A0A3B3U5R8_9TELE Loading...

Dual specificity protein phosphatase

Dual specificity protein phosphatase; active with phosphotyrosine, phosphoserine and phosphothreonine residues. The highest relative activity is toward ERK1.

AlphaFold DB , UniProt , Accession A0A3B3U5R8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 376 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
1M59.5Low89.7Confident104 Ų10471.5 Ų71.551%0.51233%0.331SS..  0152.40-171.2-178.4-92.100109.7S113 A115 I117M1-S113 WeakPolarHBondContact CE-O 3.1Å; M1-A115 WeakPolarHBondContact CE-O 3.15Å; M1-I117 HydrophobicContact CB-CD1 4.49Å; M1-I117 HydrophobicContact CG-CD1 4.3Å; M1-I117 HydrophobicContact SD-CD1 3.36Å; M1-I117 WeakPolarHBondContact SD-CD1 3.42Å; M1-I117 HydrophobicContact SD-CG1 3.58Å; M1-I117 VanDerWaalsContact SD-CG1 3.58Å
2K79.4Confident90Very high193 Ų19369.3 Ų69.384%0.83932%0.319SS*.  trans-93.5109-176.9-169.5175.5-175.1176.70111.4
3V89.4Confident90.1Very high19 Ų1971.9 Ų71.912%0.11533%0.33CS..  trans-69.1128.4174.6-176.40000109.6W92 I105 S109 I117V3-W92 HydrophobicContact CB-CD2 4.47Å; V3-W92 HydrophobicContact CB-CZ2 4.28Å; V3-W92 HydrophobicContact CG1-CD2 4.01Å; V3-W92 HydrophobicContact CG1-CG 3.96Å; V3-I105 HydrophobicContact CG1-CG2 4.15Å; V3-I105 HydrophobicContact CG2-CG2 3.73Å; V3-S109 WeakPolarHBondContact CG2-OG 3.23Å; V3-I117 HydrophobicContact CG1-CG2 4.25Å; V3-I117 HydrophobicContact CG2-CG2 4.3Å
4S93.8Very high90.1Very high51 Ų5167.4 Ų67.436%0.35731%0.309SS..EExtended strand (participates in β ladder)trans-114.1170178.969.80000111.6I117 C118 F119S4-I117 PolarHBondContact N-O 3.43Å; S4-I117 PolarHBondContact OG-O 3.36Å; S4-I117 VanDerWaalsContact OG-O 3.05Å; S4-C118 CarbonylContact O-C 3.48Å; S4-C118 WeakPolarHBondContact O-CA 3.15Å; S4-C118 PolarHBondContact OG-SG 3.37Å; S4-F119 PolarHBondContact O-N 3.01Å
5S94.3Very high90Very high30 Ų3065.2 Ų65.221%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-120124179.5-61.60000110.4H91 F119S5-H91 PolarHBondContact OG-CD2 3.11Å; S5-H91 PolarHBondContact OG-CE1 2.68Å; S5-H91 PolarHBondContact OG-NE2 3.41Å; S5-F119 CarbonylContact C-O 3.44Å; S5-F119 WeakPolarHBondContact CA-O 3.47Å
6I95.4Very high89.8Confident12 Ų1270.6 Ų70.66%0.06232%0.317CS..EExtended strand (participates in β ladder)trans-104.1143-177.6-168.9172.3000110.4R10 L11 I14 V83 C118 F119 L120 K121I6-R10 HydrophobicContact CD1-CB 4.08Å; I6-R10 HydrophobicContact CD1-CG 3.72Å; I6-R10 HydrophobicContact CG1-CB 3.71Å; I6-R10 HydrophobicContact CG1-CG 3.74Å; I6-L11 HydrophobicContact CD1-CB 4.18Å; I6-I14 HydrophobicContact CD1-CD1 3.5Å; I6-V83 HydrophobicContact CD1-CG2 4.4Å; I6-V83 HydrophobicContact CG2-CG1 3.86Å; I6-C118 HydrophobicContact CB-CB 4.1Å; I6-C118 HydrophobicContact CG2-CB 3.9Å; I6-F119 PolarHBondContact N-O 2.88Å; I6-L120 HydrophobicContact CG2-CB 4.43Å; I6-L120 HydrophobicContact CG2-CD1 4.29Å; I6-K121 WeakPolarHBondContact O-CG 3.32Å; I6-K121 PolarHBondContact O-N 2.95Å
7D96.4Very high89.2Confident72 Ų7275.9 Ų75.939%0.38534%0.34SS..  trans-93166.1172.766.930.7000112.2R9 R10 L11D7-R9 VanDerWaalsContact C-N 3.25Å; D7-R9 PolarHBondContact O-N 3.45Å; D7-R9 WeakPolarHBondContact OD1-CB 3.28Å; D7-R9 PolarHBondContact OD1-N 2.96Å; D7-R10 PolarHBondContact O-N 3.47Å; D7-R10 WeakPolarHBondContact OD1-CB 3.35Å; D7-R10 PolarHBondContact OD1-N 3.02Å; D7-L11 PolarHBondContact O-N 3.33Å
8C95.3Very high88.1Confident2 Ų274.9 Ų74.91%0.01434%0.336CS..Hα-helixtrans-60.6-36-178.4-53.50000112L11 K12 N126 F127 Y131C8-L11 PolarHBondContact O-N 2.81Å; C8-K12 WeakPolarHBondContact O-CB 2.91Å; C8-K12 PolarHBondContact O-N 3.29Å; C8-N126 PolarHBondContact SG-ND2 3.18Å; C8-N126 VanDerWaalsContact SG-ND2 3.44Å; C8-F127 HydrophobicContact CB-CD2 3.72Å; C8-F127 HydrophobicContact CB-CE2 4.39Å; C8-Y131 HydrophobicContact CB-CD2 4.09Å; C8-Y131 HydrophobicContact CB-CE2 3.73Å; C8-Y131 WeakPolarHBondContact O-CE2 3.32Å
9R95.1Very high86.8Confident181 Ų18177.5 Ų77.568%0.68336%0.363SS*.Hα-helixtrans-62.9-44.6179.5-71.2173.8-179.3-165.50.1111.4D7 K13 Y131D7-R9 VanDerWaalsContact C-N 3.25Å; D7-R9 PolarHBondContact O-N 3.45Å; D7-R9 WeakPolarHBondContact OD1-CB 3.28Å; D7-R9 PolarHBondContact OD1-N 2.96Å; R9-K13 PolarHBondContact O-N 3.06Å; R9-K13 VanDerWaalsContact O-N 3.15Å; R9-Y131 VanDerWaalsContact CG-OH 3.27Å; R9-Y131 WeakPolarHBondContact CG-OH 3.31Å
10R93.8Very high86Confident123 Ų12375.8 Ų75.846%0.46437%0.367SS..Hα-helixtrans-70.4-42.1177.6-175.870.2-162.4-150.45.9111I6 D7 K12 K13 I14 E18I6-R10 HydrophobicContact CD1-CB 4.08Å; I6-R10 HydrophobicContact CD1-CG 3.72Å; I6-R10 HydrophobicContact CG1-CB 3.71Å; I6-R10 HydrophobicContact CG1-CG 3.74Å; D7-R10 PolarHBondContact O-N 3.47Å; D7-R10 WeakPolarHBondContact OD1-CB 3.35Å; D7-R10 PolarHBondContact OD1-N 3.02Å; R10-K12 PolarHBondContact O-N 3.13Å; R10-K13 WeakPolarHBondContact O-CB 3.32Å; R10-K13 PolarHBondContact O-N 2.89Å; R10-K13 VanDerWaalsContact O-N 3.1Å; R10-I14 HydrophobicContact CG-CD1 4.43Å; R10-I14 WeakPolarHBondContact O-CG1 3.35Å; R10-I14 PolarHBondContact O-N 2.82Å; R10-E18 IonicContact NH2-OE1 3.86Å
11L94.2Very high86Confident0 Ų073.9 Ų73.90%036%0.361CS..Hα-helixtrans-60.4-43.6175.417956.3000111.7I6 D7 C8 K13 I14 I15 I24 I38 V83 L120 F127I6-L11 HydrophobicContact CD1-CB 4.18Å; D7-L11 PolarHBondContact O-N 3.33Å; C8-L11 PolarHBondContact O-N 2.81Å; L11-K13 VanDerWaalsContact C-N 3.3Å; L11-K13 PolarHBondContact O-N 2.94Å; L11-I14 PolarHBondContact O-N 3.44Å; L11-I14 VanDerWaalsContact O-N 3.15Å; L11-I15 HydrophobicContact CD1-CD1 4.04Å; L11-I15 HydrophobicContact CD1-CG1 4.18Å; L11-I15 HydrophobicContact CG-CD1 3.86Å; L11-I15 HydrophobicContact CG-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.11Å; L11-I15 PolarHBondContact O-N 2.91Å; L11-I24 HydrophobicContact CD1-CD1 3.99Å; L11-I24 HydrophobicContact CD1-CG1 4.37Å; L11-I38 HydrophobicContact CD2-CD1 3.86Å; L11-V83 HydrophobicContact CD1-CB 4.47Å; L11-V83 HydrophobicContact CD1-CG1 4.21Å; L11-V83 HydrophobicContact CD1-CG2 4.2Å; L11-V83 HydrophobicContact CD2-CG1 4.31Å; L11-L120 HydrophobicContact CB-CD1 4.29Å; L11-L120 HydrophobicContact CD2-CD1 3.72Å; L11-L120 HydrophobicContact CD2-CD2 3.63Å; L11-L120 HydrophobicContact CD2-CG 4.23Å; L11-F127 HydrophobicContact CB-CD2 4.41Å; L11-F127 HydrophobicContact CB-CE2 3.92Å; L11-F127 HydrophobicContact CD2-CD2 3.83Å; L11-F127 HydrophobicContact CD2-CE2 3.73Å; L11-F127 HydrophobicContact CD2-CZ 4.37Å; L11-F127 HydrophobicContact CG-CD2 4.31Å; L11-F127 HydrophobicContact CG-CE2 3.74Å; L11-F127 HydrophobicContact CG-CZ 4.34Å
12K93.9Very high87.4Confident44 Ų4469.9 Ų69.919%0.19134%0.343CS..Hα-helixtrans-56.3-40.4171.7164.1154.4180162.60113.2C8 R10 R16 Y131 E133 L134C8-K12 WeakPolarHBondContact O-CB 2.91Å; C8-K12 PolarHBondContact O-N 3.29Å; R10-K12 PolarHBondContact O-N 3.13Å; K12-R16 WeakPolarHBondContact O-CG 3.35Å; K12-R16 PolarHBondContact O-N 3.45Å; K12-Y131 HydrophobicContact CB-CD2 3.98Å; K12-Y131 HydrophobicContact CB-CE2 4.03Å; K12-Y131 HydrophobicContact CB-CG 4.45Å; K12-Y131 HydrophobicContact CD-CD1 3.31Å; K12-Y131 HydrophobicContact CD-CD2 3.82Å; K12-Y131 HydrophobicContact CD-CE1 3.42Å; K12-Y131 VanDerWaalsContact CD-CE1 3.42Å; K12-Y131 HydrophobicContact CD-CE2 3.88Å; K12-Y131 HydrophobicContact CD-CG 3.55Å; K12-E133 WeakPolarHBondContact CE-OE1 3.41Å; K12-E133 IonicContact NZ-OE1 3.57Å; K12-E133 PolarHBondContact NZ-OE1 3.26Å; K12-E133 IonicContact NZ-OE2 2.72Å; K12-L134 HydrophobicContact CB-CD1 3.74Å; K12-L134 HydrophobicContact CD-CD1 3.77Å; K12-L134 HydrophobicContact CG-CD1 3.61Å
13K91.3Very high88.1Confident104 Ų10461 Ų6145%0.45231%0.305SS..Hα-helixtrans-65.1-41.7176.3-175178175.4179.80111.6R9 R10 L11 R16 K17R9-K13 PolarHBondContact O-N 3.06Å; R9-K13 VanDerWaalsContact O-N 3.15Å; R10-K13 WeakPolarHBondContact O-CB 3.32Å; R10-K13 PolarHBondContact O-N 2.89Å; R10-K13 VanDerWaalsContact O-N 3.1Å; L11-K13 VanDerWaalsContact C-N 3.3Å; L11-K13 PolarHBondContact O-N 2.94Å; K13-R16 PolarHBondContact O-N 3.14Å; K13-K17 HydrophobicContact CG-CD 4.29Å; K13-K17 WeakPolarHBondContact O-CB 3.5Å; K13-K17 PolarHBondContact O-N 3.02Å
14I89.5Confident88.4Confident8 Ų860.6 Ų60.64%0.04130%0.302CS..Hα-helixtrans-62.9-53.1176.7-65.8175.6000110.1I6 R10 L11 R16 K17 E18 C22I6-I14 HydrophobicContact CD1-CD1 3.5Å; R10-I14 HydrophobicContact CG-CD1 4.43Å; R10-I14 WeakPolarHBondContact O-CG1 3.35Å; R10-I14 PolarHBondContact O-N 2.82Å; L11-I14 PolarHBondContact O-N 3.44Å; L11-I14 VanDerWaalsContact O-N 3.15Å; I14-R16 PolarHBondContact O-N 3.44Å; I14-R16 VanDerWaalsContact O-N 3.12Å; I14-K17 PolarHBondContact O-N 3.13Å; I14-K17 VanDerWaalsContact O-N 3.14Å; I14-E18 HydrophobicContact CG2-CB 4.03Å; I14-E18 WeakPolarHBondContact O-CA 3.31Å; I14-E18 WeakPolarHBondContact O-CB 3.44Å; I14-E18 PolarHBondContact O-N 3.11Å; I14-C22 HydrophobicContact CG2-CB 3.38Å
15I88.8Confident88.5Confident35 Ų3558.1 Ų58.118%0.17929%0.285CS..Hα-helixtrans-53.4-38.7179.3-67.6163.1000112.1L11 I24 I38 F127 L134L11-I15 HydrophobicContact CD1-CD1 4.04Å; L11-I15 HydrophobicContact CD1-CG1 4.18Å; L11-I15 HydrophobicContact CG-CD1 3.86Å; L11-I15 HydrophobicContact CG-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.11Å; L11-I15 PolarHBondContact O-N 2.91Å; I15-I24 HydrophobicContact CD1-CD1 4.01Å; I15-I24 HydrophobicContact CG1-CD1 3.88Å; I15-I38 HydrophobicContact CD1-CG2 3.57Å; I15-F127 HydrophobicContact CD1-CE2 4.48Å; I15-F127 HydrophobicContact CD1-CZ 3.79Å; I15-L134 HydrophobicContact CD1-CD1 4.48Å; I15-L134 HydrophobicContact CG2-CD2 4.26Å
16R86.4Confident88.6Confident151 Ų15156.7 Ų56.757%0.5728%0.275SS*.Hα-helixtrans-85.9-19.4-178.1-69.8-174.5178.4-160.9-0.7115.6K12 K13 I14 E133 L134K12-R16 WeakPolarHBondContact O-CG 3.35Å; K12-R16 PolarHBondContact O-N 3.45Å; K13-R16 PolarHBondContact O-N 3.14Å; I14-R16 PolarHBondContact O-N 3.44Å; I14-R16 VanDerWaalsContact O-N 3.12Å; R16-E133 IonicContact CZ-OE1 3.54Å; R16-E133 IonicContact NH2-OE1 3.48Å; R16-E133 PolarHBondContact NH2-OE1 3.46Å; R16-L134 HydrophobicContact CG-CD2 4.48Å
17K79.4Confident88.7Confident161 Ų16156.6 Ų56.670%0.728%0.275SS*.Hα-helixtrans-124-21.8-172.2-63.6-161173.7-151.30115.2K13 I14K13-K17 HydrophobicContact CG-CD 4.29Å; K13-K17 WeakPolarHBondContact O-CB 3.5Å; K13-K17 PolarHBondContact O-N 3.02Å; I14-K17 PolarHBondContact O-N 3.13Å; I14-K17 VanDerWaalsContact O-N 3.14Å
18E70Confident88.6Confident59 Ų5953.6 Ų53.628%0.27626%0.258SS..  trans-121.138.9-172.8-67.1168.5-148.600109.3R10 I14 G20 S21R10-E18 IonicContact NH2-OE1 3.86Å; I14-E18 HydrophobicContact CG2-CB 4.03Å; I14-E18 WeakPolarHBondContact O-CA 3.31Å; I14-E18 WeakPolarHBondContact O-CB 3.44Å; I14-E18 PolarHBondContact O-N 3.11Å; E18-G20 PolarHBondContact O-N 2.64Å; E18-S21 PolarHBondContact O-N 3.18Å; E18-S21 PolarHBondContact O-OG 3.16Å
19C63.7Low88.2Confident124 Ų12457.4 Ų57.484%0.83828%0.282SS*.THydrogen-bonded Turntrans-66.5102.1-179.5-169.60000109.6
20G70.2Confident87.7Confident43 Ų4355 Ų5544%0.44327%0.274SS..THydrogen-bonded Turntrans117.3-11.1-178.800000115.8E18 R73E18-G20 PolarHBondContact O-N 2.64Å; G20-R73 PolarHBondContact O-NH2 3.47Å
21S85.3Confident87.2Confident35 Ų3555.2 Ų55.225%0.24528%0.279CS..THydrogen-bonded Turntrans-110.9-8.1174.364.50000114.4E18 I79 S80 A81E18-S21 PolarHBondContact O-N 3.18Å; E18-S21 PolarHBondContact O-OG 3.16Å; S21-I79 CarbonylContact O-C 3.59Å; S21-I79 WeakPolarHBondContact O-CA 3.38Å; S21-S80 PolarHBondContact O-N 3.47Å; S21-S80 PolarHBondContact O-OG 2.89Å; S21-A81 PolarHBondContact O-N 3.11Å
22C90.5Very high86.8Confident21 Ų2157 Ų5714%0.14229%0.292CS..EExtended strand (participates in β ladder)trans-105.7145.1171.7-171.30000111.6I14 A81I14-C22 HydrophobicContact CG2-CB 3.38Å; C22-A81 WeakPolarHBondContact CA-O 3.48Å
23L93.1Very high86.5Confident6 Ų656.6 Ų56.63%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-115.5133.6165.9-178.964.4000109.6V25 V42 I65 A70 I79 A81 I82 V83L23-V25 HydrophobicContact CD2-CG2 4.17Å; L23-V25 HydrophobicContact CG-CG2 4.12Å; L23-V42 HydrophobicContact CD1-CG1 4.37Å; L23-V42 HydrophobicContact CD1-CG2 4Å; L23-I65 HydrophobicContact CD2-CD1 3.6Å; L23-I65 HydrophobicContact CD2-CG1 4.03Å; L23-I65 HydrophobicContact CD2-CG2 4.1Å; L23-A70 HydrophobicContact CD1-CB 3.9Å; L23-A70 HydrophobicContact CD2-CB 4.3Å; L23-I79 HydrophobicContact CB-CD1 4.1Å; L23-I79 HydrophobicContact CB-CG2 4.09Å; L23-I79 HydrophobicContact CD2-CD1 4.31Å; L23-A81 PolarHBondContact N-O 2.91Å; L23-I82 CarbonylContact O-C 3.54Å; L23-I82 WeakPolarHBondContact O-CA 3.23Å; L23-V83 PolarHBondContact O-N 2.97Å
24I95.2Very high86.3Confident10 Ų1053.9 Ų53.95%0.05128%0.282CS..EExtended strand (participates in β ladder)trans-110.4121.3177.4-51.3174.7000107.9L11 I15 I38 S41 V42 V83 L85L11-I24 HydrophobicContact CD1-CD1 3.99Å; L11-I24 HydrophobicContact CD1-CG1 4.37Å; I15-I24 HydrophobicContact CD1-CD1 4.01Å; I15-I24 HydrophobicContact CG1-CD1 3.88Å; I24-I38 HydrophobicContact CD1-CG2 3.85Å; I24-S41 CarbonylContact O-C 3.56Å; I24-S41 VanDerWaalsContact O-CA 3.25Å; I24-S41 WeakPolarHBondContact O-CA 3.47Å; I24-S41 WeakPolarHBondContact O-CB 3.44Å; I24-V42 PolarHBondContact O-N 3.45Å; I24-V83 CarbonylContact C-O 3.33Å; I24-V83 WeakPolarHBondContact CA-O 3.35Å; I24-L85 HydrophobicContact CG2-CD2 3.72Å
25V96.3Very high85.9Confident0 Ų057.4 Ų57.40%030%0.301CS..EExtended strand (participates in β ladder)trans-110.9109.1-175.8-178.90000109L23 V42 V44 V64 I82 V83 A84 L85 V104L23-V25 HydrophobicContact CD2-CG2 4.17Å; L23-V25 HydrophobicContact CG-CG2 4.12Å; V25-V42 HydrophobicContact CG2-CG2 4.26Å; V25-V44 HydrophobicContact CG1-CG1 3.33Å; V25-V64 HydrophobicContact CG1-CG1 4.22Å; V25-I82 HydrophobicContact CG2-CG2 3.79Å; V25-V83 PolarHBondContact N-O 2.94Å; V25-A84 WeakPolarHBondContact O-CA 3.46Å; V25-L85 PolarHBondContact O-N 3.5Å; V25-L85 VanDerWaalsContact O-N 3.08Å; V25-V104 HydrophobicContact CG1-CG1 4Å
26D96.6Very high85.9Confident0 Ų056.4 Ų56.40%030%0.297CS..EExtended strand (participates in β ladder)trans-90.2111.9-177.7-159.9-38.3000110.4R28 F33 V42 N43 V44 L85D26-R28 VanDerWaalsContact C-N 3.35Å; D26-R28 VanDerWaalsContact OD1-CB 3.24Å; D26-R28 WeakPolarHBondContact OD1-CB 3.47Å; D26-R28 VanDerWaalsContact OD1-CG 3.22Å; D26-R28 WeakPolarHBondContact OD1-CG 3.13Å; D26-R28 IonicContact OD1-CZ 3.79Å; D26-R28 PolarHBondContact OD1-N 2.81Å; D26-R28 VanDerWaalsContact OD1-N 3.12Å; D26-R28 IonicContact OD1-NE 2.91Å; D26-R28 PolarHBondContact OD1-NE 2.78Å; D26-R28 IonicContact OD1-NH2 3.75Å; D26-R28 IonicContact OD2-CZ 3.36Å; D26-R28 IonicContact OD2-NE 3.16Å; D26-R28 PolarHBondContact OD2-NE 3Å; D26-R28 VanDerWaalsContact OD2-NE 3.16Å; D26-R28 IonicContact OD2-NH2 3.43Å; D26-R28 PolarHBondContact OD2-NH2 2.85Å; D26-F33 HydrophobicContact CB-CD2 3.62Å; D26-F33 HydrophobicContact CB-CE2 3.98Å; D26-V42 PolarHBondContact N-O 3.45Å; D26-N43 PolarHBondContact O-ND2 2.93Å; D26-V44 PolarHBondContact O-N 2.59Å; D26-L85 HydrophobicContact CB-CD1 4.39Å; D26-L85 WeakPolarHBondContact OD1-CD1 3.43Å
27C96.6Very high86.3Confident9 Ų950 Ų506%0.06128%0.275CS..  trans-92.75.2-175-520000112.8L85 V100 A101C27-L85 WeakPolarHBondContact CA-O 3.35Å; C27-L85 WeakPolarHBondContact CB-O 3.49Å; C27-L85 PolarHBondContact N-O 3.38Å; C27-L85 PolarHBondContact SG-O 3.45Å; C27-V100 HydrophobicContact CB-CG1 4.04Å; C27-V100 WeakPolarHBondContact O-CG1 3.24Å; C27-A101 HydrophobicContact CB-CB 3.79Å
28R94.4Very high87Confident10 Ų1042.3 Ų42.34%0.03824%0.242CC..SBendtrans-70.9159.6176.2-63.3-179.8-66144.52.5111.2D26 S32 S36 N43 D87D26-R28 VanDerWaalsContact C-N 3.35Å; D26-R28 VanDerWaalsContact OD1-CB 3.24Å; D26-R28 WeakPolarHBondContact OD1-CB 3.47Å; D26-R28 VanDerWaalsContact OD1-CG 3.22Å; D26-R28 WeakPolarHBondContact OD1-CG 3.13Å; D26-R28 IonicContact OD1-CZ 3.79Å; D26-R28 PolarHBondContact OD1-N 2.81Å; D26-R28 VanDerWaalsContact OD1-N 3.12Å; D26-R28 IonicContact OD1-NE 2.91Å; D26-R28 PolarHBondContact OD1-NE 2.78Å; D26-R28 IonicContact OD1-NH2 3.75Å; D26-R28 IonicContact OD2-CZ 3.36Å; D26-R28 IonicContact OD2-NE 3.16Å; D26-R28 PolarHBondContact OD2-NE 3Å; D26-R28 VanDerWaalsContact OD2-NE 3.16Å; D26-R28 IonicContact OD2-NH2 3.43Å; D26-R28 PolarHBondContact OD2-NH2 2.85Å; R28-S32 PolarHBondContact NH1-O 3.48Å; R28-S36 PolarHBondContact NH1-O 3.19Å; R28-S36 PolarHBondContact NH2-O 3.27Å; R28-N43 PolarHBondContact O-ND2 3.41Å; R28-D87 WeakPolarHBondContact CD-OD1 3.39Å; R28-D87 HydrophobicContact CG-CB 4.47Å; R28-D87 WeakPolarHBondContact CG-OD1 3.44Å
29P87.9Confident88Confident81 Ų8144.3 Ų44.353%0.52625%0.25SC..  trans-53.1142.1169.6-24.934.9000111.5F31 S32 F33P29-F31 PolarHBondContact O-N 3.06Å; P29-F31 VanDerWaalsContact O-N 3.07Å; P29-S32 WeakPolarHBondContact O-CB 3.28Å; P29-S32 PolarHBondContact O-N 3.29Å; P29-F33 PolarHBondContact O-N 2.88Å; P29-F33 VanDerWaalsContact O-N 3.14Å
30Y85.6Confident89.1Confident130 Ų13041.8 Ų41.851%0.5124%0.244SC..Hα-helixtrans-48.8-41-176.7177.8-103000113.2S32 F33 T34 N43Y30-S32 PolarHBondContact O-N 2.99Å; Y30-F33 WeakPolarHBondContact O-CB 3.33Å; Y30-F33 PolarHBondContact O-N 3.37Å; Y30-T34 WeakPolarHBondContact CE1-OG1 3.14Å; Y30-T34 PolarHBondContact O-N 3.48Å; Y30-T34 PolarHBondContact O-OG1 3.48Å; Y30-N43 WeakPolarHBondContact CA-OD1 3.5Å
31F81.6Confident90.2Very high129 Ų12940.3 Ų40.357%0.56623%0.228SC*.Hα-helixtrans-62.5-41.7177.7-168-104.5000113.4P29 F33 T34 N35P29-F31 PolarHBondContact O-N 3.06Å; P29-F31 VanDerWaalsContact O-N 3.07Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 3.12Å; F31-T34 PolarHBondContact O-N 3.02Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.36Å; F31-N35 VanDerWaalsContact O-CG 3.24Å; F31-N35 PolarHBondContact O-N 3.42Å
32S85.6Confident90.5Very high38 Ų3839.8 Ų39.827%0.26622%0.223SC..Hα-helixtrans-64.5-37.6175-570000111.8R28 P29 Y30 S36R28-S32 PolarHBondContact NH1-O 3.48Å; P29-S32 WeakPolarHBondContact O-CB 3.28Å; P29-S32 PolarHBondContact O-N 3.29Å; Y30-S32 PolarHBondContact O-N 2.99Å; S32-S36 PolarHBondContact O-N 2.92Å; S32-S36 VanDerWaalsContact O-O 3.09Å
33F89.1Confident90.7Very high34 Ų3439.8 Ų39.815%0.14922%0.221CC..Hα-helixtrans-66.8-46.1175171.6-91.7000112.4D26 P29 Y30 F31 S36 S37 S41 N43D26-F33 HydrophobicContact CB-CD2 3.62Å; D26-F33 HydrophobicContact CB-CE2 3.98Å; P29-F33 PolarHBondContact O-N 2.88Å; P29-F33 VanDerWaalsContact O-N 3.14Å; Y30-F33 WeakPolarHBondContact O-CB 3.33Å; Y30-F33 PolarHBondContact O-N 3.37Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 3.12Å; F33-S36 CarbonylContact O-C 3.51Å; F33-S36 PolarHBondContact O-N 3.03Å; F33-S37 WeakPolarHBondContact O-CB 3.49Å; F33-S37 PolarHBondContact O-N 2.99Å; F33-S41 WeakPolarHBondContact CE2-OG 3.34Å; F33-S41 WeakPolarHBondContact CZ-O 3.39Å; F33-N43 HydrophobicContact CB-CB 4.27Å; F33-N43 HydrophobicContact CD1-CB 3.68Å; F33-N43 HydrophobicContact CD2-CB 3.79Å; F33-N43 HydrophobicContact CE1-CB 3.86Å; F33-N43 HydrophobicContact CE2-CB 3.94Å; F33-N43 HydrophobicContact CG-CB 3.64Å; F33-N43 HydrophobicContact CZ-CB 3.99Å
34T85.5Confident90.8Very high48 Ų4840.1 Ų40.129%0.29422%0.223SC..Hα-helixtrans-66.1-37.5-179-58.20000112.3Y30 F31Y30-T34 WeakPolarHBondContact CE1-OG1 3.14Å; Y30-T34 PolarHBondContact O-N 3.48Å; Y30-T34 PolarHBondContact O-OG1 3.48Å; F31-T34 PolarHBondContact O-N 3.02Å
35N81.6Confident90.5Very high82 Ų8243.8 Ų43.844%0.43924%0.243SC..Hα-helixtrans-65.1-41.9177.7-71.8-9.6000112.2F31F31-N35 WeakPolarHBondContact CE1-ND2 3.36Å; F31-N35 VanDerWaalsContact O-CG 3.24Å; F31-N35 PolarHBondContact O-N 3.42Å
36S89.3Confident90.2Very high13 Ų1344.8 Ų44.89%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-162.9133.9169.4-163.70000111.4R28 S32 F33 Y124 T136R28-S36 PolarHBondContact NH1-O 3.19Å; R28-S36 PolarHBondContact NH2-O 3.27Å; S32-S36 PolarHBondContact O-N 2.92Å; S32-S36 VanDerWaalsContact O-O 3.09Å; F33-S36 CarbonylContact O-C 3.51Å; F33-S36 PolarHBondContact O-N 3.03Å; S36-Y124 VanDerWaalsContact C-OH 3.26Å; S36-Y124 VanDerWaalsContact CB-OH 3.24Å; S36-Y124 WeakPolarHBondContact CB-OH 3.49Å; S36-Y124 PolarHBondContact O-OH 3.03Å; S36-Y124 PolarHBondContact OG-OH 2.84Å; S36-T136 WeakPolarHBondContact CA-O 3.33Å; S36-T136 PolarHBondContact OG-O 2.98Å
37S94.3Very high89.5Confident17 Ų1748.5 Ų48.512%0.11927%0.268CS..EExtended strand (participates in β ladder)trans-131.7163.4-176.754.10000111.6F33 Y124 C135 T136F33-S37 WeakPolarHBondContact O-CB 3.49Å; F33-S37 PolarHBondContact O-N 2.99Å; S37-Y124 PolarHBondContact N-OH 2.73Å; S37-C135 CarbonylContact O-C 3.55Å; S37-C135 WeakPolarHBondContact O-CA 3.37Å; S37-C135 WeakPolarHBondContact O-CB 3.35Å; S37-T136 PolarHBondContact N-O 2.74Å; S37-T136 PolarHBondContact O-N 3.45Å; S37-T136 PolarHBondContact O-OG1 2.97Å; S37-T136 PolarHBondContact OG-OG1 2.99Å
38I94.7Very high88.8Confident0 Ų052.8 Ų52.80%030%0.298CS..EExtended strand (participates in β ladder)trans-74.1136.5169.3-57.7-173.9000108.1L11 I15 I24 G40 S41 L85 L120 Y124 F127L11-I38 HydrophobicContact CD2-CD1 3.86Å; I15-I38 HydrophobicContact CD1-CG2 3.57Å; I24-I38 HydrophobicContact CD1-CG2 3.85Å; I38-G40 PolarHBondContact O-N 3.2Å; I38-G40 VanDerWaalsContact O-N 3.15Å; I38-S41 WeakPolarHBondContact O-CB 3.3Å; I38-S41 PolarHBondContact O-N 3.43Å; I38-S41 PolarHBondContact O-OG 3.06Å; I38-L85 HydrophobicContact CD1-CD2 3.55Å; I38-L85 HydrophobicContact CG1-CD2 4.3Å; I38-L120 HydrophobicContact CD1-CD2 4.1Å; I38-Y124 HydrophobicContact CG1-CD2 3.96Å; I38-Y124 HydrophobicContact CG1-CE2 3.8Å; I38-F127 HydrophobicContact CD1-CB 4.41Å; I38-F127 HydrophobicContact CD1-CD1 3.52Å; I38-F127 HydrophobicContact CD1-CD2 4.38Å; I38-F127 HydrophobicContact CD1-CE1 3.81Å; I38-F127 HydrophobicContact CD1-CG 3.84Å; I38-F127 HydrophobicContact CD1-CZ 4.37Å; I38-F127 HydrophobicContact CG1-CD1 3.87Å; I38-F127 HydrophobicContact CG1-CE1 4.04Å; I38-F127 HydrophobicContact CG2-CE1 4.12Å; I38-F127 HydrophobicContact CG2-CZ 4.5Å
39K90.2Very high88.1Confident101 Ų10155 Ų5544%0.43931%0.31SS..THydrogen-bonded Turntrans-55.3122.6-178.3-76169.5179.9165.60111.5E133 L134 C135 T136K39-E133 PolarHBondContact NZ-O 3.02Å; K39-L134 WeakPolarHBondContact CB-O 3.44Å; K39-L134 WeakPolarHBondContact CG-O 3.5Å; K39-L134 PolarHBondContact N-O 3.48Å; K39-C135 VanDerWaalsContact CE-O 3.26Å; K39-C135 WeakPolarHBondContact CE-O 3.46Å; K39-T136 HydrophobicContact CG-CG2 4.45Å
40G87.4Confident88.1Confident70 Ų7052.3 Ų52.372%0.72229%0.293SS*.THydrogen-bonded Turntrans77.812.7-178.900000115.3I38I38-G40 PolarHBondContact O-N 3.2Å; I38-G40 VanDerWaalsContact O-N 3.15Å
41S92.9Very high88.3Confident13 Ų1347.5 Ų47.59%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-78.8150.5167.469.50000112.2I24 F33 I38I24-S41 CarbonylContact O-C 3.56Å; I24-S41 VanDerWaalsContact O-CA 3.25Å; I24-S41 WeakPolarHBondContact O-CA 3.47Å; I24-S41 WeakPolarHBondContact O-CB 3.44Å; F33-S41 WeakPolarHBondContact CE2-OG 3.34Å; F33-S41 WeakPolarHBondContact CZ-O 3.39Å; I38-S41 WeakPolarHBondContact O-CB 3.3Å; I38-S41 PolarHBondContact O-N 3.43Å; I38-S41 PolarHBondContact O-OG 3.06Å
42V92.5Very high88.5Confident23 Ų2349.7 Ų49.714%0.13928%0.281CS..EExtended strand (participates in β ladder)trans-108136.9174-630000109.4L23 I24 V25 D26 D67L23-V42 HydrophobicContact CD1-CG1 4.37Å; L23-V42 HydrophobicContact CD1-CG2 4Å; I24-V42 PolarHBondContact O-N 3.45Å; V25-V42 HydrophobicContact CG2-CG2 4.26Å; D26-V42 PolarHBondContact N-O 3.45Å; V42-D67 HydrophobicContact CG1-CB 4.33Å
43N94.6Very high88.7Confident22 Ų2257.5 Ų57.512%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-83.6145.3172.8-170.8-131.4000110.7D26 R28 Y30 F33 P66D26-N43 PolarHBondContact O-ND2 2.93Å; R28-N43 PolarHBondContact O-ND2 3.41Å; Y30-N43 WeakPolarHBondContact CA-OD1 3.5Å; F33-N43 HydrophobicContact CB-CB 4.27Å; F33-N43 HydrophobicContact CD1-CB 3.68Å; F33-N43 HydrophobicContact CD2-CB 3.79Å; F33-N43 HydrophobicContact CE1-CB 3.86Å; F33-N43 HydrophobicContact CE2-CB 3.94Å; F33-N43 HydrophobicContact CG-CB 3.64Å; F33-N43 HydrophobicContact CZ-CB 3.99Å; N43-P66 WeakPolarHBondContact O-CD 3.38Å; N43-P66 VanDerWaalsContact O-CG 3.3Å; N43-P66 WeakPolarHBondContact O-CG 3.3Å
44V94.6Very high88.8Confident12 Ų1256.9 Ų56.97%0.07331%0.305CS..  trans-76.6140.2177.5-58.60000111.3V25 D26 L46 V100 V104V25-V44 HydrophobicContact CG1-CG1 3.33Å; D26-V44 PolarHBondContact O-N 2.59Å; V44-L46 VanDerWaalsContact C-N 3.3Å; V44-L46 HydrophobicContact CB-CD1 4.12Å; V44-L46 HydrophobicContact CB-CG 4.21Å; V44-L46 HydrophobicContact CG2-CB 4.24Å; V44-L46 HydrophobicContact CG2-CD1 4.11Å; V44-L46 HydrophobicContact CG2-CG 4.29Å; V44-L46 PolarHBondContact O-N 2.92Å; V44-V100 HydrophobicContact CG2-CG1 3.47Å; V44-V100 VanDerWaalsContact CG2-CG1 3.47Å; V44-V104 HydrophobicContact CB-CG2 4.48Å; V44-V104 HydrophobicContact CG1-CG2 3.76Å
45N90Very high89.1Confident88 Ų8865.7 Ų65.747%0.47133%0.333SS..  trans-93.158.7175.4-170.46.6000110.8F63 P66N45-F63 CarbonylContact C-O 3.58Å; N45-F63 WeakPolarHBondContact CA-O 3.21Å; N45-F63 PolarHBondContact N-O 3.3Å; N45-F63 WeakPolarHBondContact O-CD1 3.43Å; N45-P66 HydrophobicContact CB-CB 4.16Å; N45-P66 HydrophobicContact CB-CG 4.33Å
46L88.4Confident89.4Confident21 Ų2162 Ų6211%0.1132%0.315CS..  trans-108.184.9-177.4-69.1173000111.3V44 V50 V51 V59 F63 V64 V100 I103 V104V44-L46 VanDerWaalsContact C-N 3.3Å; V44-L46 HydrophobicContact CB-CD1 4.12Å; V44-L46 HydrophobicContact CB-CG 4.21Å; V44-L46 HydrophobicContact CG2-CB 4.24Å; V44-L46 HydrophobicContact CG2-CD1 4.11Å; V44-L46 HydrophobicContact CG2-CG 4.29Å; V44-L46 PolarHBondContact O-N 2.92Å; L46-V50 HydrophobicContact CD2-CG1 3.7Å; L46-V51 HydrophobicContact CB-CG2 4.11Å; L46-V59 HydrophobicContact CD2-CG2 3.86Å; L46-F63 HydrophobicContact CD2-CB 3.65Å; L46-F63 HydrophobicContact CG-CB 4.47Å; L46-V64 HydrophobicContact CD1-CG2 4.49Å; L46-V100 HydrophobicContact CB-CG1 4.13Å; L46-V100 HydrophobicContact CD1-CG1 3.71Å; L46-I103 HydrophobicContact CD1-CG2 4.19Å; L46-V104 HydrophobicContact CD1-CG2 3.66Å
47N82.3Confident89.6Confident77 Ų7762.4 Ų62.441%0.41232%0.321SS..  trans-70162.3173.273.943.9000112.3L49 V50 V51N47-L49 PolarHBondContact O-N 3.16Å; N47-L49 VanDerWaalsContact O-N 3.11Å; N47-L49 WeakPolarHBondContact OD1-CB 3.42Å; N47-L49 PolarHBondContact OD1-N 2.89Å; N47-V50 PolarHBondContact O-N 3.36Å; N47-V50 PolarHBondContact OD1-N 2.82Å; N47-V51 WeakPolarHBondContact O-CG2 3.15Å; N47-V51 PolarHBondContact O-N 2.97Å
48S81.8Confident89.5Confident99 Ų9965 Ų6569%0.69234%0.337SS*.Hα-helixtrans-58.1-27.7-176-47.90000114.3R52S48-R52 WeakPolarHBondContact O-CB 3.36Å; S48-R52 PolarHBondContact O-N 2.9Å
49L81.2Confident89.5Confident56 Ų5665.9 Ų65.929%0.29334%0.342SS..Hα-helixtrans-73.1-43.3176.3-66.3175.5000111.6N47 R52 R53 F296N47-L49 PolarHBondContact O-N 3.16Å; N47-L49 VanDerWaalsContact O-N 3.11Å; N47-L49 WeakPolarHBondContact OD1-CB 3.42Å; N47-L49 PolarHBondContact OD1-N 2.89Å; L49-R52 PolarHBondContact O-N 3.07Å; L49-R53 VanDerWaalsContact O-CB 3.29Å; L49-R53 WeakPolarHBondContact O-CB 3.46Å; L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.37Å; L49-R53 PolarHBondContact O-N 3.15Å; L49-F296 HydrophobicContact CD1-CE2 4.07Å; L49-F296 HydrophobicContact CD2-CE2 3.86Å; L49-F296 HydrophobicContact CD2-CZ 4.1Å; L49-F296 HydrophobicContact CG-CE2 4.12Å
50V87.6Confident89.6Confident25 Ų2564.8 Ų64.815%0.15235%0.345CS..Hα-helixtrans-64.5-46.8176.11770000109.9L46 N47 R52 R53 S54 V59 F63L46-V50 HydrophobicContact CD2-CG1 3.7Å; N47-V50 PolarHBondContact O-N 3.36Å; N47-V50 PolarHBondContact OD1-N 2.82Å; V50-R52 PolarHBondContact O-N 3.29Å; V50-R53 PolarHBondContact O-N 3.42Å; V50-S54 WeakPolarHBondContact O-CB 3.42Å; V50-S54 PolarHBondContact O-N 2.82Å; V50-V59 HydrophobicContact CG1-CB 4.41Å; V50-V59 HydrophobicContact CG1-CG1 3.98Å; V50-F63 HydrophobicContact CG1-CD2 4.45Å; V50-F63 HydrophobicContact CG1-CG 4.45Å; V50-F63 HydrophobicContact CG2-CD1 4.42Å; V50-F63 HydrophobicContact CG2-CE1 4.21Å; V50-F63 HydrophobicContact CG2-CZ 4.38Å
51V88.6Confident89.8Confident29 Ų2963.1 Ų63.118%0.17632%0.32CS..Hα-helixtrans-55.5-53174.9172.60000110.7L46 N47 R53 S54 D98 V100 I103L46-V51 HydrophobicContact CB-CG2 4.11Å; N47-V51 WeakPolarHBondContact O-CG2 3.15Å; N47-V51 PolarHBondContact O-N 2.97Å; V51-R53 PolarHBondContact O-N 2.61Å; V51-S54 PolarHBondContact O-N 3.39Å; V51-S54 PolarHBondContact O-OG 3Å; V51-D98 WeakPolarHBondContact CG1-O 3.41Å; V51-V100 HydrophobicContact CG2-CG2 4.16Å; V51-I103 HydrophobicContact CB-CD1 4.19Å; V51-I103 HydrophobicContact CG1-CD1 3.81Å; V51-I103 HydrophobicContact CG2-CD1 4.14Å
52R86.8Confident89.7Confident175 Ų17568.4 Ų68.466%0.6634%0.343SS*.Hα-helixtrans-61.7-40.5179.6-173.9176.169.1157.2-0.3113.2S48 L49 V50S48-R52 WeakPolarHBondContact O-CB 3.36Å; S48-R52 PolarHBondContact O-N 2.9Å; L49-R52 PolarHBondContact O-N 3.07Å; V50-R52 PolarHBondContact O-N 3.29Å
53R90.1Very high89.6Confident202 Ų20269.8 Ų69.876%0.76235%0.347SS*.Hα-helixtrans-70.9-34.5179-77177.4172.5171.7-1.1112.5L49 V50 V51 R55L49-R53 VanDerWaalsContact O-CB 3.29Å; L49-R53 WeakPolarHBondContact O-CB 3.46Å; L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.37Å; L49-R53 PolarHBondContact O-N 3.15Å; V50-R53 PolarHBondContact O-N 3.42Å; V51-R53 PolarHBondContact O-N 2.61Å; R53-R55 PolarHBondContact O-N 3.24Å
54S91.2Very high89.5Confident21 Ų2168.8 Ų68.815%0.14734%0.342CS..Hα-helixtrans-62.9-30.1178.476.20000113.3V50 V51 G56 G57 I103V50-S54 WeakPolarHBondContact O-CB 3.42Å; V50-S54 PolarHBondContact O-N 2.82Å; V51-S54 PolarHBondContact O-N 3.39Å; V51-S54 PolarHBondContact O-OG 3Å; S54-G56 PolarHBondContact O-N 3.13Å; S54-G56 PolarHBondContact OG-N 3.41Å; S54-G56 VanDerWaalsContact OG-N 3.16Å; S54-G57 WeakPolarHBondContact O-CA 3.43Å; S54-G57 PolarHBondContact O-N 3.3Å; S54-I103 VanDerWaalsContact OG-CD1 3.27Å; S54-I103 WeakPolarHBondContact OG-CD1 3.3Å
55R90.4Very high89.4Confident233 Ų23368.2 Ų68.288%0.87934%0.338SS*.THydrogen-bonded Turntrans51.831-170.1-57.9-178.8175.6-175.8-1.5113.3R53 G57R53-R55 PolarHBondContact O-N 3.24Å; R55-G57 VanDerWaalsContact C-N 3.32Å
56G88.9Confident89.1Confident6 Ų666.7 Ų66.76%0.06233%0.334CS..THydrogen-bonded Turntrans86.2-5.6-174.300000114.7S54 K97 N106S54-G56 PolarHBondContact O-N 3.13Å; S54-G56 PolarHBondContact OG-N 3.41Å; S54-G56 VanDerWaalsContact OG-N 3.16Å; G56-K97 WeakPolarHBondContact CA-O 3.26Å; G56-N106 PolarHBondContact O-ND2 2.96Å
57G92.7Very high88.9Confident21 Ų2168.7 Ų68.722%0.21634%0.344CS..SBendtrans-73.1174.6176.300000114S54 R55S54-G57 WeakPolarHBondContact O-CA 3.43Å; S54-G57 PolarHBondContact O-N 3.3Å; R55-G57 VanDerWaalsContact C-N 3.32Å
58P93Very high89.1Confident71 Ų7172.6 Ų72.646%0.46136%0.36SS..  trans-65.5152.5174.929.9-35.7000111.8T107P58-T107 WeakPolarHBondContact CA-OG1 3.43Å
59V94.3Very high89.4Confident19 Ų1977.5 Ų77.512%0.11536%0.363CS..  trans-128.5164.4179.1-64.10000110.8L46 V50 L61 F63 V64 I103 T107L46-V59 HydrophobicContact CD2-CG2 3.86Å; V50-V59 HydrophobicContact CG1-CB 4.41Å; V50-V59 HydrophobicContact CG1-CG1 3.98Å; V59-L61 PolarHBondContact O-N 2.85Å; V59-F63 HydrophobicContact CG2-CB 4.37Å; V59-V64 HydrophobicContact CG2-CG2 3.93Å; V59-I103 HydrophobicContact CG1-CG2 3.89Å; V59-I103 HydrophobicContact CG2-CG2 3.89Å; V59-T107 HydrophobicContact CG2-CG2 4.42Å; V59-T107 WeakPolarHBondContact CG2-OG1 3.31Å; V59-T107 PolarHBondContact N-OG1 3.28Å; V59-T107 WeakPolarHBondContact O-CG2 3.3Å
60P92.7Very high89.6Confident77 Ų7774.9 Ų74.950%0.535%0.35SS..  trans-54.2133.1174.6-28.135.9000112.4Q62 F63P60-Q62 HydrophobicContact CB-CG 4.36Å; P60-Q62 PolarHBondContact O-N 2.85Å; P60-Q62 VanDerWaalsContact O-N 3.07Å; P60-F63 HydrophobicContact CB-CD2 3.82Å; P60-F63 HydrophobicContact CB-CE2 3.92Å; P60-F63 HydrophobicContact CG-CD2 4.09Å; P60-F63 HydrophobicContact CG-CE2 3.91Å; P60-F63 WeakPolarHBondContact O-CD2 3.46Å; P60-F63 PolarHBondContact O-N 3.33Å
61L90.9Very high89.7Confident36 Ų3674.5 Ų74.519%0.18835%0.347CS..G310 helixtrans-58.3-30.5-167.1-17461.2000113.9V59 F63 V64 I65 L71 L74 T107 L108 L111V59-L61 PolarHBondContact O-N 2.85Å; L61-F63 PolarHBondContact O-N 3.09Å; L61-V64 HydrophobicContact CD1-CB 4.47Å; L61-V64 PolarHBondContact O-N 2.97Å; L61-I65 HydrophobicContact CD1-CD1 4.08Å; L61-I65 HydrophobicContact CD1-CG1 4.45Å; L61-I65 PolarHBondContact O-N 2.81Å; L61-L71 HydrophobicContact CB-CD2 4.47Å; L61-L71 HydrophobicContact CD2-CD2 3.63Å; L61-L71 HydrophobicContact CG-CD2 3.64Å; L61-L74 HydrophobicContact CD2-CD2 4.24Å; L61-T107 HydrophobicContact CD1-CG2 4.29Å; L61-L108 HydrophobicContact CD1-CD2 4.31Å; L61-L111 HydrophobicContact CD1-CD1 3.98Å; L61-L111 HydrophobicContact CD1-CD2 3.95Å; L61-L111 HydrophobicContact CD1-CG 4.41Å; L61-L111 HydrophobicContact CD2-CD2 3.71Å; L61-L111 HydrophobicContact CG-CD2 4.34Å
62Q90.6Very high89.7Confident123 Ų12378.7 Ų78.758%0.57536%0.363SS*.G310 helixtrans-58.2-23.5175.169.6-163.159.700114.3P60 I65 P66P60-Q62 HydrophobicContact CB-CG 4.36Å; P60-Q62 PolarHBondContact O-N 2.85Å; P60-Q62 VanDerWaalsContact O-N 3.07Å; Q62-I65 CarbonylContact O-C 3.49Å; Q62-P66 VanDerWaalsContact O-CA 3.32Å; Q62-P66 WeakPolarHBondContact O-CA 3.13Å
63F90.1Very high89.7Confident53 Ų5374 Ų7423%0.23235%0.345CS..G310 helixtrans-80.2-22.7173.7-62.8-66.5000112.6N45 L46 V50 V59 P60 L61N45-F63 CarbonylContact C-O 3.58Å; N45-F63 WeakPolarHBondContact CA-O 3.21Å; N45-F63 PolarHBondContact N-O 3.3Å; N45-F63 WeakPolarHBondContact O-CD1 3.43Å; L46-F63 HydrophobicContact CD2-CB 3.65Å; L46-F63 HydrophobicContact CG-CB 4.47Å; V50-F63 HydrophobicContact CG1-CD2 4.45Å; V50-F63 HydrophobicContact CG1-CG 4.45Å; V50-F63 HydrophobicContact CG2-CD1 4.42Å; V50-F63 HydrophobicContact CG2-CE1 4.21Å; V50-F63 HydrophobicContact CG2-CZ 4.38Å; V59-F63 HydrophobicContact CG2-CB 4.37Å; P60-F63 HydrophobicContact CB-CD2 3.82Å; P60-F63 HydrophobicContact CB-CE2 3.92Å; P60-F63 HydrophobicContact CG-CD2 4.09Å; P60-F63 HydrophobicContact CG-CE2 3.91Å; P60-F63 WeakPolarHBondContact O-CD2 3.46Å; P60-F63 PolarHBondContact O-N 3.33Å; L61-F63 PolarHBondContact O-N 3.09Å
64V94Very high89.7Confident0 Ų065 Ų650%031%0.312CS..THydrogen-bonded Turntrans-92-36.6177.51760000111.3V25 L46 V59 L61 V104 T107 L108V25-V64 HydrophobicContact CG1-CG1 4.22Å; L46-V64 HydrophobicContact CD1-CG2 4.49Å; V59-V64 HydrophobicContact CG2-CG2 3.93Å; L61-V64 HydrophobicContact CD1-CB 4.47Å; L61-V64 PolarHBondContact O-N 2.97Å; V64-V104 HydrophobicContact CG1-CB 4.31Å; V64-V104 HydrophobicContact CG1-CG1 3.78Å; V64-V104 HydrophobicContact CG1-CG2 4.09Å; V64-V104 HydrophobicContact CG2-CG2 4.17Å; V64-T107 HydrophobicContact CG2-CG2 3.79Å; V64-L108 HydrophobicContact CG1-CD2 4.09Å; V64-L108 HydrophobicContact CG1-CG 4.27Å
65I92.1Very high89.5Confident0 Ų073.3 Ų73.30%034%0.34CS..  trans-128.990.1177.3-52.6170.5000106.7L23 L61 Q62 D67 A70 L71 L74 L108L23-I65 HydrophobicContact CD2-CD1 3.6Å; L23-I65 HydrophobicContact CD2-CG1 4.03Å; L23-I65 HydrophobicContact CD2-CG2 4.1Å; L61-I65 HydrophobicContact CD1-CD1 4.08Å; L61-I65 HydrophobicContact CD1-CG1 4.45Å; L61-I65 PolarHBondContact O-N 2.81Å; Q62-I65 CarbonylContact O-C 3.49Å; I65-D67 VanDerWaalsContact C-N 3.33Å; I65-A70 HydrophobicContact CG2-CB 3.61Å; I65-L71 HydrophobicContact CB-CD2 3.76Å; I65-L71 HydrophobicContact CB-CG 4.17Å; I65-L71 HydrophobicContact CD1-CD2 4.43Å; I65-L71 HydrophobicContact CG2-CD2 4.03Å; I65-L71 HydrophobicContact CG2-CG 3.98Å; I65-L71 WeakPolarHBondContact O-CD1 3.09Å; I65-L71 WeakPolarHBondContact O-CG 3.46Å; I65-L74 HydrophobicContact CD1-CD2 3.5Å; I65-L74 VanDerWaalsContact CD1-CD2 3.5Å; I65-L108 HydrophobicContact CD1-CD2 4.41Å
66P83Confident89.4Confident57 Ų5768 Ų6837%0.3733%0.325SS..  trans-78-15.2-178.830.1-34.7000113.7N43 N45 Q62 E68N43-P66 WeakPolarHBondContact O-CD 3.38Å; N43-P66 VanDerWaalsContact O-CG 3.3Å; N43-P66 WeakPolarHBondContact O-CG 3.3Å; N45-P66 HydrophobicContact CB-CB 4.16Å; N45-P66 HydrophobicContact CB-CG 4.33Å; Q62-P66 VanDerWaalsContact O-CA 3.32Å; Q62-P66 WeakPolarHBondContact O-CA 3.13Å; P66-E68 PolarHBondContact O-N 2.93Å
67D84.9Confident89.3Confident62 Ų6270.3 Ų70.333%0.33235%0.35SS..  trans-76.3112.5173.417222.6000110.8V42 I65 R69 A70 L71V42-D67 HydrophobicContact CG1-CB 4.33Å; I65-D67 VanDerWaalsContact C-N 3.33Å; D67-R69 PolarHBondContact O-N 3.42Å; D67-R69 WeakPolarHBondContact OD1-CB 3.47Å; D67-R69 PolarHBondContact OD1-N 3.05Å; D67-A70 HydrophobicContact CB-CB 3.99Å; D67-A70 PolarHBondContact O-N 3.15Å; D67-A70 VanDerWaalsContact O-N 3.16Å; D67-A70 WeakPolarHBondContact OD2-CB 3.24Å; D67-A70 PolarHBondContact OD2-N 2.87Å; D67-L71 PolarHBondContact O-N 3.47Å
68E86.5Confident89.1Confident160 Ų16072.2 Ų72.275%0.74836%0.36SS*.Hα-helixtrans-59-31.5177.2-62.2-166.9144.500113P66 L71 F72P66-E68 PolarHBondContact O-N 2.93Å; E68-L71 PolarHBondContact O-N 3.39Å; E68-F72 WeakPolarHBondContact O-CB 3.46Å; E68-F72 PolarHBondContact O-N 3Å
69R87.4Confident88.9Confident201 Ų20169 Ų6976%0.75834%0.339SS*.Hα-helixtrans-70.6-38.5177.9-60178.4176.4179.9-0.9111.3D67 R73D67-R69 PolarHBondContact O-N 3.42Å; D67-R69 WeakPolarHBondContact OD1-CB 3.47Å; D67-R69 PolarHBondContact OD1-N 3.05Å; R69-R73 WeakPolarHBondContact O-CB 3.16Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 3.46Å; R69-R73 VanDerWaalsContact O-N 3.1Å
70A86.9Confident88.7Confident1 Ų171 Ų711%0.00835%0.353CS..Hα-helixtrans-67.9-4017200000111.9L23 I65 D67 L74L23-A70 HydrophobicContact CD1-CB 3.9Å; L23-A70 HydrophobicContact CD2-CB 4.3Å; I65-A70 HydrophobicContact CG2-CB 3.61Å; D67-A70 HydrophobicContact CB-CB 3.99Å; D67-A70 PolarHBondContact O-N 3.15Å; D67-A70 VanDerWaalsContact O-N 3.16Å; D67-A70 WeakPolarHBondContact OD2-CB 3.24Å; D67-A70 PolarHBondContact OD2-N 2.87Å; A70-L74 WeakPolarHBondContact O-CB 3.39Å; A70-L74 PolarHBondContact O-N 3.39Å
71L88.8Confident88.6Confident17 Ų1767.6 Ų67.69%0.08933%0.332CS..Hα-helixtrans-60.9-44.4173.1-74.5175.8000112.3L61 I65 D67 E68 L74 R75L61-L71 HydrophobicContact CB-CD2 4.47Å; L61-L71 HydrophobicContact CD2-CD2 3.63Å; L61-L71 HydrophobicContact CG-CD2 3.64Å; I65-L71 HydrophobicContact CB-CD2 3.76Å; I65-L71 HydrophobicContact CB-CG 4.17Å; I65-L71 HydrophobicContact CD1-CD2 4.43Å; I65-L71 HydrophobicContact CG2-CD2 4.03Å; I65-L71 HydrophobicContact CG2-CG 3.98Å; I65-L71 WeakPolarHBondContact O-CD1 3.09Å; I65-L71 WeakPolarHBondContact O-CG 3.46Å; D67-L71 PolarHBondContact O-N 3.47Å; E68-L71 PolarHBondContact O-N 3.39Å; L71-L74 PolarHBondContact O-N 2.9Å; L71-R75 WeakPolarHBondContact O-CG 3.39Å; L71-R75 PolarHBondContact O-N 2.88Å
72F87.6Confident88.8Confident118 Ų11865.9 Ų65.952%0.51832%0.323SS..Hα-helixtrans-61.1-52.9178.2-176.2-98.7000111.1E68 L74 R75 E76E68-F72 WeakPolarHBondContact O-CB 3.46Å; E68-F72 PolarHBondContact O-N 3Å; F72-L74 PolarHBondContact O-N 3.37Å; F72-R75 PolarHBondContact O-N 3.13Å; F72-E76 HydrophobicContact CD1-CG 4.44Å; F72-E76 HydrophobicContact CE1-CG 4.09Å; F72-E76 WeakPolarHBondContact CE1-OE1 3.4Å; F72-E76 WeakPolarHBondContact CE1-OE2 3.4Å; F72-E76 HydrophobicContact CZ-CG 4.15Å; F72-E76 WeakPolarHBondContact CZ-OE1 3.37Å; F72-E76 PolarHBondContact O-N 2.71Å
73R88.8Confident89.1Confident77 Ų7760 Ų6029%0.29130%0.295SS..Hα-helixtrans-58.8-29.6175.8-75.3168.554.7-134.3-7.4113.6G20 R69 S78 I79G20-R73 PolarHBondContact O-NH2 3.47Å; R69-R73 WeakPolarHBondContact O-CB 3.16Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 3.46Å; R69-R73 VanDerWaalsContact O-N 3.1Å; R73-S78 WeakPolarHBondContact O-CB 3.09Å; R73-S78 PolarHBondContact O-N 3.08Å; R73-I79 HydrophobicContact CB-CD1 3.9Å; R73-I79 HydrophobicContact CB-CG1 4.12Å; R73-I79 PolarHBondContact O-N 3.36Å
74L88.6Confident89.4Confident11 Ų1157.5 Ų57.56%0.05828%0.284CS..Hα-helixtrans-72.5-41.9174.9-177.856.1000111.9L61 I65 A70 L71 F72 G77 I79 I82 L111 A115L61-L74 HydrophobicContact CD2-CD2 4.24Å; I65-L74 HydrophobicContact CD1-CD2 3.5Å; I65-L74 VanDerWaalsContact CD1-CD2 3.5Å; A70-L74 WeakPolarHBondContact O-CB 3.39Å; A70-L74 PolarHBondContact O-N 3.39Å; L71-L74 PolarHBondContact O-N 2.9Å; F72-L74 PolarHBondContact O-N 3.37Å; L74-G77 PolarHBondContact O-N 2.87Å; L74-I79 HydrophobicContact CB-CD1 3.97Å; L74-I79 HydrophobicContact CD1-CB 4.22Å; L74-I79 HydrophobicContact CD1-CG2 4.38Å; L74-I82 HydrophobicContact CD1-CD1 3.84Å; L74-I82 HydrophobicContact CD2-CD1 4.14Å; L74-L111 HydrophobicContact CD2-CD1 4.02Å; L74-A115 HydrophobicContact CD1-CB 4.33Å
75R87.4Confident89.6Confident196 Ų19657.5 Ų57.574%0.7428%0.284SS*.Hα-helixtrans-67.4-37.9178.1-70.9172-176.4175.22.8112.4L71 F72 G77L71-R75 WeakPolarHBondContact O-CG 3.39Å; L71-R75 PolarHBondContact O-N 2.88Å; F72-R75 PolarHBondContact O-N 3.13Å; R75-G77 PolarHBondContact O-N 3.21Å
76E88Confident89.7Confident121 Ų12158.8 Ų58.857%0.56529%0.291SS*.THydrogen-bonded Turntrans-75.3-1.2174.8-66.7-167.6137.900114.1F72 S78F72-E76 HydrophobicContact CD1-CG 4.44Å; F72-E76 HydrophobicContact CE1-CG 4.09Å; F72-E76 WeakPolarHBondContact CE1-OE1 3.4Å; F72-E76 WeakPolarHBondContact CE1-OE2 3.4Å; F72-E76 HydrophobicContact CZ-CG 4.15Å; F72-E76 WeakPolarHBondContact CZ-OE1 3.37Å; F72-E76 PolarHBondContact O-N 2.71Å; E76-S78 PolarHBondContact O-N 3.38Å
77G86.8Confident90.1Very high56 Ų5658.2 Ų58.258%0.57729%0.285SS*.THydrogen-bonded Turntrans72.69-178.600000115.2L74 R75 I79L74-G77 PolarHBondContact O-N 2.87Å; R75-G77 PolarHBondContact O-N 3.21Å; G77-I79 PolarHBondContact O-N 3.36Å
78S87.9Confident90.5Very high61 Ų6163.5 Ų63.543%0.42730%0.3SS..  trans-67.2-10175.4-71.20000113.7R73 E76R73-S78 WeakPolarHBondContact O-CB 3.09Å; R73-S78 PolarHBondContact O-N 3.08Å; E76-S78 PolarHBondContact O-N 3.38Å
79I90.7Very high90.9Very high4 Ų457.2 Ų57.22%0.02127%0.273CS..  trans-105.4111.3177.8-65.7170.3000109.3S21 L23 R73 L74 G77 A81 I82 A115S21-I79 CarbonylContact O-C 3.59Å; S21-I79 WeakPolarHBondContact O-CA 3.38Å; L23-I79 HydrophobicContact CB-CD1 4.1Å; L23-I79 HydrophobicContact CB-CG2 4.09Å; L23-I79 HydrophobicContact CD2-CD1 4.31Å; R73-I79 HydrophobicContact CB-CD1 3.9Å; R73-I79 HydrophobicContact CB-CG1 4.12Å; R73-I79 PolarHBondContact O-N 3.36Å; L74-I79 HydrophobicContact CB-CD1 3.97Å; L74-I79 HydrophobicContact CD1-CB 4.22Å; L74-I79 HydrophobicContact CD1-CG2 4.38Å; G77-I79 PolarHBondContact O-N 3.36Å; I79-A81 VanDerWaalsContact CG2-O 3.25Å; I79-A81 WeakPolarHBondContact CG2-O 3.22Å; I79-I82 HydrophobicContact CG2-CG1 4.01Å; I79-A115 VanDerWaalsContact O-CB 3.29Å; I79-A115 WeakPolarHBondContact O-CB 3.31Å
80S89.1Confident91.2Very high61 Ų6150.3 Ų50.343%0.42726%0.255SS..  trans-87.5-19.4177.8590000113.4S21 S116S21-S80 PolarHBondContact O-N 3.47Å; S21-S80 PolarHBondContact O-OG 2.89Å; S80-S116 PolarHBondContact O-N 2.81Å; S80-S116 PolarHBondContact O-OG 3.12Å
81A91.4Very high91.5Very high5 Ų552.6 Ų52.64%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-144.9139.4179.900000112.8S21 C22 L23 I79 S116S21-A81 PolarHBondContact O-N 3.11Å; C22-A81 WeakPolarHBondContact CA-O 3.48Å; L23-A81 PolarHBondContact N-O 2.91Å; I79-A81 VanDerWaalsContact CG2-O 3.25Å; I79-A81 WeakPolarHBondContact CG2-O 3.22Å; A81-S116 CarbonylContact C-O 3.57Å; A81-S116 WeakPolarHBondContact CA-O 3.43Å
82I94.4Very high91.7Very high0 Ų054.7 Ų54.70%027%0.273CS..EExtended strand (participates in β ladder)trans-120.1121.8170.9-49.7175.3000108.2L23 V25 L74 I79 L108 A115 S116 C118L23-I82 CarbonylContact O-C 3.54Å; L23-I82 WeakPolarHBondContact O-CA 3.23Å; V25-I82 HydrophobicContact CG2-CG2 3.79Å; L74-I82 HydrophobicContact CD1-CD1 3.84Å; L74-I82 HydrophobicContact CD2-CD1 4.14Å; I79-I82 HydrophobicContact CG2-CG1 4.01Å; I82-L108 HydrophobicContact CD1-CD2 3.93Å; I82-L108 HydrophobicContact CG2-CD1 3.73Å; I82-L108 HydrophobicContact CG2-CD2 4.4Å; I82-A115 HydrophobicContact CD1-CB 4.18Å; I82-A115 HydrophobicContact CG1-CB 4.05Å; I82-S116 PolarHBondContact N-O 2.85Å; I82-C118 PolarHBondContact O-N 3.22Å
83V95.9Very high92Very high0 Ų055.5 Ų55.50%028%0.278CS..EExtended strand (participates in β ladder)trans-109.5107.9-179.7-179.20000109.4I6 L11 L23 I24 V25 C118 L120I6-V83 HydrophobicContact CD1-CG2 4.4Å; I6-V83 HydrophobicContact CG2-CG1 3.86Å; L11-V83 HydrophobicContact CD1-CB 4.47Å; L11-V83 HydrophobicContact CD1-CG1 4.21Å; L11-V83 HydrophobicContact CD1-CG2 4.2Å; L11-V83 HydrophobicContact CD2-CG1 4.31Å; L23-V83 PolarHBondContact O-N 2.97Å; I24-V83 CarbonylContact C-O 3.33Å; I24-V83 WeakPolarHBondContact CA-O 3.35Å; V25-V83 PolarHBondContact N-O 2.94Å; V83-C118 CarbonylContact C-O 3.45Å; V83-C118 WeakPolarHBondContact CA-O 3.44Å; V83-C118 HydrophobicContact CG2-CB 4.01Å; V83-L120 HydrophobicContact CG1-CB 4.36Å
84A97.1Very high92.3Very high0 Ų058.7 Ų58.70%029%0.294CS..EExtended strand (participates in β ladder)trans-86.9145.5171.100000111.1V25 V104 I105 C118 F119 L120V25-A84 WeakPolarHBondContact O-CA 3.46Å; A84-V104 HydrophobicContact CB-CG1 4.15Å; A84-I105 HydrophobicContact CB-CG1 4.43Å; A84-C118 PolarHBondContact N-O 2.83Å; A84-F119 HydrophobicContact CB-CD2 4.22Å; A84-F119 WeakPolarHBondContact O-CA 3.33Å; A84-F119 WeakPolarHBondContact O-CD2 3.34Å; A84-L120 PolarHBondContact O-N 3.14Å
85L97.4Very high92.5Very high0 Ų059 Ų590%030%0.296CS..EExtended strand (participates in β ladder)trans-146.3153175.870.192000112.1I24 V25 D26 C27 I38 L120 Y124I24-L85 HydrophobicContact CG2-CD2 3.72Å; V25-L85 PolarHBondContact O-N 3.5Å; V25-L85 VanDerWaalsContact O-N 3.08Å; D26-L85 HydrophobicContact CB-CD1 4.39Å; D26-L85 WeakPolarHBondContact OD1-CD1 3.43Å; C27-L85 WeakPolarHBondContact CA-O 3.35Å; C27-L85 WeakPolarHBondContact CB-O 3.49Å; C27-L85 PolarHBondContact N-O 3.38Å; C27-L85 PolarHBondContact SG-O 3.45Å; I38-L85 HydrophobicContact CD1-CD2 3.55Å; I38-L85 HydrophobicContact CG1-CD2 4.3Å; L85-L120 HydrophobicContact CB-CB 3.71Å; L85-L120 HydrophobicContact CB-CD2 3.84Å; L85-L120 HydrophobicContact CB-CG 4.4Å; L85-L120 HydrophobicContact CD2-CD2 3.88Å; L85-L120 HydrophobicContact CG-CD2 4.44Å; L85-Y124 HydrophobicContact CD1-CD2 4.42Å
86D95.9Very high92.7Very high26 Ų2657.1 Ų57.114%0.13929%0.293CS..  trans-119.5-164.3168.778.2-28.1000110.2R88 T89 A101 G123 Y124D86-R88 PolarHBondContact OD1-N 2.81Å; D86-T89 WeakPolarHBondContact OD1-CB 3.48Å; D86-T89 PolarHBondContact OD1-N 3.17Å; D86-T89 WeakPolarHBondContact OD2-CB 3.26Å; D86-T89 PolarHBondContact OD2-N 3.27Å; D86-T89 PolarHBondContact OD2-OG1 3.47Å; D86-A101 HydrophobicContact CB-CB 4.25Å; D86-G123 CarbonylContact O-C 3.58Å; D86-G123 WeakPolarHBondContact O-CA 2.91Å; D86-Y124 PolarHBondContact O-N 3.36Å
87D91Very high92.8Very high46 Ų4660 Ų6025%0.24630%0.304CS..SBendtrans-63.9-49.5177.8-73-63.7000113R28 G123 Y124 E125R28-D87 WeakPolarHBondContact CD-OD1 3.39Å; R28-D87 HydrophobicContact CG-CB 4.47Å; R28-D87 WeakPolarHBondContact CG-OD1 3.44Å; D87-G123 CarbonylContact O-C 3.58Å; D87-Y124 PolarHBondContact O-N 3.42Å; D87-E125 WeakPolarHBondContact O-CG 3.47Å; D87-E125 PolarHBondContact O-N 2.85Å
88R93.7Very high92.8Very high172 Ų17262.2 Ų62.265%0.64930%0.302SS*.SBendtrans-1548-162.760.6178.7171.7-109.91.2117.3D86 S90 G122 E125D86-R88 PolarHBondContact OD1-N 2.81Å; R88-S90 PolarHBondContact O-N 2.86Å; R88-G122 WeakPolarHBondContact CA-O 3.32Å; R88-E125 IonicContact NH1-OE1 3.44Å; R88-E125 PolarHBondContact NH1-OE1 3.05Å
89T94.8Very high93Very high28 Ų2860.7 Ų60.717%0.17229%0.291CS..  trans-71.3124.2-173.8-68.80000111.5D86 H91 K94 L95 F119 G122D86-T89 WeakPolarHBondContact OD1-CB 3.48Å; D86-T89 PolarHBondContact OD1-N 3.17Å; D86-T89 WeakPolarHBondContact OD2-CB 3.26Å; D86-T89 PolarHBondContact OD2-N 3.27Å; D86-T89 PolarHBondContact OD2-OG1 3.47Å; T89-H91 VanDerWaalsContact C-N 3.32Å; T89-H91 WeakPolarHBondContact CG2-O 3.24Å; T89-H91 PolarHBondContact O-N 3.01Å; T89-K94 HydrophobicContact CG2-CB 4.22Å; T89-L95 HydrophobicContact CG2-CD2 3.82Å; T89-L95 HydrophobicContact CG2-CG 4.12Å; T89-F119 HydrophobicContact CG2-CE1 4.12Å; T89-F119 HydrophobicContact CG2-CZ 4.31Å; T89-G122 WeakPolarHBondContact O-CA 3.27Å; T89-G122 PolarHBondContact O-N 3.27Å
90S92.4Very high93.2Very high57 Ų5762.4 Ų62.440%0.39930%0.302SS..SBendtrans-67.2-25.4-177.250.20000114.8R88 K94R88-S90 PolarHBondContact O-N 2.86Å; S90-K94 WeakPolarHBondContact OG-CD 3.35Å; S90-K94 PolarHBondContact OG-NZ 3.04Å
91H94.3Very high93.6Very high49 Ų4959.6 Ų59.623%0.22728%0.283CS..  trans-160.1141.7-179.4-158.2-103.7000111.5S5 T89 Q93 K94S5-H91 PolarHBondContact OG-CD2 3.11Å; S5-H91 PolarHBondContact OG-CE1 2.68Å; S5-H91 PolarHBondContact OG-NE2 3.41Å; T89-H91 VanDerWaalsContact C-N 3.32Å; T89-H91 WeakPolarHBondContact CG2-O 3.24Å; T89-H91 PolarHBondContact O-N 3.01Å; H91-Q93 PolarHBondContact CE1-OE1 2.87Å; H91-Q93 PolarHBondContact ND1-OE1 3.47Å; H91-Q93 VanDerWaalsContact ND1-OE1 3.15Å; H91-Q93 PolarHBondContact O-N 2.89Å; H91-Q93 VanDerWaalsContact O-N 3.12Å; H91-K94 HydrophobicContact CB-CG 4.48Å; H91-K94 WeakPolarHBondContact O-CB 3.21Å; H91-K94 PolarHBondContact O-N 2.87Å
92W93.3Very high93.8Very high61 Ų6160.6 Ų60.623%0.23129%0.286CS..G310 helixtrans-57-33.5-17665.9-99.4000113.9V3 K94 L95 I105 F119V3-W92 HydrophobicContact CB-CD2 4.47Å; V3-W92 HydrophobicContact CB-CZ2 4.28Å; V3-W92 HydrophobicContact CG1-CD2 4.01Å; V3-W92 HydrophobicContact CG1-CG 3.96Å; W92-K94 PolarHBondContact O-N 2.85Å; W92-L95 HydrophobicContact CB-CD1 4.19Å; W92-L95 VanDerWaalsContact O-CB 3.3Å; W92-L95 WeakPolarHBondContact O-CB 3.12Å; W92-L95 VanDerWaalsContact O-CG 3.3Å; W92-L95 WeakPolarHBondContact O-CG 3.22Å; W92-L95 PolarHBondContact O-N 2.72Å; W92-I105 HydrophobicContact CB-CD1 3.73Å; W92-F119 HydrophobicContact CB-CB 3.75Å; W92-F119 HydrophobicContact CB-CD1 3.88Å; W92-F119 HydrophobicContact CB-CD2 4.4Å; W92-F119 HydrophobicContact CB-CG 3.73Å; W92-F119 HydrophobicContact CG-CB 4.39Å
93Q93.5Very high93.8Very high135 Ų13560.6 Ų60.663%0.63129%0.286SS*.G310 helixtrans-64.2-10.6176.9-66.1173.1-50.200114.3H91H91-Q93 PolarHBondContact CE1-OE1 2.87Å; H91-Q93 PolarHBondContact ND1-OE1 3.47Å; H91-Q93 VanDerWaalsContact ND1-OE1 3.15Å; H91-Q93 PolarHBondContact O-N 2.89Å; H91-Q93 VanDerWaalsContact O-N 3.12Å
94K94.3Very high93.8Very high143 Ų14360.6 Ų60.662%0.62229%0.286SS*.G310 helixtrans-99.30.3176-60.1-179.2-178.1177.70113.1T89 S90 H91 W92T89-K94 HydrophobicContact CG2-CB 4.22Å; S90-K94 WeakPolarHBondContact OG-CD 3.35Å; S90-K94 PolarHBondContact OG-NZ 3.04Å; H91-K94 HydrophobicContact CB-CG 4.48Å; H91-K94 WeakPolarHBondContact O-CB 3.21Å; H91-K94 PolarHBondContact O-N 2.87Å; W92-K94 PolarHBondContact O-N 2.85Å
95L93.3Very high93.7Very high18 Ų1860.7 Ų60.79%0.09429%0.287CS..SBendtrans-65.8145.2176-69.5169.9000110.6T89 W92 A101 Q102 I105 F119T89-L95 HydrophobicContact CG2-CD2 3.82Å; T89-L95 HydrophobicContact CG2-CG 4.12Å; W92-L95 HydrophobicContact CB-CD1 4.19Å; W92-L95 VanDerWaalsContact O-CB 3.3Å; W92-L95 WeakPolarHBondContact O-CB 3.12Å; W92-L95 VanDerWaalsContact O-CG 3.3Å; W92-L95 WeakPolarHBondContact O-CG 3.22Å; W92-L95 PolarHBondContact O-N 2.72Å; L95-A101 HydrophobicContact CD1-CB 3.87Å; L95-A101 HydrophobicContact CD2-CB 3.84Å; L95-Q102 HydrophobicContact CB-CB 4.22Å; L95-I105 HydrophobicContact CD1-CD1 3.59Å; L95-F119 HydrophobicContact CD1-CD2 4.36Å; L95-F119 HydrophobicContact CD1-CE2 3.99Å; L95-F119 HydrophobicContact CD1-CZ 4.27Å; L95-F119 HydrophobicContact CD2-CE2 4.4Å; L95-F119 HydrophobicContact CD2-CZ 4.1Å; L95-F119 HydrophobicContact CG-CZ 4.46Å
96K92.4Very high93.6Very high156 Ų15663 Ų6368%0.67830%0.299SS*.  trans-70.1143.5172.3-56-177.6177.4-178.30109.4D98 S99 Q102K96-D98 VanDerWaalsContact CB-OD1 3.24Å; K96-D98 WeakPolarHBondContact CB-OD1 3.44Å; K96-D98 PolarHBondContact O-N 3Å; K96-D98 VanDerWaalsContact O-N 3.14Å; K96-S99 VanDerWaalsContact O-CB 3.31Å; K96-S99 WeakPolarHBondContact O-CB 3.36Å; K96-S99 PolarHBondContact O-N 3.43Å; K96-S99 PolarHBondContact O-OG 2.56Å; K96-Q102 VanDerWaalsContact O-CB 3.26Å; K96-Q102 WeakPolarHBondContact O-CB 3.42Å
97K89Confident93.5Very high183 Ų18362.1 Ų62.180%0.79630%0.295SS*.THydrogen-bonded Turntrans-56.5-32.4-176.7-69.6-174.5176.7-178.50113.6G56G56-K97 WeakPolarHBondContact CA-O 3.26Å
98D86Confident93.5Very high102 Ų10259.9 Ų59.955%0.54528%0.283SS..THydrogen-bonded Turntrans-95.4-0.3-179.962.6-32.8000113.8V51 K96V51-D98 WeakPolarHBondContact CG1-O 3.41Å; K96-D98 VanDerWaalsContact CB-OD1 3.24Å; K96-D98 WeakPolarHBondContact CB-OD1 3.44Å; K96-D98 PolarHBondContact O-N 3Å; K96-D98 VanDerWaalsContact O-N 3.14Å
99S93.4Very high93.4Very high28 Ų2853.1 Ų53.120%0.19626%0.262CS..SBendtrans-69.7147.4179.667.30000112.2K96 A101 Q102 I103K96-S99 VanDerWaalsContact O-CB 3.31Å; K96-S99 WeakPolarHBondContact O-CB 3.36Å; K96-S99 PolarHBondContact O-N 3.43Å; K96-S99 PolarHBondContact O-OG 2.56Å; S99-A101 VanDerWaalsContact C-N 3.28Å; S99-A101 PolarHBondContact O-N 2.87Å; S99-Q102 PolarHBondContact O-N 3.09Å; S99-Q102 WeakPolarHBondContact OG-CB 3.44Å; S99-Q102 PolarHBondContact OG-N 2.86Å; S99-I103 PolarHBondContact O-N 2.79Å
100V95.4Very high93Very high40 Ų4058.7 Ų58.724%0.24229%0.286CS..Hα-helixtrans-50.6-48.5175.6-179.80000111C27 V44 L46 V51 Q102 I103 V104C27-V100 HydrophobicContact CB-CG1 4.04Å; C27-V100 WeakPolarHBondContact O-CG1 3.24Å; V44-V100 HydrophobicContact CG2-CG1 3.47Å; V44-V100 VanDerWaalsContact CG2-CG1 3.47Å; L46-V100 HydrophobicContact CB-CG1 4.13Å; L46-V100 HydrophobicContact CD1-CG1 3.71Å; V51-V100 HydrophobicContact CG2-CG2 4.16Å; V100-Q102 VanDerWaalsContact C-N 3.33Å; V100-Q102 PolarHBondContact O-N 2.57Å; V100-I103 PolarHBondContact O-N 3.36Å; V100-V104 WeakPolarHBondContact O-CB 3.46Å; V100-V104 WeakPolarHBondContact O-CG2 3.2Å; V100-V104 PolarHBondContact O-N 3.28Å
101A95.9Very high92.5Very high3 Ų357.9 Ų57.93%0.02528%0.276CS..Hα-helixtrans-63.3-33.6178.500000113.5C27 D86 L95 S99 I105 F119C27-A101 HydrophobicContact CB-CB 3.79Å; D86-A101 HydrophobicContact CB-CB 4.25Å; L95-A101 HydrophobicContact CD1-CB 3.87Å; L95-A101 HydrophobicContact CD2-CB 3.84Å; S99-A101 VanDerWaalsContact C-N 3.28Å; S99-A101 PolarHBondContact O-N 2.87Å; A101-I105 WeakPolarHBondContact O-CB 3.38Å; A101-I105 VanDerWaalsContact O-CG1 3.28Å; A101-I105 WeakPolarHBondContact O-CG1 3.3Å; A101-I105 PolarHBondContact O-N 3.36Å; A101-F119 HydrophobicContact CB-CE2 4.22Å
102Q95.7Very high91.2Very high25 Ų2561.1 Ų61.112%0.11731%0.312CS..Hα-helixtrans-71.4-41.1175.5-172.362.36400112L95 K96 S99 V100 V104 I105 N106L95-Q102 HydrophobicContact CB-CB 4.22Å; K96-Q102 VanDerWaalsContact O-CB 3.26Å; K96-Q102 WeakPolarHBondContact O-CB 3.42Å; S99-Q102 PolarHBondContact O-N 3.09Å; S99-Q102 WeakPolarHBondContact OG-CB 3.44Å; S99-Q102 PolarHBondContact OG-N 2.86Å; V100-Q102 VanDerWaalsContact C-N 3.33Å; V100-Q102 PolarHBondContact O-N 2.57Å; Q102-V104 VanDerWaalsContact C-N 3.3Å; Q102-V104 PolarHBondContact O-N 3.41Å; Q102-I105 PolarHBondContact O-N 2.92Å; Q102-N106 PolarHBondContact NE2-OD1 3.41Å; Q102-N106 WeakPolarHBondContact O-CB 3.33Å; Q102-N106 PolarHBondContact O-N 2.8Å; Q102-N106 PolarHBondContact O-ND2 3.32Å; Q102-N106 PolarHBondContact O-OD1 3.37Å
103I95.9Very high90.2Very high0 Ų059.5 Ų59.50%031%0.31CS..Hα-helixtrans-60.4-42.6174.3-68.6160000110.4L46 V51 S54 V59 S99 V100 N106 T107L46-I103 HydrophobicContact CD1-CG2 4.19Å; V51-I103 HydrophobicContact CB-CD1 4.19Å; V51-I103 HydrophobicContact CG1-CD1 3.81Å; V51-I103 HydrophobicContact CG2-CD1 4.14Å; S54-I103 VanDerWaalsContact OG-CD1 3.27Å; S54-I103 WeakPolarHBondContact OG-CD1 3.3Å; V59-I103 HydrophobicContact CG1-CG2 3.89Å; V59-I103 HydrophobicContact CG2-CG2 3.89Å; S99-I103 PolarHBondContact O-N 2.79Å; V100-I103 PolarHBondContact O-N 3.36Å; I103-N106 PolarHBondContact O-N 2.97Å; I103-T107 WeakPolarHBondContact O-CB 3.47Å; I103-T107 PolarHBondContact O-N 2.89Å; I103-T107 PolarHBondContact O-OG1 2.96Å
104V95.8Very high89.5Confident0 Ų057.1 Ų57.10%032%0.321CS..Hα-helixtrans-60.3-53.2174.2167.40000110.8V25 V44 L46 V64 A84 V100 Q102 N106 T107 L108V25-V104 HydrophobicContact CG1-CG1 4Å; V44-V104 HydrophobicContact CB-CG2 4.48Å; V44-V104 HydrophobicContact CG1-CG2 3.76Å; L46-V104 HydrophobicContact CD1-CG2 3.66Å; V64-V104 HydrophobicContact CG1-CB 4.31Å; V64-V104 HydrophobicContact CG1-CG1 3.78Å; V64-V104 HydrophobicContact CG1-CG2 4.09Å; V64-V104 HydrophobicContact CG2-CG2 4.17Å; A84-V104 HydrophobicContact CB-CG1 4.15Å; V100-V104 WeakPolarHBondContact O-CB 3.46Å; V100-V104 WeakPolarHBondContact O-CG2 3.2Å; V100-V104 PolarHBondContact O-N 3.28Å; Q102-V104 VanDerWaalsContact C-N 3.3Å; Q102-V104 PolarHBondContact O-N 3.41Å; V104-N106 VanDerWaalsContact C-N 3.3Å; V104-N106 PolarHBondContact O-N 3.29Å; V104-T107 PolarHBondContact O-N 3.21Å; V104-L108 HydrophobicContact CG1-CD1 3.78Å; V104-L108 HydrophobicContact CG1-CG 4.3Å; V104-L108 WeakPolarHBondContact O-CB 3.2Å; V104-L108 VanDerWaalsContact O-CG 3.27Å; V104-L108 WeakPolarHBondContact O-CG 3.37Å; V104-L108 PolarHBondContact O-N 2.88Å
105I94.8Very high89.3Confident2 Ų250.3 Ų50.31%0.0129%0.292CS..Hα-helixtrans-58.8-42178.9-73.7173.2000111.7V3 A84 W92 L95 A101 Q102 S109 F119V3-I105 HydrophobicContact CG1-CG2 4.15Å; V3-I105 HydrophobicContact CG2-CG2 3.73Å; A84-I105 HydrophobicContact CB-CG1 4.43Å; W92-I105 HydrophobicContact CB-CD1 3.73Å; L95-I105 HydrophobicContact CD1-CD1 3.59Å; A101-I105 WeakPolarHBondContact O-CB 3.38Å; A101-I105 VanDerWaalsContact O-CG1 3.28Å; A101-I105 WeakPolarHBondContact O-CG1 3.3Å; A101-I105 PolarHBondContact O-N 3.36Å; Q102-I105 PolarHBondContact O-N 2.92Å; I105-S109 VanDerWaalsContact O-CB 3.24Å; I105-S109 WeakPolarHBondContact O-CB 3.5Å; I105-S109 PolarHBondContact O-N 2.77Å; I105-S109 PolarHBondContact O-OG 2.93Å; I105-F119 HydrophobicContact CD1-CB 4.33Å; I105-F119 HydrophobicContact CD1-CD2 3.82Å; I105-F119 HydrophobicContact CD1-CG 4.28Å
106N94.1Very high89.2Confident49 Ų4952.4 Ų52.426%0.26231%0.308SS..Hα-helixtrans-64.1-49.4178-70.4-8.6000110.6G56 Q102 I103 V104 L108 S109 H110G56-N106 PolarHBondContact O-ND2 2.96Å; Q102-N106 PolarHBondContact NE2-OD1 3.41Å; Q102-N106 WeakPolarHBondContact O-CB 3.33Å; Q102-N106 PolarHBondContact O-N 2.8Å; Q102-N106 PolarHBondContact O-ND2 3.32Å; Q102-N106 PolarHBondContact O-OD1 3.37Å; I103-N106 PolarHBondContact O-N 2.97Å; V104-N106 VanDerWaalsContact C-N 3.3Å; V104-N106 PolarHBondContact O-N 3.29Å; N106-L108 PolarHBondContact O-N 2.97Å; N106-S109 PolarHBondContact O-N 2.67Å; N106-S109 VanDerWaalsContact O-N 3.16Å; N106-H110 PolarHBondContact O-CD2 2.75Å; N106-H110 PolarHBondContact O-N 3.11Å
107T94Very high89.3Confident7 Ų745 Ų454%0.04328%0.276CS..Hα-helixtrans-56-49.1176.2-570000112.1P58 V59 L61 V64 I103 V104 S109 H110P58-T107 WeakPolarHBondContact CA-OG1 3.43Å; V59-T107 HydrophobicContact CG2-CG2 4.42Å; V59-T107 WeakPolarHBondContact CG2-OG1 3.31Å; V59-T107 PolarHBondContact N-OG1 3.28Å; V59-T107 WeakPolarHBondContact O-CG2 3.3Å; L61-T107 HydrophobicContact CD1-CG2 4.29Å; V64-T107 HydrophobicContact CG2-CG2 3.79Å; I103-T107 WeakPolarHBondContact O-CB 3.47Å; I103-T107 PolarHBondContact O-N 2.89Å; I103-T107 PolarHBondContact O-OG1 2.96Å; V104-T107 PolarHBondContact O-N 3.21Å; T107-S109 VanDerWaalsContact C-N 3.33Å; T107-S109 PolarHBondContact O-N 3.04Å; T107-H110 PolarHBondContact O-N 3.4Å
108L91.9Very high89.6Confident0 Ų036.9 Ų36.90%024%0.242CC..Hα-helixtrans-63.9-38.6178.4-65.4176.1000111.5L61 V64 I65 I82 V104 N106 H110 L111 I117L61-L108 HydrophobicContact CD1-CD2 4.31Å; V64-L108 HydrophobicContact CG1-CD2 4.09Å; V64-L108 HydrophobicContact CG1-CG 4.27Å; I65-L108 HydrophobicContact CD1-CD2 4.41Å; I82-L108 HydrophobicContact CD1-CD2 3.93Å; I82-L108 HydrophobicContact CG2-CD1 3.73Å; I82-L108 HydrophobicContact CG2-CD2 4.4Å; V104-L108 HydrophobicContact CG1-CD1 3.78Å; V104-L108 HydrophobicContact CG1-CG 4.3Å; V104-L108 WeakPolarHBondContact O-CB 3.2Å; V104-L108 VanDerWaalsContact O-CG 3.27Å; V104-L108 WeakPolarHBondContact O-CG 3.37Å; V104-L108 PolarHBondContact O-N 2.88Å; N106-L108 PolarHBondContact O-N 2.97Å; L108-H110 PolarHBondContact O-N 2.9Å; L108-L111 HydrophobicContact CB-CD1 4.45Å; L108-L111 HydrophobicContact CD2-CD1 3.66Å; L108-L111 VanDerWaalsContact O-CB 3.26Å; L108-L111 WeakPolarHBondContact O-CB 3.28Å; L108-L111 WeakPolarHBondContact O-CG 3.42Å; L108-L111 PolarHBondContact O-N 3.43Å; L108-I117 HydrophobicContact CB-CD1 3.72Å; L108-I117 HydrophobicContact CB-CG1 4.22Å; L108-I117 WeakPolarHBondContact O-CD1 3.37Å
109S90.4Very high90.1Very high30 Ų3032 Ų3221%0.2122%0.216CC..Hα-helixtrans-67.3-20.8-179.1-62.40000114.1V3 I105 N106 T107V3-S109 WeakPolarHBondContact CG2-OG 3.23Å; I105-S109 VanDerWaalsContact O-CB 3.24Å; I105-S109 WeakPolarHBondContact O-CB 3.5Å; I105-S109 PolarHBondContact O-N 2.77Å; I105-S109 PolarHBondContact O-OG 2.93Å; N106-S109 PolarHBondContact O-N 2.67Å; N106-S109 VanDerWaalsContact O-N 3.16Å; T107-S109 VanDerWaalsContact C-N 3.33Å; T107-S109 PolarHBondContact O-N 3.04Å
110H87Confident90.3Very high145 Ų14530.7 Ų30.767%0.67121%0.207SC*.THydrogen-bonded Turntrans-87-4172.4-79.5-75.4000113.6N106 T107 L108 A112N106-H110 PolarHBondContact O-CD2 2.75Å; N106-H110 PolarHBondContact O-N 3.11Å; T107-H110 PolarHBondContact O-N 3.4Å; L108-H110 PolarHBondContact O-N 2.9Å; H110-A112 PolarHBondContact O-N 2.74Å
111L81.9Confident90.3Very high39 Ų3932.9 Ų32.920%0.20421%0.213CC..  trans-72.2128.3175-65.8172.1000111.6L61 L74 L108 S113L61-L111 HydrophobicContact CD1-CD1 3.98Å; L61-L111 HydrophobicContact CD1-CD2 3.95Å; L61-L111 HydrophobicContact CD1-CG 4.41Å; L61-L111 HydrophobicContact CD2-CD2 3.71Å; L61-L111 HydrophobicContact CG-CD2 4.34Å; L74-L111 HydrophobicContact CD2-CD1 4.02Å; L108-L111 HydrophobicContact CB-CD1 4.45Å; L108-L111 HydrophobicContact CD2-CD1 3.66Å; L108-L111 VanDerWaalsContact O-CB 3.26Å; L108-L111 WeakPolarHBondContact O-CB 3.28Å; L108-L111 WeakPolarHBondContact O-CG 3.42Å; L108-L111 PolarHBondContact O-N 3.43Å; L111-S113 PolarHBondContact O-N 3.26Å
112A67.8Low90.1Very high117 Ų11733.3 Ų33.397%0.96722%0.218SC*.  trans-74.854.316200000111.1H110H110-A112 PolarHBondContact O-N 2.74Å
113S71.6Confident90.1Very high27 Ų2732.1 Ų32.119%0.18921%0.213CC..  trans-104.3160172.972.70000110.5M1 L111 A115M1-S113 WeakPolarHBondContact CE-O 3.1Å; L111-S113 PolarHBondContact O-N 3.26Å; S113-A115 VanDerWaalsContact C-N 3.26Å; S113-A115 PolarHBondContact OG-N 3.39Å
114G79.8Confident90.2Very high85 Ų8532.8 Ų32.888%0.87622%0.215SC*.SBendtrans-80.6-3.7169.200000114.1
115A88.4Confident90Very high1 Ų137.3 Ų37.31%0.00824%0.236CC..PPolyproline II helixtrans-73.8137.1-168.100000112.6M1 L74 I79 I82 S113M1-A115 WeakPolarHBondContact CE-O 3.15Å; L74-A115 HydrophobicContact CD1-CB 4.33Å; I79-A115 VanDerWaalsContact O-CB 3.29Å; I79-A115 WeakPolarHBondContact O-CB 3.31Å; I82-A115 HydrophobicContact CD1-CB 4.18Å; I82-A115 HydrophobicContact CG1-CB 4.05Å; S113-A115 VanDerWaalsContact C-N 3.26Å; S113-A115 PolarHBondContact OG-N 3.39Å
116S91.3Very high90.1Very high61 Ų6140 Ų4043%0.42725%0.251SS..EExtended strand (participates in β ladder)trans-74.5125.8172.259.80000111.8S80 A81 I82S80-S116 PolarHBondContact O-N 2.81Å; S80-S116 PolarHBondContact O-OG 3.12Å; A81-S116 CarbonylContact C-O 3.57Å; A81-S116 WeakPolarHBondContact CA-O 3.43Å; I82-S116 PolarHBondContact N-O 2.85Å
117I94.5Very high90.2Very high1 Ų137.7 Ų37.71%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-90.4125.9176.5-57.4164.4000109.8M1 V3 S4 L108M1-I117 HydrophobicContact CB-CD1 4.49Å; M1-I117 HydrophobicContact CG-CD1 4.3Å; M1-I117 HydrophobicContact SD-CD1 3.36Å; M1-I117 WeakPolarHBondContact SD-CD1 3.42Å; M1-I117 HydrophobicContact SD-CG1 3.58Å; M1-I117 VanDerWaalsContact SD-CG1 3.58Å; V3-I117 HydrophobicContact CG1-CG2 4.25Å; V3-I117 HydrophobicContact CG2-CG2 4.3Å; S4-I117 PolarHBondContact N-O 3.43Å; S4-I117 PolarHBondContact OG-O 3.36Å; S4-I117 VanDerWaalsContact OG-O 3.05Å; L108-I117 HydrophobicContact CB-CD1 3.72Å; L108-I117 HydrophobicContact CB-CG1 4.22Å; L108-I117 WeakPolarHBondContact O-CD1 3.37Å
118C95.3Very high90.2Very high13 Ų1341.6 Ų41.69%0.08825%0.253CS..EExtended strand (participates in β ladder)trans-124146.7179.3-64.30000110.6S4 I6 I82 V83 A84S4-C118 CarbonylContact O-C 3.48Å; S4-C118 WeakPolarHBondContact O-CA 3.15Å; S4-C118 PolarHBondContact OG-SG 3.37Å; I6-C118 HydrophobicContact CB-CB 4.1Å; I6-C118 HydrophobicContact CG2-CB 3.9Å; I82-C118 PolarHBondContact O-N 3.22Å; V83-C118 CarbonylContact C-O 3.45Å; V83-C118 WeakPolarHBondContact CA-O 3.44Å; V83-C118 HydrophobicContact CG2-CB 4.01Å; A84-C118 PolarHBondContact N-O 2.83Å
119F97.1Very high90.2Very high0 Ų045.8 Ų45.80%028%0.282CS..EExtended strand (participates in β ladder)trans-117.6132.8167.9-176.4-97000111.5S4 S5 I6 A84 T89 W92 L95 A101 I105 K121S4-F119 PolarHBondContact O-N 3.01Å; S5-F119 CarbonylContact C-O 3.44Å; S5-F119 WeakPolarHBondContact CA-O 3.47Å; I6-F119 PolarHBondContact N-O 2.88Å; A84-F119 HydrophobicContact CB-CD2 4.22Å; A84-F119 WeakPolarHBondContact O-CA 3.33Å; A84-F119 WeakPolarHBondContact O-CD2 3.34Å; T89-F119 HydrophobicContact CG2-CE1 4.12Å; T89-F119 HydrophobicContact CG2-CZ 4.31Å; W92-F119 HydrophobicContact CB-CB 3.75Å; W92-F119 HydrophobicContact CB-CD1 3.88Å; W92-F119 HydrophobicContact CB-CD2 4.4Å; W92-F119 HydrophobicContact CB-CG 3.73Å; W92-F119 HydrophobicContact CG-CB 4.39Å; L95-F119 HydrophobicContact CD1-CD2 4.36Å; L95-F119 HydrophobicContact CD1-CE2 3.99Å; L95-F119 HydrophobicContact CD1-CZ 4.27Å; L95-F119 HydrophobicContact CD2-CE2 4.4Å; L95-F119 HydrophobicContact CD2-CZ 4.1Å; L95-F119 HydrophobicContact CG-CZ 4.46Å; A101-F119 HydrophobicContact CB-CE2 4.22Å; I105-F119 HydrophobicContact CD1-CB 4.33Å; I105-F119 HydrophobicContact CD1-CD2 3.82Å; I105-F119 HydrophobicContact CD1-CG 4.28Å; F119-K121 PolarHBondContact O-N 3.36Å
120L97.6Very high90.5Very high0 Ų048.1 Ų48.10%029%0.29CS..EExtended strand (participates in β ladder)trans-74.8114.9-176.6-177.457.5000112.2I6 L11 I38 V83 A84 L85 G122 G123 F127I6-L120 HydrophobicContact CG2-CB 4.43Å; I6-L120 HydrophobicContact CG2-CD1 4.29Å; L11-L120 HydrophobicContact CB-CD1 4.29Å; L11-L120 HydrophobicContact CD2-CD1 3.72Å; L11-L120 HydrophobicContact CD2-CD2 3.63Å; L11-L120 HydrophobicContact CD2-CG 4.23Å; I38-L120 HydrophobicContact CD1-CD2 4.1Å; V83-L120 HydrophobicContact CG1-CB 4.36Å; A84-L120 PolarHBondContact O-N 3.14Å; L85-L120 HydrophobicContact CB-CB 3.71Å; L85-L120 HydrophobicContact CB-CD2 3.84Å; L85-L120 HydrophobicContact CB-CG 4.4Å; L85-L120 HydrophobicContact CD2-CD2 3.88Å; L85-L120 HydrophobicContact CG-CD2 4.44Å; L120-G122 PolarHBondContact O-N 2.77Å; L120-G123 PolarHBondContact O-N 3.18Å; L120-G123 VanDerWaalsContact O-N 3.15Å; L120-F127 HydrophobicContact CD1-CD2 4.44Å; L120-F127 HydrophobicContact CD2-CB 4.01Å; L120-F127 HydrophobicContact CD2-CD2 4.39Å; L120-F127 HydrophobicContact CD2-CG 4.37Å
121K96.1Very high90.8Very high85 Ų8542.8 Ų42.837%0.3726%0.264SS..THydrogen-bonded Turntrans-65.3118.5179.2-66.6180-176178.50111.6I6 F119 N126I6-K121 WeakPolarHBondContact O-CG 3.32Å; I6-K121 PolarHBondContact O-N 2.95Å; F119-K121 PolarHBondContact O-N 3.36Å; K121-N126 PolarHBondContact O-ND2 3.02Å
122G91.4Very high91.3Very high13 Ų1343.6 Ų43.613%0.13427%0.272CS..THydrogen-bonded Turntrans85.39.5-179.900000113.6R88 T89 L120 N126R88-G122 WeakPolarHBondContact CA-O 3.32Å; T89-G122 WeakPolarHBondContact O-CA 3.27Å; T89-G122 PolarHBondContact O-N 3.27Å; L120-G122 PolarHBondContact O-N 2.77Å; G122-N126 WeakPolarHBondContact O-CB 3.49Å; G122-N126 PolarHBondContact O-N 3.35Å
123G95.6Very high92.3Very high0 Ų041.8 Ų41.80%024%0.243CC..Hα-helixtrans60.1-158.2175.800000114.7D86 D87 L120 F127D86-G123 CarbonylContact O-C 3.58Å; D86-G123 WeakPolarHBondContact O-CA 2.91Å; D87-G123 CarbonylContact O-C 3.58Å; L120-G123 PolarHBondContact O-N 3.18Å; L120-G123 VanDerWaalsContact O-N 3.15Å; G123-F127 PolarHBondContact O-N 2.88Å
124Y96.8Very high93.3Very high14 Ų1441.1 Ų41.16%0.05524%0.237CC..Hα-helixtrans-65.3-47.2179.8-173.9-98.9000113.1S36 S37 I38 L85 D86 D87 N126 F127 Y128 C135S36-Y124 VanDerWaalsContact C-OH 3.26Å; S36-Y124 VanDerWaalsContact CB-OH 3.24Å; S36-Y124 WeakPolarHBondContact CB-OH 3.49Å; S36-Y124 PolarHBondContact O-OH 3.03Å; S36-Y124 PolarHBondContact OG-OH 2.84Å; S37-Y124 PolarHBondContact N-OH 2.73Å; I38-Y124 HydrophobicContact CG1-CD2 3.96Å; I38-Y124 HydrophobicContact CG1-CE2 3.8Å; L85-Y124 HydrophobicContact CD1-CD2 4.42Å; D86-Y124 PolarHBondContact O-N 3.36Å; D87-Y124 PolarHBondContact O-N 3.42Å; Y124-N126 VanDerWaalsContact C-N 3.27Å; Y124-N126 PolarHBondContact O-N 3.43Å; Y124-F127 PolarHBondContact O-N 3.11Å; Y124-Y128 AromaticContact CE1-CD2 3.8Å; Y124-Y128 HydrophobicContact CE1-CD2 3.8Å; Y124-Y128 HydrophobicContact CE1-CG 4.06Å; Y124-Y128 AromaticContact CZ-CD2 3.78Å; Y124-Y128 WeakPolarHBondContact O-CB 3.31Å; Y124-Y128 PolarHBondContact O-N 3.25Å; Y124-Y128 VanDerWaalsContact OH-CD2 3.29Å; Y124-Y128 WeakPolarHBondContact OH-CD2 3.43Å; Y124-C135 WeakPolarHBondContact OH-CB 3.41Å; Y124-C135 PolarHBondContact OH-SG 3.19Å
125E93.4Very high93.9Very high94 Ų9437.4 Ų37.444%0.43920%0.198SC..Hα-helixtrans-56.5-42.2-175.4-68.2173.3-164.500111.3D87 R88 S129D87-E125 WeakPolarHBondContact O-CG 3.47Å; D87-E125 PolarHBondContact O-N 2.85Å; R88-E125 IonicContact NH1-OE1 3.44Å; R88-E125 PolarHBondContact NH1-OE1 3.05Å; E125-S129 WeakPolarHBondContact O-CB 3.3Å; E125-S129 PolarHBondContact O-N 3.03Å; E125-S129 VanDerWaalsContact O-N 3.09Å; E125-S129 PolarHBondContact O-OG 3.43Å
126N95.8Very high93.7Very high60 Ų6040.6 Ų40.632%0.32122%0.217SC..Hα-helixtrans-71.2-32.3177.6-17538.5000113.2C8 K121 G122 Y124 S129 Q130C8-N126 PolarHBondContact SG-ND2 3.18Å; C8-N126 VanDerWaalsContact SG-ND2 3.44Å; K121-N126 PolarHBondContact O-ND2 3.02Å; G122-N126 WeakPolarHBondContact O-CB 3.49Å; G122-N126 PolarHBondContact O-N 3.35Å; Y124-N126 VanDerWaalsContact C-N 3.27Å; Y124-N126 PolarHBondContact O-N 3.43Å; N126-S129 PolarHBondContact O-OG 2.96Å; N126-Q130 WeakPolarHBondContact O-CG 3.28Å; N126-Q130 PolarHBondContact O-NE2 3.45Å; N126-Q130 PolarHBondContact OD1-NE2 3.26Å
127F96.6Very high92.2Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-74.6-44.8176.1-174.5-88.2000111.4C8 L11 I15 I38 L120 G123 Y124 Q130 Y131 L134C8-F127 HydrophobicContact CB-CD2 3.72Å; C8-F127 HydrophobicContact CB-CE2 4.39Å; L11-F127 HydrophobicContact CB-CD2 4.41Å; L11-F127 HydrophobicContact CB-CE2 3.92Å; L11-F127 HydrophobicContact CD2-CD2 3.83Å; L11-F127 HydrophobicContact CD2-CE2 3.73Å; L11-F127 HydrophobicContact CD2-CZ 4.37Å; L11-F127 HydrophobicContact CG-CD2 4.31Å; L11-F127 HydrophobicContact CG-CE2 3.74Å; L11-F127 HydrophobicContact CG-CZ 4.34Å; I15-F127 HydrophobicContact CD1-CE2 4.48Å; I15-F127 HydrophobicContact CD1-CZ 3.79Å; I38-F127 HydrophobicContact CD1-CB 4.41Å; I38-F127 HydrophobicContact CD1-CD1 3.52Å; I38-F127 HydrophobicContact CD1-CD2 4.38Å; I38-F127 HydrophobicContact CD1-CE1 3.81Å; I38-F127 HydrophobicContact CD1-CG 3.84Å; I38-F127 HydrophobicContact CD1-CZ 4.37Å; I38-F127 HydrophobicContact CG1-CD1 3.87Å; I38-F127 HydrophobicContact CG1-CE1 4.04Å; I38-F127 HydrophobicContact CG2-CE1 4.12Å; I38-F127 HydrophobicContact CG2-CZ 4.5Å; L120-F127 HydrophobicContact CD1-CD2 4.44Å; L120-F127 HydrophobicContact CD2-CB 4.01Å; L120-F127 HydrophobicContact CD2-CD2 4.39Å; L120-F127 HydrophobicContact CD2-CG 4.37Å; G123-F127 PolarHBondContact O-N 2.88Å; Y124-F127 PolarHBondContact O-N 3.11Å; F127-Q130 PolarHBondContact O-N 3.25Å; F127-Y131 HydrophobicContact CD2-CD2 4.17Å; F127-Y131 AromaticContact CE2-CD2 3.84Å; F127-Y131 HydrophobicContact CE2-CD2 3.84Å; F127-Y131 HydrophobicContact CZ-CD2 4.17Å; F127-Y131 PolarHBondContact O-N 3.02Å; F127-L134 HydrophobicContact CE1-CB 4Å; F127-L134 HydrophobicContact CZ-CB 4.12Å; F127-L134 HydrophobicContact CZ-CD1 4.07Å
128Y94.1Very high90Very high89 Ų8944.3 Ų44.335%0.34923%0.233SC..Hα-helixtrans-58.5-48.6178.1-177.5-92.3000112.3Y124 Q130 Y131 P132 C135 E137Y124-Y128 AromaticContact CE1-CD2 3.8Å; Y124-Y128 HydrophobicContact CE1-CD2 3.8Å; Y124-Y128 HydrophobicContact CE1-CG 4.06Å; Y124-Y128 AromaticContact CZ-CD2 3.78Å; Y124-Y128 WeakPolarHBondContact O-CB 3.31Å; Y124-Y128 PolarHBondContact O-N 3.25Å; Y124-Y128 VanDerWaalsContact OH-CD2 3.29Å; Y124-Y128 WeakPolarHBondContact OH-CD2 3.43Å; Y128-Q130 PolarHBondContact O-N 3.41Å; Y128-Y131 PolarHBondContact O-N 3.49Å; Y128-P132 WeakPolarHBondContact O-CD 3.29Å; Y128-P132 VanDerWaalsContact O-N 3.16Å; Y128-C135 HydrophobicContact CD2-CB 4.01Å; Y128-C135 HydrophobicContact CE2-CB 4.32Å; Y128-E137 HydrophobicContact CE2-CG 3.59Å; Y128-E137 VanDerWaalsContact CE2-OE1 3.22Å; Y128-E137 WeakPolarHBondContact CE2-OE1 3.41Å; Y128-E137 PolarHBondContact OH-OE1 3.21Å
129S92Very high87.4Confident87 Ų8750.6 Ų50.661%0.60826%0.259SS*.Hα-helixtrans-63.6-22.9178.550.80000114.1E125 N126E125-S129 WeakPolarHBondContact O-CB 3.3Å; E125-S129 PolarHBondContact O-N 3.03Å; E125-S129 VanDerWaalsContact O-N 3.09Å; E125-S129 PolarHBondContact O-OG 3.43Å; N126-S129 PolarHBondContact O-OG 2.96Å
130Q95.8Very high84.3Confident79 Ų7955.3 Ų55.337%0.36929%0.288SS..Hα-helixtrans-93.9-37176.2-68.2-179.854.600113.3N126 F127 Y128N126-Q130 WeakPolarHBondContact O-CG 3.28Å; N126-Q130 PolarHBondContact O-NE2 3.45Å; N126-Q130 PolarHBondContact OD1-NE2 3.26Å; F127-Q130 PolarHBondContact O-N 3.25Å; Y128-Q130 PolarHBondContact O-N 3.41Å
131Y94.8Very high81.3Confident34 Ų3460 Ų6013%0.13331%0.312CS..  trans-138.757.8-169.1-54.2-48.8000113.7C8 R9 K12 F127 Y128 E133 L134C8-Y131 HydrophobicContact CB-CD2 4.09Å; C8-Y131 HydrophobicContact CB-CE2 3.73Å; C8-Y131 WeakPolarHBondContact O-CE2 3.32Å; R9-Y131 VanDerWaalsContact CG-OH 3.27Å; R9-Y131 WeakPolarHBondContact CG-OH 3.31Å; K12-Y131 HydrophobicContact CB-CD2 3.98Å; K12-Y131 HydrophobicContact CB-CE2 4.03Å; K12-Y131 HydrophobicContact CB-CG 4.45Å; K12-Y131 HydrophobicContact CD-CD1 3.31Å; K12-Y131 HydrophobicContact CD-CD2 3.82Å; K12-Y131 HydrophobicContact CD-CE1 3.42Å; K12-Y131 VanDerWaalsContact CD-CE1 3.42Å; K12-Y131 HydrophobicContact CD-CE2 3.88Å; K12-Y131 HydrophobicContact CD-CG 3.55Å; F127-Y131 HydrophobicContact CD2-CD2 4.17Å; F127-Y131 AromaticContact CE2-CD2 3.84Å; F127-Y131 HydrophobicContact CE2-CD2 3.84Å; F127-Y131 HydrophobicContact CZ-CD2 4.17Å; F127-Y131 PolarHBondContact O-N 3.02Å; Y128-Y131 PolarHBondContact O-N 3.49Å; Y131-E133 VanDerWaalsContact C-OE2 3.3Å; Y131-E133 VanDerWaalsContact CA-OE2 3.24Å; Y131-E133 WeakPolarHBondContact CA-OE2 3.47Å; Y131-E133 PolarHBondContact O-N 3.33Å; Y131-E133 VanDerWaalsContact O-N 3.14Å; Y131-L134 PolarHBondContact O-N 3.06Å
132P90.8Very high78.3Confident56 Ų5661.7 Ų61.736%0.36433%0.325SS..G310 helixtrans-59.5-28179.626-32.9000111.7Y128 L134 C135 E137Y128-P132 WeakPolarHBondContact O-CD 3.29Å; Y128-P132 VanDerWaalsContact O-N 3.16Å; P132-L134 PolarHBondContact O-N 3.01Å; P132-L134 VanDerWaalsContact O-N 3.11Å; P132-C135 PolarHBondContact O-N 3.06Å; P132-E137 WeakPolarHBondContact CB-OE1 3.18Å
133E90.5Very high75.6Confident78 Ų7869.7 Ų69.736%0.36436%0.359SS..G310 helixtrans-65.8-17.9179.190.6-73.9-178.700114K12 R16 K39 Y131K12-E133 WeakPolarHBondContact CE-OE1 3.41Å; K12-E133 IonicContact NZ-OE1 3.57Å; K12-E133 PolarHBondContact NZ-OE1 3.26Å; K12-E133 IonicContact NZ-OE2 2.72Å; R16-E133 IonicContact CZ-OE1 3.54Å; R16-E133 IonicContact NH2-OE1 3.48Å; R16-E133 PolarHBondContact NH2-OE1 3.46Å; K39-E133 PolarHBondContact NZ-O 3.02Å; Y131-E133 VanDerWaalsContact C-OE2 3.3Å; Y131-E133 VanDerWaalsContact CA-OE2 3.24Å; Y131-E133 WeakPolarHBondContact CA-OE2 3.47Å; Y131-E133 PolarHBondContact O-N 3.33Å; Y131-E133 VanDerWaalsContact O-N 3.14Å
134L91.9Very high72.7Confident14 Ų1475.9 Ų75.97%0.07340%0.402CS..G310 helixtrans-97.4-3.5175.8-61.4-177.3000113.2K12 I15 R16 K39 F127 Y131 P132K12-L134 HydrophobicContact CB-CD1 3.74Å; K12-L134 HydrophobicContact CD-CD1 3.77Å; K12-L134 HydrophobicContact CG-CD1 3.61Å; I15-L134 HydrophobicContact CD1-CD1 4.48Å; I15-L134 HydrophobicContact CG2-CD2 4.26Å; R16-L134 HydrophobicContact CG-CD2 4.48Å; K39-L134 WeakPolarHBondContact CB-O 3.44Å; K39-L134 WeakPolarHBondContact CG-O 3.5Å; K39-L134 PolarHBondContact N-O 3.48Å; F127-L134 HydrophobicContact CE1-CB 4Å; F127-L134 HydrophobicContact CZ-CB 4.12Å; F127-L134 HydrophobicContact CZ-CD1 4.07Å; Y131-L134 PolarHBondContact O-N 3.06Å; P132-L134 PolarHBondContact O-N 3.01Å; P132-L134 VanDerWaalsContact O-N 3.11Å
135C91.7Very high69.6Low6 Ų678.3 Ų78.34%0.04143%0.432CS..EExtended strand (participates in β ladder)trans-90.4146.4169.9-66.30000110.9S37 K39 Y124 Y128 P132 E137S37-C135 CarbonylContact O-C 3.55Å; S37-C135 WeakPolarHBondContact O-CA 3.37Å; S37-C135 WeakPolarHBondContact O-CB 3.35Å; K39-C135 VanDerWaalsContact CE-O 3.26Å; K39-C135 WeakPolarHBondContact CE-O 3.46Å; Y124-C135 WeakPolarHBondContact OH-CB 3.41Å; Y124-C135 PolarHBondContact OH-SG 3.19Å; Y128-C135 HydrophobicContact CD2-CB 4.01Å; Y128-C135 HydrophobicContact CE2-CB 4.32Å; P132-C135 PolarHBondContact O-N 3.06Å; C135-E137 VanDerWaalsContact C-N 3.3Å; C135-E137 PolarHBondContact O-N 2.72Å
136T83.6Confident66.6Low68 Ų6880 Ų8042%0.41745%0.448SS..EExtended strand (participates in β ladder)trans-83.183.7163.6-11.60000106.2S36 S37 K39S36-T136 WeakPolarHBondContact CA-O 3.33Å; S36-T136 PolarHBondContact OG-O 2.98Å; S37-T136 PolarHBondContact N-O 2.74Å; S37-T136 PolarHBondContact O-N 3.45Å; S37-T136 PolarHBondContact O-OG1 2.97Å; S37-T136 PolarHBondContact OG-OG1 2.99Å; K39-T136 HydrophobicContact CG-CG2 4.45Å
137E61.6Low63.6Low59 Ų5985.4 Ų85.428%0.27647%0.472SS..EExtended strand (participates in β ladder)trans-75.8136.7165-74.8164.5-151.900109.8Y128 P132 C135 K139Y128-E137 HydrophobicContact CE2-CG 3.59Å; Y128-E137 VanDerWaalsContact CE2-OE1 3.22Å; Y128-E137 WeakPolarHBondContact CE2-OE1 3.41Å; Y128-E137 PolarHBondContact OH-OE1 3.21Å; P132-E137 WeakPolarHBondContact CB-OE1 3.18Å; C135-E137 VanDerWaalsContact C-N 3.3Å; C135-E137 PolarHBondContact O-N 2.72Å; E137-K139 HydrophobicContact CB-CG 4.34Å; E137-K139 PolarHBondContact O-N 3.1Å
138V47.2Very low60.5Low81 Ų8191.7 Ų91.749%0.49151%0.51SS..  trans-69.584.6160.8-177.80000107.5T140V138-T140 PolarHBondContact O-N 3.48Å; V138-T140 VanDerWaalsContact O-N 3.13Å
139K41.9Very low57.6Low145 Ų14593.9 Ų93.963%0.6352%0.524SS*.  trans-60.7115.3-176-71.1-172.7174.6-171.40111.3E137 I141 R162E137-K139 HydrophobicContact CB-CG 4.34Å; E137-K139 PolarHBondContact O-N 3.1Å; K139-I141 HydrophobicContact CB-CG1 4.43Å; K139-I141 PolarHBondContact O-N 2.71Å; K139-R162 WeakPolarHBondContact O-CD 3.37Å; K139-R162 VanDerWaalsContact O-CZ 3.3Å; K139-R162 PolarHBondContact O-NE 2.98Å; K139-R162 PolarHBondContact O-NH1 2.95Å
140T31.7Very low54.8Low100 Ų10097.3 Ų97.361%0.61353%0.528SS*.  trans-79.490.1162.847.70000109.7V138 R162V138-T140 PolarHBondContact O-N 3.48Å; V138-T140 VanDerWaalsContact O-N 3.13Å; T140-R162 HydrophobicContact CG2-CB 4.4Å; T140-R162 HydrophobicContact CG2-CG 4.15Å
141I34.8Very low51.8Low99 Ų99104.8 Ų104.851%0.50855%0.553SS.*  trans-82.2115.9167.8-42.8168.1000107.9K139 Q143 R162K139-I141 HydrophobicContact CB-CG1 4.43Å; K139-I141 PolarHBondContact O-N 2.71Å; I141-Q143 HydrophobicContact CG2-CG 4.39Å; I141-R162 VanDerWaalsContact N-CZ 3.34Å; I141-R162 PolarHBondContact O-NH2 3.48Å
142D32.8Very low48.6Very low119 Ų119109.1 Ų109.164%0.63658%0.582SS**  trans-98.3136.3154.8-73.9-48.6000108.7S160D142-S160 PolarHBondContact OD1-OG 2.97Å
143Q33.7Very low45.9Very low182 Ų182111.5 Ų111.585%0.8560%0.6SS**  trans-149111.7163.8-85.7-163.71.100110.7I141I141-Q143 HydrophobicContact CG2-CG 4.39Å
144S34.2Very low43.1Very low129 Ų129113.3 Ų113.390%0.90262%0.621SS**  trans-179.4148.4139.954.90000107.5
145G33.4Very low40.1Very low66 Ų66122 Ų12268%0.6866%0.661SS**  cis168.1115.8-8.200000109.8
146T29.2Very low37.5Very low128 Ų128126.9 Ų126.979%0.78570%0.696SS**  trans65.4123.7163.1-120000119.9
147E33.7Very low34.9Very low174 Ų174132 Ų13281%0.81372%0.715SS**  trans20.6129.7144.4-59.7167.9-167.700118.9
148T31.5Very low33.6Very low132 Ų132138.8 Ų138.881%0.8174%0.743SS**  cis-169.3176.49.123.80000107.9
149E33.6Very low33Very low136 Ų136142 Ų14264%0.63676%0.757SS**  cis-154.4178.13.7-134.5-153.5144.900112.3
150K32Very low32.7Very low158 Ų158138.1 Ų138.169%0.68775%0.748SS**  trans44.696.9152.9-76.9170.1-175.51260122.1
151R32.4Very low33.2Very low237 Ų237141.5 Ų141.589%0.89476%0.757SS**  94.7125.9112-116.6-178.6-169-178.53.1121.7
152V28.7Very low34.1Very low125 Ų125142.8 Ų142.876%0.75876%0.755SS**  trans93.6104.1154.1-167.60000119.1
153S34.7Very low35.4Very low105 Ų105140 Ų14073%0.73474%0.74SS**  trans21.6115.5155.465.90000121.9
154S30.4Very low37Very low116 Ų116133.5 Ų133.581%0.81171%0.713SS**  -171.5126.6115.435.80000110S156S154-S156 PolarHBondContact O-N 2.61Å
155H30.1Very low38.5Very low196 Ų196132.9 Ų132.991%0.90770%0.7SS**  trans-77.2104.6-178-76.2-28.5000111.5
156S35.5Very low40.4Very low110 Ų110132.3 Ų132.377%0.76968%0.677SS**  trans-149.386.1162.8-171.20000108.5S154S154-S156 PolarHBondContact O-N 2.61Å
157E29.6Very low42.9Very low174 Ų174126.4 Ų126.481%0.81364%0.641SS**  trans-107.6141.2-177.7-69-172.7159.300111.5
158K33.9Very low44.9Very low202 Ų202125 Ų12588%0.87863%0.634SS**PPolyproline II helixtrans-92.8127-159.3-64161.3179.3169.60110.3S160K158-S160 PolarHBondContact O-N 3.15Å
159L35.1Very low47.4Very low149 Ų149120.1 Ų120.178%0.7861%0.61SS**PPolyproline II helixtrans-67.7126177.7-91.772.5000112.3
160S35.8Very low50.3Low64 Ų64118 Ų11845%0.44860%0.599SS.*PPolyproline II helixtrans-93118.2161.857.20000109.5D142 K158 R162D142-S160 PolarHBondContact OD1-OG 2.97Å; K158-S160 PolarHBondContact O-N 3.15Å; S160-R162 PolarHBondContact O-N 2.98Å
161H42.3Very low53.3Low171 Ų171110.8 Ų110.879%0.79257%0.568SS**PPolyproline II helixtrans-78.9121.9-175.3-67.2-83.1000112.1
162R53.5Low56.3Low126 Ų126101 Ų10148%0.47554%0.535SS..PPolyproline II helixtrans-86.9147162.9-74.6-160.8177.3-143-18.4111.8K139 T140 I141 S160K139-R162 WeakPolarHBondContact O-CD 3.37Å; K139-R162 VanDerWaalsContact O-CZ 3.3Å; K139-R162 PolarHBondContact O-NE 2.98Å; K139-R162 PolarHBondContact O-NH1 2.95Å; T140-R162 HydrophobicContact CG2-CB 4.4Å; T140-R162 HydrophobicContact CG2-CG 4.15Å; I141-R162 VanDerWaalsContact N-CZ 3.34Å; I141-R162 PolarHBondContact O-NH2 3.48Å; S160-R162 PolarHBondContact O-N 2.98Å
163I60.4Low59.6Low61 Ų6199.5 Ų99.531%0.31352%0.52SS..PPolyproline II helixtrans-92.9133-167.3-57.1148.4000109.1D167 Y184I163-D167 HydrophobicContact CG2-CB 3.53Å; I163-D167 WeakPolarHBondContact CG2-O 3.44Å; I163-Y184 HydrophobicContact CB-CE1 4.49Å; I163-Y184 HydrophobicContact CD1-CD2 4.25Å; I163-Y184 HydrophobicContact CD1-CE1 4.23Å; I163-Y184 HydrophobicContact CD1-CE2 3.42Å; I163-Y184 VanDerWaalsContact CD1-CE2 3.42Å; I163-Y184 VanDerWaalsContact CD1-OH 3.31Å; I163-Y184 WeakPolarHBondContact CD1-OH 3.42Å; I163-Y184 HydrophobicContact CG1-CD1 4.43Å; I163-Y184 HydrophobicContact CG1-CD2 3.73Å; I163-Y184 HydrophobicContact CG1-CE1 4.17Å; I163-Y184 HydrophobicContact CG1-CE2 3.43Å; I163-Y184 VanDerWaalsContact CG1-CE2 3.43Å; I163-Y184 HydrophobicContact CG1-CG 4.21Å; I163-Y184 HydrophobicContact CG2-CD1 3.62Å; I163-Y184 HydrophobicContact CG2-CD2 4.41Å; I163-Y184 HydrophobicContact CG2-CE1 3.51Å; I163-Y184 HydrophobicContact CG2-CE2 4.33Å; I163-Y184 HydrophobicContact CG2-CG 4.06Å
164P67.1Low62.6Low45 Ų4594.6 Ų94.629%0.29249%0.485SS..PPolyproline II helixtrans-62.1153175.1-22.433.1000113.2Y166 D167 Q168P164-Y166 HydrophobicContact CB-CD1 3.94Å; P164-Y166 HydrophobicContact CB-CD2 4Å; P164-Y166 HydrophobicContact CB-CE1 3.52Å; P164-Y166 HydrophobicContact CB-CE2 3.6Å; P164-Y166 HydrophobicContact CB-CG 4.17Å; P164-Y166 HydrophobicContact CG-CE1 4.33Å; P164-Y166 HydrophobicContact CG-CE2 3.92Å; P164-Y166 PolarHBondContact O-N 2.97Å; P164-D167 CarbonylContact O-C 3.22Å; P164-D167 WeakPolarHBondContact O-CA 3.44Å; P164-D167 WeakPolarHBondContact O-CB 3.21Å; P164-D167 PolarHBondContact O-N 3.14Å; P164-Q168 PolarHBondContact O-N 3.24Å
165D65.8Low65.7Low115 Ų11590.1 Ų90.162%0.61545%0.452SS*.G310 helixtrans-58-33.8-179.7-67.6-9.1000113.5D167 Q168D165-D167 PolarHBondContact O-N 2.73Å; D165-Q168 WeakPolarHBondContact O-CB 3.49Å; D165-Q168 PolarHBondContact O-N 3.46Å; D165-Q168 VanDerWaalsContact O-N 3.15Å; D165-Q168 PolarHBondContact OD1-NE2 3.45Å
166Y74.2Confident68.9Low54 Ų5485 Ų8521%0.21244%0.436CS..G310 helixtrans-75.5-2.7175.957-107.3000114.4P164 I259 R289 V291P164-Y166 HydrophobicContact CB-CD1 3.94Å; P164-Y166 HydrophobicContact CB-CD2 4Å; P164-Y166 HydrophobicContact CB-CE1 3.52Å; P164-Y166 HydrophobicContact CB-CE2 3.6Å; P164-Y166 HydrophobicContact CB-CG 4.17Å; P164-Y166 HydrophobicContact CG-CE1 4.33Å; P164-Y166 HydrophobicContact CG-CE2 3.92Å; P164-Y166 PolarHBondContact O-N 2.97Å; Y166-I259 HydrophobicContact CE1-CD1 4.26Å; Y166-I259 HydrophobicContact CE2-CD1 4.31Å; Y166-R289 PolarHBondContact O-NH1 2.9Å; Y166-V291 HydrophobicContact CD1-CG1 4.02Å; Y166-V291 HydrophobicContact CD2-CG2 4.19Å; Y166-V291 HydrophobicContact CG-CB 4.39Å; Y166-V291 HydrophobicContact CG-CG1 3.98Å; Y166-V291 HydrophobicContact CG-CG2 3.94Å
167D81.6Confident71.9Confident4 Ų481.3 Ų81.32%0.02141%0.406CS..G310 helixtrans-113.810.9171.8-74.4-4.6000111.3I163 P164 D165 G169 S182 Y184 H185 R289I163-D167 HydrophobicContact CG2-CB 3.53Å; I163-D167 WeakPolarHBondContact CG2-O 3.44Å; P164-D167 CarbonylContact O-C 3.22Å; P164-D167 WeakPolarHBondContact O-CA 3.44Å; P164-D167 WeakPolarHBondContact O-CB 3.21Å; P164-D167 PolarHBondContact O-N 3.14Å; D165-D167 PolarHBondContact O-N 2.73Å; D167-G169 VanDerWaalsContact C-N 3.28Å; D167-G169 PolarHBondContact O-N 2.98Å; D167-S182 PolarHBondContact OD1-OG 2.82Å; D167-S182 WeakPolarHBondContact OD2-CB 3.07Å; D167-S182 PolarHBondContact OD2-OG 3.23Å; D167-Y184 HydrophobicContact CB-CD1 3.87Å; D167-Y184 HydrophobicContact CB-CE1 4.37Å; D167-Y184 WeakPolarHBondContact O-CE1 3.35Å; D167-H185 VanDerWaalsContact CG-CE1 3.46Å; D167-H185 IonicContact OD1-CE1 3.83Å; D167-H185 PolarHBondContact OD1-CE1 3.23Å; D167-H185 IonicContact OD1-ND1 2.64Å; D167-H185 PolarHBondContact OD1-ND1 3.19Å; D167-R289 IonicContact OD1-CZ 2.82Å; D167-R289 IonicContact OD1-NH1 3.07Å; D167-R289 PolarHBondContact OD1-NH1 3.49Å; D167-R289 IonicContact OD1-NH2 3.51Å; D167-R289 PolarHBondContact OD1-NH2 3.11Å
168Q74.1Confident75.2Confident144 Ų14473 Ų7367%0.67337%0.368SS*.SBendtrans-74.880.5167.4-68-178.923.700110.2P164 D165P164-Q168 PolarHBondContact O-N 3.24Å; D165-Q168 WeakPolarHBondContact O-CB 3.49Å; D165-Q168 PolarHBondContact O-N 3.46Å; D165-Q168 VanDerWaalsContact O-N 3.15Å; D165-Q168 PolarHBondContact OD1-NE2 3.45Å
169G85.4Confident78.3Confident30 Ų3063.6 Ų63.631%0.30933%0.327SS..SBendtrans157.3-170.1177.100000112.5D167 H185 Y191D167-G169 VanDerWaalsContact C-N 3.28Å; D167-G169 PolarHBondContact O-N 2.98Å; G169-H185 PolarHBondContact O-CD2 3.06Å; G169-H185 PolarHBondContact O-NE2 3.27Å; G169-Y191 WeakPolarHBondContact O-CE2 3.43Å
170K92.9Very high81.3Confident93 Ų9356.5 Ų56.540%0.40429%0.29SS..SBendtrans-79.9155.2168.8-73.7175.8176.7173.70109.8Y191 D194 L195K170-Y191 HydrophobicContact CG-CD1 3.73Å; K170-Y191 HydrophobicContact CG-CD2 4.44Å; K170-Y191 HydrophobicContact CG-CE1 4.22Å; K170-Y191 HydrophobicContact CG-CG 3.85Å; K170-D194 VanDerWaalsContact CE-OD2 3.23Å; K170-D194 WeakPolarHBondContact CE-OD2 3.48Å; K170-D194 IonicContact NZ-OD2 3.56Å; K170-D194 PolarHBondContact NZ-OD2 3.38Å; K170-L195 HydrophobicContact CB-CD1 4.2Å; K170-L195 HydrophobicContact CD-CD2 4.28Å; K170-L195 HydrophobicContact CD-CG 4.28Å
171P96.1Very high84.2Confident5 Ų553.5 Ų53.53%0.03227%0.268CS..PPolyproline II helixtrans-57.3148.2171.520.7-27.3000111.1L180 H185 L195 L252P171-L180 WeakPolarHBondContact CB-O 3.16Å; P171-H185 HydrophobicContact CB-CB 4.01Å; P171-H185 HydrophobicContact CG-CB 4.13Å; P171-L195 HydrophobicContact CG-CD1 3.61Å; P171-L252 HydrophobicContact CB-CD1 3.58Å; P171-L252 HydrophobicContact CB-CD2 4.46Å; P171-L252 HydrophobicContact CG-CD1 4.06Å; P171-L252 HydrophobicContact CG-CD2 4.19Å
172V96.2Very high86.8Confident33 Ų3345.3 Ų45.320%0.223%0.23CC..EExtended strand (participates in β ladder)trans-83.8140.9-168.7-580000111.5I174 Y179 L180 R288 R289V172-I174 HydrophobicContact CG2-CD1 3.73Å; V172-I174 PolarHBondContact O-N 3.31Å; V172-Y179 CarbonylContact O-C 3.47Å; V172-Y179 VanDerWaalsContact O-CA 3.24Å; V172-Y179 WeakPolarHBondContact O-CA 3.5Å; V172-L180 HydrophobicContact CG2-CB 3.91Å; V172-L180 HydrophobicContact CG2-CD2 4.38Å; V172-L180 HydrophobicContact CG2-CG 4.37Å; V172-L180 PolarHBondContact N-O 3.39Å; V172-L180 PolarHBondContact O-N 2.83Å; V172-R288 HydrophobicContact CG2-CB 4.43Å; V172-R289 HydrophobicContact CG2-CB 4Å
173E97.9Very high88.7Confident93 Ų9340.2 Ų40.244%0.43522%0.215SC..EExtended strand (participates in β ladder)trans-80.5114.9175-168.1174.112900110.7L175 Y179 R288E173-L175 VanDerWaalsContact CG-O 3.3Å; E173-L175 WeakPolarHBondContact CG-O 3.36Å; E173-Y179 HydrophobicContact CB-CD1 3.93Å; E173-Y179 HydrophobicContact CB-CE1 3.47Å; E173-Y179 VanDerWaalsContact CB-CE1 3.47Å; E173-Y179 HydrophobicContact CG-CD1 4.33Å; E173-Y179 HydrophobicContact CG-CE1 3.71Å; E173-Y179 HydrophobicContact CG-CE2 4.32Å; E173-Y179 PolarHBondContact OE2-OH 3.41Å; E173-R288 WeakPolarHBondContact O-CD 3.3Å; E173-R288 PolarHBondContact O-NE 3.21Å
174I97.2Very high90.2Very high2 Ų239.4 Ų39.41%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-88.9-47.9174.9-53.8-52.5000110V172 L178 L180 I270 I285 R288V172-I174 HydrophobicContact CG2-CD1 3.73Å; V172-I174 PolarHBondContact O-N 3.31Å; I174-L178 WeakPolarHBondContact CA-O 3.45Å; I174-L178 HydrophobicContact CB-CG 4.34Å; I174-L178 WeakPolarHBondContact CB-O 3.38Å; I174-L178 HydrophobicContact CG2-CD2 4.46Å; I174-L178 PolarHBondContact N-O 3.43Å; I174-L180 HydrophobicContact CD1-CB 3.96Å; I174-L180 HydrophobicContact CD1-CD2 4.12Å; I174-L180 HydrophobicContact CG1-CB 3.67Å; I174-L180 HydrophobicContact CG1-CD2 4.49Å; I174-I270 HydrophobicContact CG2-CD1 3.77Å; I174-I285 HydrophobicContact CD1-CB 4.45Å; I174-I285 HydrophobicContact CD1-CG1 4.36Å; I174-I285 HydrophobicContact CD1-CG2 3.89Å; I174-I285 HydrophobicContact CG2-CG1 3.97Å; I174-R288 HydrophobicContact CD1-CB 4.15Å; I174-R288 PolarHBondContact O-NE 3.33Å
175L95.8Very high91.5Very high21 Ų2137.3 Ų37.311%0.1120%0.195CC..EExtended strand (participates in β ladder)trans-134.9164.3170.1-53.5172.5000108.1E173 F177 L178 Y269E173-L175 VanDerWaalsContact CG-O 3.3Å; E173-L175 WeakPolarHBondContact CG-O 3.36Å; L175-F177 HydrophobicContact CB-CD1 4.46Å; L175-F177 HydrophobicContact CB-CE1 4.08Å; L175-F177 HydrophobicContact CB-CZ 4.24Å; L175-F177 HydrophobicContact CD1-CE1 4.26Å; L175-F177 HydrophobicContact CD1-CE2 4.37Å; L175-F177 HydrophobicContact CD1-CZ 3.74Å; L175-F177 PolarHBondContact O-N 3.22Å; L175-L178 HydrophobicContact CB-CB 4.01Å; L175-L178 HydrophobicContact CD1-CB 4.49Å; L175-L178 HydrophobicContact CD1-CD2 4.15Å; L175-L178 HydrophobicContact CG-CB 4.43Å; L175-L178 HydrophobicContact CG-CD2 4.48Å; L175-L178 PolarHBondContact N-O 3.49Å; L175-L178 VanDerWaalsContact N-O 3.11Å; L175-L178 CarbonylContact O-C 3.5Å; L175-L178 PolarHBondContact O-N 2.76Å; L175-L178 VanDerWaalsContact O-O 3.1Å; L175-Y269 HydrophobicContact CD1-CD1 4.2Å; L175-Y269 HydrophobicContact CD1-CE1 3.87Å
176P96.9Very high92.8Very high89 Ų8932.7 Ų32.758%0.57817%0.173SC*.THydrogen-bonded Turntrans-54.9-22.1-175.4-3037.2000116.2K250P176-K250 WeakPolarHBondContact O-CE 3.43Å
177F98.2Very high93.7Very high32 Ų3234.2 Ų34.214%0.1419%0.191CC..THydrogen-bonded Turntrans-113.8-2.5177.560.6-90000113.9L175 I241 K245 K250 V251 Y269L175-F177 HydrophobicContact CB-CD1 4.46Å; L175-F177 HydrophobicContact CB-CE1 4.08Å; L175-F177 HydrophobicContact CB-CZ 4.24Å; L175-F177 HydrophobicContact CD1-CE1 4.26Å; L175-F177 HydrophobicContact CD1-CE2 4.37Å; L175-F177 HydrophobicContact CD1-CZ 3.74Å; L175-F177 PolarHBondContact O-N 3.22Å; F177-I241 HydrophobicContact CD2-CG2 4.27Å; F177-I241 HydrophobicContact CE2-CG2 3.92Å; F177-K245 HydrophobicContact CD1-CD 4.31Å; F177-K245 HydrophobicContact CD1-CG 3.93Å; F177-K245 HydrophobicContact CD2-CB 3.76Å; F177-K245 HydrophobicContact CD2-CD 4.21Å; F177-K245 HydrophobicContact CD2-CG 3.95Å; F177-K245 HydrophobicContact CE1-CD 3.86Å; F177-K245 HydrophobicContact CE1-CG 4.01Å; F177-K245 HydrophobicContact CE2-CB 4.05Å; F177-K245 HydrophobicContact CE2-CD 3.76Å; F177-K245 HydrophobicContact CE2-CG 4.02Å; F177-K245 HydrophobicContact CG-CB 4.06Å; F177-K245 HydrophobicContact CG-CD 4.48Å; F177-K245 HydrophobicContact CG-CG 3.91Å; F177-K245 HydrophobicContact CZ-CD 3.57Å; F177-K245 HydrophobicContact CZ-CG 4.05Å; F177-K250 WeakPolarHBondContact O-CA 3.38Å; F177-V251 WeakPolarHBondContact O-CG1 3.37Å; F177-V251 PolarHBondContact O-N 2.87Å; F177-Y269 AromaticContact CE2-CE1 3.71Å; F177-Y269 HydrophobicContact CE2-CE1 3.71Å; F177-Y269 AromaticContact CE2-CZ 3.74Å; F177-Y269 WeakPolarHBondContact CE2-OH 3.4Å; F177-Y269 AromaticContact CZ-CE1 3.78Å; F177-Y269 HydrophobicContact CZ-CE1 3.78Å; F177-Y269 AromaticContact CZ-CZ 3.97Å; F177-Y269 WeakPolarHBondContact CZ-OH 3.08Å
178L98.7Very high94.1Very high0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-126109.4-172.617861.3000110.6I174 L175 I241 V251 V253 Y269I174-L178 WeakPolarHBondContact CA-O 3.45Å; I174-L178 HydrophobicContact CB-CG 4.34Å; I174-L178 WeakPolarHBondContact CB-O 3.38Å; I174-L178 HydrophobicContact CG2-CD2 4.46Å; I174-L178 PolarHBondContact N-O 3.43Å; L175-L178 HydrophobicContact CB-CB 4.01Å; L175-L178 HydrophobicContact CD1-CB 4.49Å; L175-L178 HydrophobicContact CD1-CD2 4.15Å; L175-L178 HydrophobicContact CG-CB 4.43Å; L175-L178 HydrophobicContact CG-CD2 4.48Å; L175-L178 PolarHBondContact N-O 3.49Å; L175-L178 VanDerWaalsContact N-O 3.11Å; L175-L178 CarbonylContact O-C 3.5Å; L175-L178 PolarHBondContact O-N 2.76Å; L175-L178 VanDerWaalsContact O-O 3.1Å; L178-I241 HydrophobicContact CD1-CD1 4.23Å; L178-I241 HydrophobicContact CD1-CG1 4.47Å; L178-I241 HydrophobicContact CD1-CG2 4.23Å; L178-V251 HydrophobicContact CD1-CG1 3.95Å; L178-V253 HydrophobicContact CD1-CB 4.49Å; L178-V253 HydrophobicContact CD1-CG2 3.48Å; L178-V253 VanDerWaalsContact CD1-CG2 3.48Å; L178-Y269 HydrophobicContact CD2-CD1 3.71Å; L178-Y269 HydrophobicContact CD2-CE1 4.32Å; L178-Y269 HydrophobicContact CD2-CG 4.34Å
179Y98.8Very high95Very high5 Ų533.8 Ų33.82%0.0219%0.186CC..EExtended strand (participates in β ladder)trans-107.7150.5176.8-67.1-100.4000110.9V172 E173 L195 I197 K250 V251 V253V172-Y179 CarbonylContact O-C 3.47Å; V172-Y179 VanDerWaalsContact O-CA 3.24Å; V172-Y179 WeakPolarHBondContact O-CA 3.5Å; E173-Y179 HydrophobicContact CB-CD1 3.93Å; E173-Y179 HydrophobicContact CB-CE1 3.47Å; E173-Y179 VanDerWaalsContact CB-CE1 3.47Å; E173-Y179 HydrophobicContact CG-CD1 4.33Å; E173-Y179 HydrophobicContact CG-CE1 3.71Å; E173-Y179 HydrophobicContact CG-CE2 4.32Å; E173-Y179 PolarHBondContact OE2-OH 3.41Å; Y179-L195 HydrophobicContact CD1-CD1 3.86Å; Y179-L195 HydrophobicContact CE1-CD1 3.99Å; Y179-L195 HydrophobicContact CE1-CD2 3.84Å; Y179-L195 HydrophobicContact CE1-CG 4.36Å; Y179-I197 HydrophobicContact CD2-CD1 3.56Å; Y179-I197 HydrophobicContact CE2-CD1 4.13Å; Y179-I197 HydrophobicContact CG-CD1 3.9Å; Y179-K250 HydrophobicContact CD2-CB 4.49Å; Y179-K250 HydrophobicContact CE2-CB 4.27Å; Y179-K250 HydrophobicContact CE2-CD 3.82Å; Y179-K250 HydrophobicContact CE2-CG 4.33Å; Y179-K250 PolarHBondContact OH-NZ 3.27Å; Y179-V251 PolarHBondContact N-O 2.71Å; Y179-V253 PolarHBondContact O-N 2.99Å
180L98.6Very high95.3Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-121.6132.4179.8168.865.2000110.6P171 V172 I174 V253 P263 I285 R289 I292P171-L180 WeakPolarHBondContact CB-O 3.16Å; V172-L180 HydrophobicContact CG2-CB 3.91Å; V172-L180 HydrophobicContact CG2-CD2 4.38Å; V172-L180 HydrophobicContact CG2-CG 4.37Å; V172-L180 PolarHBondContact N-O 3.39Å; V172-L180 PolarHBondContact O-N 2.83Å; I174-L180 HydrophobicContact CD1-CB 3.96Å; I174-L180 HydrophobicContact CD1-CD2 4.12Å; I174-L180 HydrophobicContact CG1-CB 3.67Å; I174-L180 HydrophobicContact CG1-CD2 4.49Å; L180-V253 WeakPolarHBondContact CA-O 3.35Å; L180-P263 HydrophobicContact CD1-CG 3.95Å; L180-P263 HydrophobicContact CD2-CB 4.44Å; L180-P263 HydrophobicContact CD2-CG 4.03Å; L180-I285 HydrophobicContact CD2-CG2 3.44Å; L180-I285 VanDerWaalsContact CD2-CG2 3.44Å; L180-R289 HydrophobicContact CD2-CB 4.44Å; L180-I292 HydrophobicContact CD2-CG2 4.15Å
181G97.2Very high95.4Very high0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-157.9-163.2178.500000115.4V253 H254 G258 S262G181-V253 PolarHBondContact N-O 2.84Å; G181-V253 VanDerWaalsContact N-O 3.09Å; G181-H254 WeakPolarHBondContact O-CA 3.35Å; G181-G258 WeakPolarHBondContact O-CA 3.39Å; G181-S262 PolarHBondContact O-OG 3.08Å
182S95.8Very high95.4Very high0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-117.3174.5-178.163.50000110.2D167 Y184 H185 A186 C255 E256D167-S182 PolarHBondContact OD1-OG 2.82Å; D167-S182 WeakPolarHBondContact OD2-CB 3.07Å; D167-S182 PolarHBondContact OD2-OG 3.23Å; S182-Y184 PolarHBondContact O-N 2.82Å; S182-H185 PolarHBondContact N-ND1 3.21Å; S182-H185 PolarHBondContact O-N 2.91Å; S182-H185 VanDerWaalsContact O-N 3.09Å; S182-H185 PolarHBondContact OG-N 3.17Å; S182-H185 PolarHBondContact OG-ND1 2.84Å; S182-A186 PolarHBondContact O-N 3.09Å; S182-C255 CarbonylContact C-O 3.32Å; S182-E256 WeakPolarHBondContact CB-O 3.47Å
183A93.2Very high95.2Very high19 Ų1934 Ų3416%0.15719%0.186CC..Hα-helixtrans-63.6-28.9176.600000111.8S187 C255 E256A183-S187 PolarHBondContact O-N 2.81Å; A183-C255 PolarHBondContact N-O 3.37Å; A183-E256 PolarHBondContact N-O 2.8Å
184Y91.9Very high95.2Very high43 Ų4334 Ų3417%0.16919%0.188CC..Hα-helixtrans-64.5-49169.7165.6-101.8000111.7I163 D167 S182 A186 S187 R188 Y191I163-Y184 HydrophobicContact CB-CE1 4.49Å; I163-Y184 HydrophobicContact CD1-CD2 4.25Å; I163-Y184 HydrophobicContact CD1-CE1 4.23Å; I163-Y184 HydrophobicContact CD1-CE2 3.42Å; I163-Y184 VanDerWaalsContact CD1-CE2 3.42Å; I163-Y184 VanDerWaalsContact CD1-OH 3.31Å; I163-Y184 WeakPolarHBondContact CD1-OH 3.42Å; I163-Y184 HydrophobicContact CG1-CD1 4.43Å; I163-Y184 HydrophobicContact CG1-CD2 3.73Å; I163-Y184 HydrophobicContact CG1-CE1 4.17Å; I163-Y184 HydrophobicContact CG1-CE2 3.43Å; I163-Y184 VanDerWaalsContact CG1-CE2 3.43Å; I163-Y184 HydrophobicContact CG1-CG 4.21Å; I163-Y184 HydrophobicContact CG2-CD1 3.62Å; I163-Y184 HydrophobicContact CG2-CD2 4.41Å; I163-Y184 HydrophobicContact CG2-CE1 3.51Å; I163-Y184 HydrophobicContact CG2-CE2 4.33Å; I163-Y184 HydrophobicContact CG2-CG 4.06Å; D167-Y184 HydrophobicContact CB-CD1 3.87Å; D167-Y184 HydrophobicContact CB-CE1 4.37Å; D167-Y184 WeakPolarHBondContact O-CE1 3.35Å; S182-Y184 PolarHBondContact O-N 2.82Å; Y184-A186 PolarHBondContact O-N 3.42Å; Y184-S187 PolarHBondContact O-N 3.01Å; Y184-S187 PolarHBondContact O-OG 3.26Å; Y184-R188 HydrophobicContact CD2-CG 4.24Å; Y184-R188 HydrophobicContact CE1-CG 4.13Å; Y184-R188 HydrophobicContact CE2-CG 3.64Å; Y184-R188 WeakPolarHBondContact O-CG 3.37Å; Y184-R188 PolarHBondContact O-N 3.02Å; Y184-R188 PolarHBondContact OH-NH1 3.48Å; Y184-Y191 HydrophobicContact CE1-CE2 4.01Å; Y184-Y191 PolarHBondContact OH-OH 3.18Å
185H94.6Very high95.2Very high2 Ų235.1 Ų35.11%0.00919%0.194CC..Hα-helixtrans-59.5-36.8177.7-68.4118.5000112.5D167 G169 P171 S182 S187 R188 L252D167-H185 VanDerWaalsContact CG-CE1 3.46Å; D167-H185 IonicContact OD1-CE1 3.83Å; D167-H185 PolarHBondContact OD1-CE1 3.23Å; D167-H185 IonicContact OD1-ND1 2.64Å; D167-H185 PolarHBondContact OD1-ND1 3.19Å; G169-H185 PolarHBondContact O-CD2 3.06Å; G169-H185 PolarHBondContact O-NE2 3.27Å; P171-H185 HydrophobicContact CB-CB 4.01Å; P171-H185 HydrophobicContact CG-CB 4.13Å; S182-H185 PolarHBondContact N-ND1 3.21Å; S182-H185 PolarHBondContact O-N 2.91Å; S182-H185 VanDerWaalsContact O-N 3.09Å; S182-H185 PolarHBondContact OG-N 3.17Å; S182-H185 PolarHBondContact OG-ND1 2.84Å; H185-S187 VanDerWaalsContact C-N 3.3Å; H185-S187 PolarHBondContact O-N 3.39Å; H185-R188 PolarHBondContact O-N 3.38Å; H185-L252 HydrophobicContact CB-CD2 4.46Å
186A94.6Very high95.2Very high18 Ų1840.6 Ų40.615%0.14922%0.219CC..Hα-helixtrans-70.3-20.2176.100000114.2S182 Y184 L252 H254S182-A186 PolarHBondContact O-N 3.09Å; Y184-A186 PolarHBondContact O-N 3.42Å; A186-L252 HydrophobicContact CB-CD2 4.21Å; A186-H254 HydrophobicContact CB-CB 4.46Å
187S91.4Very high95.3Very high85 Ų8536.9 Ų36.959%0.59419%0.194SC*.Hα-helixtrans-88.5-7.6175.973.10000114A183 Y184 H185 Q189A183-S187 PolarHBondContact O-N 2.81Å; Y184-S187 PolarHBondContact O-N 3.01Å; Y184-S187 PolarHBondContact O-OG 3.26Å; H185-S187 VanDerWaalsContact C-N 3.3Å; H185-S187 PolarHBondContact O-N 3.39Å; S187-Q189 PolarHBondContact O-N 3.14Å
188R91.6Very high95.3Very high75 Ų7538 Ų3828%0.28320%0.203SC..  trans-91.385.3-176.5-71.2-64.3-60.5-119.75.2112Y184 H185 D190 Y191 L192Y184-R188 HydrophobicContact CD2-CG 4.24Å; Y184-R188 HydrophobicContact CE1-CG 4.13Å; Y184-R188 HydrophobicContact CE2-CG 3.64Å; Y184-R188 WeakPolarHBondContact O-CG 3.37Å; Y184-R188 PolarHBondContact O-N 3.02Å; Y184-R188 PolarHBondContact OH-NH1 3.48Å; H185-R188 PolarHBondContact O-N 3.38Å; R188-D190 IonicContact CZ-OD1 3.83Å; R188-D190 IonicContact CZ-OD2 3.79Å; R188-D190 IonicContact NE-OD1 2.9Å; R188-D190 PolarHBondContact NE-OD1 2.99Å; R188-D190 IonicContact NE-OD2 3.89Å; R188-D190 IonicContact NH2-OD1 2.68Å; R188-D190 PolarHBondContact NH2-OD1 3.21Å; R188-D190 IonicContact NH2-OD2 2.93Å; R188-D190 PolarHBondContact NH2-OD2 3.35Å; R188-D190 PolarHBondContact O-N 2.81Å; R188-D190 VanDerWaalsContact O-N 3.14Å; R188-Y191 HydrophobicContact CB-CD1 4.46Å; R188-Y191 HydrophobicContact CB-CD2 3.38Å; R188-Y191 HydrophobicContact CB-CE2 3.98Å; R188-Y191 HydrophobicContact CB-CG 3.67Å; R188-Y191 HydrophobicContact CG-CD2 3.72Å; R188-Y191 HydrophobicContact CG-CE2 3.78Å; R188-Y191 HydrophobicContact CG-CG 4.39Å; R188-Y191 WeakPolarHBondContact O-CB 3.37Å; R188-Y191 PolarHBondContact O-N 3.23Å; R188-L192 WeakPolarHBondContact O-CG 3.44Å; R188-L192 PolarHBondContact O-N 3.04Å
189Q91.6Very high95.2Very high65 Ų6538 Ų3830%0.30420%0.203SC..Hα-helixtrans-49.3-38.6177.6-175.561.249.400113.2S187 L192 S193 Y215S187-Q189 PolarHBondContact O-N 3.14Å; Q189-L192 PolarHBondContact O-N 3.46Å; Q189-S193 PolarHBondContact NE2-OG 2.96Å; Q189-S193 VanDerWaalsContact NE2-OG 3.13Å; Q189-S193 VanDerWaalsContact O-CB 3.28Å; Q189-S193 WeakPolarHBondContact O-CB 3.3Å; Q189-S193 PolarHBondContact O-N 3.12Å; Q189-S193 PolarHBondContact O-OG 2.62Å; Q189-S193 VanDerWaalsContact O-OG 3.06Å; Q189-Y215 PolarHBondContact NE2-OH 2.91Å; Q189-Y215 PolarHBondContact OE1-OH 3.07Å
190D91.8Very high95.2Very high65 Ų6537.8 Ų37.835%0.34820%0.203SC..Hα-helixtrans-63.6-43.2176.159.7-48.8000112.4R188 D194R188-D190 IonicContact CZ-OD1 3.83Å; R188-D190 IonicContact CZ-OD2 3.79Å; R188-D190 IonicContact NE-OD1 2.9Å; R188-D190 PolarHBondContact NE-OD1 2.99Å; R188-D190 IonicContact NE-OD2 3.89Å; R188-D190 IonicContact NH2-OD1 2.68Å; R188-D190 PolarHBondContact NH2-OD1 3.21Å; R188-D190 IonicContact NH2-OD2 2.93Å; R188-D190 PolarHBondContact NH2-OD2 3.35Å; R188-D190 PolarHBondContact O-N 2.81Å; R188-D190 VanDerWaalsContact O-N 3.14Å; D190-D194 VanDerWaalsContact O-CB 3.32Å; D190-D194 WeakPolarHBondContact O-CB 3.42Å; D190-D194 PolarHBondContact O-N 2.95Å
191Y95.2Very high95.2Very high35 Ų3537.8 Ų37.814%0.13720%0.203CC..Hα-helixtrans-67.5-40.9175.9-62.4-10.5000112G169 K170 Y184 R188 L195G169-Y191 WeakPolarHBondContact O-CE2 3.43Å; K170-Y191 HydrophobicContact CG-CD1 3.73Å; K170-Y191 HydrophobicContact CG-CD2 4.44Å; K170-Y191 HydrophobicContact CG-CE1 4.22Å; K170-Y191 HydrophobicContact CG-CG 3.85Å; Y184-Y191 HydrophobicContact CE1-CE2 4.01Å; Y184-Y191 PolarHBondContact OH-OH 3.18Å; R188-Y191 HydrophobicContact CB-CD1 4.46Å; R188-Y191 HydrophobicContact CB-CD2 3.38Å; R188-Y191 HydrophobicContact CB-CE2 3.98Å; R188-Y191 HydrophobicContact CB-CG 3.67Å; R188-Y191 HydrophobicContact CG-CD2 3.72Å; R188-Y191 HydrophobicContact CG-CE2 3.78Å; R188-Y191 HydrophobicContact CG-CG 4.39Å; R188-Y191 WeakPolarHBondContact O-CB 3.37Å; R188-Y191 PolarHBondContact O-N 3.23Å; Y191-L195 WeakPolarHBondContact O-CB 3.38Å; Y191-L195 VanDerWaalsContact O-CG 3.32Å; Y191-L195 WeakPolarHBondContact O-CG 3.44Å; Y191-L195 PolarHBondContact O-N 2.61Å; Y191-L195 VanDerWaalsContact O-N 3.11Å
192L95.6Very high95.3Very high3 Ų337.8 Ų37.82%0.01620%0.203CC..Hα-helixtrans-64.9-44.8177.9-60.8-175.7000111.6R188 Q189 H196 I197 L200 Y215 L252R188-L192 WeakPolarHBondContact O-CG 3.44Å; R188-L192 PolarHBondContact O-N 3.04Å; Q189-L192 PolarHBondContact O-N 3.46Å; L192-H196 PolarHBondContact O-N 3Å; L192-H196 VanDerWaalsContact O-N 3.16Å; L192-I197 HydrophobicContact CB-CB 4.21Å; L192-I197 HydrophobicContact CB-CG1 4.47Å; L192-I197 HydrophobicContact CD2-CB 4.13Å; L192-I197 HydrophobicContact CD2-CG1 3.93Å; L192-I197 HydrophobicContact CD2-CG2 4.17Å; L192-I197 PolarHBondContact O-N 3.04Å; L192-L200 HydrophobicContact CD1-CD1 4.18Å; L192-L200 HydrophobicContact CD1-CD2 4.19Å; L192-L200 HydrophobicContact CD2-CD2 4.02Å; L192-Y215 HydrophobicContact CB-CE1 4.23Å; L192-Y215 VanDerWaalsContact CB-OH 3.23Å; L192-Y215 WeakPolarHBondContact CB-OH 3.25Å; L192-Y215 HydrophobicContact CD1-CE1 4.15Å; L192-Y215 HydrophobicContact CD1-CE2 3.89Å; L192-L252 HydrophobicContact CD2-CD2 3.62Å
193S93.6Very high95.4Very high63 Ų6337.8 Ų37.844%0.44120%0.203SC..Hα-helixtrans-64.7-49.1177.3-69.70000111.8Q189 L195 H196Q189-S193 PolarHBondContact NE2-OG 2.96Å; Q189-S193 VanDerWaalsContact NE2-OG 3.13Å; Q189-S193 VanDerWaalsContact O-CB 3.28Å; Q189-S193 WeakPolarHBondContact O-CB 3.3Å; Q189-S193 PolarHBondContact O-N 3.12Å; Q189-S193 PolarHBondContact O-OG 2.62Å; Q189-S193 VanDerWaalsContact O-OG 3.06Å; S193-L195 VanDerWaalsContact C-N 3.31Å; S193-L195 PolarHBondContact O-N 2.89Å; S193-H196 PolarHBondContact O-N 3.13Å
194D95.9Very high95.4Very high91 Ų9136.9 Ų36.949%0.48720%0.196SC..Hα-helixtrans-60.4-38.6179.6-76.50.4000112.9K170 D190 H196K170-D194 VanDerWaalsContact CE-OD2 3.23Å; K170-D194 WeakPolarHBondContact CE-OD2 3.48Å; K170-D194 IonicContact NZ-OD2 3.56Å; K170-D194 PolarHBondContact NZ-OD2 3.38Å; D190-D194 VanDerWaalsContact O-CB 3.32Å; D190-D194 WeakPolarHBondContact O-CB 3.42Å; D190-D194 PolarHBondContact O-N 2.95Å; D194-H196 VanDerWaalsContact C-N 3.25Å; D194-H196 PolarHBondContact O-CE1 3.05Å; D194-H196 PolarHBondContact O-N 3.33Å; D194-H196 PolarHBondContact O-ND1 2.89Å
195L97.3Very high95.2Very high27 Ų2741.9 Ų41.914%0.14121%0.214CC..Hα-helixtrans-79.1-9.1178.1-70.2177.9000113.4K170 P171 Y179 Y191 S193 I197 K250K170-L195 HydrophobicContact CB-CD1 4.2Å; K170-L195 HydrophobicContact CD-CD2 4.28Å; K170-L195 HydrophobicContact CD-CG 4.28Å; P171-L195 HydrophobicContact CG-CD1 3.61Å; Y179-L195 HydrophobicContact CD1-CD1 3.86Å; Y179-L195 HydrophobicContact CE1-CD1 3.99Å; Y179-L195 HydrophobicContact CE1-CD2 3.84Å; Y179-L195 HydrophobicContact CE1-CG 4.36Å; Y191-L195 WeakPolarHBondContact O-CB 3.38Å; Y191-L195 VanDerWaalsContact O-CG 3.32Å; Y191-L195 WeakPolarHBondContact O-CG 3.44Å; Y191-L195 PolarHBondContact O-N 2.61Å; Y191-L195 VanDerWaalsContact O-N 3.11Å; S193-L195 VanDerWaalsContact C-N 3.31Å; S193-L195 PolarHBondContact O-N 2.89Å; L195-I197 VanDerWaalsContact C-N 3.35Å; L195-I197 HydrophobicContact CB-CD1 4.16Å; L195-I197 HydrophobicContact CB-CG1 3.99Å; L195-K250 WeakPolarHBondContact O-CD 3.37Å; L195-K250 PolarHBondContact O-NZ 2.81Å
196H96.9Very high94.6Very high136 Ų13648.9 Ų48.963%0.6324%0.24SC*.THydrogen-bonded Turntrans60.940.9-173.9-54.360.2000112.3L192 S193 D194 T198 K250L192-H196 PolarHBondContact O-N 3Å; L192-H196 VanDerWaalsContact O-N 3.16Å; S193-H196 PolarHBondContact O-N 3.13Å; D194-H196 VanDerWaalsContact C-N 3.25Å; D194-H196 PolarHBondContact O-CE1 3.05Å; D194-H196 PolarHBondContact O-N 3.33Å; D194-H196 PolarHBondContact O-ND1 2.89Å; H196-T198 PolarHBondContact O-N 3.14Å; H196-K250 HydrophobicContact CB-CD 4.39Å; H196-K250 WeakPolarHBondContact O-CD 3.32Å
197I98.1Very high94.2Very high10 Ų1051 Ų515%0.05125%0.249CC..  trans-64.5131.7172-58.5-58.3000108.9Y179 L192 L195 A199 L200 Y215 K250 L252Y179-I197 HydrophobicContact CD2-CD1 3.56Å; Y179-I197 HydrophobicContact CE2-CD1 4.13Å; Y179-I197 HydrophobicContact CG-CD1 3.9Å; L192-I197 HydrophobicContact CB-CB 4.21Å; L192-I197 HydrophobicContact CB-CG1 4.47Å; L192-I197 HydrophobicContact CD2-CB 4.13Å; L192-I197 HydrophobicContact CD2-CG1 3.93Å; L192-I197 HydrophobicContact CD2-CG2 4.17Å; L192-I197 PolarHBondContact O-N 3.04Å; L195-I197 VanDerWaalsContact C-N 3.35Å; L195-I197 HydrophobicContact CB-CD1 4.16Å; L195-I197 HydrophobicContact CB-CG1 3.99Å; I197-A199 WeakPolarHBondContact CG2-O 3.47Å; I197-L200 HydrophobicContact CG2-CD2 3.95Å; I197-Y215 HydrophobicContact CG2-CD1 4.46Å; I197-Y215 HydrophobicContact CG2-CE1 4.37Å; I197-Y215 VanDerWaalsContact O-CE1 3.31Å; I197-Y215 WeakPolarHBondContact O-CE1 3.27Å; I197-K250 HydrophobicContact CD1-CB 4.07Å; I197-L252 HydrophobicContact CD1-CB 4.3Å; I197-L252 HydrophobicContact CG2-CB 4.18Å
198T98.1Very high93.4Very high55 Ų5551.4 Ų51.434%0.33724%0.244SC..  trans-112-18.6176.361.30000112.1H196 Y215 D216 G249 K250H196-T198 PolarHBondContact O-N 3.14Å; T198-Y215 WeakPolarHBondContact O-CA 3.35Å; T198-D216 PolarHBondContact O-N 3.01Å; T198-G249 VanDerWaalsContact OG1-CA 3.28Å; T198-G249 WeakPolarHBondContact OG1-CA 3.4Å; T198-K250 PolarHBondContact N-O 3.16Å; T198-K250 PolarHBondContact OG1-N 3.38Å; T198-K250 PolarHBondContact OG1-O 3.2Å
199A98.3Very high92.9Very high0 Ų053.2 Ų53.20%026%0.256CS..EExtended strand (participates in β ladder)trans-141.6154.2-175.800000113.4I197 D216 F240 V244 K250 V251 L252I197-A199 WeakPolarHBondContact CG2-O 3.47Å; A199-D216 CarbonylContact C-O 3.33Å; A199-D216 WeakPolarHBondContact CA-O 3.39Å; A199-D216 HydrophobicContact CB-CB 3.9Å; A199-D216 WeakPolarHBondContact CB-O 3.49Å; A199-F240 HydrophobicContact CB-CE1 4.35Å; A199-F240 HydrophobicContact CB-CZ 4.05Å; A199-V244 HydrophobicContact CB-CB 4.23Å; A199-V244 HydrophobicContact CB-CG1 3.84Å; A199-V244 HydrophobicContact CB-CG2 3.33Å; A199-K250 PolarHBondContact N-O 3.1Å; A199-V251 HydrophobicContact CB-CB 4.11Å; A199-V251 HydrophobicContact CB-CG2 4.18Å; A199-V251 WeakPolarHBondContact O-CA 3.22Å; A199-L252 PolarHBondContact O-N 3.15Å
200L98.4Very high92.2Very high2 Ų252.3 Ų52.31%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-133.2123.3-177-65.8177.4000110.1L192 I197 P210 Y215 D216 Y217 K218 L252L192-L200 HydrophobicContact CD1-CD1 4.18Å; L192-L200 HydrophobicContact CD1-CD2 4.19Å; L192-L200 HydrophobicContact CD2-CD2 4.02Å; I197-L200 HydrophobicContact CG2-CD2 3.95Å; L200-P210 HydrophobicContact CD1-CB 4.31Å; L200-P210 HydrophobicContact CD1-CG 3.46Å; L200-P210 VanDerWaalsContact CD1-CG 3.46Å; L200-Y215 HydrophobicContact CD1-CD1 4.43Å; L200-Y215 HydrophobicContact CD1-CD2 3.88Å; L200-Y215 HydrophobicContact CD1-CE2 4.45Å; L200-Y215 HydrophobicContact CD1-CG 3.87Å; L200-Y215 HydrophobicContact CG-CD1 4.35Å; L200-Y215 HydrophobicContact CG-CG 4.14Å; L200-D216 PolarHBondContact N-O 3.47Å; L200-Y217 HydrophobicContact CB-CD2 3.92Å; L200-Y217 WeakPolarHBondContact O-CA 3.46Å; L200-K218 PolarHBondContact O-N 3.12Å; L200-L252 HydrophobicContact CD2-CB 3.8Å; L200-L252 HydrophobicContact CD2-CD2 4.05Å; L200-L252 HydrophobicContact CD2-CG 4.29Å
201L98.6Very high91.1Very high0 Ų055.8 Ų55.80%028%0.279CS..EExtended strand (participates in β ladder)trans-110.1102.9173.6-179.959.3000109.7V203 K218 I220 A237 F240 I241 V251 L252 V253 H254 I265L201-V203 HydrophobicContact CD2-CG2 4.49Å; L201-V203 HydrophobicContact CG-CG2 4.03Å; L201-K218 WeakPolarHBondContact CA-O 3.19Å; L201-K218 HydrophobicContact CD1-CB 3.89Å; L201-K218 HydrophobicContact CD1-CD 4.31Å; L201-K218 HydrophobicContact CD1-CG 4.01Å; L201-I220 HydrophobicContact CD1-CD1 3.87Å; L201-I220 HydrophobicContact CD1-CG1 4Å; L201-A237 HydrophobicContact CD2-CB 3.96Å; L201-F240 HydrophobicContact CB-CD1 4.04Å; L201-F240 HydrophobicContact CB-CE1 3.93Å; L201-F240 HydrophobicContact CD1-CD1 4.11Å; L201-F240 HydrophobicContact CD1-CE1 4.48Å; L201-F240 HydrophobicContact CD2-CD1 4.36Å; L201-F240 HydrophobicContact CG-CD1 4.4Å; L201-I241 HydrophobicContact CD2-CD1 4.29Å; L201-I241 HydrophobicContact CD2-CG1 4.32Å; L201-V251 HydrophobicContact CB-CG2 4.14Å; L201-L252 PolarHBondContact N-O 2.93Å; L201-V253 HydrophobicContact CB-CB 4.48Å; L201-V253 HydrophobicContact CB-CG1 4.38Å; L201-V253 HydrophobicContact CB-CG2 4.14Å; L201-V253 HydrophobicContact CD2-CG1 4.04Å; L201-V253 HydrophobicContact CD2-CG2 4.04Å; L201-V253 HydrophobicContact CG-CG1 4.26Å; L201-H254 PolarHBondContact O-N 3.38Å; L201-I265 HydrophobicContact CD2-CG2 4.04Å
202N98.2Very high89.9Confident0 Ų063.2 Ų63.20%031%0.307CS..EExtended strand (participates in β ladder)trans-89.4111.9178.8178.78000110.3S204 R206 Y217 K218 W219 I220 H254N202-S204 VanDerWaalsContact OD1-CB 3.26Å; N202-S204 WeakPolarHBondContact OD1-CB 3.24Å; N202-S204 PolarHBondContact OD1-N 3.19Å; N202-S204 VanDerWaalsContact OD1-N 3.13Å; N202-S204 PolarHBondContact OD1-OG 2.93Å; N202-R206 PolarHBondContact ND2-O 3.34Å; N202-Y217 HydrophobicContact CB-CE2 3.85Å; N202-Y217 PolarHBondContact ND2-OH 2.91Å; N202-K218 PolarHBondContact N-O 2.93Å; N202-W219 WeakPolarHBondContact O-CA 3.48Å; N202-I220 PolarHBondContact O-N 2.78Å; N202-H254 WeakPolarHBondContact CB-NE2 3.36Å
203V98.1Very high88.9Confident0 Ų065.1 Ų65.10%033%0.327CS..  trans-108.150179.1-1590000109.7L201 I220 V222 I230 V253 H254 C255 R261 I265L201-V203 HydrophobicContact CD2-CG2 4.49Å; L201-V203 HydrophobicContact CG-CG2 4.03Å; V203-I220 WeakPolarHBondContact CA-O 3.43Å; V203-V222 HydrophobicContact CG1-CB 4.29Å; V203-V222 HydrophobicContact CG1-CG2 4.16Å; V203-I230 HydrophobicContact CG1-CD1 4.1Å; V203-V253 HydrophobicContact CG2-CG1 3.98Å; V203-H254 PolarHBondContact N-O 3.01Å; V203-C255 WeakPolarHBondContact O-CB 3.38Å; V203-R261 HydrophobicContact CB-CB 4.36Å; V203-R261 HydrophobicContact CG1-CB 4.08Å; V203-R261 WeakPolarHBondContact O-CB 3.24Å; V203-R261 WeakPolarHBondContact O-CD 3.44Å; V203-I265 HydrophobicContact CG1-CG1 4Å; V203-I265 HydrophobicContact CG2-CG1 3.95Å
204S92.9Very high88.5Confident0 Ų071.5 Ų71.50%035%0.35CS..SBendtrans-130.2166.9-178.785.10000112.7N202 R206 W219N202-S204 VanDerWaalsContact OD1-CB 3.26Å; N202-S204 WeakPolarHBondContact OD1-CB 3.24Å; N202-S204 PolarHBondContact OD1-N 3.19Å; N202-S204 VanDerWaalsContact OD1-N 3.13Å; N202-S204 PolarHBondContact OD1-OG 2.93Å; S204-R206 PolarHBondContact O-N 3.15Å; S204-R206 PolarHBondContact OG-N 3.1Å; S204-R206 PolarHBondContact OG-O 3.46Å; S204-R206 VanDerWaalsContact OG-O 3.12Å; S204-W219 PolarHBondContact O-NE1 3.34Å
205R87.7Confident88.4Confident148 Ų14868.9 Ų68.956%0.55833%0.333SS*.SBendtrans-71.1-18.6-179.9-61.5-165-65.8-171.8-3.9114E223R205-E223 VanDerWaalsContact CD-CD 3.44Å; R205-E223 WeakPolarHBondContact CD-OE1 3.08Å; R205-E223 HydrophobicContact CG-CB 4.36Å; R205-E223 HydrophobicContact CG-CG 4.09Å; R205-E223 IonicContact CZ-OE1 2.71Å; R205-E223 IonicContact NE-OE1 3.41Å; R205-E223 VanDerWaalsContact NH1-CD 3.32Å; R205-E223 IonicContact NH1-OE1 3.83Å; R205-E223 PolarHBondContact NH1-OE1 3.24Å; R205-E223 IonicContact NH1-OE2 3.98Å; R205-E223 PolarHBondContact NH1-OE2 2.95Å
206R82.9Confident88.3Confident149 Ų14972.2 Ų72.256%0.56235%0.351SS*.SBendtrans-104.3122.4-177.6-68.6177.7177.7145.9-8.4108.1N202 S204 L208 E256N202-R206 PolarHBondContact ND2-O 3.34Å; S204-R206 PolarHBondContact O-N 3.15Å; S204-R206 PolarHBondContact OG-N 3.1Å; S204-R206 PolarHBondContact OG-O 3.46Å; S204-R206 VanDerWaalsContact OG-O 3.12Å; R206-L208 HydrophobicContact CB-CD1 4.41Å; R206-L208 HydrophobicContact CB-CD2 4.4Å; R206-L208 HydrophobicContact CB-CG 4.02Å; R206-L208 PolarHBondContact O-N 2.92Å; R206-L208 VanDerWaalsContact O-N 3.16Å; R206-E256 IonicContact NH1-OE1 2.77Å; R206-E256 PolarHBondContact NH1-OE1 3.41Å; R206-E256 IonicContact NH1-OE2 2.67Å
207D84.9Confident88.3Confident63 Ų6367.9 Ų67.934%0.33733%0.33SS..  trans-73.2106166.3-167.26.2000108.8H209 Y217 W219D207-H209 IonicContact OD1-CE1 3.67Å; D207-H209 IonicContact OD1-CG 3.52Å; D207-H209 IonicContact OD1-ND1 3.41Å; D207-H209 PolarHBondContact OD1-ND1 2.88Å; D207-H209 IonicContact OD2-CE1 2.81Å; D207-H209 PolarHBondContact OD2-CE1 2.79Å; D207-H209 IonicContact OD2-ND1 3.54Å; D207-H209 PolarHBondContact OD2-ND1 2.82Å; D207-Y217 VanDerWaalsContact OD1-CE1 3.3Å; D207-Y217 WeakPolarHBondContact OD1-CE1 3.12Å; D207-Y217 PolarHBondContact OD1-OH 3.12Å; D207-W219 HydrophobicContact CB-CD2 3.66Å; D207-W219 HydrophobicContact CB-CE3 3.72Å; D207-W219 HydrophobicContact CB-CG 4.33Å; D207-W219 HydrophobicContact CB-CH2 3.83Å; D207-W219 HydrophobicContact CB-CZ2 3.75Å; D207-W219 HydrophobicContact CB-CZ3 3.81Å
208L76.6Confident88.3Confident92 Ų9269.8 Ų69.848%0.48234%0.338SS..  trans-114.465.1178.2-64.8178.1000107.8R206 Y217R206-L208 HydrophobicContact CB-CD1 4.41Å; R206-L208 HydrophobicContact CB-CD2 4.4Å; R206-L208 HydrophobicContact CB-CG 4.02Å; R206-L208 PolarHBondContact O-N 2.92Å; R206-L208 VanDerWaalsContact O-N 3.16Å; L208-Y217 PolarHBondContact N-OH 2.9Å
209H79.2Confident88.3Confident114 Ų11471.6 Ų71.653%0.52834%0.338SS..  trans-47134.9173.3-93.383.7000110.4D207 T211 Y217D207-H209 IonicContact OD1-CE1 3.67Å; D207-H209 IonicContact OD1-CG 3.52Å; D207-H209 IonicContact OD1-ND1 3.41Å; D207-H209 PolarHBondContact OD1-ND1 2.88Å; D207-H209 IonicContact OD2-CE1 2.81Å; D207-H209 PolarHBondContact OD2-CE1 2.79Å; D207-H209 IonicContact OD2-ND1 3.54Å; D207-H209 PolarHBondContact OD2-ND1 2.82Å; H209-T211 PolarHBondContact O-N 3.21Å; H209-T211 VanDerWaalsContact O-N 3.13Å; H209-Y217 AromaticContact CD2-CD1 3.57Å; H209-Y217 AromaticContact CD2-CE1 3.74Å; H209-Y217 AromaticContact CE1-CD1 3.8Å; H209-Y217 AromaticContact CE1-CE1 3.47Å; H209-Y217 VanDerWaalsContact CE1-CE1 3.47Å; H209-Y217 WeakPolarHBondContact CE1-CE1 3.12Å; H209-Y217 AromaticContact CG-CD1 4Å; H209-Y217 AromaticContact CG-CE1 3.69Å; H209-Y217 AromaticContact ND1-CE1 3.51Å; H209-Y217 AromaticContact NE2-CD1 3.44Å; H209-Y217 WeakPolarHBondContact NE2-CD1 3.46Å; H209-Y217 AromaticContact NE2-CE1 3.61Å
210P77.1Confident88.2Confident45 Ų4571.7 Ų71.729%0.29234%0.338SS..  trans-59.1119.8178.9-22.733.3000110.3L200 R212 Y215 Y217L200-P210 HydrophobicContact CD1-CB 4.31Å; L200-P210 HydrophobicContact CD1-CG 3.46Å; L200-P210 VanDerWaalsContact CD1-CG 3.46Å; P210-R212 PolarHBondContact O-N 3.3Å; P210-Y215 HydrophobicContact CB-CD2 3.99Å; P210-Y215 HydrophobicContact CG-CD2 4.2Å; P210-Y217 HydrophobicContact CG-CD2 3.95Å; P210-Y217 HydrophobicContact CG-CE2 4.47Å; P210-Y217 HydrophobicContact CG-CG 4.49Å
211T68.6Low88.1Confident139 Ų13975.1 Ų75.185%0.85336%0.361SS*.SBendtrans-78.4-5.8177.555.80000112.7H209H209-T211 PolarHBondContact O-N 3.21Å; H209-T211 VanDerWaalsContact O-N 3.13Å
212R71Confident87.9Confident191 Ų19175.3 Ų75.372%0.72136%0.362SS*.SBendtrans-149152.8-177.8-61.6-175.2179.2-177.9-1.6109.6P210P210-R212 PolarHBondContact O-N 3.3Å
213G74Confident87.5Confident43 Ų4379.7 Ų79.744%0.44338%0.383SS..SBendtrans80.8157.6-177.100000113.3
214H86.3Confident87.2Confident197 Ų19783 Ų8391%0.91240%0.4SS*.  trans-102.4106.5170.2-66.1-72.6000107.6
215Y93.6Very high87.1Confident36 Ų3684.3 Ų84.314%0.14141%0.409CS..  trans-125.9139179.8-62.8-72000109.3Q189 L192 I197 T198 L200 P210 Y217Q189-Y215 PolarHBondContact NE2-OH 2.91Å; Q189-Y215 PolarHBondContact OE1-OH 3.07Å; L192-Y215 HydrophobicContact CB-CE1 4.23Å; L192-Y215 VanDerWaalsContact CB-OH 3.23Å; L192-Y215 WeakPolarHBondContact CB-OH 3.25Å; L192-Y215 HydrophobicContact CD1-CE1 4.15Å; L192-Y215 HydrophobicContact CD1-CE2 3.89Å; I197-Y215 HydrophobicContact CG2-CD1 4.46Å; I197-Y215 HydrophobicContact CG2-CE1 4.37Å; I197-Y215 VanDerWaalsContact O-CE1 3.31Å; I197-Y215 WeakPolarHBondContact O-CE1 3.27Å; T198-Y215 WeakPolarHBondContact O-CA 3.35Å; L200-Y215 HydrophobicContact CD1-CD1 4.43Å; L200-Y215 HydrophobicContact CD1-CD2 3.88Å; L200-Y215 HydrophobicContact CD1-CE2 4.45Å; L200-Y215 HydrophobicContact CD1-CG 3.87Å; L200-Y215 HydrophobicContact CG-CD1 4.35Å; L200-Y215 HydrophobicContact CG-CG 4.14Å; P210-Y215 HydrophobicContact CB-CD2 3.99Å; P210-Y215 HydrophobicContact CG-CD2 4.2Å; Y215-Y217 PolarHBondContact O-N 3.16Å; Y215-Y217 VanDerWaalsContact O-N 3.11Å
216D95.3Very high86.8Confident96 Ų9681.3 Ų81.351%0.51341%0.409SS..EExtended strand (participates in β ladder)trans-65.5111.1161.7-66.4-35.9000107.2T198 A199 L200 F240T198-D216 PolarHBondContact O-N 3.01Å; A199-D216 CarbonylContact C-O 3.33Å; A199-D216 WeakPolarHBondContact CA-O 3.39Å; A199-D216 HydrophobicContact CB-CB 3.9Å; A199-D216 WeakPolarHBondContact CB-O 3.49Å; L200-D216 PolarHBondContact N-O 3.47Å; D216-F240 HydrophobicContact CB-CE2 4.39Å; D216-F240 HydrophobicContact CB-CZ 4.37Å; D216-F240 WeakPolarHBondContact O-CZ 3.5Å
217Y96.3Very high87.1Confident46 Ų4682.1 Ų82.118%0.1842%0.421CS..EExtended strand (participates in β ladder)trans-111.4130.7-174178.8-101.1000110.8L200 N202 D207 L208 H209 P210 Y215 W219L200-Y217 HydrophobicContact CB-CD2 3.92Å; L200-Y217 WeakPolarHBondContact O-CA 3.46Å; N202-Y217 HydrophobicContact CB-CE2 3.85Å; N202-Y217 PolarHBondContact ND2-OH 2.91Å; D207-Y217 VanDerWaalsContact OD1-CE1 3.3Å; D207-Y217 WeakPolarHBondContact OD1-CE1 3.12Å; D207-Y217 PolarHBondContact OD1-OH 3.12Å; L208-Y217 PolarHBondContact N-OH 2.9Å; H209-Y217 AromaticContact CD2-CD1 3.57Å; H209-Y217 AromaticContact CD2-CE1 3.74Å; H209-Y217 AromaticContact CE1-CD1 3.8Å; H209-Y217 AromaticContact CE1-CE1 3.47Å; H209-Y217 VanDerWaalsContact CE1-CE1 3.47Å; H209-Y217 WeakPolarHBondContact CE1-CE1 3.12Å; H209-Y217 AromaticContact CG-CD1 4Å; H209-Y217 AromaticContact CG-CE1 3.69Å; H209-Y217 AromaticContact ND1-CE1 3.51Å; H209-Y217 AromaticContact NE2-CD1 3.44Å; H209-Y217 WeakPolarHBondContact NE2-CD1 3.46Å; H209-Y217 AromaticContact NE2-CE1 3.61Å; P210-Y217 HydrophobicContact CG-CD2 3.95Å; P210-Y217 HydrophobicContact CG-CE2 4.47Å; P210-Y217 HydrophobicContact CG-CG 4.49Å; Y215-Y217 PolarHBondContact O-N 3.16Å; Y215-Y217 VanDerWaalsContact O-N 3.11Å; Y217-W219 HydrophobicContact CE1-CB 3.8Å
218K97.3Very high87.4Confident50 Ų5079.9 Ų79.922%0.21741%0.412CS..EExtended strand (participates in β ladder)trans-129.4133.4171.3-170.5168.9-168.6172.80110.1L200 L201 N202 I220 E236 F240L200-K218 PolarHBondContact O-N 3.12Å; L201-K218 WeakPolarHBondContact CA-O 3.19Å; L201-K218 HydrophobicContact CD1-CB 3.89Å; L201-K218 HydrophobicContact CD1-CD 4.31Å; L201-K218 HydrophobicContact CD1-CG 4.01Å; N202-K218 PolarHBondContact N-O 2.93Å; K218-I220 HydrophobicContact CG-CG1 4.49Å; K218-E236 WeakPolarHBondContact CE-OE1 3.02Å; K218-E236 PolarHBondContact NZ-O 3.38Å; K218-E236 IonicContact NZ-OE1 2.89Å; K218-E236 PolarHBondContact NZ-OE1 3.07Å; K218-F240 HydrophobicContact CB-CD1 4.01Å; K218-F240 HydrophobicContact CB-CD2 3.91Å; K218-F240 HydrophobicContact CB-CE1 3.84Å; K218-F240 HydrophobicContact CB-CE2 3.74Å; K218-F240 HydrophobicContact CB-CG 4.03Å; K218-F240 HydrophobicContact CB-CZ 3.69Å; K218-F240 HydrophobicContact CD-CB 3.68Å; K218-F240 HydrophobicContact CD-CD1 4.23Å; K218-F240 HydrophobicContact CD-CD2 3.73Å; K218-F240 HydrophobicContact CD-CE2 4.41Å; K218-F240 HydrophobicContact CD-CG 3.61Å; K218-F240 HydrophobicContact CG-CD2 4.46Å; K218-F240 HydrophobicContact CG-CG 4.45Å
219W97.9Very high88.4Confident93 Ų9379.3 Ų79.335%0.35241%0.409SS..EExtended strand (participates in β ladder)trans-117126.7178.2176.347.3000110.3N202 S204 D207 Y217 P221N202-W219 WeakPolarHBondContact O-CA 3.48Å; S204-W219 PolarHBondContact O-NE1 3.34Å; D207-W219 HydrophobicContact CB-CD2 3.66Å; D207-W219 HydrophobicContact CB-CE3 3.72Å; D207-W219 HydrophobicContact CB-CG 4.33Å; D207-W219 HydrophobicContact CB-CH2 3.83Å; D207-W219 HydrophobicContact CB-CZ2 3.75Å; D207-W219 HydrophobicContact CB-CZ3 3.81Å; Y217-W219 HydrophobicContact CE1-CB 3.8Å; W219-P221 HydrophobicContact CH2-CB 4.07Å; W219-P221 HydrophobicContact CZ2-CB 3.58Å; W219-P221 HydrophobicContact CZ2-CG 4.45Å
220I97.7Very high89.3Confident1 Ų173.9 Ų73.91%0.00538%0.384CS..  trans-121102.6176.3-55.6-174.8000107.4L201 N202 V203 K218 V222 H233 E236 A237L201-I220 HydrophobicContact CD1-CD1 3.87Å; L201-I220 HydrophobicContact CD1-CG1 4Å; N202-I220 PolarHBondContact O-N 2.78Å; V203-I220 WeakPolarHBondContact CA-O 3.43Å; K218-I220 HydrophobicContact CG-CG1 4.49Å; I220-V222 HydrophobicContact CG2-CG2 3.89Å; I220-V222 PolarHBondContact O-N 2.84Å; I220-H233 HydrophobicContact CD1-CB 4.42Å; I220-H233 HydrophobicContact CG2-CB 3.63Å; I220-H233 VanDerWaalsContact CG2-CG 3.4Å; I220-H233 WeakPolarHBondContact CG2-ND1 3.48Å; I220-E236 HydrophobicContact CD1-CG 4.23Å; I220-A237 HydrophobicContact CD1-CB 3.89Å
221P95.9Very high90.3Very high75 Ų7573.4 Ų73.449%0.48738%0.382SS..  trans-75.287.8-169.528.2-35.2000113.4W219W219-P221 HydrophobicContact CH2-CB 4.07Å; W219-P221 HydrophobicContact CZ2-CB 3.58Å; W219-P221 HydrophobicContact CZ2-CG 4.45Å
222V94.3Very high91.7Very high4 Ų470.3 Ų70.32%0.02437%0.366CS..  trans-114.2130.2-178.8-172.30000112.6V203 I220 A228 I230 R261 F298V203-V222 HydrophobicContact CG1-CB 4.29Å; V203-V222 HydrophobicContact CG1-CG2 4.16Å; I220-V222 HydrophobicContact CG2-CG2 3.89Å; I220-V222 PolarHBondContact O-N 2.84Å; V222-A228 HydrophobicContact CG1-CB 4.25Å; V222-I230 HydrophobicContact CG1-CB 4.03Å; V222-I230 HydrophobicContact CG1-CD1 4.13Å; V222-I230 HydrophobicContact CG1-CG1 4.1Å; V222-I230 HydrophobicContact CG2-CG1 4.27Å; V222-R261 HydrophobicContact CG1-CG 4.38Å; V222-R261 WeakPolarHBondContact O-CD 3.46Å; V222-R261 PolarHBondContact O-NH1 2.84Å; V222-F298 HydrophobicContact CG1-CZ 3.97Å
223E89.7Confident93Very high92 Ų9263.7 Ų63.743%0.4334%0.343SS..  trans-74.4142.7170.2-55.9-128.8130.200111.6R205 S225 A228 F298R205-E223 VanDerWaalsContact CD-CD 3.44Å; R205-E223 WeakPolarHBondContact CD-OE1 3.08Å; R205-E223 HydrophobicContact CG-CB 4.36Å; R205-E223 HydrophobicContact CG-CG 4.09Å; R205-E223 IonicContact CZ-OE1 2.71Å; R205-E223 IonicContact NE-OE1 3.41Å; R205-E223 VanDerWaalsContact NH1-CD 3.32Å; R205-E223 IonicContact NH1-OE1 3.83Å; R205-E223 PolarHBondContact NH1-OE1 3.24Å; R205-E223 IonicContact NH1-OE2 3.98Å; R205-E223 PolarHBondContact NH1-OE2 2.95Å; E223-S225 PolarHBondContact O-N 2.89Å; E223-A228 HydrophobicContact CB-CB 4.27Å; E223-A228 WeakPolarHBondContact O-CB 3.31Å; E223-F298 WeakPolarHBondContact O-CZ 3.34Å
224D92.5Very high94.1Very high68 Ų6861.7 Ų61.736%0.36432%0.322SS..SBendtrans-83.365.7170.3-138.4-33.1000110.6S260 R261 N295D224-S260 WeakPolarHBondContact OD1-CB 3.41Å; D224-S260 PolarHBondContact OD1-OG 3.44Å; D224-S260 VanDerWaalsContact OD2-CB 3.3Å; D224-S260 WeakPolarHBondContact OD2-CB 3.41Å; D224-R261 HydrophobicContact CB-CG 4.49Å; D224-R261 IonicContact OD2-CZ 2.71Å; D224-R261 IonicContact OD2-NE 3.83Å; D224-R261 PolarHBondContact OD2-NE 3.44Å; D224-R261 IonicContact OD2-NH2 3.5Å; D224-N295 PolarHBondContact OD1-ND2 3.44Å
225S89.6Confident94.7Very high28 Ų2856 Ų5620%0.19630%0.296CS..SBendtrans-129.5142.2-170178.90000110.6E223 M227 A228E223-S225 PolarHBondContact O-N 2.89Å; S225-M227 PolarHBondContact O-N 2.92Å; S225-M227 PolarHBondContact OG-N 2.99Å; S225-A228 PolarHBondContact O-N 2.78Å
226P81.8Confident94.9Very high85 Ų8557.6 Ų57.655%0.55231%0.305SS*.THydrogen-bonded Turntrans-55.3-21.3170.8-26.535.9000114.4S297P226-S297 VanDerWaalsContact CA-OG 3.32Å; P226-S297 WeakPolarHBondContact CA-OG 3.26Å; P226-S297 WeakPolarHBondContact O-CB 3.11Å; P226-S297 PolarHBondContact O-OG 2.89Å; P226-S297 VanDerWaalsContact O-OG 3.07Å
227M89.8Confident95.1Very high166 Ų16653 Ų5382%0.81828%0.28SS*.THydrogen-bonded Turntrans-90.7-7.4-179.6-55.4-67.891.800113.8S225S225-M227 PolarHBondContact O-N 2.92Å; S225-M227 PolarHBondContact OG-N 2.99Å
228A91.8Very high95.2Very high17 Ų1751 Ų5114%0.1427%0.273CS..  trans-81.2138.1-179.100000111.1V222 E223 S225 F298 Q301V222-A228 HydrophobicContact CG1-CB 4.25Å; E223-A228 HydrophobicContact CB-CB 4.27Å; E223-A228 WeakPolarHBondContact O-CB 3.31Å; S225-A228 PolarHBondContact O-N 2.78Å; A228-F298 HydrophobicContact CB-CE1 4Å; A228-F298 HydrophobicContact CB-CZ 4.22Å; A228-Q301 PolarHBondContact O-NE2 3.4Å
229D96.2Very high95.2Very high79 Ų7953 Ų5342%0.42228%0.283SS..  trans-91.3117164.2175.919.9000108.4S231 S232D229-S231 PolarHBondContact OD1-N 3.41Å; D229-S231 PolarHBondContact OD1-OG 3.06Å; D229-S232 PolarHBondContact OD1-N 3.11Å; D229-S232 VanDerWaalsContact OD1-N 3.13Å; D229-S232 WeakPolarHBondContact OD2-CB 3.41Å; D229-S232 PolarHBondContact OD2-OG 3.43Å
230I98.4Very high95.3Very high0 Ų049.4 Ų49.40%027%0.27CS..  trans-106.5-18.7171.1-166.7169.5000111.1V203 V222 H233 F234 R261 T264 I265 F298 Q301V203-I230 HydrophobicContact CG1-CD1 4.1Å; V222-I230 HydrophobicContact CG1-CB 4.03Å; V222-I230 HydrophobicContact CG1-CD1 4.13Å; V222-I230 HydrophobicContact CG1-CG1 4.1Å; V222-I230 HydrophobicContact CG2-CG1 4.27Å; I230-H233 PolarHBondContact O-N 3.16Å; I230-F234 HydrophobicContact CB-CE1 4.42Å; I230-F234 HydrophobicContact CG1-CE1 4.12Å; I230-F234 HydrophobicContact CG2-CE1 3.93Å; I230-F234 HydrophobicContact CG2-CZ 4.16Å; I230-F234 WeakPolarHBondContact O-CD1 3.28Å; I230-F234 WeakPolarHBondContact O-CE1 3.15Å; I230-R261 HydrophobicContact CD1-CB 4.2Å; I230-R261 HydrophobicContact CD1-CG 4.26Å; I230-T264 HydrophobicContact CD1-CG2 4.1Å; I230-T264 HydrophobicContact CG2-CG2 3.81Å; I230-I265 HydrophobicContact CD1-CD1 4.04Å; I230-I265 HydrophobicContact CD1-CG1 4.24Å; I230-I265 HydrophobicContact CG1-CD1 3.91Å; I230-F298 HydrophobicContact CB-CD1 4.13Å; I230-F298 HydrophobicContact CB-CE1 3.83Å; I230-F298 HydrophobicContact CB-CZ 4.15Å; I230-F298 HydrophobicContact CD1-CD2 4.49Å; I230-F298 HydrophobicContact CD1-CE2 4.2Å; I230-F298 HydrophobicContact CD1-CZ 4.31Å; I230-F298 HydrophobicContact CG2-CB 4.25Å; I230-F298 HydrophobicContact CG2-CD1 3.31Å; I230-F298 HydrophobicContact CG2-CD2 4.22Å; I230-F298 HydrophobicContact CG2-CE1 3.55Å; I230-F298 HydrophobicContact CG2-CE2 4.44Å; I230-F298 HydrophobicContact CG2-CG 3.67Å; I230-F298 HydrophobicContact CG2-CZ 4.12Å; I230-Q301 VanDerWaalsContact CG2-OE1 3.27Å
231S98.1Very high95.3Very high35 Ų3549.3 Ų49.325%0.24527%0.269CS..G310 helixtrans-62.3-40.3178.826.50000113.9D229 H233 F234 Q301D229-S231 PolarHBondContact OD1-N 3.41Å; D229-S231 PolarHBondContact OD1-OG 3.06Å; S231-H233 PolarHBondContact O-N 3.36Å; S231-H233 VanDerWaalsContact O-N 3.1Å; S231-F234 WeakPolarHBondContact O-CB 3.45Å; S231-F234 WeakPolarHBondContact O-CG 3.49Å; S231-F234 PolarHBondContact O-N 3.44Å; S231-Q301 VanDerWaalsContact N-OE1 3.14Å; S231-Q301 WeakPolarHBondContact OG-CG 3.43Å; S231-Q301 PolarHBondContact OG-OE1 3.46Å; S231-Q301 VanDerWaalsContact OG-OE1 3.12Å
232S97.3Very high95.4Very high75 Ų7547.5 Ų47.552%0.52426%0.255SS..G310 helixtrans-59.1-22.8176.346.40000113.7D229D229-S232 PolarHBondContact OD1-N 3.11Å; D229-S232 VanDerWaalsContact OD1-N 3.13Å; D229-S232 WeakPolarHBondContact OD2-CB 3.41Å; D229-S232 PolarHBondContact OD2-OG 3.43Å
233H98.3Very high95.6Very high51 Ų5152.7 Ų52.724%0.23628%0.279CS..G310 helixtrans-93.9-1176.8-63.9-73.5000114.4I220 I230 S231 E236 A237I220-H233 HydrophobicContact CD1-CB 4.42Å; I220-H233 HydrophobicContact CG2-CB 3.63Å; I220-H233 VanDerWaalsContact CG2-CG 3.4Å; I220-H233 WeakPolarHBondContact CG2-ND1 3.48Å; I230-H233 PolarHBondContact O-N 3.16Å; S231-H233 PolarHBondContact O-N 3.36Å; S231-H233 VanDerWaalsContact O-N 3.1Å; H233-E236 IonicContact CE1-OE2 3.71Å; H233-E236 IonicContact CG-OE2 3.57Å; H233-E236 IonicContact ND1-OE2 3.06Å; H233-E236 PolarHBondContact ND1-OE2 3.26Å; H233-E236 PolarHBondContact O-N 3.05Å; H233-A237 WeakPolarHBondContact O-CB 3.15Å; H233-A237 PolarHBondContact O-N 3.44Å
234F98.5Very high96Very high2 Ų248.4 Ų48.41%0.00926%0.26CS..Hα-helixtrans-61.9-49.2-177.4-71.5-11.3000112.3I230 S231 E236 A237 I238 T264 I265 A268 L302 F305I230-F234 HydrophobicContact CB-CE1 4.42Å; I230-F234 HydrophobicContact CG1-CE1 4.12Å; I230-F234 HydrophobicContact CG2-CE1 3.93Å; I230-F234 HydrophobicContact CG2-CZ 4.16Å; I230-F234 WeakPolarHBondContact O-CD1 3.28Å; I230-F234 WeakPolarHBondContact O-CE1 3.15Å; S231-F234 WeakPolarHBondContact O-CB 3.45Å; S231-F234 WeakPolarHBondContact O-CG 3.49Å; S231-F234 PolarHBondContact O-N 3.44Å; F234-E236 VanDerWaalsContact C-N 3.34Å; F234-E236 PolarHBondContact O-N 3.16Å; F234-A237 PolarHBondContact O-N 3.06Å; F234-I238 HydrophobicContact CB-CD1 4.37Å; F234-I238 WeakPolarHBondContact O-CB 3.45Å; F234-I238 VanDerWaalsContact O-CD1 3.28Å; F234-I238 WeakPolarHBondContact O-CD1 3.48Å; F234-I238 WeakPolarHBondContact O-CG1 3.5Å; F234-I238 PolarHBondContact O-N 3.45Å; F234-T264 HydrophobicContact CE1-CG2 3.83Å; F234-T264 HydrophobicContact CZ-CG2 3.86Å; F234-I265 HydrophobicContact CD1-CD1 3.7Å; F234-I265 HydrophobicContact CE1-CD1 3.95Å; F234-A268 HydrophobicContact CB-CB 4.27Å; F234-A268 HydrophobicContact CD1-CB 3.89Å; F234-A268 HydrophobicContact CD2-CB 3.85Å; F234-A268 HydrophobicContact CE1-CB 4.13Å; F234-A268 HydrophobicContact CE2-CB 4.09Å; F234-A268 HydrophobicContact CG-CB 3.74Å; F234-A268 HydrophobicContact CZ-CB 4.22Å; F234-L302 HydrophobicContact CE2-CD2 3.89Å; F234-L302 HydrophobicContact CZ-CD2 3.64Å; F234-L302 HydrophobicContact CZ-CG 4.19Å; F234-F305 HydrophobicContact CB-CE2 4.13Å; F234-F305 HydrophobicContact CB-CZ 4.15Å; F234-F305 HydrophobicContact CD2-CB 3.89Å; F234-F305 AromaticContact CD2-CD1 3.73Å; F234-F305 HydrophobicContact CD2-CD1 3.73Å; F234-F305 AromaticContact CD2-CD2 3.71Å; F234-F305 HydrophobicContact CD2-CD2 3.71Å; F234-F305 HydrophobicContact CD2-CE1 4.1Å; F234-F305 HydrophobicContact CD2-CE2 4.06Å; F234-F305 AromaticContact CD2-CG 3.5Å; F234-F305 HydrophobicContact CD2-CG 3.5Å; F234-F305 VanDerWaalsContact CD2-CG 3.5Å; F234-F305 HydrophobicContact CD2-CZ 4.23Å; F234-F305 HydrophobicContact CE2-CB 3.79Å; F234-F305 HydrophobicContact CE2-CD1 4.09Å; F234-F305 HydrophobicContact CE2-CD2 4.47Å; F234-F305 AromaticContact CE2-CG 3.89Å; F234-F305 HydrophobicContact CE2-CG 3.89Å
235Q97.7Very high96.3Very high77 Ų7749.3 Ų49.336%0.3626%0.26SS..Hα-helixtrans-63.4-42.1-179.8-17660.637.300111.1A237 I238 E239 R272Q235-A237 VanDerWaalsContact C-N 3.34Å; Q235-A237 PolarHBondContact O-N 3.14Å; Q235-I238 PolarHBondContact O-N 3.28Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.42Å; Q235-E239 PolarHBondContact NE2-OE1 3.32Å; Q235-E239 WeakPolarHBondContact O-CG 3.32Å; Q235-E239 PolarHBondContact O-N 2.87Å; Q235-R272 VanDerWaalsContact OE1-NH2 3.14Å
236E98.4Very high96.7Very high70 Ų7055.5 Ų55.533%0.32729%0.286SS..Hα-helixtrans-58.8-40.7175.6177.9-173.7-172.100113.2K218 I220 H233 F234K218-E236 WeakPolarHBondContact CE-OE1 3.02Å; K218-E236 PolarHBondContact NZ-O 3.38Å; K218-E236 IonicContact NZ-OE1 2.89Å; K218-E236 PolarHBondContact NZ-OE1 3.07Å; I220-E236 HydrophobicContact CD1-CG 4.23Å; H233-E236 IonicContact CE1-OE2 3.71Å; H233-E236 IonicContact CG-OE2 3.57Å; H233-E236 IonicContact ND1-OE2 3.06Å; H233-E236 PolarHBondContact ND1-OE2 3.26Å; H233-E236 PolarHBondContact O-N 3.05Å; F234-E236 VanDerWaalsContact C-N 3.34Å; F234-E236 PolarHBondContact O-N 3.16Å
237A98.7Very high97.4Very high0 Ų055.6 Ų55.60%029%0.289CS..Hα-helixtrans-73.7-40.6177.800000112L201 I220 H233 F234 Q235 F240 I241 I265L201-A237 HydrophobicContact CD2-CB 3.96Å; I220-A237 HydrophobicContact CD1-CB 3.89Å; H233-A237 WeakPolarHBondContact O-CB 3.15Å; H233-A237 PolarHBondContact O-N 3.44Å; F234-A237 PolarHBondContact O-N 3.06Å; Q235-A237 VanDerWaalsContact C-N 3.34Å; Q235-A237 PolarHBondContact O-N 3.14Å; A237-F240 PolarHBondContact O-N 3.09Å; A237-I241 VanDerWaalsContact O-CG1 3.31Å; A237-I241 WeakPolarHBondContact O-CG1 3.33Å; A237-I241 PolarHBondContact O-N 3.11Å; A237-I241 VanDerWaalsContact O-N 3.08Å; A237-I265 HydrophobicContact CB-CD1 4.16Å; A237-I265 HydrophobicContact CB-CG2 3.71Å
238I98.6Very high97.8Very high4 Ų451 Ų512%0.02128%0.283CS..Hα-helixtrans-63.9-45.5179.7-71.7162.4000110.7F234 Q235 F240 I241 D242 Y269 R272 F305F234-I238 HydrophobicContact CB-CD1 4.37Å; F234-I238 WeakPolarHBondContact O-CB 3.45Å; F234-I238 VanDerWaalsContact O-CD1 3.28Å; F234-I238 WeakPolarHBondContact O-CD1 3.48Å; F234-I238 WeakPolarHBondContact O-CG1 3.5Å; F234-I238 PolarHBondContact O-N 3.45Å; Q235-I238 PolarHBondContact O-N 3.28Å; I238-F240 VanDerWaalsContact C-N 3.3Å; I238-F240 PolarHBondContact O-N 3.39Å; I238-I241 PolarHBondContact O-N 3.26Å; I238-D242 PolarHBondContact O-N 2.83Å; I238-Y269 HydrophobicContact CB-CD2 4.23Å; I238-Y269 HydrophobicContact CG1-CD2 4.03Å; I238-Y269 HydrophobicContact CG2-CD2 3.99Å; I238-Y269 HydrophobicContact CG2-CE2 4.22Å; I238-R272 HydrophobicContact CD1-CB 3.92Å; I238-R272 HydrophobicContact CD1-CG 4.06Å; I238-R272 HydrophobicContact CG2-CG 4.19Å; I238-F305 HydrophobicContact CD1-CE1 4.27Å; I238-F305 HydrophobicContact CD1-CZ 3.77Å
239E98.5Very high98.1Very high91 Ų9150.5 Ų50.543%0.42528%0.281SS..Hα-helixtrans-59-40.8177-75.3169-171.900112.3Q235 D242 Q243Q235-E239 WeakPolarHBondContact CG-OE1 3.42Å; Q235-E239 PolarHBondContact NE2-OE1 3.32Å; Q235-E239 WeakPolarHBondContact O-CG 3.32Å; Q235-E239 PolarHBondContact O-N 2.87Å; E239-D242 PolarHBondContact O-N 3.37Å; E239-Q243 WeakPolarHBondContact O-CB 3.41Å; E239-Q243 WeakPolarHBondContact O-CG 3.44Å; E239-Q243 PolarHBondContact O-N 3.36Å
240F98.8Very high98.2Very high17 Ų1749.3 Ų49.38%0.07527%0.272CS..Hα-helixtrans-65.4-43.6176.2-179.1-107.1000112.1A199 L201 D216 K218 A237 I238 D242 Q243 V244 V251A199-F240 HydrophobicContact CB-CE1 4.35Å; A199-F240 HydrophobicContact CB-CZ 4.05Å; L201-F240 HydrophobicContact CB-CD1 4.04Å; L201-F240 HydrophobicContact CB-CE1 3.93Å; L201-F240 HydrophobicContact CD1-CD1 4.11Å; L201-F240 HydrophobicContact CD1-CE1 4.48Å; L201-F240 HydrophobicContact CD2-CD1 4.36Å; L201-F240 HydrophobicContact CG-CD1 4.4Å; D216-F240 HydrophobicContact CB-CE2 4.39Å; D216-F240 HydrophobicContact CB-CZ 4.37Å; D216-F240 WeakPolarHBondContact O-CZ 3.5Å; K218-F240 HydrophobicContact CB-CD1 4.01Å; K218-F240 HydrophobicContact CB-CD2 3.91Å; K218-F240 HydrophobicContact CB-CE1 3.84Å; K218-F240 HydrophobicContact CB-CE2 3.74Å; K218-F240 HydrophobicContact CB-CG 4.03Å; K218-F240 HydrophobicContact CB-CZ 3.69Å; K218-F240 HydrophobicContact CD-CB 3.68Å; K218-F240 HydrophobicContact CD-CD1 4.23Å; K218-F240 HydrophobicContact CD-CD2 3.73Å; K218-F240 HydrophobicContact CD-CE2 4.41Å; K218-F240 HydrophobicContact CD-CG 3.61Å; K218-F240 HydrophobicContact CG-CD2 4.46Å; K218-F240 HydrophobicContact CG-CG 4.45Å; A237-F240 PolarHBondContact O-N 3.09Å; I238-F240 VanDerWaalsContact C-N 3.3Å; I238-F240 PolarHBondContact O-N 3.39Å; F240-D242 VanDerWaalsContact C-N 3.33Å; F240-D242 PolarHBondContact O-N 2.97Å; F240-Q243 PolarHBondContact O-N 3.06Å; F240-V244 HydrophobicContact CE1-CG2 4.49Å; F240-V244 HydrophobicContact CZ-CG2 4.36Å; F240-V244 WeakPolarHBondContact O-CG2 3.36Å; F240-V244 PolarHBondContact O-N 2.91Å; F240-V244 VanDerWaalsContact O-N 3.15Å; F240-V251 HydrophobicContact CD1-CG2 4.45Å; F240-V251 HydrophobicContact CE1-CG2 3.99Å
241I98.8Very high98.2Very high0 Ų049.3 Ų49.30%027%0.272CS..Hα-helixtrans-62.9-41.3175.9-63.7162.6000110.6F177 L178 L201 A237 I238 V244 K245 V251 V253 I265 Y269F177-I241 HydrophobicContact CD2-CG2 4.27Å; F177-I241 HydrophobicContact CE2-CG2 3.92Å; L178-I241 HydrophobicContact CD1-CD1 4.23Å; L178-I241 HydrophobicContact CD1-CG1 4.47Å; L178-I241 HydrophobicContact CD1-CG2 4.23Å; L201-I241 HydrophobicContact CD2-CD1 4.29Å; L201-I241 HydrophobicContact CD2-CG1 4.32Å; A237-I241 VanDerWaalsContact O-CG1 3.31Å; A237-I241 WeakPolarHBondContact O-CG1 3.33Å; A237-I241 PolarHBondContact O-N 3.11Å; A237-I241 VanDerWaalsContact O-N 3.08Å; I238-I241 PolarHBondContact O-N 3.26Å; I241-V244 PolarHBondContact O-N 3.11Å; I241-K245 WeakPolarHBondContact O-CB 3.35Å; I241-K245 PolarHBondContact O-N 3.25Å; I241-V251 HydrophobicContact CB-CG1 4.32Å; I241-V251 HydrophobicContact CG1-CG1 4.07Å; I241-V251 HydrophobicContact CG2-CG1 3.95Å; I241-V253 HydrophobicContact CD1-CG2 4.07Å; I241-V253 HydrophobicContact CG1-CG2 4.32Å; I241-I265 HydrophobicContact CD1-CG2 4.16Å; I241-Y269 HydrophobicContact CB-CD2 3.81Å; I241-Y269 HydrophobicContact CB-CE2 3.75Å; I241-Y269 HydrophobicContact CD1-CD2 3.88Å; I241-Y269 HydrophobicContact CD1-CG 4.09Å; I241-Y269 HydrophobicContact CG1-CD2 4.47Å; I241-Y269 HydrophobicContact CG2-CD1 4.29Å; I241-Y269 HydrophobicContact CG2-CD2 3.64Å; I241-Y269 HydrophobicContact CG2-CE1 4.05Å; I241-Y269 HydrophobicContact CG2-CE2 3.36Å; I241-Y269 HydrophobicContact CG2-CG 4.12Å
242D98.3Very high98.2Very high36 Ų3647.7 Ų47.719%0.19326%0.26CS..Hα-helixtrans-70.2-34178.1-84.7-28.7000113I238 E239 F240 K245 Q246 Y269I238-D242 PolarHBondContact O-N 2.83Å; E239-D242 PolarHBondContact O-N 3.37Å; F240-D242 VanDerWaalsContact C-N 3.33Å; F240-D242 PolarHBondContact O-N 2.97Å; D242-K245 PolarHBondContact O-N 2.78Å; D242-K245 IonicContact OD1-NZ 3Å; D242-Q246 WeakPolarHBondContact O-CB 3.33Å; D242-Q246 WeakPolarHBondContact O-CG 3.32Å; D242-Q246 PolarHBondContact O-N 2.65Å; D242-Q246 PolarHBondContact O-NE2 2.91Å; D242-Y269 WeakPolarHBondContact OD1-CE2 3.33Å; D242-Y269 PolarHBondContact OD1-OH 2.83Å
243Q98.4Very high98.3Very high113 Ų11344.1 Ų44.153%0.52824%0.235SC..Hα-helixtrans-61.1-47.7171.9-75.9163.912.600111.3E239 F240 K245 Q246 S247E239-Q243 WeakPolarHBondContact O-CB 3.41Å; E239-Q243 WeakPolarHBondContact O-CG 3.44Å; E239-Q243 PolarHBondContact O-N 3.36Å; F240-Q243 PolarHBondContact O-N 3.06Å; Q243-K245 VanDerWaalsContact C-N 3.33Å; Q243-K245 PolarHBondContact O-N 3.46Å; Q243-Q246 PolarHBondContact O-N 3.37Å; Q243-S247 PolarHBondContact O-N 3.07Å; Q243-S247 PolarHBondContact O-OG 2.87Å
244V98.3Very high98.3Very high3 Ų341.9 Ų41.92%0.01823%0.225CC..Hα-helixtrans-64.3-38.7178176.40000111.6A199 F240 I241 S247 G248 G249 V251A199-V244 HydrophobicContact CB-CB 4.23Å; A199-V244 HydrophobicContact CB-CG1 3.84Å; A199-V244 HydrophobicContact CB-CG2 3.33Å; F240-V244 HydrophobicContact CE1-CG2 4.49Å; F240-V244 HydrophobicContact CZ-CG2 4.36Å; F240-V244 WeakPolarHBondContact O-CG2 3.36Å; F240-V244 PolarHBondContact O-N 2.91Å; F240-V244 VanDerWaalsContact O-N 3.15Å; I241-V244 PolarHBondContact O-N 3.11Å; V244-S247 PolarHBondContact O-OG 2.99Å; V244-G248 PolarHBondContact O-N 3.5Å; V244-G249 WeakPolarHBondContact O-CA 3.39Å; V244-G249 PolarHBondContact O-N 2.95Å; V244-V251 HydrophobicContact CB-CB 4.34Å; V244-V251 HydrophobicContact CG1-CB 4.03Å; V244-V251 HydrophobicContact CG2-CB 4.44Å
245K98.1Very high98.2Very high86 Ų8641.8 Ų41.837%0.37423%0.225SC..Hα-helixtrans-63.4-41.9173.6178-167.5-176.7-178.50112.2F177 I241 D242 Q243 G248 Y269F177-K245 HydrophobicContact CD1-CD 4.31Å; F177-K245 HydrophobicContact CD1-CG 3.93Å; F177-K245 HydrophobicContact CD2-CB 3.76Å; F177-K245 HydrophobicContact CD2-CD 4.21Å; F177-K245 HydrophobicContact CD2-CG 3.95Å; F177-K245 HydrophobicContact CE1-CD 3.86Å; F177-K245 HydrophobicContact CE1-CG 4.01Å; F177-K245 HydrophobicContact CE2-CB 4.05Å; F177-K245 HydrophobicContact CE2-CD 3.76Å; F177-K245 HydrophobicContact CE2-CG 4.02Å; F177-K245 HydrophobicContact CG-CB 4.06Å; F177-K245 HydrophobicContact CG-CD 4.48Å; F177-K245 HydrophobicContact CG-CG 3.91Å; F177-K245 HydrophobicContact CZ-CD 3.57Å; F177-K245 HydrophobicContact CZ-CG 4.05Å; I241-K245 WeakPolarHBondContact O-CB 3.35Å; I241-K245 PolarHBondContact O-N 3.25Å; D242-K245 PolarHBondContact O-N 2.78Å; D242-K245 IonicContact OD1-NZ 3Å; Q243-K245 VanDerWaalsContact C-N 3.33Å; Q243-K245 PolarHBondContact O-N 3.46Å; K245-G248 PolarHBondContact O-N 3.22Å; K245-G248 VanDerWaalsContact O-N 3.12Å; K245-Y269 PolarHBondContact NZ-OH 3.17Å
246Q97.8Very high98Very high159 Ų15941.7 Ų41.774%0.74322%0.224SC*.Hα-helixtrans-68.5-31.7-179.6-75.4167.741.900112.7D242 Q243 G248D242-Q246 WeakPolarHBondContact O-CB 3.33Å; D242-Q246 WeakPolarHBondContact O-CG 3.32Å; D242-Q246 PolarHBondContact O-N 2.65Å; D242-Q246 PolarHBondContact O-NE2 2.91Å; Q243-Q246 PolarHBondContact O-N 3.37Å; Q246-G248 PolarHBondContact O-N 2.71Å
247S97.2Very high97.6Very high86 Ų8639.8 Ų39.860%0.60122%0.22SC*.THydrogen-bonded Turntrans-77.30.4171.663.30000113.9Q243 V244 G249Q243-S247 PolarHBondContact O-N 3.07Å; Q243-S247 PolarHBondContact O-OG 2.87Å; V244-S247 PolarHBondContact O-OG 2.99Å; S247-G249 PolarHBondContact O-N 3.06Å
248G97.4Very high97.5Very high69 Ų6939.8 Ų39.871%0.71122%0.22SC*.THydrogen-bonded Turntrans74.811.4-176.100000114.1V244 K245 Q246V244-G248 PolarHBondContact O-N 3.5Å; K245-G248 PolarHBondContact O-N 3.22Å; K245-G248 VanDerWaalsContact O-N 3.12Å; Q246-G248 PolarHBondContact O-N 2.71Å
249G98Very high97.3Very high8 Ų841.2 Ų41.28%0.08223%0.227CC..  trans-81.9-173179.300000114.1T198 V244 S247T198-G249 VanDerWaalsContact OG1-CA 3.28Å; T198-G249 WeakPolarHBondContact OG1-CA 3.4Å; V244-G249 WeakPolarHBondContact O-CA 3.39Å; V244-G249 PolarHBondContact O-N 2.95Å; S247-G249 PolarHBondContact O-N 3.06Å
250K98.7Very high97.3Very high54 Ų5437.1 Ų37.124%0.23521%0.209CC..  trans-136131.4177.6-61.4179163.6-163.40110.3P176 F177 Y179 L195 H196 I197 T198 A199P176-K250 WeakPolarHBondContact O-CE 3.43Å; F177-K250 WeakPolarHBondContact O-CA 3.38Å; Y179-K250 HydrophobicContact CD2-CB 4.49Å; Y179-K250 HydrophobicContact CE2-CB 4.27Å; Y179-K250 HydrophobicContact CE2-CD 3.82Å; Y179-K250 HydrophobicContact CE2-CG 4.33Å; Y179-K250 PolarHBondContact OH-NZ 3.27Å; L195-K250 WeakPolarHBondContact O-CD 3.37Å; L195-K250 PolarHBondContact O-NZ 2.81Å; H196-K250 HydrophobicContact CB-CD 4.39Å; H196-K250 WeakPolarHBondContact O-CD 3.32Å; I197-K250 HydrophobicContact CD1-CB 4.07Å; T198-K250 PolarHBondContact N-O 3.16Å; T198-K250 PolarHBondContact OG1-N 3.38Å; T198-K250 PolarHBondContact OG1-O 3.2Å; A199-K250 PolarHBondContact N-O 3.1Å
251V98.8Very high97.3Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-106.9134.5178.659.20000111.5F177 L178 Y179 A199 L201 F240 I241 V244 V253F177-V251 WeakPolarHBondContact O-CG1 3.37Å; F177-V251 PolarHBondContact O-N 2.87Å; L178-V251 HydrophobicContact CD1-CG1 3.95Å; Y179-V251 PolarHBondContact N-O 2.71Å; A199-V251 HydrophobicContact CB-CB 4.11Å; A199-V251 HydrophobicContact CB-CG2 4.18Å; A199-V251 WeakPolarHBondContact O-CA 3.22Å; L201-V251 HydrophobicContact CB-CG2 4.14Å; F240-V251 HydrophobicContact CD1-CG2 4.45Å; F240-V251 HydrophobicContact CE1-CG2 3.99Å; I241-V251 HydrophobicContact CB-CG1 4.32Å; I241-V251 HydrophobicContact CG1-CG1 4.07Å; I241-V251 HydrophobicContact CG2-CG1 3.95Å; V244-V251 HydrophobicContact CB-CB 4.34Å; V244-V251 HydrophobicContact CG1-CB 4.03Å; V244-V251 HydrophobicContact CG2-CB 4.44Å; V251-V253 HydrophobicContact CG2-CG2 4.29Å
252L98.7Very high97.3Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-96.8116162.6169.364.6000109.4P171 H185 A186 L192 I197 A199 L200 L201 H254P171-L252 HydrophobicContact CB-CD1 3.58Å; P171-L252 HydrophobicContact CB-CD2 4.46Å; P171-L252 HydrophobicContact CG-CD1 4.06Å; P171-L252 HydrophobicContact CG-CD2 4.19Å; H185-L252 HydrophobicContact CB-CD2 4.46Å; A186-L252 HydrophobicContact CB-CD2 4.21Å; L192-L252 HydrophobicContact CD2-CD2 3.62Å; I197-L252 HydrophobicContact CD1-CB 4.3Å; I197-L252 HydrophobicContact CG2-CB 4.18Å; A199-L252 PolarHBondContact O-N 3.15Å; L200-L252 HydrophobicContact CD2-CB 3.8Å; L200-L252 HydrophobicContact CD2-CD2 4.05Å; L200-L252 HydrophobicContact CD2-CG 4.29Å; L201-L252 PolarHBondContact N-O 2.93Å; L252-H254 HydrophobicContact CG-CB 4.45Å
253V98.8Very high97.3Very high0 Ų035.3 Ų35.30%020%0.199CC..EExtended strand (participates in β ladder)trans-91121.2170-172.50000108.5L178 Y179 L180 G181 L201 V203 I241 V251 I265L178-V253 HydrophobicContact CD1-CB 4.49Å; L178-V253 HydrophobicContact CD1-CG2 3.48Å; L178-V253 VanDerWaalsContact CD1-CG2 3.48Å; Y179-V253 PolarHBondContact O-N 2.99Å; L180-V253 WeakPolarHBondContact CA-O 3.35Å; G181-V253 PolarHBondContact N-O 2.84Å; G181-V253 VanDerWaalsContact N-O 3.09Å; L201-V253 HydrophobicContact CB-CB 4.48Å; L201-V253 HydrophobicContact CB-CG1 4.38Å; L201-V253 HydrophobicContact CB-CG2 4.14Å; L201-V253 HydrophobicContact CD2-CG1 4.04Å; L201-V253 HydrophobicContact CD2-CG2 4.04Å; L201-V253 HydrophobicContact CG-CG1 4.26Å; V203-V253 HydrophobicContact CG2-CG1 3.98Å; I241-V253 HydrophobicContact CD1-CG2 4.07Å; I241-V253 HydrophobicContact CG1-CG2 4.32Å; V251-V253 HydrophobicContact CG2-CG2 4.29Å; V253-I265 HydrophobicContact CG1-CB 4.19Å; V253-I265 HydrophobicContact CG1-CG2 4.04Å
254H98.3Very high97.4Very high4 Ų429.9 Ų29.92%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-136.2161.8-178.277.696.3000112.8G181 A186 L201 N202 V203 L252 S262G181-H254 WeakPolarHBondContact O-CA 3.35Å; A186-H254 HydrophobicContact CB-CB 4.46Å; L201-H254 PolarHBondContact O-N 3.38Å; N202-H254 WeakPolarHBondContact CB-NE2 3.36Å; V203-H254 PolarHBondContact N-O 3.01Å; L252-H254 HydrophobicContact CG-CB 4.45Å; H254-S262 VanDerWaalsContact C-CB 3.45Å
255C96.9Very high97.4Very high1 Ų129.8 Ų29.81%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-135.1-154.1165.471.90000107.8S182 A183 V203 G258 R261 S262S182-C255 CarbonylContact C-O 3.32Å; A183-C255 PolarHBondContact N-O 3.37Å; V203-C255 WeakPolarHBondContact O-CB 3.38Å; C255-G258 PolarHBondContact SG-N 3.29Å; C255-G258 VanDerWaalsContact SG-N 3.37Å; C255-R261 HydrophobicContact CB-CB 3.75Å; C255-S262 PolarHBondContact N-OG 3.42Å; C255-S262 PolarHBondContact SG-OG 2.84Å; C255-S262 VanDerWaalsContact SG-OG 3.41Å
256E92.2Very high97.4Very high75 Ų7525.7 Ų25.735%0.3516%0.155SC..SBendtrans-61.4-61.7177.2-161.683.8-161.600111.5S182 A183 R206S182-E256 WeakPolarHBondContact CB-O 3.47Å; A183-E256 PolarHBondContact N-O 2.8Å; R206-E256 IonicContact NH1-OE1 2.77Å; R206-E256 PolarHBondContact NH1-OE1 3.41Å; R206-E256 IonicContact NH1-OE2 2.67Å
257A91.1Very high97.5Very high29 Ų2918.1 Ų18.124%0.2412%0.12CC..SBendtrans-106.2-7.5-173.500000114.8I259 R289A257-I259 VanDerWaalsContact C-N 3.3Å; A257-I259 HydrophobicContact CB-CB 4.49Å; A257-I259 HydrophobicContact CB-CD1 3.98Å; A257-I259 HydrophobicContact CB-CG1 4.18Å; A257-I259 PolarHBondContact O-N 2.75Å; A257-R289 PolarHBondContact O-NH2 3.02Å
258G95.9Very high97.5Very high0 Ų014.1 Ų14.10%09%0.092CC..SBendtrans65.429.8-175.100000114.4G181 C255 R289G181-G258 WeakPolarHBondContact O-CA 3.39Å; C255-G258 PolarHBondContact SG-N 3.29Å; C255-G258 VanDerWaalsContact SG-N 3.37Å; G258-R289 PolarHBondContact O-NE 3.07Å
259I95.3Very high97.6Very high34 Ų3410.8 Ų10.817%0.1746%0.058CC..SBendtrans-109.1-39.6-175-70.7172.2000112.7Y166 A257 P263 V291 I292 S293Y166-I259 HydrophobicContact CE1-CD1 4.26Å; Y166-I259 HydrophobicContact CE2-CD1 4.31Å; A257-I259 VanDerWaalsContact C-N 3.3Å; A257-I259 HydrophobicContact CB-CB 4.49Å; A257-I259 HydrophobicContact CB-CD1 3.98Å; A257-I259 HydrophobicContact CB-CG1 4.18Å; A257-I259 PolarHBondContact O-N 2.75Å; I259-P263 WeakPolarHBondContact O-CG 3.38Å; I259-V291 HydrophobicContact CG1-CB 4.46Å; I259-V291 HydrophobicContact CG1-CG2 4.18Å; I259-I292 WeakPolarHBondContact O-CA 3.19Å; I259-S293 CarbonylContact O-C 3.59Å; I259-S293 PolarHBondContact O-N 2.99Å
260S98Very high97.6Very high5 Ų510.4 Ų10.44%0.0355%0.054CC..SBendtrans-121.9-70-171.61660000113.2D224 P263 T264 N295 F298D224-S260 WeakPolarHBondContact OD1-CB 3.41Å; D224-S260 PolarHBondContact OD1-OG 3.44Å; D224-S260 VanDerWaalsContact OD2-CB 3.3Å; D224-S260 WeakPolarHBondContact OD2-CB 3.41Å; S260-P263 WeakPolarHBondContact O-CD 3.38Å; S260-T264 WeakPolarHBondContact O-CB 3.33Å; S260-T264 PolarHBondContact O-N 3.23Å; S260-T264 PolarHBondContact O-OG1 2.81Å; S260-N295 PolarHBondContact OG-N 3.25Å; S260-F298 WeakPolarHBondContact OG-CD2 3.45Å
261R98.8Very high97.5Very high15 Ų157.9 Ų7.96%0.0574%0.043CC..Hα-helixtrans-59.1-56.6-176.2-70163.4-74.6170.92115.2V203 V222 D224 I230 C255 T264 I265 F298V203-R261 HydrophobicContact CB-CB 4.36Å; V203-R261 HydrophobicContact CG1-CB 4.08Å; V203-R261 WeakPolarHBondContact O-CB 3.24Å; V203-R261 WeakPolarHBondContact O-CD 3.44Å; V222-R261 HydrophobicContact CG1-CG 4.38Å; V222-R261 WeakPolarHBondContact O-CD 3.46Å; V222-R261 PolarHBondContact O-NH1 2.84Å; D224-R261 HydrophobicContact CB-CG 4.49Å; D224-R261 IonicContact OD2-CZ 2.71Å; D224-R261 IonicContact OD2-NE 3.83Å; D224-R261 PolarHBondContact OD2-NE 3.44Å; D224-R261 IonicContact OD2-NH2 3.5Å; I230-R261 HydrophobicContact CD1-CB 4.2Å; I230-R261 HydrophobicContact CD1-CG 4.26Å; C255-R261 HydrophobicContact CB-CB 3.75Å; R261-T264 VanDerWaalsContact O-CB 3.31Å; R261-T264 WeakPolarHBondContact O-CB 3.13Å; R261-T264 PolarHBondContact O-N 2.99Å; R261-I265 PolarHBondContact O-N 3.15Å; R261-F298 HydrophobicContact CG-CE2 3.53Å; R261-F298 HydrophobicContact CG-CZ 4.09Å
262S98.8Very high97.4Very high0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-65.1-40.6-179.941.70000113.8G181 H254 C255 T264 I265 C266G181-S262 PolarHBondContact O-OG 3.08Å; H254-S262 VanDerWaalsContact C-CB 3.45Å; C255-S262 PolarHBondContact N-OG 3.42Å; C255-S262 PolarHBondContact SG-OG 2.84Å; C255-S262 VanDerWaalsContact SG-OG 3.41Å; S262-T264 VanDerWaalsContact C-N 3.28Å; S262-T264 PolarHBondContact O-N 3.37Å; S262-I265 PolarHBondContact O-N 2.87Å; S262-C266 PolarHBondContact O-N 2.94Å; S262-C266 PolarHBondContact O-SG 3.32Å; S262-C266 VanDerWaalsContact O-SG 3.36Å
263P98.7Very high97.2Very high0 Ų014.7 Ų14.70%07%0.074CC..Hα-helixtrans-58.1-37.3170.2-28.137.1000113.6L180 I259 S260 C266 M267 I292L180-P263 HydrophobicContact CD1-CG 3.95Å; L180-P263 HydrophobicContact CD2-CB 4.44Å; L180-P263 HydrophobicContact CD2-CG 4.03Å; I259-P263 WeakPolarHBondContact O-CG 3.38Å; S260-P263 WeakPolarHBondContact O-CD 3.38Å; P263-C266 PolarHBondContact O-N 3.24Å; P263-M267 HydrophobicContact CB-CE 4.14Å; P263-M267 VanDerWaalsContact O-CG 3.3Å; P263-M267 WeakPolarHBondContact O-CG 3.48Å; P263-M267 PolarHBondContact O-N 2.8Å; P263-I292 HydrophobicContact CB-CB 4.07Å; P263-I292 HydrophobicContact CB-CG2 3.8Å; P263-I292 HydrophobicContact CG-CB 4.06Å; P263-I292 HydrophobicContact CG-CG2 3.5Å; P263-I292 VanDerWaalsContact CG-CG2 3.5Å
264T98.8Very high96.9Very high0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-59.9-46.9176.4-59.80000111.3I230 F234 S260 R261 S262 C266 M267 A268 F298 L302I230-T264 HydrophobicContact CD1-CG2 4.1Å; I230-T264 HydrophobicContact CG2-CG2 3.81Å; F234-T264 HydrophobicContact CE1-CG2 3.83Å; F234-T264 HydrophobicContact CZ-CG2 3.86Å; S260-T264 WeakPolarHBondContact O-CB 3.33Å; S260-T264 PolarHBondContact O-N 3.23Å; S260-T264 PolarHBondContact O-OG1 2.81Å; R261-T264 VanDerWaalsContact O-CB 3.31Å; R261-T264 WeakPolarHBondContact O-CB 3.13Å; R261-T264 PolarHBondContact O-N 2.99Å; S262-T264 VanDerWaalsContact C-N 3.28Å; S262-T264 PolarHBondContact O-N 3.37Å; T264-C266 PolarHBondContact O-N 2.87Å; T264-M267 PolarHBondContact O-N 3Å; T264-A268 PolarHBondContact O-N 3.14Å; T264-F298 HydrophobicContact CG2-CB 4.06Å; T264-F298 HydrophobicContact CG2-CG 4.44Å; T264-L302 HydrophobicContact CG2-CD1 3.88Å; T264-L302 HydrophobicContact CG2-CD2 3.99Å; T264-L302 HydrophobicContact CG2-CG 3.91Å
265I98.9Very high96.6Very high1 Ų123.3 Ų23.31%0.00511%0.113CC..Hα-helixtrans-62.1-42.5175-63.8-54.6000111.6L201 V203 I230 F234 A237 I241 V253 R261 S262 M267 A268 Y269L201-I265 HydrophobicContact CD2-CG2 4.04Å; V203-I265 HydrophobicContact CG1-CG1 4Å; V203-I265 HydrophobicContact CG2-CG1 3.95Å; I230-I265 HydrophobicContact CD1-CD1 4.04Å; I230-I265 HydrophobicContact CD1-CG1 4.24Å; I230-I265 HydrophobicContact CG1-CD1 3.91Å; F234-I265 HydrophobicContact CD1-CD1 3.7Å; F234-I265 HydrophobicContact CE1-CD1 3.95Å; A237-I265 HydrophobicContact CB-CD1 4.16Å; A237-I265 HydrophobicContact CB-CG2 3.71Å; I241-I265 HydrophobicContact CD1-CG2 4.16Å; V253-I265 HydrophobicContact CG1-CB 4.19Å; V253-I265 HydrophobicContact CG1-CG2 4.04Å; R261-I265 PolarHBondContact O-N 3.15Å; S262-I265 PolarHBondContact O-N 2.87Å; I265-M267 VanDerWaalsContact C-N 3.35Å; I265-M267 PolarHBondContact O-N 3.03Å; I265-A268 PolarHBondContact O-N 3.26Å; I265-Y269 PolarHBondContact O-N 3.39Å
266C98.8Very high96.3Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-62.1-39.3175.8-65.30000112.5S262 P263 T264 Y269 I270 I285S262-C266 PolarHBondContact O-N 2.94Å; S262-C266 PolarHBondContact O-SG 3.32Å; S262-C266 VanDerWaalsContact O-SG 3.36Å; P263-C266 PolarHBondContact O-N 3.24Å; T264-C266 PolarHBondContact O-N 2.87Å; C266-Y269 PolarHBondContact O-N 3.21Å; C266-I270 VanDerWaalsContact O-CG1 3.3Å; C266-I270 WeakPolarHBondContact O-CG1 3.29Å; C266-I270 PolarHBondContact O-N 2.83Å; C266-I285 HydrophobicContact CB-CD1 3.56Å
267M98.8Very high96.4Very high0 Ų029.5 Ų29.50%014%0.136CC..Hα-helixtrans-63.5-46.9175.1-68.6171.3-159.900111.2P263 T264 I265 Y269 I270 M271 L278 A281 F282 I285 I292 P294 L302P263-M267 HydrophobicContact CB-CE 4.14Å; P263-M267 VanDerWaalsContact O-CG 3.3Å; P263-M267 WeakPolarHBondContact O-CG 3.48Å; P263-M267 PolarHBondContact O-N 2.8Å; T264-M267 PolarHBondContact O-N 3Å; I265-M267 VanDerWaalsContact C-N 3.35Å; I265-M267 PolarHBondContact O-N 3.03Å; M267-Y269 VanDerWaalsContact C-N 3.33Å; M267-Y269 PolarHBondContact O-N 3.28Å; M267-I270 PolarHBondContact O-N 3.48Å; M267-M271 WeakPolarHBondContact O-CG 3.14Å; M267-M271 PolarHBondContact O-N 3.29Å; M267-L278 HydrophobicContact CB-CD1 4.4Å; M267-L278 HydrophobicContact SD-CD1 4.22Å; M267-A281 HydrophobicContact CB-CB 4.46Å; M267-F282 HydrophobicContact CE-CB 4.38Å; M267-F282 HydrophobicContact CE-CD2 3.45Å; M267-F282 VanDerWaalsContact CE-CD2 3.45Å; M267-F282 HydrophobicContact CE-CE2 4.07Å; M267-F282 HydrophobicContact CE-CG 4.23Å; M267-F282 HydrophobicContact SD-CB 4.37Å; M267-F282 HydrophobicContact SD-CD2 3.95Å; M267-I285 HydrophobicContact CB-CD1 4.47Å; M267-I285 HydrophobicContact CE-CD1 4.3Å; M267-I285 HydrophobicContact CG-CD1 3.58Å; M267-I292 HydrophobicContact CE-CD1 3.64Å; M267-P294 HydrophobicContact CE-CG 3.81Å; M267-P294 HydrophobicContact SD-CG 4.11Å; M267-L302 HydrophobicContact CB-CD1 4.14Å; M267-L302 HydrophobicContact CB-CD2 4.1Å; M267-L302 HydrophobicContact SD-CD1 3.79Å
268A98.6Very high96.7Very high1 Ų128.2 Ų28.21%0.00813%0.125CC..Hα-helixtrans-57.3-45.2176.100000111.7F234 T264 I265 M271 R272 L302 F305F234-A268 HydrophobicContact CB-CB 4.27Å; F234-A268 HydrophobicContact CD1-CB 3.89Å; F234-A268 HydrophobicContact CD2-CB 3.85Å; F234-A268 HydrophobicContact CE1-CB 4.13Å; F234-A268 HydrophobicContact CE2-CB 4.09Å; F234-A268 HydrophobicContact CG-CB 3.74Å; F234-A268 HydrophobicContact CZ-CB 4.22Å; T264-A268 PolarHBondContact O-N 3.14Å; I265-A268 PolarHBondContact O-N 3.26Å; A268-M271 PolarHBondContact O-N 3.33Å; A268-R272 WeakPolarHBondContact O-CB 3.35Å; A268-R272 PolarHBondContact O-N 2.58Å; A268-L302 HydrophobicContact CB-CD2 4.09Å; A268-F305 HydrophobicContact CB-CD1 4.07Å; A268-F305 HydrophobicContact CB-CE1 3.77Å
269Y98.7Very high96.5Very high0 Ų034.2 Ų34.20%016%0.157CC..Hα-helixtrans-60.9-45.7176.5-175.8-91.4000112.9L175 F177 L178 I238 I241 D242 K245 I265 C266 M267 R272 T273L175-Y269 HydrophobicContact CD1-CD1 4.2Å; L175-Y269 HydrophobicContact CD1-CE1 3.87Å; F177-Y269 AromaticContact CE2-CE1 3.71Å; F177-Y269 HydrophobicContact CE2-CE1 3.71Å; F177-Y269 AromaticContact CE2-CZ 3.74Å; F177-Y269 WeakPolarHBondContact CE2-OH 3.4Å; F177-Y269 AromaticContact CZ-CE1 3.78Å; F177-Y269 HydrophobicContact CZ-CE1 3.78Å; F177-Y269 AromaticContact CZ-CZ 3.97Å; F177-Y269 WeakPolarHBondContact CZ-OH 3.08Å; L178-Y269 HydrophobicContact CD2-CD1 3.71Å; L178-Y269 HydrophobicContact CD2-CE1 4.32Å; L178-Y269 HydrophobicContact CD2-CG 4.34Å; I238-Y269 HydrophobicContact CB-CD2 4.23Å; I238-Y269 HydrophobicContact CG1-CD2 4.03Å; I238-Y269 HydrophobicContact CG2-CD2 3.99Å; I238-Y269 HydrophobicContact CG2-CE2 4.22Å; I241-Y269 HydrophobicContact CB-CD2 3.81Å; I241-Y269 HydrophobicContact CB-CE2 3.75Å; I241-Y269 HydrophobicContact CD1-CD2 3.88Å; I241-Y269 HydrophobicContact CD1-CG 4.09Å; I241-Y269 HydrophobicContact CG1-CD2 4.47Å; I241-Y269 HydrophobicContact CG2-CD1 4.29Å; I241-Y269 HydrophobicContact CG2-CD2 3.64Å; I241-Y269 HydrophobicContact CG2-CE1 4.05Å; I241-Y269 HydrophobicContact CG2-CE2 3.36Å; I241-Y269 HydrophobicContact CG2-CG 4.12Å; D242-Y269 WeakPolarHBondContact OD1-CE2 3.33Å; D242-Y269 PolarHBondContact OD1-OH 2.83Å; K245-Y269 PolarHBondContact NZ-OH 3.17Å; I265-Y269 PolarHBondContact O-N 3.39Å; C266-Y269 PolarHBondContact O-N 3.21Å; M267-Y269 VanDerWaalsContact C-N 3.33Å; M267-Y269 PolarHBondContact O-N 3.28Å; Y269-R272 PolarHBondContact O-N 2.98Å; Y269-T273 HydrophobicContact CD2-CG2 4.24Å; Y269-T273 HydrophobicContact CE1-CG2 4.05Å; Y269-T273 HydrophobicContact CE2-CG2 3.75Å; Y269-T273 WeakPolarHBondContact O-CB 3.37Å; Y269-T273 WeakPolarHBondContact O-CG2 3.1Å; Y269-T273 PolarHBondContact O-N 3.29Å; Y269-T273 PolarHBondContact O-OG1 3.29Å
270I97.7Very high96.2Very high0 Ų037.2 Ų37.20%017%0.17CC..Hα-helixtrans-62.8-49.2178.4-68.9168.4000111I174 C266 M267 R272 T273 Q274 L276 A281 V284 I285I174-I270 HydrophobicContact CG2-CD1 3.77Å; C266-I270 VanDerWaalsContact O-CG1 3.3Å; C266-I270 WeakPolarHBondContact O-CG1 3.29Å; C266-I270 PolarHBondContact O-N 2.83Å; M267-I270 PolarHBondContact O-N 3.48Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.37Å; I270-T273 PolarHBondContact O-N 3.18Å; I270-Q274 HydrophobicContact CG2-CB 4.46Å; I270-Q274 WeakPolarHBondContact O-CB 3.35Å; I270-Q274 PolarHBondContact O-N 3Å; I270-L276 HydrophobicContact CG2-CB 4.27Å; I270-L276 HydrophobicContact CG2-CD1 3.77Å; I270-L276 HydrophobicContact CG2-CG 4.37Å; I270-A281 HydrophobicContact CB-CB 4.06Å; I270-A281 HydrophobicContact CG2-CB 3.74Å; I270-V284 HydrophobicContact CD1-CG1 4.01Å; I270-I285 HydrophobicContact CD1-CD1 3.9Å; I270-I285 HydrophobicContact CD1-CG1 3.82Å
271M97.7Very high96.1Very high0 Ų037 Ų370%017%0.169CC..Hα-helixtrans-59.7-43.7179.2-67-172.1-71.300111.7M267 A268 K275 L276 L278 A281 L302 F305 E306 V309M267-M271 WeakPolarHBondContact O-CG 3.14Å; M267-M271 PolarHBondContact O-N 3.29Å; A268-M271 PolarHBondContact O-N 3.33Å; M271-K275 WeakPolarHBondContact O-CA 3.25Å; M271-K275 PolarHBondContact O-N 3.04Å; M271-L276 WeakPolarHBondContact CA-O 3.27Å; M271-L276 WeakPolarHBondContact CG-O 3.43Å; M271-L278 HydrophobicContact CE-CD1 4.06Å; M271-L278 WeakPolarHBondContact SD-CA 3.49Å; M271-L278 HydrophobicContact SD-CB 3.67Å; M271-L278 HydrophobicContact SD-CD1 4.03Å; M271-L278 HydrophobicContact SD-CG 4.42Å; M271-A281 HydrophobicContact CG-CB 3.83Å; M271-L302 HydrophobicContact CE-CB 4.26Å; M271-L302 HydrophobicContact CE-CD2 3.63Å; M271-F305 HydrophobicContact CE-CD1 3.99Å; M271-E306 HydrophobicContact SD-CB 3.92Å; M271-E306 HydrophobicContact SD-CG 4.33Å; M271-V309 HydrophobicContact CB-CG2 4.04Å
272R96.3Very high95.9Very high93 Ų9338.2 Ų38.235%0.35118%0.175SC..Hα-helixtrans-61.4-47.1179.6-179.663.5152.1147.7-3.6112.6Q235 I238 A268 Y269 I270 K275 F305 V309Q235-R272 VanDerWaalsContact OE1-NH2 3.14Å; I238-R272 HydrophobicContact CD1-CB 3.92Å; I238-R272 HydrophobicContact CD1-CG 4.06Å; I238-R272 HydrophobicContact CG2-CG 4.19Å; A268-R272 WeakPolarHBondContact O-CB 3.35Å; A268-R272 PolarHBondContact O-N 2.58Å; Y269-R272 PolarHBondContact O-N 2.98Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.37Å; R272-K275 PolarHBondContact O-NZ 3.03Å; R272-F305 HydrophobicContact CB-CE1 4.45Å; R272-F305 HydrophobicContact CB-CZ 4.42Å; R272-V309 HydrophobicContact CB-CG1 4.41Å
273T94.5Very high95.5Very high50 Ų5042.7 Ų42.731%0.30720%0.195SC..Hα-helixtrans-94.6-32-167.759.60000114.4Y269 I270Y269-T273 HydrophobicContact CD2-CG2 4.24Å; Y269-T273 HydrophobicContact CE1-CG2 4.05Å; Y269-T273 HydrophobicContact CE2-CG2 3.75Å; Y269-T273 WeakPolarHBondContact O-CB 3.37Å; Y269-T273 WeakPolarHBondContact O-CG2 3.1Å; Y269-T273 PolarHBondContact O-N 3.29Å; Y269-T273 PolarHBondContact O-OG1 3.29Å; I270-T273 PolarHBondContact O-N 3.18Å
274Q92.2Very high95.2Very high86 Ų8644.2 Ų44.240%0.40221%0.205SC..Hα-helixtrans-103.7-3.9-179.4-58-172.4-7.500113.5I270 L276I270-Q274 HydrophobicContact CG2-CB 4.46Å; I270-Q274 WeakPolarHBondContact O-CB 3.35Å; I270-Q274 PolarHBondContact O-N 3Å; Q274-L276 HydrophobicContact CB-CD1 4.39Å; Q274-L276 HydrophobicContact CB-CG 4Å; Q274-L276 PolarHBondContact O-N 2.87Å; Q274-L276 VanDerWaalsContact O-N 3.17Å
275K91.5Very high95Very high99 Ų9944.2 Ų44.243%0.4321%0.205SC..  trans57.823.9-177.7-55.6-52.9-169.2-174.80114.5M271 R272 V309 L310M271-K275 WeakPolarHBondContact O-CA 3.25Å; M271-K275 PolarHBondContact O-N 3.04Å; R272-K275 PolarHBondContact O-NZ 3.03Å; K275-V309 PolarHBondContact NZ-O 3.47Å; K275-L310 HydrophobicContact CB-CD2 4.23Å; K275-L310 HydrophobicContact CD-CD2 4.33Å; K275-L310 WeakPolarHBondContact O-CD2 3.35Å
276L91.4Very high94.6Very high43 Ų4347.2 Ų47.223%0.22522%0.218CC..  trans-74.1151.8171.6-64.3-173.9000110.9I270 M271 Q274 E280 V284I270-L276 HydrophobicContact CG2-CB 4.27Å; I270-L276 HydrophobicContact CG2-CD1 3.77Å; I270-L276 HydrophobicContact CG2-CG 4.37Å; M271-L276 WeakPolarHBondContact CA-O 3.27Å; M271-L276 WeakPolarHBondContact CG-O 3.43Å; Q274-L276 HydrophobicContact CB-CD1 4.39Å; Q274-L276 HydrophobicContact CB-CG 4Å; Q274-L276 PolarHBondContact O-N 2.87Å; Q274-L276 VanDerWaalsContact O-N 3.17Å; L276-E280 HydrophobicContact CB-CB 4.09Å; L276-E280 HydrophobicContact CD1-CB 4.42Å; L276-E280 HydrophobicContact CD2-CB 4.49Å; L276-V284 HydrophobicContact CD1-CG2 4.36Å
277R94.8Very high94.1Very high164 Ų16454.3 Ų54.362%0.61925%0.251SS*.  trans-72.6162.1168.6-70.3-174-179.1-177.31.1111.4N279 E280 A281 E306 L310R277-N279 VanDerWaalsContact C-N 3.32Å; R277-N279 PolarHBondContact O-N 3.01Å; R277-E280 HydrophobicContact CB-CG 4.3Å; R277-E280 WeakPolarHBondContact CB-OE2 3.48Å; R277-E280 PolarHBondContact N-OE2 2.93Å; R277-E280 WeakPolarHBondContact O-CB 3.27Å; R277-E280 PolarHBondContact O-N 3.29Å; R277-E280 VanDerWaalsContact O-N 3.07Å; R277-A281 PolarHBondContact O-N 3.18Å; R277-E306 WeakPolarHBondContact CA-OE1 3.35Å; R277-E306 WeakPolarHBondContact CB-OE1 3.34Å; R277-E306 WeakPolarHBondContact CG-OE1 3.19Å; R277-L310 HydrophobicContact CG-CD1 3.96Å
278L97.3Very high93.7Very high2 Ų259.8 Ų59.81%0.0127%0.271CS..Hα-helixtrans-58.5-43.3-179.5176.654000112.3M267 M271 E280 A281 F282 M299 L302 L303 E306M267-L278 HydrophobicContact CB-CD1 4.4Å; M267-L278 HydrophobicContact SD-CD1 4.22Å; M271-L278 HydrophobicContact CE-CD1 4.06Å; M271-L278 WeakPolarHBondContact SD-CA 3.49Å; M271-L278 HydrophobicContact SD-CB 3.67Å; M271-L278 HydrophobicContact SD-CD1 4.03Å; M271-L278 HydrophobicContact SD-CG 4.42Å; L278-E280 VanDerWaalsContact C-N 3.28Å; L278-E280 PolarHBondContact O-N 2.84Å; L278-A281 PolarHBondContact O-N 2.96Å; L278-F282 VanDerWaalsContact O-CB 3.24Å; L278-F282 WeakPolarHBondContact O-CB 3.3Å; L278-F282 PolarHBondContact O-N 3.07Å; L278-M299 HydrophobicContact CD1-SD 4.38Å; L278-M299 HydrophobicContact CD2-SD 3.7Å; L278-M299 HydrophobicContact CG-SD 4.2Å; L278-L302 HydrophobicContact CD1-CB 3.73Å; L278-L302 HydrophobicContact CD1-CD1 3.82Å; L278-L302 HydrophobicContact CD1-CG 4.26Å; L278-L302 HydrophobicContact CD2-CB 3.66Å; L278-L302 HydrophobicContact CG-CB 4.34Å; L278-L303 HydrophobicContact CD2-CB 4.41Å; L278-L303 HydrophobicContact CD2-CD2 3.66Å; L278-L303 HydrophobicContact CD2-CG 3.61Å; L278-E306 PolarHBondContact N-OE1 2.86Å
279N91.3Very high93.4Very high126 Ų12660.2 Ų60.267%0.67427%0.273SS*.Hα-helixtrans-61.6-38177.3-68.5-27000111.8R277 E283R277-N279 VanDerWaalsContact C-N 3.32Å; R277-N279 PolarHBondContact O-N 3.01Å; N279-E283 WeakPolarHBondContact O-CG 3.29Å; N279-E283 PolarHBondContact O-N 2.88Å
280E89.1Confident93Very high97 Ų9764.5 Ų64.545%0.45330%0.303SS..Hα-helixtrans-71.7-46.4179.4-61171.9132.900110.7L276 R277 L278 F282 E283 V284L276-E280 HydrophobicContact CB-CB 4.09Å; L276-E280 HydrophobicContact CD1-CB 4.42Å; L276-E280 HydrophobicContact CD2-CB 4.49Å; R277-E280 HydrophobicContact CB-CG 4.3Å; R277-E280 WeakPolarHBondContact CB-OE2 3.48Å; R277-E280 PolarHBondContact N-OE2 2.93Å; R277-E280 WeakPolarHBondContact O-CB 3.27Å; R277-E280 PolarHBondContact O-N 3.29Å; R277-E280 VanDerWaalsContact O-N 3.07Å; L278-E280 VanDerWaalsContact C-N 3.28Å; L278-E280 PolarHBondContact O-N 2.84Å; E280-F282 VanDerWaalsContact C-N 3.28Å; E280-F282 PolarHBondContact O-N 2.88Å; E280-E283 PolarHBondContact O-N 3.37Å; E280-V284 VanDerWaalsContact O-CG2 3.32Å; E280-V284 WeakPolarHBondContact O-CG2 3.43Å; E280-V284 PolarHBondContact O-N 2.84Å
281A96.1Very high92.6Very high0 Ų065.6 Ų65.60%031%0.309CS..Hα-helixtrans-61.2-35.7174.400000112.4M267 I270 M271 R277 L278 I285M267-A281 HydrophobicContact CB-CB 4.46Å; I270-A281 HydrophobicContact CB-CB 4.06Å; I270-A281 HydrophobicContact CG2-CB 3.74Å; M271-A281 HydrophobicContact CG-CB 3.83Å; R277-A281 PolarHBondContact O-N 3.18Å; L278-A281 PolarHBondContact O-N 2.96Å; A281-I285 WeakPolarHBondContact O-CG1 3.3Å; A281-I285 PolarHBondContact O-N 2.94Å
282F94.9Very high92.4Very high41 Ų4165.6 Ų65.618%0.1831%0.31CS..Hα-helixtrans-63.4-51.9173.6-178.2-86.9000111.1M267 L278 E280 V284 I285 K286 I292 M299M267-F282 HydrophobicContact CE-CB 4.38Å; M267-F282 HydrophobicContact CE-CD2 3.45Å; M267-F282 VanDerWaalsContact CE-CD2 3.45Å; M267-F282 HydrophobicContact CE-CE2 4.07Å; M267-F282 HydrophobicContact CE-CG 4.23Å; M267-F282 HydrophobicContact SD-CB 4.37Å; M267-F282 HydrophobicContact SD-CD2 3.95Å; L278-F282 VanDerWaalsContact O-CB 3.24Å; L278-F282 WeakPolarHBondContact O-CB 3.3Å; L278-F282 PolarHBondContact O-N 3.07Å; E280-F282 VanDerWaalsContact C-N 3.28Å; E280-F282 PolarHBondContact O-N 2.88Å; F282-V284 PolarHBondContact O-N 2.86Å; F282-I285 PolarHBondContact O-N 3.47Å; F282-K286 HydrophobicContact CD1-CB 4.22Å; F282-K286 HydrophobicContact CE1-CB 4.04Å; F282-K286 HydrophobicContact CE1-CD 3.95Å; F282-K286 HydrophobicContact CE1-CG 3.92Å; F282-K286 HydrophobicContact CZ-CD 4.03Å; F282-K286 VanDerWaalsContact O-CB 3.28Å; F282-K286 WeakPolarHBondContact O-CB 3.43Å; F282-K286 PolarHBondContact O-N 2.75Å; F282-I292 HydrophobicContact CE2-CD1 4.38Å; F282-I292 HydrophobicContact CE2-CG1 4.41Å; F282-I292 HydrophobicContact CZ-CG1 4.46Å; F282-M299 HydrophobicContact CD2-CE 4Å; F282-M299 HydrophobicContact CE2-CE 4.16Å
283E90.1Very high92.4Very high93 Ų9364.9 Ų64.944%0.43532%0.319SS..Hα-helixtrans-62.7-40.4-179.3-72.5-55.1133.800112.8N279 E280 I285 K286 Q287N279-E283 WeakPolarHBondContact O-CG 3.29Å; N279-E283 PolarHBondContact O-N 2.88Å; E280-E283 PolarHBondContact O-N 3.37Å; E283-I285 PolarHBondContact O-N 3.26Å; E283-K286 PolarHBondContact O-N 3.46Å; E283-K286 VanDerWaalsContact O-N 3.14Å; E283-Q287 VanDerWaalsContact O-CG 3.27Å; E283-Q287 WeakPolarHBondContact O-CG 3.18Å; E283-Q287 PolarHBondContact O-N 3.31Å
284V91Very high92.5Very high33 Ų3363 Ų6320%0.231%0.308CS..Hα-helixtrans-53.1-42.1175.41650000112I270 L276 E280 F282 R288I270-V284 HydrophobicContact CD1-CG1 4.01Å; L276-V284 HydrophobicContact CD1-CG2 4.36Å; E280-V284 VanDerWaalsContact O-CG2 3.32Å; E280-V284 WeakPolarHBondContact O-CG2 3.43Å; E280-V284 PolarHBondContact O-N 2.84Å; F282-V284 PolarHBondContact O-N 2.86Å; V284-R288 WeakPolarHBondContact O-CD 3.3Å; V284-R288 PolarHBondContact O-NH1 3.29Å
285I96.1Very high92.6Very high0 Ų060.2 Ų60.20%030%0.295CS..Hα-helixtrans-82.9-37.7178.6-55.3170.4000110.5I174 L180 C266 M267 I270 A281 F282 E283 Q287 R288 R289 I292I174-I285 HydrophobicContact CD1-CB 4.45Å; I174-I285 HydrophobicContact CD1-CG1 4.36Å; I174-I285 HydrophobicContact CD1-CG2 3.89Å; I174-I285 HydrophobicContact CG2-CG1 3.97Å; L180-I285 HydrophobicContact CD2-CG2 3.44Å; L180-I285 VanDerWaalsContact CD2-CG2 3.44Å; C266-I285 HydrophobicContact CB-CD1 3.56Å; M267-I285 HydrophobicContact CB-CD1 4.47Å; M267-I285 HydrophobicContact CE-CD1 4.3Å; M267-I285 HydrophobicContact CG-CD1 3.58Å; I270-I285 HydrophobicContact CD1-CD1 3.9Å; I270-I285 HydrophobicContact CD1-CG1 3.82Å; A281-I285 WeakPolarHBondContact O-CG1 3.3Å; A281-I285 PolarHBondContact O-N 2.94Å; F282-I285 PolarHBondContact O-N 3.47Å; E283-I285 PolarHBondContact O-N 3.26Å; I285-Q287 VanDerWaalsContact C-N 3.31Å; I285-Q287 PolarHBondContact O-N 3.14Å; I285-R288 PolarHBondContact O-N 3.37Å; I285-R289 PolarHBondContact O-N 3.27Å; I285-I292 HydrophobicContact CB-CD1 3.67Å; I285-I292 HydrophobicContact CG2-CD1 3.56Å; I285-I292 HydrophobicContact CG2-CG2 4.05Å
286K90.6Very high92.5Very high64 Ų6462 Ų6228%0.27830%0.304SS..Hα-helixtrans-60.8-39.2-178-169.563.9164.4178.30112.2F282 E283 R288 R289 S290 I292F282-K286 HydrophobicContact CD1-CB 4.22Å; F282-K286 HydrophobicContact CE1-CB 4.04Å; F282-K286 HydrophobicContact CE1-CD 3.95Å; F282-K286 HydrophobicContact CE1-CG 3.92Å; F282-K286 HydrophobicContact CZ-CD 4.03Å; F282-K286 VanDerWaalsContact O-CB 3.28Å; F282-K286 WeakPolarHBondContact O-CB 3.43Å; F282-K286 PolarHBondContact O-N 2.75Å; E283-K286 PolarHBondContact O-N 3.46Å; E283-K286 VanDerWaalsContact O-N 3.14Å; K286-R288 PolarHBondContact O-N 3Å; K286-R289 CarbonylContact O-C 3.46Å; K286-S290 VanDerWaalsContact CE-O 3.31Å; K286-S290 WeakPolarHBondContact CE-O 3.49Å; K286-S290 PolarHBondContact NZ-O 2.91Å; K286-S290 VanDerWaalsContact O-CA 3.3Å; K286-S290 WeakPolarHBondContact O-CA 3.31Å; K286-S290 PolarHBondContact O-N 3.04Å; K286-I292 HydrophobicContact CB-CD1 4.01Å; K286-I292 HydrophobicContact CB-CG1 4.35Å; K286-I292 HydrophobicContact CD-CD1 4.18Å; K286-I292 HydrophobicContact CD-CG1 3.58Å; K286-I292 PolarHBondContact NZ-O 2.95Å
287Q88.1Confident92.8Very high149 Ų14961.2 Ų61.270%0.69630%0.301SS*.THydrogen-bonded Turntrans-62.7-29.7174.8-70.6170.112.100113E283 I285E283-Q287 VanDerWaalsContact O-CG 3.27Å; E283-Q287 WeakPolarHBondContact O-CG 3.18Å; E283-Q287 PolarHBondContact O-N 3.31Å; I285-Q287 VanDerWaalsContact C-N 3.31Å; I285-Q287 PolarHBondContact O-N 3.14Å
288R89.8Confident92.9Very high114 Ų11453.4 Ų53.443%0.4327%0.272SS..THydrogen-bonded Turntrans-92-35-178.9-67.1164.8164.875.11.9112.9V172 E173 I174 V284 I285 K286V172-R288 HydrophobicContact CG2-CB 4.43Å; E173-R288 WeakPolarHBondContact O-CD 3.3Å; E173-R288 PolarHBondContact O-NE 3.21Å; I174-R288 HydrophobicContact CD1-CB 4.15Å; I174-R288 PolarHBondContact O-NE 3.33Å; V284-R288 WeakPolarHBondContact O-CD 3.3Å; V284-R288 PolarHBondContact O-NH1 3.29Å; I285-R288 PolarHBondContact O-N 3.37Å; K286-R288 PolarHBondContact O-N 3Å
289R92.6Very high93Very high10 Ų1055.3 Ų55.34%0.03828%0.281CS..  trans-135.989176.8-173.5168.5179.783.8-5.6109.5Y166 D167 V172 L180 A257 G258 I285 K286 V291 I292Y166-R289 PolarHBondContact O-NH1 2.9Å; D167-R289 IonicContact OD1-CZ 2.82Å; D167-R289 IonicContact OD1-NH1 3.07Å; D167-R289 PolarHBondContact OD1-NH1 3.49Å; D167-R289 IonicContact OD1-NH2 3.51Å; D167-R289 PolarHBondContact OD1-NH2 3.11Å; V172-R289 HydrophobicContact CG2-CB 4Å; L180-R289 HydrophobicContact CD2-CB 4.44Å; A257-R289 PolarHBondContact O-NH2 3.02Å; G258-R289 PolarHBondContact O-NE 3.07Å; I285-R289 PolarHBondContact O-N 3.27Å; K286-R289 CarbonylContact O-C 3.46Å; R289-V291 HydrophobicContact CG-CG2 3.71Å; R289-V291 PolarHBondContact O-N 3.02Å; R289-I292 HydrophobicContact CB-CG2 4.05Å; R289-I292 HydrophobicContact CG-CG2 3.99Å; R289-I292 WeakPolarHBondContact O-CG2 3.24Å; R289-I292 PolarHBondContact O-N 3Å; R289-I292 VanDerWaalsContact O-N 3.11Å
290S89.7Confident93.2Very high91 Ų9151 Ų5164%0.63627%0.266SS*.THydrogen-bonded Turntrans-58.1-21.8-175.9600000114.5K286 I292K286-S290 VanDerWaalsContact CE-O 3.31Å; K286-S290 WeakPolarHBondContact CE-O 3.49Å; K286-S290 PolarHBondContact NZ-O 2.91Å; K286-S290 VanDerWaalsContact O-CA 3.3Å; K286-S290 WeakPolarHBondContact O-CA 3.31Å; K286-S290 PolarHBondContact O-N 3.04Å; S290-I292 PolarHBondContact O-N 3.12Å
291V89.4Confident93.7Very high22 Ų2247.7 Ų47.713%0.13325%0.251CS..THydrogen-bonded Turntrans-79-6.5178.4-62.40000115.4Y166 I259 R289 S293Y166-V291 HydrophobicContact CD1-CG1 4.02Å; Y166-V291 HydrophobicContact CD2-CG2 4.19Å; Y166-V291 HydrophobicContact CG-CB 4.39Å; Y166-V291 HydrophobicContact CG-CG1 3.98Å; Y166-V291 HydrophobicContact CG-CG2 3.94Å; I259-V291 HydrophobicContact CG1-CB 4.46Å; I259-V291 HydrophobicContact CG1-CG2 4.18Å; R289-V291 HydrophobicContact CG-CG2 3.71Å; R289-V291 PolarHBondContact O-N 3.02Å; V291-S293 PolarHBondContact O-N 2.7Å
292I94.9Very high93.8Very high1 Ų147.7 Ų47.71%0.00525%0.251CS..  trans-60.2137179.969.3178.3000111.6L180 I259 P263 M267 F282 I285 K286 R289 S290L180-I292 HydrophobicContact CD2-CG2 4.15Å; I259-I292 WeakPolarHBondContact O-CA 3.19Å; P263-I292 HydrophobicContact CB-CB 4.07Å; P263-I292 HydrophobicContact CB-CG2 3.8Å; P263-I292 HydrophobicContact CG-CB 4.06Å; P263-I292 HydrophobicContact CG-CG2 3.5Å; P263-I292 VanDerWaalsContact CG-CG2 3.5Å; M267-I292 HydrophobicContact CE-CD1 3.64Å; F282-I292 HydrophobicContact CE2-CD1 4.38Å; F282-I292 HydrophobicContact CE2-CG1 4.41Å; F282-I292 HydrophobicContact CZ-CG1 4.46Å; I285-I292 HydrophobicContact CB-CD1 3.67Å; I285-I292 HydrophobicContact CG2-CD1 3.56Å; I285-I292 HydrophobicContact CG2-CG2 4.05Å; K286-I292 HydrophobicContact CB-CD1 4.01Å; K286-I292 HydrophobicContact CB-CG1 4.35Å; K286-I292 HydrophobicContact CD-CD1 4.18Å; K286-I292 HydrophobicContact CD-CG1 3.58Å; K286-I292 PolarHBondContact NZ-O 2.95Å; R289-I292 HydrophobicContact CB-CG2 4.05Å; R289-I292 HydrophobicContact CG-CG2 3.99Å; R289-I292 WeakPolarHBondContact O-CG2 3.24Å; R289-I292 PolarHBondContact O-N 3Å; R289-I292 VanDerWaalsContact O-N 3.11Å; S290-I292 PolarHBondContact O-N 3.12Å
293S94.8Very high93.9Very high77 Ų7749.9 Ų49.954%0.53826%0.264SS..  trans-161.379.1179.3-173.50000108.3I259 V291I259-S293 CarbonylContact O-C 3.59Å; I259-S293 PolarHBondContact O-N 2.99Å; V291-S293 PolarHBondContact O-N 2.7Å
294P96.9Very high94.2Very high12 Ų1251.1 Ų51.18%0.07827%0.27CS..  trans-48.6141.1167.4-26.135.9000111.1M267 F298 M299M267-P294 HydrophobicContact CE-CG 3.81Å; M267-P294 HydrophobicContact SD-CG 4.11Å; P294-F298 HydrophobicContact CB-CB 4.42Å; P294-M299 HydrophobicContact CB-CE 4.03Å; P294-M299 HydrophobicContact CG-CE 3.99Å
295N94.4Very high94.5Very high26 Ų2650.4 Ų50.414%0.13926%0.264CS..  trans-63.9161.1173.680.451.6000110.5D224 S260 S297 F298 M299D224-N295 PolarHBondContact OD1-ND2 3.44Å; S260-N295 PolarHBondContact OG-N 3.25Å; N295-S297 VanDerWaalsContact C-N 3.33Å; N295-S297 PolarHBondContact O-N 3.31Å; N295-S297 PolarHBondContact OD1-N 2.93Å; N295-S297 PolarHBondContact OD1-OG 3.16Å; N295-F298 WeakPolarHBondContact ND2-CD2 3.45Å; N295-F298 WeakPolarHBondContact ND2-CE2 3.14Å; N295-F298 WeakPolarHBondContact ND2-CG 3.36Å; N295-F298 WeakPolarHBondContact ND2-CZ 3.34Å; N295-F298 PolarHBondContact O-N 2.98Å; N295-F298 PolarHBondContact OD1-N 3.45Å; N295-F298 VanDerWaalsContact OD1-N 3.09Å; N295-M299 PolarHBondContact O-N 3.48Å
296F90.4Very high94.5Very high138 Ų13851.9 Ų51.961%0.60527%0.271SS*.Hα-helixtrans-66.8-28.9-170.4-175.2-100.2000114.1L49 G300L49-F296 HydrophobicContact CD1-CE2 4.07Å; L49-F296 HydrophobicContact CD2-CE2 3.86Å; L49-F296 HydrophobicContact CD2-CZ 4.1Å; L49-F296 HydrophobicContact CG-CE2 4.12Å; F296-G300 PolarHBondContact O-N 3.05Å; F296-G300 VanDerWaalsContact O-N 3.16Å
297S96.3Very high94.6Very high25 Ų2552.2 Ų52.218%0.17528%0.281CS..Hα-helixtrans-73.1-38.8176.269.20000111.1P226 N295 M299 G300 Q301P226-S297 VanDerWaalsContact CA-OG 3.32Å; P226-S297 WeakPolarHBondContact CA-OG 3.26Å; P226-S297 WeakPolarHBondContact O-CB 3.11Å; P226-S297 PolarHBondContact O-OG 2.89Å; P226-S297 VanDerWaalsContact O-OG 3.07Å; N295-S297 VanDerWaalsContact C-N 3.33Å; N295-S297 PolarHBondContact O-N 3.31Å; N295-S297 PolarHBondContact OD1-N 2.93Å; N295-S297 PolarHBondContact OD1-OG 3.16Å; S297-M299 VanDerWaalsContact C-N 3.32Å; S297-M299 PolarHBondContact O-N 3.43Å; S297-G300 CarbonylContact O-C 3.56Å; S297-G300 WeakPolarHBondContact O-CA 3.24Å; S297-G300 PolarHBondContact O-N 3.32Å; S297-Q301 WeakPolarHBondContact O-CG 3.47Å; S297-Q301 PolarHBondContact O-N 3.34Å
298F98.4Very high94.8Very high0 Ų049.2 Ų49.20%027%0.267CS..Hα-helixtrans-63-38.1173.8-65.5-8.1000112.1V222 E223 A228 I230 S260 R261 T264 P294 N295 G300 Q301 L302V222-F298 HydrophobicContact CG1-CZ 3.97Å; E223-F298 WeakPolarHBondContact O-CZ 3.34Å; A228-F298 HydrophobicContact CB-CE1 4Å; A228-F298 HydrophobicContact CB-CZ 4.22Å; I230-F298 HydrophobicContact CB-CD1 4.13Å; I230-F298 HydrophobicContact CB-CE1 3.83Å; I230-F298 HydrophobicContact CB-CZ 4.15Å; I230-F298 HydrophobicContact CD1-CD2 4.49Å; I230-F298 HydrophobicContact CD1-CE2 4.2Å; I230-F298 HydrophobicContact CD1-CZ 4.31Å; I230-F298 HydrophobicContact CG2-CB 4.25Å; I230-F298 HydrophobicContact CG2-CD1 3.31Å; I230-F298 HydrophobicContact CG2-CD2 4.22Å; I230-F298 HydrophobicContact CG2-CE1 3.55Å; I230-F298 HydrophobicContact CG2-CE2 4.44Å; I230-F298 HydrophobicContact CG2-CG 3.67Å; I230-F298 HydrophobicContact CG2-CZ 4.12Å; S260-F298 WeakPolarHBondContact OG-CD2 3.45Å; R261-F298 HydrophobicContact CG-CE2 3.53Å; R261-F298 HydrophobicContact CG-CZ 4.09Å; T264-F298 HydrophobicContact CG2-CB 4.06Å; T264-F298 HydrophobicContact CG2-CG 4.44Å; P294-F298 HydrophobicContact CB-CB 4.42Å; N295-F298 WeakPolarHBondContact ND2-CD2 3.45Å; N295-F298 WeakPolarHBondContact ND2-CE2 3.14Å; N295-F298 WeakPolarHBondContact ND2-CG 3.36Å; N295-F298 WeakPolarHBondContact ND2-CZ 3.34Å; N295-F298 PolarHBondContact O-N 2.98Å; N295-F298 PolarHBondContact OD1-N 3.45Å; N295-F298 VanDerWaalsContact OD1-N 3.09Å; F298-G300 VanDerWaalsContact C-N 3.29Å; F298-G300 PolarHBondContact O-N 3.36Å; F298-Q301 PolarHBondContact O-N 3Å; F298-L302 WeakPolarHBondContact O-CB 3.36Å; F298-L302 VanDerWaalsContact O-CG 3.3Å; F298-L302 WeakPolarHBondContact O-CG 3.4Å; F298-L302 PolarHBondContact O-N 3.26Å
299M98Very high94.9Very high42 Ų4244 Ų4421%0.20725%0.248CC..Hα-helixtrans-62.1-37.4171.9-168.359.258.200111.9L278 F282 P294 N295 S297 L303L278-M299 HydrophobicContact CD1-SD 4.38Å; L278-M299 HydrophobicContact CD2-SD 3.7Å; L278-M299 HydrophobicContact CG-SD 4.2Å; F282-M299 HydrophobicContact CD2-CE 4Å; F282-M299 HydrophobicContact CE2-CE 4.16Å; P294-M299 HydrophobicContact CB-CE 4.03Å; P294-M299 HydrophobicContact CG-CE 3.99Å; N295-M299 PolarHBondContact O-N 3.48Å; S297-M299 VanDerWaalsContact C-N 3.32Å; S297-M299 PolarHBondContact O-N 3.43Å; M299-L303 WeakPolarHBondContact O-CG 3.28Å; M299-L303 PolarHBondContact O-N 2.86Å; M299-L303 VanDerWaalsContact O-N 3.14Å
300G96.3Very high94.7Very high35 Ų3546.1 Ų46.136%0.36126%0.26SS..Hα-helixtrans-65.8-43172.300000113.6F296 S297 F298 L302 L303 Q304F296-G300 PolarHBondContact O-N 3.05Å; F296-G300 VanDerWaalsContact O-N 3.16Å; S297-G300 CarbonylContact O-C 3.56Å; S297-G300 WeakPolarHBondContact O-CA 3.24Å; S297-G300 PolarHBondContact O-N 3.32Å; F298-G300 VanDerWaalsContact C-N 3.29Å; F298-G300 PolarHBondContact O-N 3.36Å; G300-L302 VanDerWaalsContact C-N 3.34Å; G300-L303 PolarHBondContact O-N 2.94Å; G300-Q304 PolarHBondContact O-N 3.25Å; G300-Q304 VanDerWaalsContact O-N 3.11Å
301Q98.3Very high94Very high29 Ų2946.3 Ų46.314%0.13626%0.261CS..Hα-helixtrans-64.9-37.1176.3-71.9169.633.800111.9A228 I230 S231 S297 F298 Q304 F305A228-Q301 PolarHBondContact O-NE2 3.4Å; I230-Q301 VanDerWaalsContact CG2-OE1 3.27Å; S231-Q301 VanDerWaalsContact N-OE1 3.14Å; S231-Q301 WeakPolarHBondContact OG-CG 3.43Å; S231-Q301 PolarHBondContact OG-OE1 3.46Å; S231-Q301 VanDerWaalsContact OG-OE1 3.12Å; S297-Q301 WeakPolarHBondContact O-CG 3.47Å; S297-Q301 PolarHBondContact O-N 3.34Å; F298-Q301 PolarHBondContact O-N 3Å; Q301-Q304 PolarHBondContact O-N 2.74Å; Q301-F305 WeakPolarHBondContact O-CB 3.33Å; Q301-F305 PolarHBondContact O-N 2.88Å
302L98.5Very high92.5Very high0 Ų051.1 Ų51.10%029%0.286CS..Hα-helixtrans-65.6-38172.9-73.3170.2000112.8F234 T264 M267 A268 M271 L278 F298 G300 Q304 F305 E306F234-L302 HydrophobicContact CE2-CD2 3.89Å; F234-L302 HydrophobicContact CZ-CD2 3.64Å; F234-L302 HydrophobicContact CZ-CG 4.19Å; T264-L302 HydrophobicContact CG2-CD1 3.88Å; T264-L302 HydrophobicContact CG2-CD2 3.99Å; T264-L302 HydrophobicContact CG2-CG 3.91Å; M267-L302 HydrophobicContact CB-CD1 4.14Å; M267-L302 HydrophobicContact CB-CD2 4.1Å; M267-L302 HydrophobicContact SD-CD1 3.79Å; A268-L302 HydrophobicContact CB-CD2 4.09Å; M271-L302 HydrophobicContact CE-CB 4.26Å; M271-L302 HydrophobicContact CE-CD2 3.63Å; L278-L302 HydrophobicContact CD1-CB 3.73Å; L278-L302 HydrophobicContact CD1-CD1 3.82Å; L278-L302 HydrophobicContact CD1-CG 4.26Å; L278-L302 HydrophobicContact CD2-CB 3.66Å; L278-L302 HydrophobicContact CG-CB 4.34Å; F298-L302 WeakPolarHBondContact O-CB 3.36Å; F298-L302 VanDerWaalsContact O-CG 3.3Å; F298-L302 WeakPolarHBondContact O-CG 3.4Å; F298-L302 PolarHBondContact O-N 3.26Å; G300-L302 VanDerWaalsContact C-N 3.34Å; L302-Q304 VanDerWaalsContact C-N 3.35Å; L302-F305 PolarHBondContact O-N 2.68Å; L302-E306 WeakPolarHBondContact O-CB 3.26Å; L302-E306 PolarHBondContact O-N 3.32Å
303L97.1Very high90.3Very high86 Ų8653.7 Ų53.745%0.4531%0.307SS..Hα-helixtrans-65.7-36.6174.8-75.6167.4000112.4L278 M299 G300 S307L278-L303 HydrophobicContact CD2-CB 4.41Å; L278-L303 HydrophobicContact CD2-CD2 3.66Å; L278-L303 HydrophobicContact CD2-CG 3.61Å; M299-L303 WeakPolarHBondContact O-CG 3.28Å; M299-L303 PolarHBondContact O-N 2.86Å; M299-L303 VanDerWaalsContact O-N 3.14Å; G300-L303 PolarHBondContact O-N 2.94Å; L303-S307 PolarHBondContact O-N 2.76Å; L303-S307 PolarHBondContact O-OG 3.31Å
304Q96.4Very high87.7Confident120 Ų12055.7 Ų55.756%0.56132%0.319SS*.Hα-helixtrans-64.9-50.1172.2-174.1-176-38.200110.4G300 Q301 L302 E306 S307 E308G300-Q304 PolarHBondContact O-N 3.25Å; G300-Q304 VanDerWaalsContact O-N 3.11Å; Q301-Q304 PolarHBondContact O-N 2.74Å; L302-Q304 VanDerWaalsContact C-N 3.35Å; Q304-E306 VanDerWaalsContact C-N 3.33Å; Q304-E306 PolarHBondContact O-N 3.15Å; Q304-S307 VanDerWaalsContact O-CB 3.28Å; Q304-S307 WeakPolarHBondContact O-CB 3.48Å; Q304-S307 PolarHBondContact O-N 3.16Å; Q304-E308 WeakPolarHBondContact CG-OE1 2.93Å; Q304-E308 PolarHBondContact NE2-OE1 3.31Å; Q304-E308 PolarHBondContact O-N 3.02Å
305F97.4Very high85.1Confident17 Ų1759.8 Ų59.88%0.07535%0.354CS..Hα-helixtrans-63-35.1-180-176.1-110.9000113.5F234 I238 A268 M271 R272 Q301 L302 S307 E308 V309F234-F305 HydrophobicContact CB-CE2 4.13Å; F234-F305 HydrophobicContact CB-CZ 4.15Å; F234-F305 HydrophobicContact CD2-CB 3.89Å; F234-F305 AromaticContact CD2-CD1 3.73Å; F234-F305 HydrophobicContact CD2-CD1 3.73Å; F234-F305 AromaticContact CD2-CD2 3.71Å; F234-F305 HydrophobicContact CD2-CD2 3.71Å; F234-F305 HydrophobicContact CD2-CE1 4.1Å; F234-F305 HydrophobicContact CD2-CE2 4.06Å; F234-F305 AromaticContact CD2-CG 3.5Å; F234-F305 HydrophobicContact CD2-CG 3.5Å; F234-F305 VanDerWaalsContact CD2-CG 3.5Å; F234-F305 HydrophobicContact CD2-CZ 4.23Å; F234-F305 HydrophobicContact CE2-CB 3.79Å; F234-F305 HydrophobicContact CE2-CD1 4.09Å; F234-F305 HydrophobicContact CE2-CD2 4.47Å; F234-F305 AromaticContact CE2-CG 3.89Å; F234-F305 HydrophobicContact CE2-CG 3.89Å; I238-F305 HydrophobicContact CD1-CE1 4.27Å; I238-F305 HydrophobicContact CD1-CZ 3.77Å; A268-F305 HydrophobicContact CB-CD1 4.07Å; A268-F305 HydrophobicContact CB-CE1 3.77Å; M271-F305 HydrophobicContact CE-CD1 3.99Å; R272-F305 HydrophobicContact CB-CE1 4.45Å; R272-F305 HydrophobicContact CB-CZ 4.42Å; Q301-F305 WeakPolarHBondContact O-CB 3.33Å; Q301-F305 PolarHBondContact O-N 2.88Å; L302-F305 PolarHBondContact O-N 2.68Å; F305-S307 VanDerWaalsContact C-N 3.26Å; F305-S307 PolarHBondContact O-N 2.69Å; F305-E308 WeakPolarHBondContact O-CB 3.38Å; F305-E308 PolarHBondContact O-N 2.9Å; F305-E308 VanDerWaalsContact O-N 3.11Å; F305-V309 HydrophobicContact CD1-CG1 3.99Å; F305-V309 HydrophobicContact CD2-CG1 4.01Å; F305-V309 HydrophobicContact CE1-CG1 3.53Å; F305-V309 HydrophobicContact CE2-CG1 3.56Å; F305-V309 HydrophobicContact CG-CG1 4.23Å; F305-V309 HydrophobicContact CZ-CG1 3.32Å; F305-V309 WeakPolarHBondContact O-CG2 3.45Å; F305-V309 PolarHBondContact O-N 3.14Å
306E97Very high82.4Confident31 Ų3167 Ų6715%0.14539%0.389CS..Hα-helixtrans-52.6-46.5170.9177.2179.8-13800111M271 R277 L278 L302 Q304 E308 V309 L310M271-E306 HydrophobicContact SD-CB 3.92Å; M271-E306 HydrophobicContact SD-CG 4.33Å; R277-E306 WeakPolarHBondContact CA-OE1 3.35Å; R277-E306 WeakPolarHBondContact CB-OE1 3.34Å; R277-E306 WeakPolarHBondContact CG-OE1 3.19Å; L278-E306 PolarHBondContact N-OE1 2.86Å; L302-E306 WeakPolarHBondContact O-CB 3.26Å; L302-E306 PolarHBondContact O-N 3.32Å; Q304-E306 VanDerWaalsContact C-N 3.33Å; Q304-E306 PolarHBondContact O-N 3.15Å; E306-E308 VanDerWaalsContact C-N 3.31Å; E306-E308 PolarHBondContact O-N 2.87Å; E306-V309 PolarHBondContact O-N 3.46Å; E306-L310 HydrophobicContact CG-CD1 3.72Å; E306-L310 HydrophobicContact CG-CG 4.35Å; E306-L310 WeakPolarHBondContact O-CB 3.36Å; E306-L310 VanDerWaalsContact O-CG 3.31Å; E306-L310 WeakPolarHBondContact O-CG 3.18Å; E306-L310 PolarHBondContact O-N 3.48Å
307S92.2Very high80Confident71 Ų7164.6 Ų64.650%0.49740%0.395SS..Hα-helixtrans-62.2-40178.7-55.60000111.3L303 Q304 F305 S311L303-S307 PolarHBondContact O-N 2.76Å; L303-S307 PolarHBondContact O-OG 3.31Å; Q304-S307 VanDerWaalsContact O-CB 3.28Å; Q304-S307 WeakPolarHBondContact O-CB 3.48Å; Q304-S307 PolarHBondContact O-N 3.16Å; F305-S307 VanDerWaalsContact C-N 3.26Å; F305-S307 PolarHBondContact O-N 2.69Å; S307-S311 WeakPolarHBondContact O-CB 3.4Å; S307-S311 PolarHBondContact O-N 3.14Å; S307-S311 VanDerWaalsContact O-N 3.11Å; S307-S311 PolarHBondContact O-OG 2.88Å
308E92.1Very high77.2Confident87 Ų8768.1 Ų68.141%0.40743%0.425SS..Hα-helixtrans-69.7-40.8178.9-63.8167.2-168.200112.7Q304 F305 E306 N312Q304-E308 WeakPolarHBondContact CG-OE1 2.93Å; Q304-E308 PolarHBondContact NE2-OE1 3.31Å; Q304-E308 PolarHBondContact O-N 3.02Å; F305-E308 WeakPolarHBondContact O-CB 3.38Å; F305-E308 PolarHBondContact O-N 2.9Å; F305-E308 VanDerWaalsContact O-N 3.11Å; E306-E308 VanDerWaalsContact C-N 3.31Å; E306-E308 PolarHBondContact O-N 2.87Å; E308-N312 PolarHBondContact O-ND2 3.33Å
309V91.4Very high74.2Confident4 Ų473.7 Ų73.72%0.02446%0.46CS..Hα-helixtrans-84.9-21.6-175.8-58.30000115M271 R272 K275 F305 E306M271-V309 HydrophobicContact CB-CG2 4.04Å; R272-V309 HydrophobicContact CB-CG1 4.41Å; K275-V309 PolarHBondContact NZ-O 3.47Å; F305-V309 HydrophobicContact CD1-CG1 3.99Å; F305-V309 HydrophobicContact CD2-CG1 4.01Å; F305-V309 HydrophobicContact CE1-CG1 3.53Å; F305-V309 HydrophobicContact CE2-CG1 3.56Å; F305-V309 HydrophobicContact CG-CG1 4.23Å; F305-V309 HydrophobicContact CZ-CG1 3.32Å; F305-V309 WeakPolarHBondContact O-CG2 3.45Å; F305-V309 PolarHBondContact O-N 3.14Å; E306-V309 PolarHBondContact O-N 3.46Å
310L87.8Confident71.4Confident54 Ų5477.7 Ų77.728%0.28349%0.489SS..Hα-helixtrans-93.4-31.9176.9-59.8-175.2000112.7K275 R277 E306 N312K275-L310 HydrophobicContact CB-CD2 4.23Å; K275-L310 HydrophobicContact CD-CD2 4.33Å; K275-L310 WeakPolarHBondContact O-CD2 3.35Å; R277-L310 HydrophobicContact CG-CD1 3.96Å; E306-L310 HydrophobicContact CG-CD1 3.72Å; E306-L310 HydrophobicContact CG-CG 4.35Å; E306-L310 WeakPolarHBondContact O-CB 3.36Å; E306-L310 VanDerWaalsContact O-CG 3.31Å; E306-L310 WeakPolarHBondContact O-CG 3.18Å; E306-L310 PolarHBondContact O-N 3.48Å; L310-N312 VanDerWaalsContact C-N 3.28Å; L310-N312 PolarHBondContact O-N 3.07Å
311S76.6Confident68.5Low96 Ų9684.3 Ų84.367%0.67151%0.51SS*.Hα-helixtrans-70.6-24174.5-55.40000113.1S307 A313S307-S311 WeakPolarHBondContact O-CB 3.4Å; S307-S311 PolarHBondContact O-N 3.14Å; S307-S311 VanDerWaalsContact O-N 3.11Å; S307-S311 PolarHBondContact O-OG 2.88Å; S311-A313 VanDerWaalsContact C-N 3.27Å; S311-A313 PolarHBondContact O-N 3.41Å
312N57.4Low65.7Low122 Ų12287.9 Ų87.965%0.65254%0.536SS*.THydrogen-bonded Turntrans-87.822.9178.7-76.7-50.9000113.8E308 L310E308-N312 PolarHBondContact O-ND2 3.33Å; L310-N312 VanDerWaalsContact C-N 3.28Å; L310-N312 PolarHBondContact O-N 3.07Å
313A48.9Very low62.8Low55 Ų5592.9 Ų92.946%0.45558%0.577SS.*SBendtrans-75.3129.5163.100000108.7S311 A315S311-A313 VanDerWaalsContact C-N 3.27Å; S311-A313 PolarHBondContact O-N 3.41Å; A313-A315 PolarHBondContact O-N 2.91Å; A313-A315 VanDerWaalsContact O-N 3.16Å
314P40.3Very low59.7Low119 Ų11995.1 Ų95.177%0.77359%0.594SS**  trans-61.1123.9173.925-31.8000108.7M316P314-M316 VanDerWaalsContact C-N 3.32Å; P314-M316 PolarHBondContact O-N 3.48Å
315A41.9Very low57Low99 Ų9995 Ų9582%0.81860%0.604SS**  trans-65.692.7175.400000109.2A313 A317A313-A315 PolarHBondContact O-N 2.91Å; A313-A315 VanDerWaalsContact O-N 3.16Å; A315-A317 PolarHBondContact O-N 3.21Å; A315-A317 VanDerWaalsContact O-N 3.14Å
316M37.1Very low53.6Low176 Ų17699.9 Ų99.987%0.86764%0.639SS**  trans-54.4119.4163.6-85.5-59-50.500107.6P314 A318P314-M316 VanDerWaalsContact C-N 3.32Å; P314-M316 PolarHBondContact O-N 3.48Å; M316-A318 PolarHBondContact O-N 2.85Å
317A40.5Very low50.5Low89 Ų89104.6 Ų104.674%0.73667%0.67SS**  trans-59.2107.5-162.200000112.6A315 T319A315-A317 PolarHBondContact O-N 3.21Å; A315-A317 VanDerWaalsContact O-N 3.14Å; A317-T319 PolarHBondContact O-N 3.21Å
318A37.4Very low47.8Very low99 Ų99107.2 Ų107.282%0.81868%0.683SS**  trans-78.5104.8159.900000108M316M316-A318 PolarHBondContact O-N 2.85Å
319T36.4Very low44.7Very low117 Ų117112.5 Ų112.572%0.71871%0.708SS**  trans-63.5138.8168.340.20000110.2A317 E321A317-T319 PolarHBondContact O-N 3.21Å; T319-E321 PolarHBondContact O-N 3.19Å
320P38.9Very low41.9Very low126 Ų126118.1 Ų118.182%0.81875%0.747SS**  trans-79.4107.2-178.431-33.1000111.2
321E35.3Very low39Very low173 Ų173120.7 Ų120.781%0.80878%0.776SS**PPolyproline II helixtrans-79.2139.1163.8-82-71.6140.300110.3T319T319-E321 PolarHBondContact O-N 3.19Å
322P39.6Very low37.1Very low105 Ų105121.3 Ų121.368%0.68278%0.78SS**PPolyproline II helixtrans-78.9145.5-171.931.5-35.2000113.4
323A38.1Very low35.5Very low104 Ų104124.5 Ų124.586%0.8679%0.789SS**PPolyproline II helixtrans-75.5135.3178.700000112.7
324T30.5Very low34.6Very low133 Ų133129.5 Ų129.582%0.81680%0.8SS**  trans-143.6141.9160.8-28.80000108.9
325P40.5Very low34.1Very low119 Ų119127.8 Ų127.877%0.77380%0.796SS**  trans-103.7166.8-163.538.6-35.2000115.1
326C26.4Very low33.5Very low119 Ų119130.2 Ų130.280%0.80480%0.795SS**  trans120150.3133.3-146.80000118.2
327V31.9Very low33.1Very low129 Ų129127.6 Ų127.678%0.78279%0.785SS**  trans76.7125.6164.8-158.70000119
328T34.3Very low32.4Very low127 Ų127133.2 Ų133.278%0.77979%0.793SS**  trans-75.6140.7167.646.10000112.6
329E27.6Very low31.8Very low198 Ų198132.4 Ų132.493%0.92578%0.781SS**  trans-154.3152.4134.7-129.4172.8-165.100112.9
330S32.3Very low31.3Very low122 Ų122131.1 Ų131.185%0.85378%0.783SS**  trans-104.6124.5-173.4-56.80000110.6
331A27.5Very low30.7Very low107 Ų107130.4 Ų130.488%0.88478%0.776SS**  trans-150.8120.3159.200000111.3
332S35.7Very low30.3Very low109 Ų109131.2 Ų131.276%0.76278%0.777SS**  trans-78.6150.1173.852.80000112.3
333F24.4Very low29.6Very low189 Ų189130.8 Ų130.883%0.82978%0.777SS**  trans-142.4108.5155.6-125.8-99.5000112.3
334F31.1Very low29Very low160 Ų160131.7 Ų131.770%0.70277%0.772SS**  trans41.1123155.1-60.8-102.5000119.8
335A29.1Very low28.8Very low83 Ų83134.5 Ų134.569%0.68677%0.773SS**  cis74.2115.244.400000114.7
336N28.7Very low28.2Very low150 Ų150135.1 Ų135.180%0.80277%0.77SS**  trans172.5150.1147.7-99.517.6000108.4
337D29.1Very low28.1Very low121 Ų121138.9 Ų138.965%0.64777%0.773SS**  cis-167.2134.3-27.6-148.8-9.4000107
338F25.6Very low27.9Very low207 Ų207140.9 Ų140.991%0.90877%0.774SS**  -168.9137.9127.3-132.4-98.4000111.9
339S24.8Very low27.5Very low82 Ų82140.8 Ų140.857%0.57378%0.775SS**  trans-119.2141.5-165.7-175.90000112.4
340A26.2Very low27.4Very low90 Ų90136.8 Ų136.874%0.74477%0.769SS**  trans-162.286.1153.800000107.5
341T26.9Very low27.2Very low112 Ų112138.4 Ų138.469%0.68777%0.765SS**  32.2131.79057.40000114.1
342F25.5Very low27.2Very low189 Ų189142.7 Ų142.783%0.82976%0.764SS**  cis-154169.92.5-139-128.4000105.2
343S25.9Very low26.9Very low96 Ų96142.8 Ų142.867%0.67176%0.76SS**  cis-161.715229-172.70000110
344T25.5Very low27.1Very low123 Ų123141.6 Ų141.676%0.75576%0.762SS**  trans-88.1156.9177.446.70000113.1
345K26.5Very low27Very low192 Ų192139.8 Ų139.884%0.83577%0.766SS**  trans-162.3115.3140.3-108.8171-168.8-177.60112.5
346N27.4Very low27.1Very low133 Ų133142.5 Ų142.571%0.71177%0.774SS**  trans50113.7147-49.50.3000120.2
347F25.3Very low27.1Very low197 Ų197140.3 Ų140.386%0.86477%0.771SS**  -172.7163.695.5-117.3-93.6000112.2
348E26.6Very low27.1Very low171 Ų171140.1 Ų140.180%0.79978%0.778SS**  trans-72.1155.6-170.8-58.1-173.7137.200116.1
349P25.9Very low27.3Very low126 Ų126138.7 Ų138.782%0.81878%0.778SS**  trans-107116.1154.133.9-22.5000111.9
350S26Very low27.6Very low113 Ų113143.7 Ų143.779%0.7979%0.793SS**  trans-83.5151.6170.664.50000112.5
351M27.6Very low27.7Very low156 Ų156144.5 Ų144.577%0.76879%0.793SS**  trans-71.1160.6-170.7-57.9-173.1-73.300114.2
352F28Very low28.1Very low198 Ų198145.2 Ų145.287%0.86880%0.799SS**  -168.693122-91.2-61.3000111.8
353T28.7Very low28.5Very low111 Ų111142 Ų14268%0.68180%0.795SS**  31121.6129.559.60000121.1
354L29.2Very low28.8Very low163 Ų163146 Ų14685%0.85380%0.803SS**  trans-88.5139.4155-68.8166000110.3
355P29.3Very low29.1Very low123 Ų123148.3 Ų148.380%0.79981%0.805SS**  trans-81.5127170.629.6-29.2000111.6
356T29.6Very low29.3Very low140 Ų140144.9 Ų144.986%0.85980%0.802SS**  trans-114.9109.9171.9-55.40000109.6
357S30.7Very low29.4Very low103 Ų103146.9 Ų146.972%0.7281%0.812SS**  trans-169.1141171.146.90000109.6
358C29.1Very low29.7Very low118 Ų118147.2 Ų147.280%0.79781%0.813SS**  cis-142147.1-17.3-870000108.3
359L28.3Very low30Very low176 Ų176147.2 Ų147.292%0.92182%0.818SS**  trans-75.4130.3162.2-76.4159.7000108.9
360Q31Very low30.4Very low187 Ų187146.4 Ų146.487%0.87482%0.815SS**  trans-132.1124.3161.4-82.6-173-23.600109.3
361S29.9Very low31.1Very low108 Ų108147 Ų14776%0.75582%0.816SS**PPolyproline II helixtrans-78.8141.7-179.5-45.40000111
362P34.3Very low31.7Very low126 Ų126147.5 Ų147.582%0.81882%0.82SS**PPolyproline II helixtrans-73.1133171.5-10.526.2000111.1
363V33.9Very low32.4Very low123 Ų123144.6 Ų144.675%0.74582%0.819SS**PPolyproline II helixtrans-86.6135.7172.2175.60000109.8
364H31.9Very low32.8Very low179 Ų179142.9 Ų142.983%0.82982%0.816SS**PPolyproline II helixtrans-68.3132.3174-82.9-90.8000112.3
365H31.6Very low33Very low171 Ų171142.4 Ų142.479%0.79281%0.814SS**  trans-138149.4153.1-82.7-52.9000111.1
366P31.6Very low34.2Very low120 Ų120145.4 Ų145.478%0.77983%0.833SS**  trans-86.8150.2-158.733.5-36.6000114.4K368P366-K368 PolarHBondContact O-N 3.48Å
367L29.7Very low34.4Very low175 Ų175145.7 Ų145.792%0.91683%0.832SS**  trans-69.2124.1173-68.8164.8000111.1
368K30.1Very low34.6Very low205 Ų205147.9 Ų147.989%0.89184%0.838SS**  trans-97.6115.8160-96.8-176.7173.5179.20109P366P366-K368 PolarHBondContact O-N 3.48Å
369L34.8Very low35Very low171 Ų171149.6 Ų149.690%0.89584%0.84SS**  trans-84.4137.6167-79159.2000109.7
370S33.5Very low35.3Very low109 Ų109148.1 Ų148.176%0.76284%0.835SS**  trans-112.8151.2170.7-63.40000109.3
371P39.9Very low35.6Very low126 Ų126145.6 Ų145.682%0.81883%0.833SS**  trans-85.8167.1-154.333.1-37.4000115.9
372I41.3Very low36Very low165 Ų165148.1 Ų148.185%0.84684%0.838SS**  trans-62.4139.1176-63.7159.5000111.6
373T41.7Very low36.1Very low137 Ų137149.7 Ų149.784%0.8484%0.839SS**  trans-123.2133.9158.9-49.20000108.6
374A37.8Very low36.3Very low76 Ų76151.8 Ų151.863%0.62885%0.847SS**  trans-89.1153.5-178.300000112.7
375L32.4Very low36.7Very low153 Ų153149.5 Ų149.580%0.80185%0.848SS**  trans31.8145.4141.3-63.5172.4000120.1
376P55.6Low37.1Very low186 Ų186147.5 Ų147.5100%1.20885%0.853SS**  -95.3070-20.135.6000116.2

Retrieved 376 of 376 residues in 73.7 ms (Link to these results)

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