CE2 4.05Å; F612-F660 HydrophobicContact CD1-CD2 4.16Å; F612-F660 AromaticContact CD2-CD2 3.82Å; F612-F660 HydrophobicContact CD2-CD2 3.82Å; F612-F660 HydrophobicContact CE2-CB 4.35Å; F612-F660 HydrophobicContact CE2-CD2 4.31Å; F612-F660 AromaticContact CG-CD2 3.72Å; F612-F660 HydrophobicContact CG-CD2 3.72Å; F612-F660 HydrophobicContact CG-CE2 4.31Å; F612-F660 HydrophobicContact CZ-CB 4.26Å; F660-F663 HydrophobicContact CD2-CD1 4.25Å; F660-F663 HydrophobicContact CE2-CD1 4.29Å; F660-V664 HydrophobicContact CD1-CG2 4.49Å; F660-V664 HydrophobicContact CD2-CG2 4.14Å; F660-V664 HydrophobicContact CE1-CG2 4.1Å; F660-V664 HydrophobicContact CE2-CG2 3.69Å; F660-V664 HydrophobicContact CZ-CG2 3.67Å; F660-V664 WeakPolarHBondContact O-CG2 3.38Å; F660-V664 PolarHBondContact O-N 3.28Å; F660-V664 VanDerWaalsContact O-N 3.09Å
661D93.7Very high91.6Very high10 Ų1031.2 Ų31.25%0.05317%0.166CC..Hα-helixtrans-63.2-51.4175.9-177.432.3000110.8F573 S574 T577 D659 F663 V664 G665F573-D661 WeakPolarHBondContact CA-OD1 3.39Å; F573-D661 HydrophobicContact CD1-CB 4.44Å; F573-D661 VanDerWaalsContact CD1-OD1 3.27Å; F573-D661 WeakPolarHBondContact CD1-OD1 3.16Å; S574-D661 WeakPolarHBondContact CB-OD2 3.23Å; S574-D661 PolarHBondContact N-OD1 2.88Å; S574-D661 PolarHBondContact N-OD2 2.93Å; S574-D661 PolarHBondContact OG-OD2 3.34Å; S574-D661 VanDerWaalsContact OG-OD2 3.05Å; T577-D661 WeakPolarHBondContact CB-OD1 3.42Å; T577-D661 WeakPolarHBondContact CG2-OD1 3.36Å; T577-D661 PolarHBondContact OG1-OD1 2.83Å; D659-D661 VanDerWaalsContact C-N 3.32Å; D659-D661 PolarHBondContact O-N 3Å; D659-D661 PolarHBondContact OD1-N 3.36Å; D661-F663 VanDerWaalsContact C-N 3.35Å; D661-F663 PolarHBondContact O-N 2.95Å; D661-V664 PolarHBondContact O-N 3.08Å; D661-G665 PolarHBondContact O-N 3.27Å
662N93.6Very high91.6Very high39 Ų3931.3 Ų31.321%0.20917%0.17CC..Hα-helixtrans-64.9-37.3179.4-76.4-58.3000112.6Y651 I658 D659 C666Y651-N662 HydrophobicContact CD1-CB 4.34Å; Y651-N662 VanDerWaalsContact O-CB 3.31Å; Y651-N662 WeakPolarHBondContact O-CB 3.39Å; I658-N662 HydrophobicContact CG2-CB 3.94Å; D659-N662 PolarHBondContact O-N 3.4Å; D659-N662 VanDerWaalsContact OD1-CB 3.31Å; D659-N662 WeakPolarHBondContact OD1-CB 3.46Å; D659-N662 PolarHBondContact OD1-N 3.22Å; D659-N662 PolarHBondContact OD1-ND2 3.39Å; N662-C666 VanDerWaalsContact O-CB 3.27Å; N662-C666 WeakPolarHBondContact O-CB 3.44Å; N662-C666 PolarHBondContact O-N 2.99Å
663F94.1Very high91.7Very high0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-58.2-54.1174.5174.7-108000111.7F608 L611 F612 M623 M628 A631 I658 D659 F660 D661 C666 L667F608-F663 HydrophobicContact CB-CE1 4.05Å; L611-F663 HydrophobicContact CD2-CZ 4.02Å; L611-F663 HydrophobicContact CG-CZ 4.28Å; F612-F663 HydrophobicContact CB-CD1 4.28Å; F612-F663 HydrophobicContact CB-CE1 4.13Å; F612-F663 HydrophobicContact CD2-CB 3.96Å; F612-F663 AromaticContact CD2-CD1 3.69Å; F612-F663 HydrophobicContact CD2-CD1 3.69Å; F612-F663 HydrophobicContact CD2-CD2 4.3Å; F612-F663 HydrophobicContact CD2-CE1 4.24Å; F612-F663 AromaticContact CD2-CG 3.72Å; F612-F663 HydrophobicContact CD2-CG 3.72Å; F612-F663 HydrophobicContact CE2-CB 4Å; F612-F663 HydrophobicContact CE2-CG 4.24Å; F612-F663 HydrophobicContact CG-CD1 4.44Å; M623-F663 HydrophobicContact CE-CD2 4.22Å; M623-F663 HydrophobicContact CE-CE2 4.03Å; M623-F663 HydrophobicContact CE-CZ 4.43Å; M623-F663 HydrophobicContact SD-CD2 3.91Å; M623-F663 HydrophobicContact SD-CE2 3.96Å; M628-F663 HydrophobicContact CE-CD2 4.07Å; M628-F663 HydrophobicContact CE-CE2 4.49Å; M628-F663 HydrophobicContact SD-CD2 3.51Å; M628-F663 VanDerWaalsContact SD-CD2 3.51Å; M628-F663 HydrophobicContact SD-CE2 3.84Å; A631-F663 HydrophobicContact CB-CE2 3.78Å; A631-F663 HydrophobicContact CB-CZ 4.18Å; I658-F663 HydrophobicContact CG2-CB 4.13Å; D659-F663 WeakPolarHBondContact O-CB 3.29Å; D659-F663 PolarHBondContact O-N 3.3Å; F660-F663 HydrophobicContact CD2-CD1 4.25Å; F660-F663 HydrophobicContact CE2-CD1 4.29Å; D661-F663 VanDerWaalsContact C-N 3.35Å; D661-F663 PolarHBondContact O-N 2.95Å; F663-C666 WeakPolarHBondContact O-CB 3.37Å; F663-C666 PolarHBondContact O-N 2.82Å; F663-L667 HydrophobicContact CD1-CD1 4.46Å; F663-L667 HydrophobicContact CE1-CD1 3.77Å; F663-L667 HydrophobicContact CE2-CD1 3.91Å; F663-L667 HydrophobicContact CE2-CG 4.35Å; F663-L667 HydrophobicContact CZ-CD1 3.45Å; F663-L667 VanDerWaalsContact CZ-CD1 3.45Å; F663-L667 HydrophobicContact CZ-CG 4.35Å; F663-L667 PolarHBondContact O-N 3.3Å; F663-L667 VanDerWaalsContact O-N 3.13Å
664V94.4Very high92Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-66.1-42.9-1801750000110.8F573 T577 M581 F608 F660 D661 C666 L667 I668F573-V664 HydrophobicContact CE1-CB 3.87Å; F573-V664 HydrophobicContact CE1-CG1 3.96Å; F573-V664 HydrophobicContact CE1-CG2 4.06Å; F573-V664 HydrophobicContact CZ-CG2 4.26Å; T577-V664 HydrophobicContact CG2-CG1 4.5Å; M581-V664 HydrophobicContact CE-CB 4.47Å; M581-V664 HydrophobicContact CE-CG1 3.41Å; M581-V664 VanDerWaalsContact CE-CG1 3.41Å; F608-V664 HydrophobicContact CB-CG2 4.2Å; F608-V664 HydrophobicContact CD2-CG1 4.06Å; F608-V664 HydrophobicContact CD2-CG2 4.24Å; F608-V664 HydrophobicContact CE2-CG1 4.49Å; F660-V664 HydrophobicContact CD1-CG2 4.49Å; F660-V664 HydrophobicContact CD2-CG2 4.14Å; F660-V664 HydrophobicContact CE1-CG2 4.1Å; F660-V664 HydrophobicContact CE2-CG2 3.69Å; F660-V664 HydrophobicContact CZ-CG2 3.67Å; F660-V664 WeakPolarHBondContact O-CG2 3.38Å; F660-V664 PolarHBondContact O-N 3.28Å; F660-V664 VanDerWaalsContact O-N 3.09Å; D661-V664 PolarHBondContact O-N 3.08Å; V664-C666 PolarHBondContact O-N 2.89Å; V664-L667 PolarHBondContact O-N 3.31Å; V664-I668 HydrophobicContact CG1-CG1 3.94Å; V664-I668 WeakPolarHBondContact O-CB 3.21Å; V664-I668 VanDerWaalsContact O-CG1 3.25Å; V664-I668 WeakPolarHBondContact O-CG1 3.25Å; V664-I668 PolarHBondContact O-N 2.69Å
665G94.4Very high92.4Very high1 Ų126.4 Ų26.41%0.0114%0.137CC..Hα-helixtrans-58.2-37.5176.700000112.7D661 R669D661-G665 PolarHBondContact O-N 3.27Å; G665-R669 VanDerWaalsContact O-CB 3.23Å; G665-R669 WeakPolarHBondContact O-CB 3.48Å; G665-R669 PolarHBondContact O-N 3.36Å; G665-R669 VanDerWaalsContact O-N 3.11Å
666C95.1Very high92.6Very high3 Ų324.4 Ų24.42%0.0213%0.128CC..Hα-helixtrans-63.9-54.7173.7-1780000112.1M628 Y651 N662 F663 V664 I668 R669 L670M628-C666 HydrophobicContact CE-CB 3.88Å; M628-C666 VanDerWaalsContact CE-SG 3.58Å; Y651-C666 HydrophobicContact CD1-CB 4.04Å; Y651-C666 HydrophobicContact CD2-CB 3.69Å; Y651-C666 HydrophobicContact CE1-CB 4.06Å; Y651-C666 HydrophobicContact CE2-CB 3.71Å; Y651-C666 HydrophobicContact CG-CB 3.85Å; N662-C666 VanDerWaalsContact O-CB 3.27Å; N662-C666 WeakPolarHBondContact O-CB 3.44Å; N662-C666 PolarHBondContact O-N 2.99Å; F663-C666 WeakPolarHBondContact O-CB 3.37Å; F663-C666 PolarHBondContact O-N 2.82Å; V664-C666 PolarHBondContact O-N 2.89Å; C666-I668 PolarHBondContact O-N 3.27Å; C666-R669 PolarHBondContact O-N 2.83Å; C666-L670 WeakPolarHBondContact O-CB 3.37Å; C666-L670 PolarHBondContact O-N 2.92Å
667L95.4Very high93Very high0 Ų025.6 Ų25.60%013%0.132CC..Hα-helixtrans-63.6-42.6-176.1-65.1-175.4000112.4F608 V632 A635 F637 F663 V664 R669 L670 E671F608-L667 HydrophobicContact CD1-CD1 3.61Å; F608-L667 HydrophobicContact CE1-CB 4.26Å; F608-L667 HydrophobicContact CE1-CD1 3.6Å; F608-L667 HydrophobicContact CE2-CB 4.25Å; F608-L667 HydrophobicContact CG-CD1 4.14Å; F608-L667 HydrophobicContact CZ-CB 3.93Å; F608-L667 HydrophobicContact CZ-CD1 4.09Å; V632-L667 HydrophobicContact CG2-CD2 4.03Å; A635-L667 HydrophobicContact CB-CD1 3.93Å; A635-L667 HydrophobicContact CB-CD2 4.09Å; F637-L667 HydrophobicContact CD2-CD2 4.1Å; F637-L667 HydrophobicContact CE2-CD2 3.95Å; F663-L667 HydrophobicContact CD1-CD1 4.46Å; F663-L667 HydrophobicContact CE1-CD1 3.77Å; F663-L667 HydrophobicContact CE2-CD1 3.91Å; F663-L667 HydrophobicContact CE2-CG 4.35Å; F663-L667 HydrophobicContact CZ-CD1 3.45Å; F663-L667 VanDerWaalsContact CZ-CD1 3.45Å; F663-L667 HydrophobicContact CZ-CG 4.35Å; F663-L667 PolarHBondContact O-N 3.3Å; F663-L667 VanDerWaalsContact O-N 3.13Å; V664-L667 PolarHBondContact O-N 3.31Å; L667-R669 PolarHBondContact O-N 2.97Å; L667-L670 PolarHBondContact O-N 2.95Å; L667-E671 WeakPolarHBondContact O-CB 3.44Å; L667-E671 PolarHBondContact O-N 2.62Å
668I94.6Very high93.1Very high0 Ų028.5 Ų28.50%014%0.143CC..Hα-helixtrans-61.4-45.7176.4-68.8-70000110.6N580 M581 L584 F608 V664 C666 L670 E671 T672N580-I668 VanDerWaalsContact C-CG2 3.49Å; N580-I668 HydrophobicContact CB-CG2 3.93Å; N580-I668 WeakPolarHBondContact O-CG2 3.19Å; M581-I668 HydrophobicContact CG-CD1 4.48Å; M581-I668 HydrophobicContact CG-CG1 4.2Å; M581-I668 HydrophobicContact CG-CG2 4.4Å; L584-I668 HydrophobicContact CB-CG2 4.13Å; L584-I668 HydrophobicContact CD2-CD1 3.54Å; L584-I668 HydrophobicContact CD2-CG2 4.03Å; F608-I668 HydrophobicContact CE2-CD1 3.88Å; F608-I668 HydrophobicContact CE2-CG1 4.13Å; V664-I668 HydrophobicContact CG1-CG1 3.94Å; V664-I668 WeakPolarHBondContact O-CB 3.21Å; V664-I668 VanDerWaalsContact O-CG1 3.25Å; V664-I668 WeakPolarHBondContact O-CG1 3.25Å; V664-I668 PolarHBondContact O-N 2.69Å; C666-I668 PolarHBondContact O-N 3.27Å; I668-L670 VanDerWaalsContact C-N 3.34Å; I668-L670 PolarHBondContact O-N 3.41Å; I668-E671 PolarHBondContact O-N 2.99Å; I668-T672 WeakPolarHBondContact O-CB 3.34Å; I668-T672 PolarHBondContact O-N 2.96Å; I668-T672 PolarHBondContact O-OG1 3.25Å
669R93.6Very high93Very high56 Ų5633.5 Ų33.521%0.21117%0.173CC..Hα-helixtrans-66.4-38.3179.1-172.6164.8-176.5924.3111.5Y651 G665 C666 L667 T672 L673Y651-R669 WeakPolarHBondContact OH-CD 3.43Å; G665-R669 VanDerWaalsContact O-CB 3.23Å; G665-R669 WeakPolarHBondContact O-CB 3.48Å; G665-R669 PolarHBondContact O-N 3.36Å; G665-R669 VanDerWaalsContact O-N 3.11Å; C666-R669 PolarHBondContact O-N 2.83Å; L667-R669 PolarHBondContact O-N 2.97Å; R669-T672 PolarHBondContact O-N 2.93Å; R669-L673 HydrophobicContact CG-CD1 4.35Å; R669-L673 VanDerWaalsContact O-CG 3.31Å; R669-L673 WeakPolarHBondContact O-CG 3.39Å; R669-L673 PolarHBondContact O-N 2.88Å
670L94.3Very high93Very high22 Ų2236.3 Ų36.312%0.11519%0.188CC..Hα-helixtrans-63.5-47.7176.6-169.663.8000111.1V632 F637 L639 C666 L667 I668 T672 L673 F674V632-L670 HydrophobicContact CG1-CD2 4.43Å; F637-L670 HydrophobicContact CB-CD2 3.97Å; F637-L670 HydrophobicContact CD1-CD2 3.53Å; F637-L670 HydrophobicContact CD1-CG 3.84Å; F637-L670 HydrophobicContact CD2-CD2 3.72Å; F637-L670 HydrophobicContact CE1-CB 4.23Å; F637-L670 HydrophobicContact CE1-CD2 3.8Å; F637-L670 HydrophobicContact CE1-CG 3.7Å; F637-L670 HydrophobicContact CE2-CD2 3.98Å; F637-L670 HydrophobicContact CE2-CG 4.5Å; F637-L670 HydrophobicContact CG-CD2 3.47Å; F637-L670 VanDerWaalsContact CG-CD2 3.47Å; F637-L670 HydrophobicContact CG-CG 4.29Å; F637-L670 HydrophobicContact CZ-CB 4.1Å; F637-L670 HydrophobicContact CZ-CD2 3.99Å; F637-L670 HydrophobicContact CZ-CG 4.03Å; L639-L670 HydrophobicContact CD1-CD2 3.83Å; L639-L670 HydrophobicContact CD2-CD1 4.35Å; L639-L670 HydrophobicContact CD2-CD2 4.2Å; L639-L670 HydrophobicContact CG-CD2 4.45Å; C666-L670 WeakPolarHBondContact O-CB 3.37Å; C666-L670 PolarHBondContact O-N 2.92Å; L667-L670 PolarHBondContact O-N 2.95Å; I668-L670 VanDerWaalsContact C-N 3.34Å; I668-L670 PolarHBondContact O-N 3.41Å; L670-T672 VanDerWaalsContact C-N 3.3Å; L670-T672 PolarHBondContact O-N 3.03Å; L670-L673 PolarHBondContact O-N 2.94Å; L670-F674 HydrophobicContact CD1-CD2 4.13Å; L670-F674 HydrophobicContact CD1-CE2 3.8Å; L670-F674 HydrophobicContact CD2-CE2 4.45Å; L670-F674 HydrophobicContact CG-CD2 3.98Å; L670-F674 HydrophobicContact CG-CE2 3.87Å; L670-F674 WeakPolarHBondContact O-CD2 3.43Å; L670-F674 PolarHBondContact O-N 2.64Å
671E94.3Very high93.1Very high14 Ų1437.3 Ų37.37%0.06519%0.193CC..Hα-helixtrans-58.1-43.3175.4-164.7177.916400111.6L584 K604 F637 L667 I668 L673 F674 N675L584-E671 HydrophobicContact CD1-CB 4.13Å; L584-E671 HydrophobicContact CD1-CG 4.01Å; L584-E671 HydrophobicContact CD2-CB 4.37Å; L584-E671 HydrophobicContact CD2-CG 4.46Å; K604-E671 IonicContact NZ-OE1 3.65Å; K604-E671 PolarHBondContact NZ-OE1 3.43Å; K604-E671 IonicContact NZ-OE2 3.72Å; K604-E671 PolarHBondContact NZ-OE2 2.87Å; F637-E671 HydrophobicContact CZ-CB 3.99Å; L667-E671 WeakPolarHBondContact O-CB 3.44Å; L667-E671 PolarHBondContact O-N 2.62Å; I668-E671 PolarHBondContact O-N 2.99Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 3.24Å; E671-F674 PolarHBondContact O-N 3.49Å; E671-N675 WeakPolarHBondContact O-CB 3.49Å; E671-N675 PolarHBondContact O-N 2.94Å; E671-N675 PolarHBondContact O-ND2 2.88Å
672T91.6Very high92.8Very high30 Ų3046 Ų4618%0.18423%0.231CC..Hα-helixtrans-59.9-43.7178-53.10000111.2L584 I668 R669 L670 T676L584-T672 WeakPolarHBondContact CD1-OG1 3.47Å; I668-T672 WeakPolarHBondContact O-CB 3.34Å; I668-T672 PolarHBondContact O-N 2.96Å; I668-T672 PolarHBondContact O-OG1 3.25Å; R669-T672 PolarHBondContact O-N 2.93Å; L670-T672 VanDerWaalsContact C-N 3.3Å; L670-T672 PolarHBondContact O-N 3.03Å; T672-T676 VanDerWaalsContact O-CB 3.31Å; T672-T676 WeakPolarHBondContact O-CB 3.08Å; T672-T676 PolarHBondContact O-N 3.02Å; T672-T676 PolarHBondContact O-OG1 3.28Å
673L92.8Very high92.6Very high93 Ų9350.4 Ų50.449%0.48725%0.254SS..Hα-helixtrans-68.5-42.7-179.6-70.1172.2000112.3R669 L670 E671 T676 F677R669-L673 HydrophobicContact CG-CD1 4.35Å; R669-L673 VanDerWaalsContact O-CG 3.31Å; R669-L673 WeakPolarHBondContact O-CG 3.39Å; R669-L673 PolarHBondContact O-N 2.88Å; L670-L673 PolarHBondContact O-N 2.94Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 3.24Å; L673-T676 PolarHBondContact O-N 3.06Å; L673-F677 WeakPolarHBondContact O-CB 3.22Å; L673-F677 PolarHBondContact O-N 3.46Å
674F93.3Very high92.4Very high31 Ų3153.3 Ų53.314%0.13628%0.284CS..Hα-helixtrans-61.2-50.2174.2-87.8-78.4000111.3V517 F637 L639 L670 E671 T676 F677 E678V517-F674 HydrophobicContact CG1-CE1 4.14Å; V517-F674 HydrophobicContact CG1-CZ 3.75Å; F637-F674 AromaticContact CD1-CD2 3.88Å; F637-F674 HydrophobicContact CD1-CD2 3.88Å; F637-F674 AromaticContact CD1-CE2 3.72Å; F637-F674 HydrophobicContact CD1-CE2 3.72Å; F637-F674 AromaticContact CE1-CD2 3.76Å; F637-F674 HydrophobicContact CE1-CD2 3.76Å; F637-F674 HydrophobicContact CE1-CE2 4.08Å; L639-F674 HydrophobicContact CD2-CE2 4.06Å; L639-F674 HydrophobicContact CD2-CZ 4.1Å; L670-F674 HydrophobicContact CD1-CD2 4.13Å; L670-F674 HydrophobicContact CD1-CE2 3.8Å; L670-F674 HydrophobicContact CD2-CE2 4.45Å; L670-F674 HydrophobicContact CG-CD2 3.98Å; L670-F674 HydrophobicContact CG-CE2 3.87Å; L670-F674 WeakPolarHBondContact O-CD2 3.43Å; L670-F674 PolarHBondContact O-N 2.64Å; E671-F674 PolarHBondContact O-N 3.49Å; F674-T676 VanDerWaalsContact C-N 3.3Å; F674-T676 PolarHBondContact O-N 3.48Å; F674-F677 PolarHBondContact O-N 2.89Å; F674-E678 WeakPolarHBondContact O-CG 3.27Å; F674-E678 PolarHBondContact O-N 2.91Å
675N90.6Very high92.2Very high49 Ų4956 Ų5626%0.26230%0.303SS..Hα-helixtrans-58.4-42.8178.1-71.8-18.3000111.7E671 V679E671-N675 WeakPolarHBondContact O-CB 3.49Å; E671-N675 PolarHBondContact O-N 2.94Å; E671-N675 PolarHBondContact O-ND2 2.88Å; N675-V679 WeakPolarHBondContact O-CB 3.18Å; N675-V679 WeakPolarHBondContact O-CG2 3.47Å; N675-V679 PolarHBondContact O-N 2.82Å
676T89.9Confident91.9Very high58 Ų5858.4 Ų58.436%0.35633%0.328SS..Hα-helixtrans-64.5-43.8178.5-58.10000111.2T672 L673 F674 V679 L680T672-T676 VanDerWaalsContact O-CB 3.31Å; T672-T676 WeakPolarHBondContact O-CB 3.08Å; T672-T676 PolarHBondContact O-N 3.02Å; T672-T676 PolarHBondContact O-OG1 3.28Å; L673-T676 PolarHBondContact O-N 3.06Å; F674-T676 VanDerWaalsContact C-N 3.3Å; F674-T676 PolarHBondContact O-N 3.48Å; T676-V679 PolarHBondContact O-N 3.37Å; T676-L680 HydrophobicContact CG2-CD1 3.97Å; T676-L680 VanDerWaalsContact O-CG 3.28Å; T676-L680 WeakPolarHBondContact O-CG 3.36Å; T676-L680 PolarHBondContact O-N 2.86Å
677F92.9Very high91.8Very high75 Ų7562.8 Ų62.833%0.32936%0.355SS..Hα-helixtrans-63.3-48.3177.9-170.5-83.4000111.5L673 F674 V679 L680 D681 I688L673-F677 WeakPolarHBondContact O-CB 3.22Å; L673-F677 PolarHBondContact O-N 3.46Å; F674-F677 PolarHBondContact O-N 2.89Å; F677-V679 VanDerWaalsContact C-N 3.29Å; F677-V679 PolarHBondContact O-N 2.82Å; F677-L680 PolarHBondContact O-N 2.64Å; F677-D681 HydrophobicContact CD1-CB 4.17Å; F677-D681 HydrophobicContact CE1-CB 3.88Å; F677-D681 WeakPolarHBondContact O-CB 3.41Å; F677-D681 PolarHBondContact O-N 3.02Å; F677-I688 HydrophobicContact CD2-CD1 3.88Å; F677-I688 HydrophobicContact CD2-CG1 4.21Å; F677-I688 HydrophobicContact CD2-CG2 4.01Å; F677-I688 HydrophobicContact CE1-CG2 4.4Å; F677-I688 HydrophobicContact CE2-CB 4.42Å; F677-I688 HydrophobicContact CE2-CD1 4.12Å; F677-I688 HydrophobicContact CE2-CG1 3.93Å; F677-I688 HydrophobicContact CE2-CG2 3.79Å; F677-I688 HydrophobicContact CG-CG2 4.43Å; F677-I688 HydrophobicContact CZ-CG2 3.99Å
678E91Very high91.7Very high97 Ų9765.6 Ų65.645%0.45337%0.369SS..Hα-helixtrans-59-37.7178-74.1179.1-172.500112.9F674 L680F674-E678 WeakPolarHBondContact O-CG 3.27Å; F674-E678 PolarHBondContact O-N 2.91Å; E678-L680 VanDerWaalsContact C-N 3.29Å; E678-L680 PolarHBondContact O-N 3.15Å
679V89.5Confident91.6Very high105 Ų10574.5 Ų74.564%0.63641%0.41SS*.Hα-helixtrans-67.6-32.1177.2167.80000111.9N675 T676 F677N675-V679 WeakPolarHBondContact O-CB 3.18Å; N675-V679 WeakPolarHBondContact O-CG2 3.47Å; N675-V679 PolarHBondContact O-N 2.82Å; T676-V679 PolarHBondContact O-N 3.37Å; F677-V679 VanDerWaalsContact C-N 3.29Å; F677-V679 PolarHBondContact O-N 2.82Å
680L91.5Very high91.6Very high77 Ų7774.5 Ų74.540%0.40341%0.414SS..Hα-helixtrans-86.4-34.4-178.4-67.3171.6000112.6T676 F677 E678 K682 I688 L690T676-L680 HydrophobicContact CG2-CD1 3.97Å; T676-L680 VanDerWaalsContact O-CG 3.28Å; T676-L680 WeakPolarHBondContact O-CG 3.36Å; T676-L680 PolarHBondContact O-N 2.86Å; F677-L680 PolarHBondContact O-N 2.64Å; E678-L680 VanDerWaalsContact C-N 3.29Å; E678-L680 PolarHBondContact O-N 3.15Å; L680-K682 VanDerWaalsContact C-N 3.29Å; L680-K682 PolarHBondContact O-N 2.79Å; L680-I688 HydrophobicContact CB-CB 4.41Å; L680-I688 HydrophobicContact CB-CG2 3.81Å; L680-I688 HydrophobicContact CD1-CD1 4.09Å; L680-L690 HydrophobicContact CD1-CD2 4.15Å
681D93.5Very high91.6Very high24 Ų2477.4 Ų77.413%0.12843%0.43CS..  trans-81.765.2178.4-172.223.1000112.2F677 D683 G684 S685 G686 I688F677-D681 HydrophobicContact CD1-CB 4.17Å; F677-D681 HydrophobicContact CE1-CB 3.88Å; F677-D681 WeakPolarHBondContact O-CB 3.41Å; F677-D681 PolarHBondContact O-N 3.02Å; D681-D683 PolarHBondContact O-N 3Å; D681-D683 VanDerWaalsContact OD1-OD1 3.06Å; D681-G684 PolarHBondContact O-N 3.31Å; D681-G684 PolarHBondContact OD1-N 2.97Å; D681-G684 WeakPolarHBondContact OD2-CA 3.45Å; D681-S685 PolarHBondContact OD1-N 2.87Å; D681-S685 PolarHBondContact OD1-OG 2.73Å; D681-S685 PolarHBondContact OD2-N 3.09Å; D681-G686 WeakPolarHBondContact OD2-CA 3.28Å; D681-G686 PolarHBondContact OD2-N 3.09Å; D681-I688 HydrophobicContact CB-CG2 3.98Å
682K88.5Confident91.6Very high192 Ų19283.8 Ų83.884%0.83546%0.458SS*.THydrogen-bonded Turntrans-65.4-23.5-172.5-66.4-176.7-178.2175.40114.6L680L680-K682 VanDerWaalsContact C-N 3.29Å; L680-K682 PolarHBondContact O-N 2.79Å
683D90.4Very high91.7Very high131 Ų13187.8 Ų87.870%0.70148%0.476SS*.THydrogen-bonded Turntrans-99.4-2.3-179.464-14000113.1D681 S685D681-D683 PolarHBondContact O-N 3Å; D681-D683 VanDerWaalsContact OD1-OD1 3.06Å; D683-S685 PolarHBondContact O-N 2.81Å; D683-S685 VanDerWaalsContact OD1-CB 3.3Å; D683-S685 WeakPolarHBondContact OD1-CB 3.09Å; D683-S685 PolarHBondContact OD1-N 3.34Å; D683-S685 PolarHBondContact OD1-OG 3.05Å
684G88.3Confident91.6Very high61 Ų6187.6 Ų87.663%0.62947%0.472SS*.  trans64.332.1-178.200000112.1D681 G686D681-G684 PolarHBondContact O-N 3.31Å; D681-G684 PolarHBondContact OD1-N 2.97Å; D681-G684 WeakPolarHBondContact OD2-CA 3.45Å; G684-G686 PolarHBondContact O-N 3.47Å
685S89.8Confident91.6Very high58 Ų5892.9 Ų92.941%0.40649%0.492SS..  trans-71.3-18.5-179.668.20000112.6D681 D683 T687D681-S685 PolarHBondContact OD1-N 2.87Å; D681-S685 PolarHBondContact OD1-OG 2.73Å; D681-S685 PolarHBondContact OD2-N 3.09Å; D683-S685 PolarHBondContact O-N 2.81Å; D683-S685 VanDerWaalsContact OD1-CB 3.3Å; D683-S685 WeakPolarHBondContact OD1-CB 3.09Å; D683-S685 PolarHBondContact OD1-N 3.34Å; D683-S685 PolarHBondContact OD1-OG 3.05Å; S685-T687 PolarHBondContact OG-N 3.33Å; S685-T687 VanDerWaalsContact OG-N 3.09Å; S685-T687 PolarHBondContact OG-O 2.99Å; S685-T687 PolarHBondContact OG-OG1 3.38Å
686G89.6Confident91.6Very high51 Ų5193.7 Ų93.753%0.52650%0.495SS..SBendtrans76.213.2-169.400000112.9D681 G684D681-G686 WeakPolarHBondContact OD2-CA 3.28Å; D681-G686 PolarHBondContact OD2-N 3.09Å; G684-G686 PolarHBondContact O-N 3.47Å
687T91.6Very high91.4Very high95 Ų9595.9 Ų95.958%0.58351%0.505SS*.  trans-139.2150.4178.560.30000111.5S685S685-T687 PolarHBondContact OG-N 3.33Å; S685-T687 VanDerWaalsContact OG-N 3.09Å; S685-T687 PolarHBondContact OG-O 2.99Å; S685-T687 PolarHBondContact OG-OG1 3.38Å
688I94.1Very high91Very high58 Ų5893.7 Ų93.730%0.29750%0.501SS..  trans-127.3144.217563.1173.2000110.2F677 L680 D681 L690F677-I688 HydrophobicContact CD2-CD1 3.88Å; F677-I688 HydrophobicContact CD2-CG1 4.21Å; F677-I688 HydrophobicContact CD2-CG2 4.01Å; F677-I688 HydrophobicContact CE1-CG2 4.4Å; F677-I688 HydrophobicContact CE2-CB 4.42Å; F677-I688 HydrophobicContact CE2-CD1 4.12Å; F677-I688 HydrophobicContact CE2-CG1 3.93Å; F677-I688 HydrophobicContact CE2-CG2 3.79Å; F677-I688 HydrophobicContact CG-CG2 4.43Å; F677-I688 HydrophobicContact CZ-CG2 3.99Å; L680-I688 HydrophobicContact CB-CB 4.41Å; L680-I688 HydrophobicContact CB-CG2 3.81Å; L680-I688 HydrophobicContact CD1-CD1 4.09Å; D681-I688 HydrophobicContact CB-CG2 3.98Å; I688-L690 HydrophobicContact CD1-CD1 3.88Å; I688-L690 HydrophobicContact CD1-CG 4.25Å
689E92.4Very high90.7Very high187 Ų18791.6 Ų91.687%0.87450%0.495SS*.  trans-104.7125.7173.1-66.2-172.317000109.5
690L93.8Very high90.2Very high56 Ų5694.2 Ų94.229%0.29350%0.502SS..  trans-131130177.5-62.9173.6000109.1L680 I688 E694 W695L680-L690 HydrophobicContact CD1-CD2 4.15Å; I688-L690 HydrophobicContact CD1-CD1 3.88Å; I688-L690 HydrophobicContact CD1-CG 4.25Å; L690-E694 HydrophobicContact CB-CB 4.23Å; L690-E694 HydrophobicContact CD2-CB 3.88Å; L690-W695 HydrophobicContact CB-CB 4.42Å; L690-W695 HydrophobicContact CD1-CE3 4.1Å
691N95Very high88.8Confident83 Ų8396.4 Ų96.444%0.44451%0.513SS..  trans-73.7171.2164.273.852.2000110.7M693 E694 W695N691-M693 VanDerWaalsContact C-N 3.3Å; N691-M693 PolarHBondContact O-N 3.44Å; N691-M693 WeakPolarHBondContact OD1-CA 3.38Å; N691-M693 WeakPolarHBondContact OD1-CB 3.38Å; N691-M693 PolarHBondContact OD1-N 3.05Å; N691-E694 VanDerWaalsContact CG-CD 3.47Å; N691-E694 PolarHBondContact N-OE2 2.83Å; N691-E694 PolarHBondContact ND2-OE1 3.5Å; N691-E694 VanDerWaalsContact ND2-OE1 3.12Å; N691-E694 PolarHBondContact ND2-OE2 2.7Å; N691-E694 PolarHBondContact O-N 2.82Å; N691-E694 PolarHBondContact OD1-N 2.52Å; N691-W695 WeakPolarHBondContact O-CB 3.33Å; N691-W695 PolarHBondContact O-N 3.48Å
692F93.1Very high88.6Confident149 Ų149100 Ų10065%0.65453%0.533SS*.Hα-helixtrans-58.8-38.6-176-178.7-113.5000113.7L696F692-L696 HydrophobicContact CD1-CD1 4.05Å; F692-L696 HydrophobicContact CE1-CD1 3.5Å; F692-L696 HydrophobicContact CE1-CG 4.3Å; F692-L696 HydrophobicContact CE2-CD1 4.29Å; F692-L696 HydrophobicContact CE2-CD2 4.44Å; F692-L696 HydrophobicContact CE2-CG 4.25Å; F692-L696 HydrophobicContact CZ-CD1 3.64Å; F692-L696 HydrophobicContact CZ-CD2 4.32Å; F692-L696 HydrophobicContact CZ-CG 4.09Å; F692-L696 WeakPolarHBondContact O-CG 3.3Å; F692-L696 PolarHBondContact O-N 2.99Å
693M93.8Very high88.6Confident114 Ų11495.2 Ų95.256%0.56252%0.517SS*.Hα-helixtrans-71.3-40.7179-70.6-61.3-60.500111.7N691 L696 N697N691-M693 VanDerWaalsContact C-N 3.3Å; N691-M693 PolarHBondContact O-N 3.44Å; N691-M693 WeakPolarHBondContact OD1-CA 3.38Å; N691-M693 WeakPolarHBondContact OD1-CB 3.38Å; N691-M693 PolarHBondContact OD1-N 3.05Å; M693-L696 PolarHBondContact O-N 2.76Å; M693-N697 VanDerWaalsContact O-CG 3.27Å; M693-N697 PolarHBondContact O-N 3.41Å; M693-N697 PolarHBondContact O-ND2 3.36Å
694E92Very high88.5Confident89 Ų8993.2 Ų93.242%0.41651%0.506SS..Hα-helixtrans-63.9-42.1175.9-69.4163.1169.900111.3L690 N691 N697 A698L690-E694 HydrophobicContact CB-CB 4.23Å; L690-E694 HydrophobicContact CD2-CB 3.88Å; N691-E694 VanDerWaalsContact CG-CD 3.47Å; N691-E694 PolarHBondContact N-OE2 2.83Å; N691-E694 PolarHBondContact ND2-OE1 3.5Å; N691-E694 VanDerWaalsContact ND2-OE1 3.12Å; N691-E694 PolarHBondContact ND2-OE2 2.7Å; N691-E694 PolarHBondContact O-N 2.82Å; N691-E694 PolarHBondContact OD1-N 2.52Å; E694-N697 PolarHBondContact O-N 3.07Å; E694-A698 WeakPolarHBondContact O-CB 3.35Å; E694-A698 PolarHBondContact O-N 3.21Å
695W91.9Very high88.5Confident142 Ų14295.1 Ų95.154%0.53850%0.499SS..Hα-helixtrans-59.5-46.3173.2170.6-107.1000112.3L690 N691 N697 A698 T699L690-W695 HydrophobicContact CB-CB 4.42Å; L690-W695 HydrophobicContact CD1-CE3 4.1Å; N691-W695 WeakPolarHBondContact O-CB 3.33Å; N691-W695 PolarHBondContact O-N 3.48Å; W695-N697 PolarHBondContact O-N 3.09Å; W695-A698 PolarHBondContact O-N 3.13Å; W695-T699 HydrophobicContact CD2-CG2 3.76Å; W695-T699 HydrophobicContact CE3-CG2 3.79Å; W695-T699 HydrophobicContact CH2-CG2 3.52Å; W695-T699 HydrophobicContact CZ2-CG2 3.47Å; W695-T699 VanDerWaalsContact CZ2-CG2 3.47Å; W695-T699 HydrophobicContact CZ3-CG2 3.67Å; W695-T699 WeakPolarHBondContact O-CB 3.35Å; W695-T699 WeakPolarHBondContact O-CG2 3.5Å; W695-T699 PolarHBondContact O-N 3.39Å; W695-T699 PolarHBondContact O-OG1 3.5Å
696L91.1Very high88.4Confident65 Ų6597.4 Ų97.434%0.3451%0.505SS..Hα-helixtrans-61.8-43.6176.6-74.7178.8000111.7F692 M693 T699 M700F692-L696 HydrophobicContact CD1-CD1 4.05Å; F692-L696 HydrophobicContact CE1-CD1 3.5Å; F692-L696 HydrophobicContact CE1-CG 4.3Å; F692-L696 HydrophobicContact CE2-CD1 4.29Å; F692-L696 HydrophobicContact CE2-CD2 4.44Å; F692-L696 HydrophobicContact CE2-CG 4.25Å; F692-L696 HydrophobicContact CZ-CD1 3.64Å; F692-L696 HydrophobicContact CZ-CD2 4.32Å; F692-L696 HydrophobicContact CZ-CG 4.09Å; F692-L696 WeakPolarHBondContact O-CG 3.3Å; F692-L696 PolarHBondContact O-N 2.99Å; M693-L696 PolarHBondContact O-N 2.76Å; L696-T699 PolarHBondContact O-N 2.86Å; L696-T699 PolarHBondContact O-OG1 2.84Å; L696-M700 VanDerWaalsContact O-CB 3.28Å; L696-M700 WeakPolarHBondContact O-CB 3.35Å; L696-M700 WeakPolarHBondContact O-CG 3.41Å; L696-M700 PolarHBondContact O-N 3.19Å; L696-M700 VanDerWaalsContact O-N 3.1Å
697N85Confident88.4Confident104 Ų104100.5 Ų100.556%0.55650%0.504SS*.Hα-helixtrans-62.3-47.1177.1-71.3-19.2000111.2M693 E694 W695 T699 L701M693-N697 VanDerWaalsContact O-CG 3.27Å; M693-N697 PolarHBondContact O-N 3.41Å; M693-N697 PolarHBondContact O-ND2 3.36Å; E694-N697 PolarHBondContact O-N 3.07Å; W695-N697 PolarHBondContact O-N 3.09Å; N697-T699 VanDerWaalsContact C-N 3.3Å; N697-T699 PolarHBondContact O-N 3.01Å; N697-L701 WeakPolarHBondContact O-CD1 3.24Å; N697-L701 VanDerWaalsContact O-CG 3.29Å; N697-L701 WeakPolarHBondContact O-CG 3.35Å; N697-L701 PolarHBondContact O-N 3.19Å
698A85.1Confident88.1Confident30 Ų30100.9 Ų100.925%0.24850%0.498CS..Hα-helixtrans-65.3-30.8-179.200000113.5E694 W695E694-A698 WeakPolarHBondContact O-CB 3.35Å; E694-A698 PolarHBondContact O-N 3.21Å; W695-A698 PolarHBondContact O-N 3.13Å
699T84.7Confident87.7Confident53 Ų53104.2 Ų104.233%0.32551%0.514SS..Hα-helixtrans-90.4-19.1-176.951.30000114.8W695 L696 N697W695-T699 HydrophobicContact CD2-CG2 3.76Å; W695-T699 HydrophobicContact CE3-CG2 3.79Å; W695-T699 HydrophobicContact CH2-CG2 3.52Å; W695-T699 HydrophobicContact CZ2-CG2 3.47Å; W695-T699 VanDerWaalsContact CZ2-CG2 3.47Å; W695-T699 HydrophobicContact CZ3-CG2 3.67Å; W695-T699 WeakPolarHBondContact O-CB 3.35Å; W695-T699 WeakPolarHBondContact O-CG2 3.5Å; W695-T699 PolarHBondContact O-N 3.39Å; W695-T699 PolarHBondContact O-OG1 3.5Å; L696-T699 PolarHBondContact O-N 2.86Å; L696-T699 PolarHBondContact O-OG1 2.84Å; N697-T699 VanDerWaalsContact C-N 3.3Å; N697-T699 PolarHBondContact O-N 3.01Å
700M79.4Confident87.3Confident160 Ų16097.3 Ų97.379%0.78848%0.484SS*.Hα-helixtrans-91.6-13.4178.1-70.5-69.2-64.200113.5L696L696-M700 VanDerWaalsContact O-CB 3.28Å; L696-M700 WeakPolarHBondContact O-CB 3.35Å; L696-M700 WeakPolarHBondContact O-CG 3.41Å; L696-M700 PolarHBondContact O-N 3.19Å; L696-M700 VanDerWaalsContact O-N 3.1Å
701L62.6Low86.7Confident122 Ų122101 Ų10164%0.63950%0.501SS*.  trans-690162.2-67.6165.8000110.2N583 N697N583-L701 PolarHBondContact ND2-O 3.15Å; N697-L701 WeakPolarHBondContact O-CD1 3.24Å; N697-L701 VanDerWaalsContact O-CG 3.29Å; N697-L701 WeakPolarHBondContact O-CG 3.35Å; N697-L701 PolarHBondContact O-N 3.19Å

Retrieved 701 of 701 residues in 1739.7 ms (Link to these results)

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