A0A087YC26_POEFO Loading...

Serine/threonine-protein kinase 24

AlphaFold DB , UniProt , Accession A0A087YC26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 436 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
1M32.5Very low40.7Very low235 Ų235100.5 Ų100.5100%1.15861%0.605SS**  099.50-64.1-167.7-161.200106.6
2A26.5Very low42Very low107 Ų10794.6 Ų94.688%0.88458%0.58SS**PPolyproline II helixtrans-82.6117.8-179.500000108.1S4A2-S4 PolarHBondContact O-N 3.15Å
3H27.4Very low43.4Very low152 Ų15288.9 Ų88.970%0.70455%0.545SS*.PPolyproline II helixtrans-68.5126.1168.4-81.3-88.3000108.4Q7H3-Q7 PolarHBondContact ND1-OE1 3.23Å
4S33.6Very low44.3Very low65 Ų6591.2 Ų91.246%0.45555%0.547SS..PPolyproline II helixtrans-65.9134.1175.8-179.10000109.8A2 L6 Q7A2-S4 PolarHBondContact O-N 3.15Å; S4-L6 PolarHBondContact O-N 2.88Å; S4-Q7 PolarHBondContact O-N 3.48Å
5P34.5Very low45.1Very low127 Ų12791.3 Ų91.383%0.82554%0.543SS*.G310 helixtrans-64.2-6.8-1768.4-8.7000114.8Q7P5-Q7 VanDerWaalsContact C-N 3.33Å; P5-Q7 PolarHBondContact O-N 2.98Å
6L45.6Very low46.1Very low64 Ų6490.4 Ų90.434%0.33553%0.53SS..G310 helixtrans-78.5-7.3-178.7-72159.7000114.6S4 S8S4-L6 PolarHBondContact O-N 2.88Å; L6-S8 VanDerWaalsContact C-N 3.27Å; L6-S8 PolarHBondContact O-N 3.36Å; L6-S8 VanDerWaalsContact O-N 3.16Å
7Q45.1Very low46.9Very low119 Ų11994.1 Ų94.156%0.55655%0.547SS*.G310 helixtrans-70.9-5.7-170.6-85.2-176.2-24.100116.3H3 S4 P5H3-Q7 PolarHBondContact ND1-OE1 3.23Å; S4-Q7 PolarHBondContact O-N 3.48Å; P5-Q7 VanDerWaalsContact C-N 3.33Å; P5-Q7 PolarHBondContact O-N 2.98Å
8S41.4Very low48.7Very low117 Ų11790.2 Ų90.282%0.81853%0.527SS*.G310 helixtrans-141.115.4-171.9630000117.1L6L6-S8 VanDerWaalsContact C-N 3.27Å; L6-S8 PolarHBondContact O-N 3.36Å; L6-S8 VanDerWaalsContact O-N 3.16Å
9G51.7Low50.8Low44 Ų4488.4 Ų88.445%0.45452%0.515SS..  trans-112.8-29.4-166.700000118.5P11G9-P11 VanDerWaalsContact O-CD 3.3Å; G9-P11 WeakPolarHBondContact O-CD 3.32Å
10L56.6Low53Low20 Ų2084 Ų8411%0.10549%0.49CS..  trans-87.5115.6-166.5-75.8162.3000112.8V13 Q68L10-V13 HydrophobicContact CB-CG2 3.46Å; L10-V13 VanDerWaalsContact CB-CG2 3.46Å; L10-V13 HydrophobicContact CD1-CG2 4.2Å; L10-V13 HydrophobicContact CG-CG2 4.46Å; L10-Q68 HydrophobicContact CD2-CB 3.73Å; L10-Q68 VanDerWaalsContact CD2-CD 3.47Å; L10-Q68 HydrophobicContact CD2-CG 3.35Å; L10-Q68 HydrophobicContact CG-CG 4.48Å
11P52.9Low54.9Low55 Ų5584.4 Ų84.436%0.35749%0.487SS..THydrogen-bonded Turntrans-64.9138.2174.6-2136.8000110.8G9 I71 T72G9-P11 VanDerWaalsContact O-CD 3.3Å; G9-P11 WeakPolarHBondContact O-CD 3.32Å; P11-I71 VanDerWaalsContact O-CG2 3.27Å; P11-I71 WeakPolarHBondContact O-CG2 3.44Å; P11-T72 HydrophobicContact CB-CG2 4.49Å; P11-T72 HydrophobicContact CG-CG2 4.45Å; P11-T72 VanDerWaalsContact CG-OG1 3.27Å; P11-T72 WeakPolarHBondContact CG-OG1 3.49Å
12G56.7Low57.8Low30 Ų3080.2 Ų80.231%0.30947%0.465SS..THydrogen-bonded Turntrans86.1-3.8176.200000116.4Q14 Y85G12-Q14 WeakPolarHBondContact O-CG 3.48Å; G12-Q14 PolarHBondContact O-N 3.44Å; G12-Y85 PolarHBondContact O-OH 2.99Å
13V60Low61.1Low21 Ų2176.8 Ų76.813%0.12743%0.432CS..BIsolated β-bridgetrans-68.6106.6172.7178.50000109.5L10 N15 F16 S88L10-V13 HydrophobicContact CB-CG2 3.46Å; L10-V13 VanDerWaalsContact CB-CG2 3.46Å; L10-V13 HydrophobicContact CD1-CG2 4.2Å; L10-V13 HydrophobicContact CG-CG2 4.46Å; V13-N15 PolarHBondContact O-N 3.23Å; V13-F16 HydrophobicContact CB-CE1 4.45Å; V13-F16 HydrophobicContact CB-CE2 4.11Å; V13-F16 HydrophobicContact CB-CZ 3.96Å; V13-F16 HydrophobicContact CG1-CD1 3.99Å; V13-F16 HydrophobicContact CG1-CD2 4Å; V13-F16 HydrophobicContact CG1-CE1 3.83Å; V13-F16 HydrophobicContact CG1-CE2 3.82Å; V13-F16 HydrophobicContact CG1-CG 4.07Å; V13-F16 HydrophobicContact CG1-CZ 3.74Å; V13-F16 HydrophobicContact CG2-CZ 4.23Å; V13-S88 WeakPolarHBondContact CA-O 3.01Å
14Q56Low64.4Low121 Ų12170 Ų7057%0.56540%0.4SS*.  trans-82.8-7.7-169.1-70.8-159.54.300114.4G12 S88G12-Q14 WeakPolarHBondContact O-CG 3.48Å; G12-Q14 PolarHBondContact O-N 3.44Å; Q14-S88 PolarHBondContact N-O 3.07Å
15N56.2Low67.5Low92 Ų9269.2 Ų69.249%0.49239%0.392SS..  trans-176.3114.7164.1-110.6-38.4000110V13 N17 A18V13-N15 PolarHBondContact O-N 3.23Å; N15-N17 PolarHBondContact O-N 3.49Å; N15-N17 VanDerWaalsContact O-N 3.16Å; N15-A18 HydrophobicContact CB-CB 3.78Å; N15-A18 PolarHBondContact O-N 3.2Å
16F60.3Low70.4Confident77 Ų7767.9 Ų67.934%0.33837%0.374SS..THydrogen-bonded Turntrans-65-12.5169.1-69.5-82.1000113.1V13 L90V13-F16 HydrophobicContact CB-CE1 4.45Å; V13-F16 HydrophobicContact CB-CE2 4.11Å; V13-F16 HydrophobicContact CB-CZ 3.96Å; V13-F16 HydrophobicContact CG1-CD1 3.99Å; V13-F16 HydrophobicContact CG1-CD2 4Å; V13-F16 HydrophobicContact CG1-CE1 3.83Å; V13-F16 HydrophobicContact CG1-CE2 3.82Å; V13-F16 HydrophobicContact CG1-CG 4.07Å; V13-F16 HydrophobicContact CG1-CZ 3.74Å; V13-F16 HydrophobicContact CG2-CZ 4.23Å; F16-L90 HydrophobicContact CD1-CB 4.46Å; F16-L90 HydrophobicContact CD1-CD2 4.33Å; F16-L90 HydrophobicContact CE1-CD2 4.5Å
17N60.3Low72.9Confident154 Ų15468.1 Ų68.182%0.82437%0.373SS*.THydrogen-bonded Turntrans-104.9-3.1-174.6-68.2-12.6000114.3N15N15-N17 PolarHBondContact O-N 3.49Å; N15-N17 VanDerWaalsContact O-N 3.16Å
18A79.4Confident75.3Confident23 Ų2367.1 Ų67.119%0.1937%0.368CS..SBendtrans-99.9122.1179.500000109.8N15 P20 L23 Y89N15-A18 HydrophobicContact CB-CB 3.78Å; N15-A18 PolarHBondContact O-N 3.2Å; A18-P20 WeakPolarHBondContact O-CD 3.29Å; A18-L23 HydrophobicContact CB-CD1 4.05Å; A18-Y89 HydrophobicContact CB-CD1 4.46Å; A18-Y89 HydrophobicContact CB-CE1 4.43Å
19D89.3Confident77.8Confident56 Ų5668.8 Ų68.830%0.29936%0.357SS..  trans-69.4117.7174.7-173.7-19000109.1E21 E22 K91D19-E21 PolarHBondContact O-N 3.2Å; D19-E21 VanDerWaalsContact O-N 3.17Å; D19-E21 PolarHBondContact OD1-N 2.86Å; D19-E22 HydrophobicContact CB-CB 4.49Å; D19-E22 HydrophobicContact CB-CG 4.01Å; D19-E22 WeakPolarHBondContact O-CB 3.17Å; D19-E22 PolarHBondContact O-N 3.36Å; D19-E22 VanDerWaalsContact O-N 3.11Å; D19-K91 IonicContact OD1-NZ 3.5Å; D19-K91 PolarHBondContact OD1-NZ 2.98Å; D19-K91 IonicContact OD2-NZ 3.86Å; D19-K91 PolarHBondContact OD2-NZ 3.36Å
20P93.5Very high79.7Confident0 Ų070.2 Ų70.20%035%0.353CS..Hα-helixtrans-60.3-25.1-179.823.1-32.7000113.5A18 E22 L23 F24 Y89 K91 W96A18-P20 WeakPolarHBondContact O-CD 3.29Å; P20-E22 VanDerWaalsContact C-N 3.31Å; P20-E22 PolarHBondContact O-N 3.38Å; P20-L23 PolarHBondContact O-N 3.16Å; P20-F24 HydrophobicContact CB-CD2 4.48Å; P20-F24 WeakPolarHBondContact O-CB 3.47Å; P20-F24 WeakPolarHBondContact O-CD2 3.42Å; P20-F24 PolarHBondContact O-N 3.31Å; P20-Y89 HydrophobicContact CB-CG 4.09Å; P20-K91 HydrophobicContact CG-CB 3.88Å; P20-K91 HydrophobicContact CG-CD 4.2Å; P20-W96 HydrophobicContact CB-CD2 3.95Å; P20-W96 HydrophobicContact CB-CE3 3.82Å; P20-W96 HydrophobicContact CB-CG 4.26Å; P20-W96 HydrophobicContact CB-CZ3 4.34Å; P20-W96 HydrophobicContact CG-CD2 4Å; P20-W96 HydrophobicContact CG-CE3 4.34Å; P20-W96 HydrophobicContact CG-CG 4.12Å
21E93.9Very high81.1Confident94 Ų9470.7 Ų70.744%0.43936%0.363SS..Hα-helixtrans-74.3-22.1178.6-71.4179.4-176.300113.3D19 L23 F24 R44 K91 W96D19-E21 PolarHBondContact O-N 3.2Å; D19-E21 VanDerWaalsContact O-N 3.17Å; D19-E21 PolarHBondContact OD1-N 2.86Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-F24 CarbonylContact C-O 3.43Å; E21-F24 VanDerWaalsContact O-O 3.12Å; E21-R44 PolarHBondContact O-NE 3.46Å; E21-K91 HydrophobicContact CG-CD 4.23Å; E21-K91 IonicContact OE1-NZ 3.45Å; E21-K91 IonicContact OE2-NZ 2.68Å; E21-K91 PolarHBondContact OE2-NZ 3Å; E21-W96 HydrophobicContact CG-CH2 3.91Å; E21-W96 HydrophobicContact CG-CZ2 4.16Å
22E93.8Very high82.5Confident146 Ų14675 Ų7568%0.68238%0.376SS*.Hα-helixtrans-75-26.4170.6-66.4-175.6171.200112D19 P20 R44D19-E22 HydrophobicContact CB-CB 4.49Å; D19-E22 HydrophobicContact CB-CG 4.01Å; D19-E22 WeakPolarHBondContact O-CB 3.17Å; D19-E22 PolarHBondContact O-N 3.36Å; D19-E22 VanDerWaalsContact O-N 3.11Å; P20-E22 VanDerWaalsContact C-N 3.31Å; P20-E22 PolarHBondContact O-N 3.38Å; E22-R44 WeakPolarHBondContact O-CD 3.3Å
23L95Very high83.2Confident36 Ų3674.2 Ų74.219%0.18837%0.368CS..Hα-helixtrans-95-33.7-178.3-61.4179.8000112.6A18 P20 E21 R44 Y89A18-L23 HydrophobicContact CB-CD1 4.05Å; P20-L23 PolarHBondContact O-N 3.16Å; E21-L23 VanDerWaalsContact C-N 3.33Å; L23-R44 VanDerWaalsContact O-CB 3.32Å; L23-R44 WeakPolarHBondContact O-CB 2.98Å; L23-R44 WeakPolarHBondContact O-CG 3.39Å; L23-R44 PolarHBondContact O-N 2.68Å; L23-Y89 HydrophobicContact CD1-CD1 4.21Å; L23-Y89 HydrophobicContact CD1-CE1 3.48Å; L23-Y89 VanDerWaalsContact CD1-CE1 3.48Å
24F97.1Very high83.5Confident10 Ų1077 Ų774%0.04439%0.388CS..EExtended strand (participates in β ladder)trans-128.9140.3-173.2-56.3-81.3000111.3P20 E21 I42 D43 V50 I52 Y89 I98P20-F24 HydrophobicContact CB-CD2 4.48Å; P20-F24 WeakPolarHBondContact O-CB 3.47Å; P20-F24 WeakPolarHBondContact O-CD2 3.42Å; P20-F24 PolarHBondContact O-N 3.31Å; E21-F24 CarbonylContact C-O 3.43Å; E21-F24 VanDerWaalsContact O-O 3.12Å; F24-I42 CarbonylContact C-O 3.53Å; F24-I42 VanDerWaalsContact CA-O 3.28Å; F24-I42 WeakPolarHBondContact CA-O 3.36Å; F24-D43 HydrophobicContact CD1-CB 3.95Å; F24-D43 HydrophobicContact CE1-CB 3.75Å; F24-V50 HydrophobicContact CD1-CG2 3.98Å; F24-V50 HydrophobicContact CE1-CG2 4.38Å; F24-I52 HydrophobicContact CB-CD1 4.01Å; F24-Y89 HydrophobicContact CE2-CD2 4.16Å; F24-Y89 AromaticContact CE2-CE2 3.58Å; F24-Y89 HydrophobicContact CE2-CE2 3.58Å; F24-Y89 AromaticContact CE2-CZ 3.83Å; F24-Y89 HydrophobicContact CZ-CE2 4.11Å; F24-I98 HydrophobicContact CD1-CG2 4.4Å; F24-I98 HydrophobicContact CD2-CD1 4.06Å; F24-I98 HydrophobicContact CD2-CG1 4.33Å; F24-I98 HydrophobicContact CE1-CG1 4.41Å; F24-I98 HydrophobicContact CE1-CG2 3.79Å; F24-I98 HydrophobicContact CE2-CD1 4.1Å; F24-I98 HydrophobicContact CE2-CG1 3.85Å; F24-I98 HydrophobicContact CG-CD1 4.34Å; F24-I98 HydrophobicContact CZ-CB 4.43Å; F24-I98 HydrophobicContact CZ-CD1 4.39Å; F24-I98 HydrophobicContact CZ-CG1 3.9Å; F24-I98 HydrophobicContact CZ-CG2 3.95Å
25T97.6Very high84.3Confident47 Ų4772.6 Ų72.629%0.28837%0.367SS..EExtended strand (participates in β ladder)trans-96109.7167.4-53.90000108.3G41 I42 R44T25-G41 CarbonylContact O-C 3.48Å; T25-G41 WeakPolarHBondContact O-CA 3.34Å; T25-I42 PolarHBondContact N-O 2.95Å; T25-I42 PolarHBondContact O-N 3.46Å; T25-R44 PolarHBondContact OG1-NE 3.09Å; T25-R44 PolarHBondContact OG1-NH1 3.29Å; T25-R44 PolarHBondContact OG1-NH2 2.9Å
26K96.9Very high85.6Confident100 Ų10068.9 Ų68.944%0.43535%0.351SS..EExtended strand (participates in β ladder)trans-69.4134.6172-169.7-18073.6167.80110.1F39 I54 W96K26-F39 HydrophobicContact CD-CB 4.24Å; K26-F39 HydrophobicContact CD-CD1 3.95Å; K26-F39 HydrophobicContact CD-CD2 4.08Å; K26-F39 HydrophobicContact CD-CE1 4.34Å; K26-F39 HydrophobicContact CD-CE2 4.44Å; K26-F39 HydrophobicContact CD-CG 3.82Å; K26-F39 HydrophobicContact CG-CB 3.8Å; K26-F39 HydrophobicContact CG-CD1 4.07Å; K26-F39 HydrophobicContact CG-CG 3.9Å; K26-I54 HydrophobicContact CD-CD1 3.61Å; K26-W96 HydrophobicContact CB-CH2 4.01Å; K26-W96 HydrophobicContact CB-CZ3 4.37Å; K26-W96 HydrophobicContact CD-CH2 4.17Å
27Q96.9Very high87Confident68 Ų6868.7 Ų68.732%0.31835%0.351SS..EExtended strand (participates in β ladder)trans-117.8-148.7178.9-50.8-169.1-59.300110.5K40Q27-K40 WeakPolarHBondContact CA-O 3.4Å; Q27-K40 HydrophobicContact CB-CB 4.33Å; Q27-K40 WeakPolarHBondContact CB-O 3.39Å; Q27-K40 PolarHBondContact N-O 2.97Å
28E94.9Very high88.6Confident99 Ų9962.2 Ų62.246%0.46332%0.317SS..EExtended strand (participates in β ladder)trans-59.7149.7-178.670.1-82.3-166.500113I30 F39 K40E28-I30 HydrophobicContact CG-CG2 4.13Å; E28-F39 WeakPolarHBondContact O-CA 3.38Å; E28-K40 PolarHBondContact O-N 3.33Å; E28-K40 WeakPolarHBondContact OE1-CD 3.35Å; E28-K40 IonicContact OE1-NZ 2.67Å; E28-K40 PolarHBondContact OE1-NZ 3.33Å
29R94.9Very high89.4Confident152 Ų15262.1 Ų62.157%0.57431%0.312SS*.EExtended strand (participates in β ladder)trans-70.7128.1169.7-168.2-18069.3164.82.9108.6E37 F39R29-E37 WeakPolarHBondContact CD-OE1 3.28Å; R29-E37 IonicContact CZ-OE1 3.88Å; R29-E37 IonicContact NE-OE1 2.81Å; R29-E37 IonicContact NH1-OE1 3.66Å; R29-E37 PolarHBondContact NH1-OE1 3.41Å; R29-F39 HydrophobicContact CB-CD1 3.87Å; R29-F39 HydrophobicContact CB-CE1 3.68Å; R29-F39 HydrophobicContact CB-CZ 4.43Å; R29-F39 HydrophobicContact CG-CD1 4.31Å; R29-F39 HydrophobicContact CG-CE1 4.01Å; R29-F39 HydrophobicContact CG-CZ 4.28Å
30I91.4Very high89.8Confident74 Ų7461.7 Ų61.738%0.37931%0.308SS..EExtended strand (participates in β ladder)trans-111.2-14.2-178.159.4175.4000113.2E28 V38 K40 Y101E28-I30 HydrophobicContact CG-CG2 4.13Å; I30-V38 HydrophobicContact CD1-CG1 3.98Å; I30-V38 HydrophobicContact CG1-CB 4.24Å; I30-V38 HydrophobicContact CG1-CG1 3.88Å; I30-V38 WeakPolarHBondContact CG1-O 3.49Å; I30-V38 PolarHBondContact N-O 2.98Å; I30-K40 HydrophobicContact CD1-CB 4.43Å; I30-K40 HydrophobicContact CG2-CB 3.83Å; I30-Y101 HydrophobicContact CD1-CD2 4.04Å; I30-Y101 HydrophobicContact CD1-CE2 3.79Å
31G86.3Confident90Very high30 Ų3061.7 Ų61.731%0.30931%0.308SS..EExtended strand (participates in β ladder)trans-175.3177.9176.300000113.1V38G31-V38 PolarHBondContact N-O 3.43Å; G31-V38 VanDerWaalsContact N-O 3.15Å; G31-V38 PolarHBondContact O-N 3.31Å
32K82.6Confident90.2Very high145 Ų14559.2 Ų59.263%0.6330%0.297SS*.EExtended strand (participates in β ladder)trans-127.8119.9170.5-175.3179.6178.8-178.80107.6
33G70.3Confident90.4Very high14 Ų1453.5 Ų53.514%0.14427%0.271CS..  trans-92.1-174.4173.600000111.6F35 G36G33-F35 VanDerWaalsContact C-N 3.33Å; G33-F35 PolarHBondContact O-N 2.95Å; G33-G36 PolarHBondContact N-O 3.16Å
34S66.6Low90.4Very high78 Ų7857.8 Ų57.855%0.54529%0.285SS..SBendtrans-59.1-40.5-176.5-46.40000113.6
35F73.1Confident90.3Very high29 Ų2966.4 Ų66.413%0.12732%0.317CS..SBendtrans-109.2-2.2-171.9-56.1-66.3000113.7G33 I55 E63 D66 I67 E70 V165G33-F35 VanDerWaalsContact C-N 3.33Å; G33-F35 PolarHBondContact O-N 2.95Å; F35-I55 HydrophobicContact CB-CD1 3.74Å; F35-I55 HydrophobicContact CB-CG1 3.92Å; F35-I55 HydrophobicContact CB-CG2 4.18Å; F35-I55 WeakPolarHBondContact O-CG2 3.36Å; F35-E63 HydrophobicContact CD1-CB 4.19Å; F35-E63 WeakPolarHBondContact CD1-OE2 3.36Å; F35-E63 HydrophobicContact CE1-CB 3.99Å; F35-E63 HydrophobicContact CE1-CG 4.22Å; F35-D66 HydrophobicContact CZ-CB 4.36Å; F35-I67 HydrophobicContact CB-CD1 4.39Å; F35-I67 HydrophobicContact CB-CG1 4.29Å; F35-I67 HydrophobicContact CD1-CD1 4.31Å; F35-I67 HydrophobicContact CD1-CG1 4.05Å; F35-I67 HydrophobicContact CD2-CG1 4.09Å; F35-I67 HydrophobicContact CE1-CG1 4.41Å; F35-I67 HydrophobicContact CE2-CG1 4.46Å; F35-I67 HydrophobicContact CG-CD1 4.34Å; F35-I67 HydrophobicContact CG-CG1 3.88Å; F35-E70 WeakPolarHBondContact CD2-OE2 3.49Å; F35-E70 VanDerWaalsContact CE2-OE2 3.24Å; F35-E70 WeakPolarHBondContact CE2-OE2 3.46Å; F35-V165 HydrophobicContact CZ-CG2 4.02Å
36G83.4Confident90.2Very high14 Ų1467.8 Ų67.814%0.14433%0.325CS..SBendtrans173-171.8-171.200000114.9G33 I54G33-G36 PolarHBondContact N-O 3.16Å; G36-I54 WeakPolarHBondContact CA-O 3.27Å
37E90.8Very high90.2Very high73 Ų7369.5 Ų69.534%0.34134%0.335SS..EExtended strand (participates in β ladder)trans-98.1143.5-176.1-63-171120.600111.1R29 F39 K53 I54R29-E37 WeakPolarHBondContact CD-OE1 3.28Å; R29-E37 IonicContact CZ-OE1 3.88Å; R29-E37 IonicContact NE-OE1 2.81Å; R29-E37 IonicContact NH1-OE1 3.66Å; R29-E37 PolarHBondContact NH1-OE1 3.41Å; E37-F39 HydrophobicContact CB-CD2 4.35Å; E37-F39 HydrophobicContact CB-CE2 3.51Å; E37-F39 HydrophobicContact CB-CZ 3.92Å; E37-F39 WeakPolarHBondContact OE2-CZ 3.31Å; E37-K53 WeakPolarHBondContact O-CA 3.29Å; E37-I54 PolarHBondContact N-O 3.48Å; E37-I54 VanDerWaalsContact N-O 3.11Å; E37-I54 PolarHBondContact O-N 2.94Å
38V93.4Very high90.2Very high18 Ų1873.1 Ų73.111%0.10935%0.35CS..EExtended strand (participates in β ladder)trans-108.7126.6177.8-169.70000108.9I30 G31 A51 I52 K53I30-V38 HydrophobicContact CD1-CG1 3.98Å; I30-V38 HydrophobicContact CG1-CB 4.24Å; I30-V38 HydrophobicContact CG1-CG1 3.88Å; I30-V38 WeakPolarHBondContact CG1-O 3.49Å; I30-V38 PolarHBondContact N-O 2.98Å; G31-V38 PolarHBondContact N-O 3.43Å; G31-V38 VanDerWaalsContact N-O 3.15Å; G31-V38 PolarHBondContact O-N 3.31Å; V38-A51 HydrophobicContact CG1-CB 4.34Å; V38-I52 WeakPolarHBondContact CA-O 3.37Å; V38-K53 HydrophobicContact CG2-CB 4.25Å; V38-K53 HydrophobicContact CG2-CG 4.22Å
39F96.4Very high90.3Very high22 Ų2271.5 Ų71.510%0.09635%0.347CS..EExtended strand (participates in β ladder)trans-115.8149.4178.6-61.8-94.5000110.3K26 E28 R29 E37 I52 I54K26-F39 HydrophobicContact CD-CB 4.24Å; K26-F39 HydrophobicContact CD-CD1 3.95Å; K26-F39 HydrophobicContact CD-CD2 4.08Å; K26-F39 HydrophobicContact CD-CE1 4.34Å; K26-F39 HydrophobicContact CD-CE2 4.44Å; K26-F39 HydrophobicContact CD-CG 3.82Å; K26-F39 HydrophobicContact CG-CB 3.8Å; K26-F39 HydrophobicContact CG-CD1 4.07Å; K26-F39 HydrophobicContact CG-CG 3.9Å; E28-F39 WeakPolarHBondContact O-CA 3.38Å; R29-F39 HydrophobicContact CB-CD1 3.87Å; R29-F39 HydrophobicContact CB-CE1 3.68Å; R29-F39 HydrophobicContact CB-CZ 4.43Å; R29-F39 HydrophobicContact CG-CD1 4.31Å; R29-F39 HydrophobicContact CG-CE1 4.01Å; R29-F39 HydrophobicContact CG-CZ 4.28Å; E37-F39 HydrophobicContact CB-CD2 4.35Å; E37-F39 HydrophobicContact CB-CE2 3.51Å; E37-F39 HydrophobicContact CB-CZ 3.92Å; E37-F39 WeakPolarHBondContact OE2-CZ 3.31Å; F39-I52 HydrophobicContact CB-CB 4.45Å; F39-I52 PolarHBondContact N-O 2.85Å; F39-I52 PolarHBondContact O-N 2.7Å; F39-I54 HydrophobicContact CD2-CD1 3.77Å; F39-I54 HydrophobicContact CD2-CG1 4.06Å; F39-I54 HydrophobicContact CE2-CB 4.42Å; F39-I54 HydrophobicContact CE2-CD1 3.9Å; F39-I54 HydrophobicContact CE2-CG1 4.29Å
40K97.2Very high90.4Very high46 Ų4664.5 Ų64.520%0.232%0.32CS..EExtended strand (participates in β ladder)trans-72.7148.1161-171.3-176.5-178.9-177.30108.9Q27 E28 I30 V49 Y101Q27-K40 WeakPolarHBondContact CA-O 3.4Å; Q27-K40 HydrophobicContact CB-CB 4.33Å; Q27-K40 WeakPolarHBondContact CB-O 3.39Å; Q27-K40 PolarHBondContact N-O 2.97Å; E28-K40 PolarHBondContact O-N 3.33Å; E28-K40 WeakPolarHBondContact OE1-CD 3.35Å; E28-K40 IonicContact OE1-NZ 2.67Å; E28-K40 PolarHBondContact OE1-NZ 3.33Å; I30-K40 HydrophobicContact CD1-CB 4.43Å; I30-K40 HydrophobicContact CG2-CB 3.83Å; K40-V49 HydrophobicContact CD-CG1 4.26Å; K40-V49 HydrophobicContact CG-CG1 3.72Å; K40-Y101 HydrophobicContact CB-CE2 4.5Å; K40-Y101 HydrophobicContact CD-CE2 4.41Å; K40-Y101 HydrophobicContact CG-CD2 4.35Å; K40-Y101 HydrophobicContact CG-CE2 4.1Å
41G97.8Very high90.7Very high0 Ų061.3 Ų61.30%031%0.306CS..EExtended strand (participates in β ladder)trans-147.4168.8175.700000113T25 V49 V50T25-G41 CarbonylContact O-C 3.48Å; T25-G41 WeakPolarHBondContact O-CA 3.34Å; G41-V49 CarbonylContact O-C 3.52Å; G41-V49 WeakPolarHBondContact O-CA 3.4Å; G41-V50 PolarHBondContact N-O 2.79Å; G41-V50 PolarHBondContact O-N 3.17Å
42I98Very high91.1Very high42 Ų4259.9 Ų59.922%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-121.5123.5173-60.8176.2000108.4F24 T25 R44 K48F24-I42 CarbonylContact C-O 3.53Å; F24-I42 VanDerWaalsContact CA-O 3.28Å; F24-I42 WeakPolarHBondContact CA-O 3.36Å; T25-I42 PolarHBondContact N-O 2.95Å; T25-I42 PolarHBondContact O-N 3.46Å; I42-R44 PolarHBondContact O-N 3.5Å; I42-K48 WeakPolarHBondContact CA-O 3.45Å
43D97.3Very high91.6Very high27 Ų2753 Ų5314%0.14426%0.261CS..EExtended strand (participates in β ladder)trans-66.9113.4165.1-176.5-35.5000108.6F24 R45 T46 Q47 K48 V50F24-D43 HydrophobicContact CD1-CB 3.95Å; F24-D43 HydrophobicContact CE1-CB 3.75Å; D43-R45 PolarHBondContact O-N 3.21Å; D43-R45 WeakPolarHBondContact OD1-CA 3.34Å; D43-R45 VanDerWaalsContact OD1-CB 3.23Å; D43-R45 WeakPolarHBondContact OD1-CB 3.43Å; D43-R45 PolarHBondContact OD1-N 3.45Å; D43-T46 PolarHBondContact O-N 3.36Å; D43-T46 PolarHBondContact OD1-N 3.45Å; D43-Q47 WeakPolarHBondContact O-CA 3.37Å; D43-Q47 PolarHBondContact O-N 2.9Å; D43-K48 PolarHBondContact N-O 2.89Å; D43-V50 HydrophobicContact CB-CG1 4.44Å
44R96.3Very high92.7Very high126 Ų12653.1 Ų53.148%0.47526%0.258SS..THydrogen-bonded Turntrans-65.7-22.6-176-66.5171.1177.9-843.3112.5E21 E22 L23 T25 I42 Q47E21-R44 PolarHBondContact O-NE 3.46Å; E22-R44 WeakPolarHBondContact O-CD 3.3Å; L23-R44 VanDerWaalsContact O-CB 3.32Å; L23-R44 WeakPolarHBondContact O-CB 2.98Å; L23-R44 WeakPolarHBondContact O-CG 3.39Å; L23-R44 PolarHBondContact O-N 2.68Å; T25-R44 PolarHBondContact OG1-NE 3.09Å; T25-R44 PolarHBondContact OG1-NH1 3.29Å; T25-R44 PolarHBondContact OG1-NH2 2.9Å; I42-R44 PolarHBondContact O-N 3.5Å; R44-Q47 PolarHBondContact O-NE2 3.23Å
45R94.9Very high93.9Very high191 Ų19149.4 Ų49.472%0.72123%0.232SC*.THydrogen-bonded Turntrans-81.2-43.7-178.9-57.3162.153.7169.6-3.1111.1D43D43-R45 PolarHBondContact O-N 3.21Å; D43-R45 WeakPolarHBondContact OD1-CA 3.34Å; D43-R45 VanDerWaalsContact OD1-CB 3.23Å; D43-R45 WeakPolarHBondContact OD1-CB 3.43Å; D43-R45 PolarHBondContact OD1-N 3.45Å
46T95.8Very high94.8Very high75 Ų7549.2 Ų49.246%0.4623%0.232SC..THydrogen-bonded Turntrans-103.2-8.6-175.270.70000113.8D43 K48D43-T46 PolarHBondContact O-N 3.36Å; D43-T46 PolarHBondContact OD1-N 3.45Å; T46-K48 PolarHBondContact O-N 2.97Å; T46-K48 VanDerWaalsContact O-N 3.17Å; T46-K48 WeakPolarHBondContact OG1-CB 3.46Å; T46-K48 WeakPolarHBondContact OG1-CG 3.22Å; T46-K48 PolarHBondContact OG1-N 2.89Å
47Q96.4Very high95Very high136 Ų13649.3 Ų49.364%0.63623%0.229SC*.  trans55.525-171.8-58.8-63.7-54.200113.3D43 R44D43-Q47 WeakPolarHBondContact O-CA 3.37Å; D43-Q47 PolarHBondContact O-N 2.9Å; R44-Q47 PolarHBondContact O-NE2 3.23Å
48K95.9Very high94.9Very high144 Ų14452.7 Ų52.763%0.62625%0.245SC*.  trans-90.3143.2178.4-70.9-175.5176.4-175.30109.7I42 D43 T46I42-K48 WeakPolarHBondContact CA-O 3.45Å; D43-K48 PolarHBondContact N-O 2.89Å; T46-K48 PolarHBondContact O-N 2.97Å; T46-K48 VanDerWaalsContact O-N 3.17Å; T46-K48 WeakPolarHBondContact OG1-CB 3.46Å; T46-K48 WeakPolarHBondContact OG1-CG 3.22Å; T46-K48 PolarHBondContact OG1-N 2.89Å
49V97.4Very high94.5Very high66 Ų6659.9 Ų59.940%0.428%0.278SS..EExtended strand (participates in β ladder)trans-73.7135171.8-172.60000109K40 G41 Y101K40-V49 HydrophobicContact CD-CG1 4.26Å; K40-V49 HydrophobicContact CG-CG1 3.72Å; G41-V49 CarbonylContact O-C 3.52Å; G41-V49 WeakPolarHBondContact O-CA 3.4Å; V49-Y101 HydrophobicContact CB-CD1 4.23Å; V49-Y101 HydrophobicContact CG1-CD1 3.55Å; V49-Y101 HydrophobicContact CG1-CD2 4.26Å; V49-Y101 HydrophobicContact CG1-CE1 4.07Å; V49-Y101 HydrophobicContact CG1-CG 3.65Å
50V97.5Very high93.7Very high4 Ų459.1 Ų59.12%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-131.6158.8179.5-64.20000110.3F24 G41 D43 I52 I98F24-V50 HydrophobicContact CD1-CG2 3.98Å; F24-V50 HydrophobicContact CE1-CG2 4.38Å; G41-V50 PolarHBondContact N-O 2.79Å; G41-V50 PolarHBondContact O-N 3.17Å; D43-V50 HydrophobicContact CB-CG1 4.44Å; V50-I52 HydrophobicContact CG2-CD1 4.33Å; V50-I52 HydrophobicContact CG2-CG1 4.01Å; V50-I98 HydrophobicContact CB-CG2 3.97Å; V50-I98 HydrophobicContact CG1-CG2 4.15Å; V50-I98 HydrophobicContact CG2-CG2 4.08Å
51A96.6Very high92.7Very high8 Ų864.1 Ų64.17%0.06630%0.299CS..EExtended strand (participates in β ladder)trans-95.6137.3165.400000109.1V38 M99V38-A51 HydrophobicContact CG1-CB 4.34Å; A51-M99 HydrophobicContact CB-CB 4.41Å; A51-M99 PolarHBondContact N-O 2.99Å; A51-M99 PolarHBondContact O-N 3.47Å
52I95.6Very high91.7Very high0 Ų070.9 Ų70.90%034%0.335CS..EExtended strand (participates in β ladder)trans-123.1103.1-177.6-53.7-175.8000107.8F24 V38 F39 V50 I54 W96 I98F24-I52 HydrophobicContact CB-CD1 4.01Å; V38-I52 WeakPolarHBondContact CA-O 3.37Å; F39-I52 HydrophobicContact CB-CB 4.45Å; F39-I52 PolarHBondContact N-O 2.85Å; F39-I52 PolarHBondContact O-N 2.7Å; V50-I52 HydrophobicContact CG2-CD1 4.33Å; V50-I52 HydrophobicContact CG2-CG1 4.01Å; I52-I54 HydrophobicContact CG2-CD1 4.16Å; I52-I54 HydrophobicContact CG2-CG1 3.78Å; I52-W96 HydrophobicContact CD1-CE3 4.17Å; I52-W96 HydrophobicContact CD1-CZ3 3.86Å; I52-W96 HydrophobicContact CG2-CB 4.49Å; I52-W96 HydrophobicContact CG2-CD2 3.87Å; I52-W96 HydrophobicContact CG2-CE3 3.29Å; I52-W96 HydrophobicContact CG2-CG 4.41Å; I52-W96 HydrophobicContact CG2-CZ3 3.8Å; I52-I98 HydrophobicContact CB-CD1 4.38Å; I52-I98 HydrophobicContact CD1-CD1 4.38Å; I52-I98 HydrophobicContact CG1-CD1 3.97Å; I52-I98 HydrophobicContact CG2-CD1 3.96Å
53K93.3Very high90.7Very high0 Ų072.7 Ų72.70%034%0.343CS..EExtended strand (participates in β ladder)trans-87.8119.8172.4-179.1174.1-178.4177.80108.1E37 V38 I55 E70 W96 I97 M99 D162E37-K53 WeakPolarHBondContact O-CA 3.29Å; V38-K53 HydrophobicContact CG2-CB 4.25Å; V38-K53 HydrophobicContact CG2-CG 4.22Å; K53-I55 HydrophobicContact CG-CG1 4.41Å; K53-E70 IonicContact NZ-OE1 3.72Å; K53-E70 PolarHBondContact NZ-OE1 2.66Å; K53-E70 IonicContact NZ-OE2 2.85Å; K53-W96 WeakPolarHBondContact O-CA 3.5Å; K53-I97 HydrophobicContact CB-CB 4.26Å; K53-I97 PolarHBondContact N-O 2.93Å; K53-I97 PolarHBondContact O-N 3.4Å; K53-M99 HydrophobicContact CB-CE 3.73Å; K53-M99 HydrophobicContact CD-CE 4.22Å; K53-D162 IonicContact NZ-OD1 2.65Å; K53-D162 PolarHBondContact NZ-OD1 3.24Å
54I93.3Very high90Very high17 Ų1773 Ų739%0.08735%0.345CS..EExtended strand (participates in β ladder)trans-110.9121.5-178.7-54.4-179000108.4K26 G36 E37 F39 I52 K94 L95 W96K26-I54 HydrophobicContact CD-CD1 3.61Å; G36-I54 WeakPolarHBondContact CA-O 3.27Å; E37-I54 PolarHBondContact N-O 3.48Å; E37-I54 VanDerWaalsContact N-O 3.11Å; E37-I54 PolarHBondContact O-N 2.94Å; F39-I54 HydrophobicContact CD2-CD1 3.77Å; F39-I54 HydrophobicContact CD2-CG1 4.06Å; F39-I54 HydrophobicContact CE2-CB 4.42Å; F39-I54 HydrophobicContact CE2-CD1 3.9Å; F39-I54 HydrophobicContact CE2-CG1 4.29Å; I52-I54 HydrophobicContact CG2-CD1 4.16Å; I52-I54 HydrophobicContact CG2-CG1 3.78Å; I54-K94 HydrophobicContact CG2-CB 3.99Å; I54-K94 HydrophobicContact CG2-CD 4.07Å; I54-K94 HydrophobicContact CG2-CG 4.42Å; I54-L95 WeakPolarHBondContact CA-O 3.34Å; I54-W96 HydrophobicContact CD1-CD2 4.06Å; I54-W96 HydrophobicContact CD1-CH2 4.22Å; I54-W96 HydrophobicContact CD1-CZ2 3.73Å; I54-W96 HydrophobicContact CG1-CD2 4.14Å; I54-W96 HydrophobicContact CG1-CG 4.24Å
55I91.6Very high89.3Confident0 Ų073 Ų730%035%0.349CS..EExtended strand (participates in β ladder)trans-115.6132.4179.4-59.8171.3000108F35 K53 L57 A60 I67 K94 L95 I97F35-I55 HydrophobicContact CB-CD1 3.74Å; F35-I55 HydrophobicContact CB-CG1 3.92Å; F35-I55 HydrophobicContact CB-CG2 4.18Å; F35-I55 WeakPolarHBondContact O-CG2 3.36Å; K53-I55 HydrophobicContact CG-CG1 4.41Å; I55-L57 HydrophobicContact CG2-CD2 4.28Å; I55-A60 HydrophobicContact CG2-CB 4.18Å; I55-I67 HydrophobicContact CD1-CD1 4.39Å; I55-I67 HydrophobicContact CD1-CG1 4.22Å; I55-I67 HydrophobicContact CD1-CG2 3.87Å; I55-I67 HydrophobicContact CG2-CD1 3.76Å; I55-K94 CarbonylContact O-C 3.6Å; I55-K94 VanDerWaalsContact O-CA 3.31Å; I55-K94 WeakPolarHBondContact O-CA 3.38Å; I55-L95 HydrophobicContact CB-CB 4.46Å; I55-L95 PolarHBondContact N-O 3.17Å; I55-L95 PolarHBondContact O-N 3.11Å; I55-I97 HydrophobicContact CD1-CD1 3.78Å
56D91.1Very high88.4Confident25 Ų2564.8 Ų64.813%0.13432%0.32CS..EExtended strand (participates in β ladder)trans-87.6112.5170.9-154-38000109.8E58 E59 A60 T93 K94D56-E58 VanDerWaalsContact C-N 3.26Å; D56-E58 PolarHBondContact O-N 3.09Å; D56-E58 PolarHBondContact OD1-N 2.97Å; D56-E59 HydrophobicContact CB-CB 4.24Å; D56-E59 HydrophobicContact CB-CG 4.1Å; D56-E59 PolarHBondContact O-N 3.36Å; D56-A60 WeakPolarHBondContact O-CB 3.47Å; D56-A60 PolarHBondContact O-N 3.46Å; D56-A60 VanDerWaalsContact O-N 3.14Å; D56-T93 PolarHBondContact OD1-OG1 3.21Å; D56-T93 VanDerWaalsContact OD1-OG1 3.13Å; D56-K94 IonicContact OD2-NZ 2.71Å; D56-K94 PolarHBondContact OD2-NZ 2.95Å
57L88.1Confident87.8Confident16 Ų1661.3 Ų61.38%0.08430%0.299CS..THydrogen-bonded Turntrans-73.7-18-175.7-60.9179000112.9I55 L90 T93 L95I55-L57 HydrophobicContact CG2-CD2 4.28Å; L57-L90 HydrophobicContact CD1-CD1 3.7Å; L57-T93 VanDerWaalsContact CB-O 3.28Å; L57-T93 WeakPolarHBondContact CB-O 3.27Å; L57-T93 WeakPolarHBondContact CG-O 3.33Å; L57-T93 PolarHBondContact N-O 2.8Å; L57-L95 HydrophobicContact CD1-CB 4.17Å; L57-L95 HydrophobicContact CD2-CB 4.02Å; L57-L95 HydrophobicContact CD2-CD2 4.21Å; L57-L95 HydrophobicContact CG-CB 4.07Å
58E88.8Confident87.2Confident143 Ų14357.2 Ų57.267%0.66828%0.279SS*.THydrogen-bonded Turntrans-73.5-34.8172.2-75.3-175.7168.500111.5D56 T93D56-E58 VanDerWaalsContact C-N 3.26Å; D56-E58 PolarHBondContact O-N 3.09Å; D56-E58 PolarHBondContact OD1-N 2.97Å; E58-T93 HydrophobicContact CG-CG2 3.62Å; E58-T93 WeakPolarHBondContact OE1-CG2 3.33Å
59E84.9Confident86.3Confident170 Ų17052.4 Ų52.479%0.79426%0.259SS*.THydrogen-bonded Turntrans-79.4-24.5177.1-62.2-177.3174.200112.2D56D56-E59 HydrophobicContact CB-CB 4.24Å; D56-E59 HydrophobicContact CB-CG 4.1Å; D56-E59 PolarHBondContact O-N 3.36Å
60A79.5Confident85.5Confident5 Ų549.6 Ų49.64%0.04124%0.242CC..THydrogen-bonded Turntrans-104.925.4-173.800000113.8I55 D56 D62 E63 I64 I67I55-A60 HydrophobicContact CG2-CB 4.18Å; D56-A60 WeakPolarHBondContact O-CB 3.47Å; D56-A60 PolarHBondContact O-N 3.46Å; D56-A60 VanDerWaalsContact O-N 3.14Å; A60-D62 VanDerWaalsContact C-N 3.3Å; A60-D62 PolarHBondContact O-N 3.26Å; A60-E63 HydrophobicContact CB-CB 4.31Å; A60-E63 CarbonylContact O-C 3.6Å; A60-E63 WeakPolarHBondContact O-CA 3.39Å; A60-E63 PolarHBondContact O-N 3.32Å; A60-I64 WeakPolarHBondContact O-CG1 3.34Å; A60-I64 PolarHBondContact O-N 3.13Å; A60-I64 VanDerWaalsContact O-N 3.09Å; A60-I67 HydrophobicContact CB-CD1 3.82Å
61E77.1Confident84.9Confident151 Ų15149.5 Ų49.571%0.70624%0.241SC*.G310 helixtrans-52.6-43.6-172.2-170.3175.8-170.500113E63E61-E63 VanDerWaalsContact C-N 3.26Å; E61-E63 PolarHBondContact O-N 3.09Å
62D76.3Confident84.4Confident142 Ų14250.3 Ų50.376%0.75925%0.245SC*.G310 helixtrans-73.4-15.5179.3-71-39000113.9A60A60-D62 VanDerWaalsContact C-N 3.3Å; A60-D62 PolarHBondContact O-N 3.26Å
63E77.6Confident83.8Confident80 Ų8050.8 Ų50.837%0.37425%0.248SC..G310 helixtrans-108.4-3-172-64.2163.7-17800112.3F35 A60 E61 E65 D66 I67F35-E63 HydrophobicContact CD1-CB 4.19Å; F35-E63 WeakPolarHBondContact CD1-OE2 3.36Å; F35-E63 HydrophobicContact CE1-CB 3.99Å; F35-E63 HydrophobicContact CE1-CG 4.22Å; A60-E63 HydrophobicContact CB-CB 4.31Å; A60-E63 CarbonylContact O-C 3.6Å; A60-E63 WeakPolarHBondContact O-CA 3.39Å; A60-E63 PolarHBondContact O-N 3.32Å; E61-E63 VanDerWaalsContact C-N 3.26Å; E61-E63 PolarHBondContact O-N 3.09Å; E63-E65 VanDerWaalsContact C-N 3.28Å; E63-E65 PolarHBondContact O-N 2.67Å; E63-D66 WeakPolarHBondContact O-CB 3.47Å; E63-D66 PolarHBondContact O-N 3.33Å; E63-I67 HydrophobicContact CB-CD1 4.34Å; E63-I67 WeakPolarHBondContact O-CG1 3.4Å; E63-I67 PolarHBondContact O-N 3.31Å
64I82.3Confident83.4Confident35 Ų3551.1 Ų51.118%0.17925%0.25CC..Hα-helixtrans-52.3-47.7-177.3-68.9177.1000110.9A60 D66 I67 Q68A60-I64 WeakPolarHBondContact O-CG1 3.34Å; A60-I64 PolarHBondContact O-N 3.13Å; A60-I64 VanDerWaalsContact O-N 3.09Å; I64-D66 VanDerWaalsContact C-N 3.28Å; I64-D66 PolarHBondContact O-N 3.48Å; I64-I67 WeakPolarHBondContact O-CB 3.47Å; I64-I67 PolarHBondContact O-N 3.19Å; I64-Q68 HydrophobicContact CG2-CG 4.07Å; I64-Q68 WeakPolarHBondContact O-CG 3.45Å; I64-Q68 PolarHBondContact O-N 2.99Å
65E80.9Confident83.2Confident124 Ų12452.5 Ų52.558%0.57926%0.261SS*.Hα-helixtrans-58.4-40.6179.8-70.8-176.9-171.600112.4E63 Q68 Q69 R176E63-E65 VanDerWaalsContact C-N 3.28Å; E63-E65 PolarHBondContact O-N 2.67Å; E65-Q68 PolarHBondContact O-N 2.91Å; E65-Q69 WeakPolarHBondContact O-CB 3.44Å; E65-Q69 PolarHBondContact O-N 3.1Å; E65-R176 IonicContact OE1-NH2 3.59Å; E65-R176 IonicContact OE2-CZ 3.23Å; E65-R176 IonicContact OE2-NH1 3.78Å; E65-R176 PolarHBondContact OE2-NH1 2.92Å; E65-R176 IonicContact OE2-NH2 3.8Å; E65-R176 PolarHBondContact OE2-NH2 3.19Å
66D77.6Confident83.1Confident19 Ų1957.9 Ų57.910%0.10229%0.286CS..Hα-helixtrans-68.6-39.2179.6-64.7-23000110.5F35 E63 I64 Q69 E70 V165 R176F35-D66 HydrophobicContact CZ-CB 4.36Å; E63-D66 WeakPolarHBondContact O-CB 3.47Å; E63-D66 PolarHBondContact O-N 3.33Å; I64-D66 VanDerWaalsContact C-N 3.28Å; I64-D66 PolarHBondContact O-N 3.48Å; D66-Q69 PolarHBondContact O-N 3.1Å; D66-E70 PolarHBondContact O-N 2.94Å; D66-V165 HydrophobicContact CB-CG1 3.87Å; D66-V165 HydrophobicContact CB-CG2 4.48Å; D66-V165 VanDerWaalsContact CG-CG1 3.49Å; D66-R176 IonicContact OD1-NH1 3.54Å; D66-R176 PolarHBondContact OD1-NH1 2.79Å; D66-R176 IonicContact OD2-NH1 3.29Å
67I82.8Confident83.1Confident2 Ų257.3 Ų57.31%0.0128%0.284CS..Hα-helixtrans-63.4-44.3173.4-64.6158.1000111.2F35 I55 A60 E63 I64 Q69 E70 I71 L95F35-I67 HydrophobicContact CB-CD1 4.39Å; F35-I67 HydrophobicContact CB-CG1 4.29Å; F35-I67 HydrophobicContact CD1-CD1 4.31Å; F35-I67 HydrophobicContact CD1-CG1 4.05Å; F35-I67 HydrophobicContact CD2-CG1 4.09Å; F35-I67 HydrophobicContact CE1-CG1 4.41Å; F35-I67 HydrophobicContact CE2-CG1 4.46Å; F35-I67 HydrophobicContact CG-CD1 4.34Å; F35-I67 HydrophobicContact CG-CG1 3.88Å; I55-I67 HydrophobicContact CD1-CD1 4.39Å; I55-I67 HydrophobicContact CD1-CG1 4.22Å; I55-I67 HydrophobicContact CD1-CG2 3.87Å; I55-I67 HydrophobicContact CG2-CD1 3.76Å; A60-I67 HydrophobicContact CB-CD1 3.82Å; E63-I67 HydrophobicContact CB-CD1 4.34Å; E63-I67 WeakPolarHBondContact O-CG1 3.4Å; E63-I67 PolarHBondContact O-N 3.31Å; I64-I67 WeakPolarHBondContact O-CB 3.47Å; I64-I67 PolarHBondContact O-N 3.19Å; I67-Q69 VanDerWaalsContact C-N 3.26Å; I67-Q69 PolarHBondContact O-N 3.44Å; I67-E70 PolarHBondContact O-N 2.85Å; I67-I71 HydrophobicContact CG2-CD1 4.06Å; I67-I71 WeakPolarHBondContact O-CG1 3.14Å; I67-I71 PolarHBondContact O-N 3.3Å; I67-L95 HydrophobicContact CG2-CD2 3.77Å
68Q82.4Confident83.3Confident50 Ų5062.9 Ų62.923%0.23431%0.314CS..Hα-helixtrans-62-41178.3-41.5-153.5-24.800110.7L10 I64 E65 I71 T72L10-Q68 HydrophobicContact CD2-CB 3.73Å; L10-Q68 VanDerWaalsContact CD2-CD 3.47Å; L10-Q68 HydrophobicContact CD2-CG 3.35Å; L10-Q68 HydrophobicContact CG-CG 4.48Å; I64-Q68 HydrophobicContact CG2-CG 4.07Å; I64-Q68 WeakPolarHBondContact O-CG 3.45Å; I64-Q68 PolarHBondContact O-N 2.99Å; E65-Q68 PolarHBondContact O-N 2.91Å; Q68-I71 PolarHBondContact O-N 2.89Å; Q68-T72 WeakPolarHBondContact O-CB 3.47Å; Q68-T72 PolarHBondContact O-N 3.44Å; Q68-T72 PolarHBondContact O-OG1 3.47Å
69Q78.8Confident83.7Confident44 Ų4456.9 Ų56.921%0.20629%0.288CS..Hα-helixtrans-66.5-42.5179.5-175.763.123.200111.5E65 D66 I67 I71 T72 V73 A166E65-Q69 WeakPolarHBondContact O-CB 3.44Å; E65-Q69 PolarHBondContact O-N 3.1Å; D66-Q69 PolarHBondContact O-N 3.1Å; I67-Q69 VanDerWaalsContact C-N 3.26Å; I67-Q69 PolarHBondContact O-N 3.44Å; Q69-I71 PolarHBondContact O-N 2.9Å; Q69-T72 PolarHBondContact O-N 3.37Å; Q69-V73 WeakPolarHBondContact O-CG2 3.42Å; Q69-V73 PolarHBondContact O-N 2.7Å; Q69-A166 WeakPolarHBondContact CG-O 3.36Å; Q69-A166 PolarHBondContact NE2-O 3.37Å; Q69-A166 VanDerWaalsContact NE2-O 3.11Å
70E80.4Confident84.3Confident7 Ų752.8 Ų52.83%0.03328%0.276CS..Hα-helixtrans-56.4-50.8174.1-177.3-177.8156.700110.9F35 K53 D66 I67 T72 V73 L74 F163F35-E70 WeakPolarHBondContact CD2-OE2 3.49Å; F35-E70 VanDerWaalsContact CE2-OE2 3.24Å; F35-E70 WeakPolarHBondContact CE2-OE2 3.46Å; K53-E70 IonicContact NZ-OE1 3.72Å; K53-E70 PolarHBondContact NZ-OE1 2.66Å; K53-E70 IonicContact NZ-OE2 2.85Å; D66-E70 PolarHBondContact O-N 2.94Å; I67-E70 PolarHBondContact O-N 2.85Å; E70-T72 VanDerWaalsContact C-N 3.31Å; E70-T72 PolarHBondContact O-N 3.21Å; E70-V73 PolarHBondContact O-N 3.02Å; E70-L74 VanDerWaalsContact O-CB 3.28Å; E70-L74 WeakPolarHBondContact O-CB 3.43Å; E70-L74 PolarHBondContact O-N 2.72Å; E70-F163 HydrophobicContact CG-CB 4.3Å
71I84.9Confident85.2Confident2 Ų254.7 Ų54.71%0.0128%0.284CS..Hα-helixtrans-61.4-42178.5-66.2167.8000110.9P11 I67 Q68 Q69 L74 S75 Y85 L95 I97P11-I71 VanDerWaalsContact O-CG2 3.27Å; P11-I71 WeakPolarHBondContact O-CG2 3.44Å; I67-I71 HydrophobicContact CG2-CD1 4.06Å; I67-I71 WeakPolarHBondContact O-CG1 3.14Å; I67-I71 PolarHBondContact O-N 3.3Å; Q68-I71 PolarHBondContact O-N 2.89Å; Q69-I71 PolarHBondContact O-N 2.9Å; I71-L74 PolarHBondContact O-N 3.06Å; I71-S75 WeakPolarHBondContact O-CB 3.16Å; I71-S75 PolarHBondContact O-N 2.92Å; I71-S75 PolarHBondContact O-OG 3.46Å; I71-Y85 HydrophobicContact CG2-CE2 4.17Å; I71-L95 HydrophobicContact CD1-CD2 3.66Å; I71-I97 HydrophobicContact CD1-CD1 3.78Å; I71-I97 HydrophobicContact CD1-CG1 4.03Å; I71-I97 HydrophobicContact CG1-CD1 3.76Å; I71-I97 HydrophobicContact CG1-CG1 4.26Å
72T84.9Confident86.1Confident24 Ų2447.7 Ų47.715%0.14725%0.251CS..Hα-helixtrans-60.7-50.1179.5-60.20000110.9P11 Q68 Q69 E70 S75 Q76P11-T72 HydrophobicContact CB-CG2 4.49Å; P11-T72 HydrophobicContact CG-CG2 4.45Å; P11-T72 VanDerWaalsContact CG-OG1 3.27Å; P11-T72 WeakPolarHBondContact CG-OG1 3.49Å; Q68-T72 WeakPolarHBondContact O-CB 3.47Å; Q68-T72 PolarHBondContact O-N 3.44Å; Q68-T72 PolarHBondContact O-OG1 3.47Å; Q69-T72 PolarHBondContact O-N 3.37Å; E70-T72 VanDerWaalsContact C-N 3.31Å; E70-T72 PolarHBondContact O-N 3.21Å; T72-S75 PolarHBondContact O-N 3.46Å; T72-S75 PolarHBondContact O-OG 2.74Å; T72-Q76 VanDerWaalsContact O-CG 3.29Å; T72-Q76 WeakPolarHBondContact O-CG 3.35Å; T72-Q76 PolarHBondContact O-N 2.82Å
73V83.7Confident86.9Confident11 Ų1141.2 Ų41.27%0.06722%0.216CC..Hα-helixtrans-61.9-48.7178.6171.20000110.6Q69 E70 S75 Q76 C77 K140 F163 A166Q69-V73 WeakPolarHBondContact O-CG2 3.42Å; Q69-V73 PolarHBondContact O-N 2.7Å; E70-V73 PolarHBondContact O-N 3.02Å; V73-S75 VanDerWaalsContact C-N 3.34Å; V73-S75 PolarHBondContact O-N 3.08Å; V73-Q76 PolarHBondContact O-N 3.02Å; V73-C77 PolarHBondContact O-N 3.4Å; V73-C77 PolarHBondContact O-SG 3.46Å; V73-K140 HydrophobicContact CG1-CD 4Å; V73-K140 HydrophobicContact CG1-CG 4.49Å; V73-F163 HydrophobicContact CG1-CD1 3.9Å; V73-F163 HydrophobicContact CG1-CE1 4.21Å; V73-F163 HydrophobicContact CG1-CG 4.3Å; V73-A166 HydrophobicContact CB-CB 4.37Å; V73-A166 HydrophobicContact CG1-CB 4.3Å; V73-A166 HydrophobicContact CG2-CB 3.96Å
74L85.5Confident87.7Confident6 Ų642.5 Ų42.53%0.03122%0.221CC..Hα-helixtrans-63.4-39.3-178.3-171.971.7000111.9E70 I71 Q76 C77 I82 Y85 M99 F163E70-L74 VanDerWaalsContact O-CB 3.28Å; E70-L74 WeakPolarHBondContact O-CB 3.43Å; E70-L74 PolarHBondContact O-N 2.72Å; I71-L74 PolarHBondContact O-N 3.06Å; L74-Q76 PolarHBondContact O-N 3.36Å; L74-C77 WeakPolarHBondContact O-CB 3.42Å; L74-C77 PolarHBondContact O-N 3.37Å; L74-C77 VanDerWaalsContact O-N 3.15Å; L74-I82 HydrophobicContact CD1-CG2 4.35Å; L74-Y85 HydrophobicContact CD2-CD2 4Å; L74-Y85 HydrophobicContact CD2-CG 4.39Å; L74-M99 HydrophobicContact CD2-CG 4.33Å; L74-M99 HydrophobicContact CD2-SD 3.96Å; L74-F163 HydrophobicContact CB-CD2 4.44Å; L74-F163 HydrophobicContact CD1-CD2 3.61Å; L74-F163 HydrophobicContact CD1-CE2 3.36Å
75S88.1Confident88.2Confident47 Ų4742.1 Ų42.133%0.32922%0.217SC..Hα-helixtrans-66.3-22.217874.20000114I71 T72 V73I71-S75 WeakPolarHBondContact O-CB 3.16Å; I71-S75 PolarHBondContact O-N 2.92Å; I71-S75 PolarHBondContact O-OG 3.46Å; T72-S75 PolarHBondContact O-N 3.46Å; T72-S75 PolarHBondContact O-OG 2.74Å; V73-S75 VanDerWaalsContact C-N 3.34Å; V73-S75 PolarHBondContact O-N 3.08Å
76Q89.2Confident88.8Confident112 Ų11239.8 Ų39.852%0.52321%0.206SC..THydrogen-bonded Turntrans-91.4-6.5177.2-67.1171.68.200113T72 V73 L74T72-Q76 VanDerWaalsContact O-CG 3.29Å; T72-Q76 WeakPolarHBondContact O-CG 3.35Å; T72-Q76 PolarHBondContact O-N 2.82Å; V73-Q76 PolarHBondContact O-N 3.02Å; L74-Q76 PolarHBondContact O-N 3.36Å
77C90.7Very high89.5Confident14 Ų1438.9 Ų38.910%0.09520%0.202CC..  trans-86.4125.6178.8-71.90000110.6V73 L74 I82 Y134V73-C77 PolarHBondContact O-N 3.4Å; V73-C77 PolarHBondContact O-SG 3.46Å; L74-C77 WeakPolarHBondContact O-CB 3.42Å; L74-C77 PolarHBondContact O-N 3.37Å; L74-C77 VanDerWaalsContact O-N 3.15Å; C77-I82 HydrophobicContact CB-CB 4.45Å; C77-I82 HydrophobicContact CB-CG2 3.87Å; C77-Y134 WeakPolarHBondContact CA-OH 3.37Å; C77-Y134 HydrophobicContact CB-CE1 4.29Å
78D93.2Very high89.9Confident132 Ų13238.8 Ų38.871%0.70620%0.201SC*.  trans-133.388170.7-17225.7000108.8Y134D78-Y134 PolarHBondContact N-OH 2.89Å
79S96.5Very high90.4Very high17 Ų1737.3 Ų37.312%0.11919%0.194CC..  trans-150.9140.7-177.6172.60000110.1F81 I82 Y134S79-F81 PolarHBondContact O-N 3.07Å; S79-F81 VanDerWaalsContact O-N 3.14Å; S79-F81 PolarHBondContact OG-N 3.33Å; S79-I82 PolarHBondContact O-N 2.94Å; S79-I82 VanDerWaalsContact O-O 3.11Å; S79-Y134 VanDerWaalsContact CB-CD1 3.49Å
80P97.6Very high91Very high85 Ų8537.3 Ų37.355%0.55220%0.195SC*.THydrogen-bonded Turntrans-66.7-12176.629.2-35.6000113.1K159P80-K159 WeakPolarHBondContact O-CD 3.2Å; P80-K159 WeakPolarHBondContact O-CE 3.35Å; P80-K159 WeakPolarHBondContact O-CG 3.38Å
81F97.9Very high91.4Very high45 Ų4539.8 Ų39.820%0.19721%0.205CC..THydrogen-bonded Turntrans-98.81.8-180-49.8-64.8000113.1S79 E127 R130 K159 L160S79-F81 PolarHBondContact O-N 3.07Å; S79-F81 VanDerWaalsContact O-N 3.14Å; S79-F81 PolarHBondContact OG-N 3.33Å; F81-E127 WeakPolarHBondContact CE1-OE2 3.28Å; F81-R130 HydrophobicContact CD1-CB 3.94Å; F81-R130 HydrophobicContact CD2-CB 3.63Å; F81-R130 HydrophobicContact CE1-CB 4.04Å; F81-R130 HydrophobicContact CE1-CG 4.49Å; F81-R130 HydrophobicContact CE2-CB 3.7Å; F81-R130 HydrophobicContact CE2-CG 4.36Å; F81-R130 HydrophobicContact CG-CB 3.76Å; F81-R130 HydrophobicContact CZ-CB 3.93Å; F81-R130 VanDerWaalsContact CZ-CD 3.5Å; F81-R130 HydrophobicContact CZ-CG 4.27Å; F81-K159 CarbonylContact O-C 3.52Å; F81-K159 VanDerWaalsContact O-CA 3.32Å; F81-K159 WeakPolarHBondContact O-CA 3.06Å; F81-L160 PolarHBondContact O-N 2.75Å
82I96.3Very high91.6Very high3 Ų343 Ų432%0.01524%0.239CC..BIsolated β-bridgetrans-121140.5177.4-55.1-57.3000108.3L74 C77 S79 K84 Y134 L135 L160 F163L74-I82 HydrophobicContact CD1-CG2 4.35Å; C77-I82 HydrophobicContact CB-CB 4.45Å; C77-I82 HydrophobicContact CB-CG2 3.87Å; S79-I82 PolarHBondContact O-N 2.94Å; S79-I82 VanDerWaalsContact O-O 3.11Å; I82-K84 PolarHBondContact O-N 3.31Å; I82-Y134 HydrophobicContact CG1-CD1 3.85Å; I82-Y134 HydrophobicContact CG1-CE1 4.08Å; I82-L135 HydrophobicContact CD1-CD1 3.81Å; I82-L135 HydrophobicContact CD1-CD2 4.02Å; I82-L135 HydrophobicContact CD1-CG 3.85Å; I82-L135 HydrophobicContact CG1-CD2 4.31Å; I82-L160 HydrophobicContact CD1-CB 3.9Å; I82-L160 HydrophobicContact CD1-CD1 4.08Å; I82-L160 HydrophobicContact CD1-CG 4.4Å; I82-F163 HydrophobicContact CD1-CZ 4.1Å; I82-F163 HydrophobicContact CG1-CZ 4.49Å; I82-F163 HydrophobicContact CG2-CE2 3.53Å; I82-F163 HydrophobicContact CG2-CZ 3.44Å; I82-F163 VanDerWaalsContact CG2-CZ 3.44Å
83T94.4Very high91.9Very high6 Ų644.1 Ų44.14%0.03725%0.246CC..PPolyproline II helixtrans-55.6129.8173.242.10000111.4L102 L151 K159 L160 A161T83-L102 HydrophobicContact CG2-CD1 3.65Å; T83-L151 HydrophobicContact CG2-CD1 4.32Å; T83-K159 HydrophobicContact CG2-CB 4.46Å; T83-L160 WeakPolarHBondContact CG2-O 3.41Å; T83-L160 PolarHBondContact N-O 3.15Å; T83-L160 PolarHBondContact OG1-O 3.38Å; T83-L160 VanDerWaalsContact OG1-O 3.12Å; T83-A161 HydrophobicContact CG2-CB 3.66Å
84K94.1Very high92.3Very high108 Ų10847.9 Ų47.947%0.4726%0.261SS..PPolyproline II helixtrans-78.1129.3-178-170.8164.5-178.4159.40111.4I82 M99 E100I82-K84 PolarHBondContact O-N 3.31Å; K84-M99 CarbonylContact O-C 3.47Å; K84-M99 WeakPolarHBondContact O-CA 3.38Å; K84-E100 HydrophobicContact CB-CB 3.97Å; K84-E100 WeakPolarHBondContact CB-OE2 3.42Å; K84-E100 PolarHBondContact N-OE2 3.09Å; K84-E100 PolarHBondContact O-N 3.45Å
85Y93.1Very high92.6Very high26 Ų2647.6 Ų47.610%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-81138.8167.9177.2-110.9000111.5G12 I71 L74 G87 S88 I97G12-Y85 PolarHBondContact O-OH 2.99Å; I71-Y85 HydrophobicContact CG2-CE2 4.17Å; L74-Y85 HydrophobicContact CD2-CD2 4Å; L74-Y85 HydrophobicContact CD2-CG 4.39Å; Y85-G87 VanDerWaalsContact CE2-C 3.48Å; Y85-G87 VanDerWaalsContact OH-C 3.23Å; Y85-G87 WeakPolarHBondContact OH-CA 3.38Å; Y85-S88 WeakPolarHBondContact CE2-OG 3.5Å; Y85-S88 WeakPolarHBondContact OH-CB 3.41Å; Y85-S88 PolarHBondContact OH-N 3.18Å; Y85-S88 PolarHBondContact OH-OG 3.19Å; Y85-I97 HydrophobicContact CD2-CG2 4.14Å; Y85-I97 HydrophobicContact CE2-CG2 3.94Å
86H92.6Very high92.9Very high76 Ų7645.7 Ų45.735%0.35225%0.246SC..EExtended strand (participates in β ladder)trans-112.7-27.3177.4-65.1-23.8000113I98H86-I98 HydrophobicContact CB-CB 4.15Å; H86-I98 HydrophobicContact CB-CG2 3.98Å; H86-I98 WeakPolarHBondContact CB-O 3.29Å; H86-I98 PolarHBondContact N-O 2.82Å
87G91.8Very high93Very high0 Ų040.5 Ų40.50%022%0.221CC..EExtended strand (participates in β ladder)trans152.4167178.300000112Y85 I98Y85-G87 VanDerWaalsContact CE2-C 3.48Å; Y85-G87 VanDerWaalsContact OH-C 3.23Å; Y85-G87 WeakPolarHBondContact OH-CA 3.38Å; G87-I98 PolarHBondContact N-O 3.19Å; G87-I98 PolarHBondContact O-N 3.1Å
88S91.8Very high93.2Very high0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-122.1147.2173.8-58.50000111.4V13 Q14 Y85 W96V13-S88 WeakPolarHBondContact CA-O 3.01Å; Q14-S88 PolarHBondContact N-O 3.07Å; Y85-S88 WeakPolarHBondContact CE2-OG 3.5Å; Y85-S88 WeakPolarHBondContact OH-CB 3.41Å; Y85-S88 PolarHBondContact OH-N 3.18Å; Y85-S88 PolarHBondContact OH-OG 3.19Å; S88-W96 CarbonylContact C-O 3.56Å; S88-W96 WeakPolarHBondContact CA-O 3.38Å
89Y92.9Very high93.3Very high19 Ų1934.4 Ų34.48%0.07519%0.187CC..EExtended strand (participates in β ladder)trans-136.3142.4-177.5-58.2-95.9000110A18 P20 L23 F24 W96 I98A18-Y89 HydrophobicContact CB-CD1 4.46Å; A18-Y89 HydrophobicContact CB-CE1 4.43Å; P20-Y89 HydrophobicContact CB-CG 4.09Å; L23-Y89 HydrophobicContact CD1-CD1 4.21Å; L23-Y89 HydrophobicContact CD1-CE1 3.48Å; L23-Y89 VanDerWaalsContact CD1-CE1 3.48Å; F24-Y89 HydrophobicContact CE2-CD2 4.16Å; F24-Y89 AromaticContact CE2-CE2 3.58Å; F24-Y89 HydrophobicContact CE2-CE2 3.58Å; F24-Y89 AromaticContact CE2-CZ 3.83Å; F24-Y89 HydrophobicContact CZ-CE2 4.11Å; Y89-W96 PolarHBondContact N-O 3.29Å; Y89-W96 PolarHBondContact O-N 3.14Å; Y89-I98 HydrophobicContact CD2-CD1 4.41Å; Y89-I98 HydrophobicContact CD2-CG1 3.74Å; Y89-I98 HydrophobicContact CE2-CG1 3.64Å
90L91.1Very high93.2Very high44 Ų4435.5 Ų35.523%0.2319%0.191CC..EExtended strand (participates in β ladder)trans-107.1126.1178.3-173.967.1000109.7F16 L57F16-L90 HydrophobicContact CD1-CB 4.46Å; F16-L90 HydrophobicContact CD1-CD2 4.33Å; F16-L90 HydrophobicContact CE1-CD2 4.5Å; L57-L90 HydrophobicContact CD1-CD1 3.7Å
91K89Confident93.1Very high59 Ų5934.7 Ų34.726%0.25718%0.177SC..EExtended strand (participates in β ladder)trans-127.7103.8174.7-177.4168.2-172.9137.50109.9D19 P20 E21 T93 K94D19-K91 IonicContact OD1-NZ 3.5Å; D19-K91 PolarHBondContact OD1-NZ 2.98Å; D19-K91 IonicContact OD2-NZ 3.86Å; D19-K91 PolarHBondContact OD2-NZ 3.36Å; P20-K91 HydrophobicContact CG-CB 3.88Å; P20-K91 HydrophobicContact CG-CD 4.2Å; E21-K91 HydrophobicContact CG-CD 4.23Å; E21-K91 IonicContact OE1-NZ 3.45Å; E21-K91 IonicContact OE2-NZ 2.68Å; E21-K91 PolarHBondContact OE2-NZ 3Å; K91-T93 PolarHBondContact O-N 2.86Å; K91-T93 VanDerWaalsContact O-N 3.17Å; K91-K94 PolarHBondContact N-O 3.48Å; K91-K94 PolarHBondContact O-N 2.78Å
92G89.7Confident93.1Very high70 Ų7033.1 Ų33.172%0.72217%0.171SC*.THydrogen-bonded Turntrans59.9-117.5-171.200000110.1
93T90Very high93.1Very high46 Ų4633.7 Ų33.728%0.28218%0.177SC..THydrogen-bonded Turntrans-93-6.8177.763.20000112.9D56 L57 E58 K91D56-T93 PolarHBondContact OD1-OG1 3.21Å; D56-T93 VanDerWaalsContact OD1-OG1 3.13Å; L57-T93 VanDerWaalsContact CB-O 3.28Å; L57-T93 WeakPolarHBondContact CB-O 3.27Å; L57-T93 WeakPolarHBondContact CG-O 3.33Å; L57-T93 PolarHBondContact N-O 2.8Å; E58-T93 HydrophobicContact CG-CG2 3.62Å; E58-T93 WeakPolarHBondContact OE1-CG2 3.33Å; K91-T93 PolarHBondContact O-N 2.86Å; K91-T93 VanDerWaalsContact O-N 3.17Å
94K92.1Very high93.2Very high90 Ų9033.5 Ų33.539%0.39118%0.176SC..EExtended strand (participates in β ladder)trans-97.6124.3-172.4-60.6-172.1-175.9-66.30111.5I54 I55 D56 K91I54-K94 HydrophobicContact CG2-CB 3.99Å; I54-K94 HydrophobicContact CG2-CD 4.07Å; I54-K94 HydrophobicContact CG2-CG 4.42Å; I55-K94 CarbonylContact O-C 3.6Å; I55-K94 VanDerWaalsContact O-CA 3.31Å; I55-K94 WeakPolarHBondContact O-CA 3.38Å; D56-K94 IonicContact OD2-NZ 2.71Å; D56-K94 PolarHBondContact OD2-NZ 2.95Å; K91-K94 PolarHBondContact N-O 3.48Å; K91-K94 PolarHBondContact O-N 2.78Å
95L92.1Very high93.2Very high1 Ų129.1 Ų29.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-91.4121.6172.1-177.563.3000109.9I54 I55 L57 I67 I71 I97I54-L95 WeakPolarHBondContact CA-O 3.34Å; I55-L95 HydrophobicContact CB-CB 4.46Å; I55-L95 PolarHBondContact N-O 3.17Å; I55-L95 PolarHBondContact O-N 3.11Å; L57-L95 HydrophobicContact CD1-CB 4.17Å; L57-L95 HydrophobicContact CD2-CB 4.02Å; L57-L95 HydrophobicContact CD2-CD2 4.21Å; L57-L95 HydrophobicContact CG-CB 4.07Å; I67-L95 HydrophobicContact CG2-CD2 3.77Å; I71-L95 HydrophobicContact CD1-CD2 3.66Å; L95-I97 HydrophobicContact CD2-CG1 4.5Å; L95-I97 HydrophobicContact CG-CG1 4.31Å
96W94Very high93.4Very high7 Ų728.3 Ų28.33%0.02716%0.16CC..EExtended strand (participates in β ladder)trans-100.1121.9174.8-70.947000108.9P20 E21 K26 I52 K53 I54 S88 Y89 I98P20-W96 HydrophobicContact CB-CD2 3.95Å; P20-W96 HydrophobicContact CB-CE3 3.82Å; P20-W96 HydrophobicContact CB-CG 4.26Å; P20-W96 HydrophobicContact CB-CZ3 4.34Å; P20-W96 HydrophobicContact CG-CD2 4Å; P20-W96 HydrophobicContact CG-CE3 4.34Å; P20-W96 HydrophobicContact CG-CG 4.12Å; E21-W96 HydrophobicContact CG-CH2 3.91Å; E21-W96 HydrophobicContact CG-CZ2 4.16Å; K26-W96 HydrophobicContact CB-CH2 4.01Å; K26-W96 HydrophobicContact CB-CZ3 4.37Å; K26-W96 HydrophobicContact CD-CH2 4.17Å; I52-W96 HydrophobicContact CD1-CE3 4.17Å; I52-W96 HydrophobicContact CD1-CZ3 3.86Å; I52-W96 HydrophobicContact CG2-CB 4.49Å; I52-W96 HydrophobicContact CG2-CD2 3.87Å; I52-W96 HydrophobicContact CG2-CE3 3.29Å; I52-W96 HydrophobicContact CG2-CG 4.41Å; I52-W96 HydrophobicContact CG2-CZ3 3.8Å; K53-W96 WeakPolarHBondContact O-CA 3.5Å; I54-W96 HydrophobicContact CD1-CD2 4.06Å; I54-W96 HydrophobicContact CD1-CH2 4.22Å; I54-W96 HydrophobicContact CD1-CZ2 3.73Å; I54-W96 HydrophobicContact CG1-CD2 4.14Å; I54-W96 HydrophobicContact CG1-CG 4.24Å; S88-W96 CarbonylContact C-O 3.56Å; S88-W96 WeakPolarHBondContact CA-O 3.38Å; Y89-W96 PolarHBondContact N-O 3.29Å; Y89-W96 PolarHBondContact O-N 3.14Å; W96-I98 HydrophobicContact CB-CD1 4.37Å; W96-I98 HydrophobicContact CE3-CD1 4.34Å
97I92.5Very high93.7Very high2 Ų224.8 Ų24.81%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-108.9115174.4-55.3173.5000107K53 I55 I71 Y85 L95 M99K53-I97 HydrophobicContact CB-CB 4.26Å; K53-I97 PolarHBondContact N-O 2.93Å; K53-I97 PolarHBondContact O-N 3.4Å; I55-I97 HydrophobicContact CD1-CD1 3.78Å; I71-I97 HydrophobicContact CD1-CD1 3.78Å; I71-I97 HydrophobicContact CD1-CG1 4.03Å; I71-I97 HydrophobicContact CG1-CD1 3.76Å; I71-I97 HydrophobicContact CG1-CG1 4.26Å; Y85-I97 HydrophobicContact CD2-CG2 4.14Å; Y85-I97 HydrophobicContact CE2-CG2 3.94Å; L95-I97 HydrophobicContact CD2-CG1 4.5Å; L95-I97 HydrophobicContact CG-CG1 4.31Å; I97-M99 HydrophobicContact CG2-CG 3.95Å; I97-M99 HydrophobicContact CG2-SD 4.12Å
98I94.8Very high93.9Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-95125.7-178-45.8-57.5000109F24 V50 I52 H86 G87 Y89 W96F24-I98 HydrophobicContact CD1-CG2 4.4Å; F24-I98 HydrophobicContact CD2-CD1 4.06Å; F24-I98 HydrophobicContact CD2-CG1 4.33Å; F24-I98 HydrophobicContact CE1-CG1 4.41Å; F24-I98 HydrophobicContact CE1-CG2 3.79Å; F24-I98 HydrophobicContact CE2-CD1 4.1Å; F24-I98 HydrophobicContact CE2-CG1 3.85Å; F24-I98 HydrophobicContact CG-CD1 4.34Å; F24-I98 HydrophobicContact CZ-CB 4.43Å; F24-I98 HydrophobicContact CZ-CD1 4.39Å; F24-I98 HydrophobicContact CZ-CG1 3.9Å; F24-I98 HydrophobicContact CZ-CG2 3.95Å; V50-I98 HydrophobicContact CB-CG2 3.97Å; V50-I98 HydrophobicContact CG1-CG2 4.15Å; V50-I98 HydrophobicContact CG2-CG2 4.08Å; I52-I98 HydrophobicContact CB-CD1 4.38Å; I52-I98 HydrophobicContact CD1-CD1 4.38Å; I52-I98 HydrophobicContact CG1-CD1 3.97Å; I52-I98 HydrophobicContact CG2-CD1 3.96Å; H86-I98 HydrophobicContact CB-CB 4.15Å; H86-I98 HydrophobicContact CB-CG2 3.98Å; H86-I98 WeakPolarHBondContact CB-O 3.29Å; H86-I98 PolarHBondContact N-O 2.82Å; G87-I98 PolarHBondContact N-O 3.19Å; G87-I98 PolarHBondContact O-N 3.1Å; Y89-I98 HydrophobicContact CD2-CD1 4.41Å; Y89-I98 HydrophobicContact CD2-CG1 3.74Å; Y89-I98 HydrophobicContact CE2-CG1 3.64Å; W96-I98 HydrophobicContact CB-CD1 4.37Å; W96-I98 HydrophobicContact CE3-CD1 4.34Å
99M94Very high94.1Very high18 Ų1829.2 Ų29.29%0.08917%0.167CC..EExtended strand (participates in β ladder)trans-135164.3-174.5-56.9179.8-66.400111.1A51 K53 L74 K84 I97A51-M99 HydrophobicContact CB-CB 4.41Å; A51-M99 PolarHBondContact N-O 2.99Å; A51-M99 PolarHBondContact O-N 3.47Å; K53-M99 HydrophobicContact CB-CE 3.73Å; K53-M99 HydrophobicContact CD-CE 4.22Å; L74-M99 HydrophobicContact CD2-CG 4.33Å; L74-M99 HydrophobicContact CD2-SD 3.96Å; K84-M99 CarbonylContact O-C 3.47Å; K84-M99 WeakPolarHBondContact O-CA 3.38Å; I97-M99 HydrophobicContact CG2-CG 3.95Å; I97-M99 HydrophobicContact CG2-SD 4.12Å
100E95.1Very high94.3Very high41 Ų4128.3 Ų28.319%0.19216%0.164CC..EExtended strand (participates in β ladder)trans-56.1135.7167.8171.8178.3179.100111.3K84 L102 K159K84-E100 HydrophobicContact CB-CB 3.97Å; K84-E100 WeakPolarHBondContact CB-OE2 3.42Å; K84-E100 PolarHBondContact N-OE2 3.09Å; K84-E100 PolarHBondContact O-N 3.45Å; E100-L102 HydrophobicContact CG-CD2 4.37Å; E100-L102 HydrophobicContact CG-CG 4.36Å; E100-K159 VanDerWaalsContact OE1-CE 3.26Å; E100-K159 WeakPolarHBondContact OE1-CE 3.4Å; E100-K159 IonicContact OE1-NZ 3.07Å; E100-K159 PolarHBondContact OE1-NZ 3.16Å; E100-K159 IonicContact OE2-NZ 3.92Å; E100-K159 PolarHBondContact OE2-NZ 2.91Å
101Y96.8Very high94.6Very high67 Ų6727.1 Ų27.126%0.26316%0.158SC..  trans-89.3128.2172.5178.3-104.1000111.4I30 K40 V49I30-Y101 HydrophobicContact CD1-CD2 4.04Å; I30-Y101 HydrophobicContact CD1-CE2 3.79Å; K40-Y101 HydrophobicContact CB-CE2 4.5Å; K40-Y101 HydrophobicContact CD-CE2 4.41Å; K40-Y101 HydrophobicContact CG-CD2 4.35Å; K40-Y101 HydrophobicContact CG-CE2 4.1Å; V49-Y101 HydrophobicContact CB-CD1 4.23Å; V49-Y101 HydrophobicContact CG1-CD1 3.55Å; V49-Y101 HydrophobicContact CG1-CD2 4.26Å; V49-Y101 HydrophobicContact CG1-CE1 4.07Å; V49-Y101 HydrophobicContact CG1-CG 3.65Å
102L96.8Very high94.9Very high13 Ų1327.4 Ų27.47%0.06816%0.16CC..  trans-114.991.2178.9-70.6171.1000109.7T83 E100 G104 G105 L151 L152 K159T83-L102 HydrophobicContact CG2-CD1 3.65Å; E100-L102 HydrophobicContact CG-CD2 4.37Å; E100-L102 HydrophobicContact CG-CG 4.36Å; L102-G104 PolarHBondContact O-N 3.36Å; L102-G105 PolarHBondContact O-N 3.41Å; L102-L151 HydrophobicContact CB-CB 3.98Å; L102-L151 HydrophobicContact CD1-CB 3.37Å; L102-L151 HydrophobicContact CD1-CD1 4.08Å; L102-L151 HydrophobicContact CD1-CG 4.36Å; L102-L151 HydrophobicContact CG-CB 4.32Å; L102-L152 CarbonylContact C-O 3.54Å; L102-L152 WeakPolarHBondContact CB-O 3.23Å; L102-K159 HydrophobicContact CD1-CB 3.86Å; L102-K159 HydrophobicContact CD1-CD 4.14Å; L102-K159 HydrophobicContact CD1-CG 4.17Å; L102-K159 HydrophobicContact CD2-CD 4.11Å; L102-K159 HydrophobicContact CD2-CG 4.4Å
103G95.8Very high95.1Very high14 Ų1425 Ų2514%0.14413%0.132CC..THydrogen-bonded Turntrans-75.82.3-169.100000116.8G105G103-G105 VanDerWaalsContact C-N 3.34Å
104G96.2Very high95.3Very high2 Ų224.3 Ų24.32%0.02113%0.133CC..THydrogen-bonded Turntrans-81.9-11.8174.100000113.7L102 L152L102-G104 PolarHBondContact O-N 3.36Å; G104-L152 WeakPolarHBondContact CA-O 3.26Å; G104-L152 PolarHBondContact N-O 3.35Å
105G95.5Very high95.4Very high17 Ų1723.9 Ų23.918%0.17515%0.147CC..EExtended strand (participates in β ladder)trans85.3-176.6-174.300000112.8L102 G103 L152L102-G105 PolarHBondContact O-N 3.41Å; G103-G105 VanDerWaalsContact C-N 3.34Å; G105-L152 PolarHBondContact O-N 3.23Å
106S97.1Very high95.7Very high9 Ų924.4 Ų24.46%0.06315%0.15CC..EExtended strand (participates in β ladder)trans-82.5159.2173.2700000111.6L108 D109 L110 A148 V150S106-L108 PolarHBondContact O-N 2.6Å; S106-L108 PolarHBondContact OG-N 3.29Å; S106-D109 WeakPolarHBondContact CB-OD2 3.06Å; S106-D109 PolarHBondContact N-OD2 3.5Å; S106-D109 WeakPolarHBondContact O-CB 3.19Å; S106-D109 PolarHBondContact O-N 2.85Å; S106-D109 VanDerWaalsContact O-N 3.1Å; S106-D109 PolarHBondContact OG-N 3.43Å; S106-D109 VanDerWaalsContact OG-N 3.09Å; S106-D109 PolarHBondContact OG-OD2 3.44Å; S106-L110 WeakPolarHBondContact O-CG 3.28Å; S106-L110 PolarHBondContact O-N 3.12Å; S106-L110 VanDerWaalsContact O-N 3.15Å; S106-A148 WeakPolarHBondContact CB-O 3.46Å; S106-V150 CarbonylContact C-O 3.4Å; S106-V150 VanDerWaalsContact CA-O 3.29Å; S106-V150 WeakPolarHBondContact CA-O 3.33Å
107A98.1Very high95.9Very high1 Ų127 Ų271%0.00816%0.164CC..THydrogen-bonded Turntrans-62.7-25.517300000111.7L110 A147 V150 L152 L212A107-L110 PolarHBondContact O-N 2.65Å; A107-A147 HydrophobicContact CB-CB 4.12Å; A107-A147 PolarHBondContact N-O 3.47Å; A107-V150 HydrophobicContact CB-CB 3.99Å; A107-V150 HydrophobicContact CB-CG1 4.03Å; A107-V150 PolarHBondContact N-O 2.88Å; A107-L152 HydrophobicContact CB-CD1 4.18Å; A107-L212 HydrophobicContact CB-CD2 3.95Å
108L96.6Very high96.1Very high45 Ų4528.9 Ų28.924%0.23617%0.173CC..THydrogen-bonded Turntrans-66.2-45.5171.2-176.762.5000111.6S106 L110 L111 A147 A148 T328S106-L108 PolarHBondContact O-N 2.6Å; S106-L108 PolarHBondContact OG-N 3.29Å; L108-L110 PolarHBondContact O-N 2.84Å; L108-L111 HydrophobicContact CD1-CD1 4.31Å; L108-L111 WeakPolarHBondContact O-CB 3.34Å; L108-L111 PolarHBondContact O-N 3.44Å; L108-L111 VanDerWaalsContact O-N 3.1Å; L108-A147 HydrophobicContact CB-CB 4.04Å; L108-A147 PolarHBondContact N-O 3.41Å; L108-A148 HydrophobicContact CB-CB 4.34Å; L108-A148 HydrophobicContact CD2-CB 3.91Å; L108-T328 HydrophobicContact CD2-CG2 4.31Å
109D96.2Very high96.3Very high48 Ų4830.1 Ų30.126%0.25718%0.18SC..G310 helixtrans-59.1-39.1176-60-48.7000111.4S106 L111 E112 Y291S106-D109 WeakPolarHBondContact CB-OD2 3.06Å; S106-D109 PolarHBondContact N-OD2 3.5Å; S106-D109 WeakPolarHBondContact O-CB 3.19Å; S106-D109 PolarHBondContact O-N 2.85Å; S106-D109 VanDerWaalsContact O-N 3.1Å; S106-D109 PolarHBondContact OG-N 3.43Å; S106-D109 VanDerWaalsContact OG-N 3.09Å; S106-D109 PolarHBondContact OG-OD2 3.44Å; D109-L111 PolarHBondContact O-N 3.25Å; D109-E112 WeakPolarHBondContact O-CB 3.23Å; D109-E112 WeakPolarHBondContact O-CG 3.42Å; D109-E112 PolarHBondContact O-N 3.16Å; D109-E112 VanDerWaalsContact O-N 3.09Å; D109-Y291 HydrophobicContact CB-CE1 4.17Å; D109-Y291 HydrophobicContact CB-CE2 3.92Å; D109-Y291 VanDerWaalsContact O-CD2 3.24Å; D109-Y291 WeakPolarHBondContact O-CD2 3.08Å; D109-Y291 WeakPolarHBondContact O-CE2 3.45Å
110L97Very high96.5Very high0 Ų030.3 Ų30.30%018%0.181CC..G310 helixtrans-69.2-10.3-179.7-62-174.2000114.1S106 A107 L108 L152 L287 I288 Y291S106-L110 WeakPolarHBondContact O-CG 3.28Å; S106-L110 PolarHBondContact O-N 3.12Å; S106-L110 VanDerWaalsContact O-N 3.15Å; A107-L110 PolarHBondContact O-N 2.65Å; L108-L110 PolarHBondContact O-N 2.84Å; L110-L152 HydrophobicContact CD1-CD1 3.63Å; L110-L152 HydrophobicContact CD1-CD2 3.63Å; L110-L152 HydrophobicContact CD1-CG 4.15Å; L110-L152 HydrophobicContact CG-CD1 4.49Å; L110-L287 HydrophobicContact CB-CD2 4.03Å; L110-L287 HydrophobicContact CB-CG 4.1Å; L110-L287 HydrophobicContact CD1-CD2 3.88Å; L110-L287 HydrophobicContact CD1-CG 4.11Å; L110-L287 HydrophobicContact CG-CG 4.49Å; L110-I288 HydrophobicContact CD1-CG1 4.12Å; L110-I288 HydrophobicContact CD2-CG1 4.28Å; L110-Y291 HydrophobicContact CD2-CD1 4Å; L110-Y291 HydrophobicContact CD2-CG 3.82Å
111L96.8Very high96.7Very high19 Ų1928.3 Ų28.310%0.09917%0.172CC..G310 helixtrans-83-20.9172.1-71.2162.2000112.7L108 D109 G114 L116 L212L108-L111 HydrophobicContact CD1-CD1 4.31Å; L108-L111 WeakPolarHBondContact O-CB 3.34Å; L108-L111 PolarHBondContact O-N 3.44Å; L108-L111 VanDerWaalsContact O-N 3.1Å; D109-L111 PolarHBondContact O-N 3.25Å; L111-G114 CarbonylContact O-C 3.36Å; L111-G114 WeakPolarHBondContact O-CA 3.49Å; L111-G114 PolarHBondContact O-N 3.32Å; L111-L116 HydrophobicContact CD2-CD1 3.93Å; L111-L116 HydrophobicContact CD2-CD2 4.39Å; L111-L116 HydrophobicContact CD2-CG 3.65Å; L111-L212 HydrophobicContact CD1-CD2 4.48Å
112E95.4Very high96.8Very high65 Ų6525.1 Ų25.130%0.30416%0.159SC..THydrogen-bonded Turntrans-58.9-40.9-175.9-60.9-171.1142.600113.8D109 G114 Y291 W294 K330D109-E112 WeakPolarHBondContact O-CB 3.23Å; D109-E112 WeakPolarHBondContact O-CG 3.42Å; D109-E112 PolarHBondContact O-N 3.16Å; D109-E112 VanDerWaalsContact O-N 3.09Å; E112-G114 PolarHBondContact O-N 2.75Å; E112-G114 VanDerWaalsContact O-N 3.09Å; E112-Y291 WeakPolarHBondContact OE2-CE2 3.41Å; E112-W294 HydrophobicContact CB-CE3 4.24Å; E112-W294 HydrophobicContact CB-CH2 3.74Å; E112-W294 HydrophobicContact CB-CZ2 4.17Å; E112-W294 HydrophobicContact CB-CZ3 3.78Å; E112-W294 HydrophobicContact CG-CH2 4.43Å; E112-W294 HydrophobicContact CG-CZ3 4.5Å; E112-W294 WeakPolarHBondContact OE2-CH2 3.33Å; E112-W294 WeakPolarHBondContact OE2-CZ3 3.24Å; E112-K330 IonicContact OE1-NZ 2.73Å; E112-K330 PolarHBondContact OE1-NZ 3.38Å
113P94.6Very high96.9Very high21 Ų2124.5 Ų24.514%0.13616%0.156CC..THydrogen-bonded Turntrans-72.51.6176.3-16.332.2000114.1K290 Y291 W294P113-K290 HydrophobicContact CB-CD 4.1Å; P113-K290 HydrophobicContact CB-CG 4.09Å; P113-K290 WeakPolarHBondContact O-CE 3.36Å; P113-K290 PolarHBondContact O-NZ 3.3Å; P113-Y291 HydrophobicContact CG-CD2 3.95Å; P113-W294 HydrophobicContact CB-CB 4.02Å; P113-W294 HydrophobicContact CB-CG 3.98Å; P113-W294 HydrophobicContact CG-CB 3.93Å; P113-W294 HydrophobicContact CG-CD2 4.21Å; P113-W294 HydrophobicContact CG-CE3 4.42Å; P113-W294 HydrophobicContact CG-CG 4Å
114G93.9Very high97.1Very high30 Ų3023.9 Ų23.931%0.30915%0.149SC..SBendtrans121.2173.4178.300000114.3L111 E112L111-G114 CarbonylContact O-C 3.36Å; L111-G114 WeakPolarHBondContact O-CA 3.49Å; L111-G114 PolarHBondContact O-N 3.32Å; E112-G114 PolarHBondContact O-N 2.75Å; E112-G114 VanDerWaalsContact O-N 3.09Å
115A94.4Very high97.2Very high82 Ų8223.8 Ų23.868%0.67815%0.148SC*.PPolyproline II helixtrans-57146.9-172.100000114.3
116L97.9Very high97.3Very high12 Ų1224.8 Ų24.86%0.06315%0.147CC..PPolyproline II helixtrans-84.2148.6176.1-55.4-175.8000111.6L111 Q120 I121 I124 L212 L287L111-L116 HydrophobicContact CD2-CD1 3.93Å; L111-L116 HydrophobicContact CD2-CD2 4.39Å; L111-L116 HydrophobicContact CD2-CG 3.65Å; L116-Q120 HydrophobicContact CB-CB 4.22Å; L116-I121 HydrophobicContact CB-CD1 4.25Å; L116-I121 HydrophobicContact CB-CG1 3.78Å; L116-I121 HydrophobicContact CD1-CG1 4.38Å; L116-I124 HydrophobicContact CD1-CD1 4.07Å; L116-L212 HydrophobicContact CD1-CD2 4.08Å; L116-L287 HydrophobicContact CD2-CD1 3.55Å; L116-L287 HydrophobicContact CD2-CD2 3.54Å; L116-L287 HydrophobicContact CD2-CG 4.18Å
117D97.5Very high97.4Very high62 Ų6224.8 Ų24.833%0.33215%0.146SC..PPolyproline II helixtrans-79.1160.7168.175.741.8000111.6T119 Q120 I121D117-T119 PolarHBondContact O-N 2.91Å; D117-T119 VanDerWaalsContact O-N 3.16Å; D117-T119 VanDerWaalsContact OD1-CA 3.26Å; D117-T119 WeakPolarHBondContact OD1-CA 3.28Å; D117-T119 WeakPolarHBondContact OD1-CB 3.47Å; D117-T119 PolarHBondContact OD1-N 3.43Å; D117-Q120 WeakPolarHBondContact O-CB 3.32Å; D117-Q120 PolarHBondContact O-N 3.06Å; D117-Q120 VanDerWaalsContact O-N 3.13Å; D117-Q120 WeakPolarHBondContact OD1-CG 3.41Å; D117-Q120 PolarHBondContact OD1-N 2.98Å; D117-I121 WeakPolarHBondContact O-CG1 3.45Å; D117-I121 PolarHBondContact O-N 3.44Å
118E98.4Very high97.5Very high40 Ų4024.8 Ų24.819%0.18715%0.146CC..Hα-helixtrans-64.1-21.9-178.7-73-166.4-149.400114A122 S244 L247 F273E118-A122 WeakPolarHBondContact O-CB 3.47Å; E118-A122 PolarHBondContact O-N 3.28Å; E118-S244 WeakPolarHBondContact OE1-CB 3.31Å; E118-S244 PolarHBondContact OE1-N 2.86Å; E118-S244 WeakPolarHBondContact OE2-CB 3.38Å; E118-S244 PolarHBondContact OE2-OG 3.1Å; E118-L247 HydrophobicContact CG-CD2 4.1Å; E118-F273 HydrophobicContact CB-CE2 4.11Å; E118-F273 HydrophobicContact CB-CZ 4.37Å; E118-F273 HydrophobicContact CG-CE2 4.42Å; E118-F273 WeakPolarHBondContact OE2-CE2 3.48Å
119T98.6Very high97.6Very high26 Ų2622.7 Ų22.716%0.1613%0.134CC..Hα-helixtrans-71.4-43.8174.4-65.70000110.5D117 T123 H277 K279 Y283D117-T119 PolarHBondContact O-N 2.91Å; D117-T119 VanDerWaalsContact O-N 3.16Å; D117-T119 VanDerWaalsContact OD1-CA 3.26Å; D117-T119 WeakPolarHBondContact OD1-CA 3.28Å; D117-T119 WeakPolarHBondContact OD1-CB 3.47Å; D117-T119 PolarHBondContact OD1-N 3.43Å; T119-T123 VanDerWaalsContact O-CB 3.29Å; T119-T123 WeakPolarHBondContact O-CB 3.15Å; T119-T123 PolarHBondContact O-N 3.18Å; T119-T123 PolarHBondContact O-OG1 3.25Å; T119-H277 WeakPolarHBondContact CG2-O 3.44Å; T119-K279 HydrophobicContact CG2-CB 4.05Å; T119-K279 HydrophobicContact CG2-CD 3.51Å; T119-K279 HydrophobicContact CG2-CG 3.63Å; T119-Y283 HydrophobicContact CG2-CD1 3.96Å; T119-Y283 HydrophobicContact CG2-CE1 3.74Å
120Q98.6Very high97.7Very high22 Ų2224.7 Ų24.710%0.10314%0.138CC..Hα-helixtrans-62.5-49.8175-67.9167.2-23.500110L116 D117 A122 T123 I124 Y283 L284L116-Q120 HydrophobicContact CB-CB 4.22Å; D117-Q120 WeakPolarHBondContact O-CB 3.32Å; D117-Q120 PolarHBondContact O-N 3.06Å; D117-Q120 VanDerWaalsContact O-N 3.13Å; D117-Q120 WeakPolarHBondContact OD1-CG 3.41Å; D117-Q120 PolarHBondContact OD1-N 2.98Å; Q120-A122 PolarHBondContact O-N 3.43Å; Q120-T123 PolarHBondContact O-N 3Å; Q120-I124 WeakPolarHBondContact O-CG1 3.37Å; Q120-I124 PolarHBondContact O-N 3.25Å; Q120-Y283 HydrophobicContact CG-CD1 4.37Å; Q120-Y283 HydrophobicContact CG-CE1 4Å; Q120-L284 HydrophobicContact CB-CD2 4.22Å; Q120-L284 HydrophobicContact CG-CD2 4.25Å
121I98.8Very high97.7Very high0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-56.7-51.6177.1-63.1166.8000110.6L116 D117 T123 I124 L125 L212 A213 L247 F273L116-I121 HydrophobicContact CB-CD1 4.25Å; L116-I121 HydrophobicContact CB-CG1 3.78Å; L116-I121 HydrophobicContact CD1-CG1 4.38Å; D117-I121 WeakPolarHBondContact O-CG1 3.45Å; D117-I121 PolarHBondContact O-N 3.44Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 3.1Å; I121-I124 PolarHBondContact O-N 3.22Å; I121-L125 HydrophobicContact CG2-CD1 3.67Å; I121-L125 HydrophobicContact CG2-CG 4.27Å; I121-L125 WeakPolarHBondContact O-CB 3.47Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.01Å; I121-L125 PolarHBondContact O-N 3.06Å; I121-L212 HydrophobicContact CG1-CB 4.27Å; I121-L212 HydrophobicContact CG2-CB 4.36Å; I121-A213 HydrophobicContact CD1-CB 4.07Å; I121-L247 HydrophobicContact CD1-CD2 4.48Å; I121-L247 HydrophobicContact CG2-CD1 4.37Å; I121-F273 HydrophobicContact CG2-CE1 4.34Å; I121-F273 HydrophobicContact CG2-CZ 4.26Å
122A98.8Very high97.8Very high0 Ų023.8 Ų23.80%013%0.134CC..Hα-helixtrans-62.2-36.1179.400000112.9E118 Q120 R126 F273 H277 A278E118-A122 WeakPolarHBondContact O-CB 3.47Å; E118-A122 PolarHBondContact O-N 3.28Å; Q120-A122 PolarHBondContact O-N 3.43Å; A122-R126 WeakPolarHBondContact O-CB 3.28Å; A122-R126 PolarHBondContact O-N 2.81Å; A122-F273 HydrophobicContact CB-CD1 4.28Å; A122-F273 HydrophobicContact CB-CE1 3.61Å; A122-F273 HydrophobicContact CB-CE2 4.33Å; A122-F273 HydrophobicContact CB-CZ 3.64Å; A122-H277 HydrophobicContact CB-CB 3.58Å; A122-A278 HydrophobicContact CB-CB 4.07Å
123T98.9Very high97.9Very high0 Ų023.7 Ų23.70%013%0.133CC..Hα-helixtrans-68.5-45.5179.2-570000110.9T119 Q120 I121 R126 E127 K279 T281 L284T119-T123 VanDerWaalsContact O-CB 3.29Å; T119-T123 WeakPolarHBondContact O-CB 3.15Å; T119-T123 PolarHBondContact O-N 3.18Å; T119-T123 PolarHBondContact O-OG1 3.25Å; Q120-T123 PolarHBondContact O-N 3Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 3.1Å; T123-R126 PolarHBondContact O-N 3.11Å; T123-E127 PolarHBondContact O-N 2.93Å; T123-K279 PolarHBondContact OG1-N 2.78Å; T123-T281 HydrophobicContact CG2-CG2 4.47Å; T123-L284 HydrophobicContact CG2-CD1 3.95Å; T123-L284 HydrophobicContact CG2-CD2 4.36Å; T123-L284 HydrophobicContact CG2-CG 4.09Å
124I98.9Very high98.1Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-63-50176.1-67.5167.9000110.4L116 Q120 I121 R126 E127 I128 V150 V158 L212 L284L116-I124 HydrophobicContact CD1-CD1 4.07Å; Q120-I124 WeakPolarHBondContact O-CG1 3.37Å; Q120-I124 PolarHBondContact O-N 3.25Å; I121-I124 PolarHBondContact O-N 3.22Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 PolarHBondContact O-N 2.91Å; I124-E127 PolarHBondContact O-N 3.32Å; I124-E127 VanDerWaalsContact O-N 3.11Å; I124-I128 HydrophobicContact CG2-CD1 3.78Å; I124-I128 HydrophobicContact CG2-CG1 4.38Å; I124-I128 WeakPolarHBondContact O-CG1 3.37Å; I124-I128 PolarHBondContact O-N 2.83Å; I124-V150 HydrophobicContact CG2-CG1 4.06Å; I124-V158 HydrophobicContact CG2-CG1 4.47Å; I124-L212 HydrophobicContact CB-CD1 4.45Å; I124-L212 HydrophobicContact CG2-CD1 3.89Å; I124-L284 HydrophobicContact CD1-CD2 4.46Å; I124-L284 HydrophobicContact CG1-CD1 3.86Å; I124-L284 HydrophobicContact CG1-CD2 4.19Å
125L98.9Very high98.1Very high0 Ų023.4 Ų23.40%012%0.12CC..Hα-helixtrans-60-36179.4-70.9174.1000112.6I121 I128 L129 L205 A209 L212 F250 F273 I274I121-L125 HydrophobicContact CG2-CD1 3.67Å; I121-L125 HydrophobicContact CG2-CG 4.27Å; I121-L125 WeakPolarHBondContact O-CB 3.47Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.01Å; I121-L125 PolarHBondContact O-N 3.06Å; L125-I128 HydrophobicContact CD2-CD1 4.34Å; L125-I128 PolarHBondContact O-N 2.62Å; L125-L129 VanDerWaalsContact O-CB 3.31Å; L125-L129 WeakPolarHBondContact O-CB 3.2Å; L125-L129 WeakPolarHBondContact O-CD1 3.16Å; L125-L129 WeakPolarHBondContact O-CG 3.2Å; L125-L129 PolarHBondContact O-N 3.25Å; L125-L205 HydrophobicContact CD2-CD1 3.56Å; L125-L205 HydrophobicContact CD2-CG 4.4Å; L125-A209 HydrophobicContact CD1-CB 3.85Å; L125-A209 HydrophobicContact CD2-CB 4.03Å; L125-L212 HydrophobicContact CD2-CD1 4.03Å; L125-L212 HydrophobicContact CG-CD1 4.2Å; L125-F250 HydrophobicContact CD1-CD1 4.33Å; L125-F250 HydrophobicContact CD1-CE1 3.86Å; L125-F250 HydrophobicContact CD1-CZ 4.35Å; L125-F273 HydrophobicContact CD1-CE1 4.07Å; L125-I274 HydrophobicContact CB-CD1 3.89Å
126R98.9Very high98.1Very high39 Ų3921 Ų2115%0.14710%0.095CC..Hα-helixtrans-61.6-43.6175.7-171.8-174.467.6-144.6-12.4111.8A122 T123 I124 L129 R130 L269 I274 A278 K279A122-R126 WeakPolarHBondContact O-CB 3.28Å; A122-R126 PolarHBondContact O-N 2.81Å; T123-R126 PolarHBondContact O-N 3.11Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 PolarHBondContact O-N 2.91Å; R126-L129 PolarHBondContact O-N 2.91Å; R126-R130 WeakPolarHBondContact O-CG 3.24Å; R126-R130 PolarHBondContact O-N 3.18Å; R126-R130 VanDerWaalsContact O-N 3.1Å; R126-L269 HydrophobicContact CG-CD2 3.87Å; R126-L269 WeakPolarHBondContact O-CD2 3.29Å; R126-I274 HydrophobicContact CB-CG2 3.83Å; R126-I274 HydrophobicContact CG-CG2 3.74Å; R126-A278 HydrophobicContact CB-CB 4.2Å; R126-K279 PolarHBondContact NH1-O 3.43Å; R126-K279 PolarHBondContact NH2-O 3.35Å
127E98.8Very high98Very high9 Ų924.3 Ų24.34%0.04212%0.119CC..Hα-helixtrans-73.3-37.1-179.7-57.7-43.7113.400111.7F81 T123 I124 L129 R130 G131 V158 T281F81-E127 WeakPolarHBondContact CE1-OE2 3.28Å; T123-E127 PolarHBondContact O-N 2.93Å; I124-E127 PolarHBondContact O-N 3.32Å; I124-E127 VanDerWaalsContact O-N 3.11Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.28Å; E127-R130 WeakPolarHBondContact O-CB 3.4Å; E127-R130 PolarHBondContact O-N 3.2Å; E127-R130 IonicContact OE1-CZ 3.83Å; E127-R130 IonicContact OE1-NH1 3.67Å; E127-R130 PolarHBondContact OE1-NH1 2.83Å; E127-R130 VanDerWaalsContact OE1-NH1 3.13Å; E127-R130 IonicContact OE2-CZ 2.88Å; E127-R130 IonicContact OE2-NH1 2.77Å; E127-R130 PolarHBondContact OE2-NH1 3.43Å; E127-G131 PolarHBondContact O-N 2.72Å; E127-V158 HydrophobicContact CB-CB 3.58Å; E127-V158 HydrophobicContact CB-CG1 4.01Å; E127-V158 HydrophobicContact CB-CG2 4.23Å; E127-V158 HydrophobicContact CG-CB 3.96Å; E127-V158 HydrophobicContact CG-CG2 4.16Å; E127-T281 HydrophobicContact CG-CG2 3.73Å
128I98.8Very high97.7Very high1 Ų126 Ų261%0.00513%0.125CC..Hα-helixtrans-56.6-47.7169.8-65.7166.8000110.3I124 L125 R130 G131 L132 V150 L160 L205I124-I128 HydrophobicContact CG2-CD1 3.78Å; I124-I128 HydrophobicContact CG2-CG1 4.38Å; I124-I128 WeakPolarHBondContact O-CG1 3.37Å; I124-I128 PolarHBondContact O-N 2.83Å; L125-I128 HydrophobicContact CD2-CD1 4.34Å; L125-I128 PolarHBondContact O-N 2.62Å; I128-R130 VanDerWaalsContact C-N 3.28Å; I128-R130 PolarHBondContact O-N 3.45Å; I128-G131 CarbonylContact O-C 3.55Å; I128-G131 WeakPolarHBondContact O-CA 3.42Å; I128-G131 PolarHBondContact O-N 3.39Å; I128-G131 VanDerWaalsContact O-N 3.08Å; I128-L132 HydrophobicContact CG2-CD1 4.07Å; I128-L132 HydrophobicContact CG2-CG 4.26Å; I128-L132 WeakPolarHBondContact O-CG 3.43Å; I128-L132 PolarHBondContact O-N 2.98Å; I128-V150 HydrophobicContact CD1-CB 4.44Å; I128-V150 HydrophobicContact CD1-CG1 4Å; I128-V150 HydrophobicContact CD1-CG2 3.61Å; I128-V150 HydrophobicContact CG1-CG1 3.94Å; I128-V150 HydrophobicContact CG1-CG2 3.86Å; I128-L160 HydrophobicContact CG1-CD2 4.29Å; I128-L160 HydrophobicContact CG2-CD2 4.12Å; I128-L205 HydrophobicContact CB-CD1 4.22Å; I128-L205 HydrophobicContact CD1-CD1 4.46Å; I128-L205 HydrophobicContact CG2-CD1 3.53Å
129L98.9Very high97.2Very high0 Ų033.5 Ų33.50%016%0.157CC..Hα-helixtrans-60.2-34.9178.3-79.9168.2000113L125 R126 E127 L132 E133 L205 F250 A265 L268 L269 I274L125-L129 VanDerWaalsContact O-CB 3.31Å; L125-L129 WeakPolarHBondContact O-CB 3.2Å; L125-L129 WeakPolarHBondContact O-CD1 3.16Å; L125-L129 WeakPolarHBondContact O-CG 3.2Å; L125-L129 PolarHBondContact O-N 3.25Å; R126-L129 PolarHBondContact O-N 2.91Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.28Å; L129-L132 PolarHBondContact O-N 3.41Å; L129-E133 WeakPolarHBondContact O-CB 3.4Å; L129-E133 PolarHBondContact O-N 2.92Å; L129-L205 HydrophobicContact CD2-CD2 3.36Å; L129-L205 HydrophobicContact CG-CD2 3.86Å; L129-F250 HydrophobicContact CD1-CE2 4.09Å; L129-F250 HydrophobicContact CD1-CZ 4.05Å; L129-A265 HydrophobicContact CD2-CB 3.99Å; L129-L268 HydrophobicContact CD1-CB 3.83Å; L129-L268 HydrophobicContact CD2-CB 3.54Å; L129-L268 HydrophobicContact CD2-CD1 3.88Å; L129-L268 HydrophobicContact CD2-CG 4.38Å; L129-L268 HydrophobicContact CG-CB 4.36Å; L129-L269 HydrophobicContact CB-CD2 3.56Å; L129-L269 HydrophobicContact CB-CG 3.86Å; L129-L269 HydrophobicContact CD1-CD2 4.24Å; L129-L269 HydrophobicContact CD1-CG 4.48Å; L129-I274 HydrophobicContact CD1-CD1 4.29Å; L129-I274 HydrophobicContact CD1-CG1 4.12Å
130R98.8Very high96.7Very high90 Ų9033.5 Ų33.534%0.3416%0.155SC..Hα-helixtrans-68.4-39.1173.6-70.9170.1169.6-177.7-8.2111.9F81 R126 E127 I128 Y134 L269F81-R130 HydrophobicContact CD1-CB 3.94Å; F81-R130 HydrophobicContact CD2-CB 3.63Å; F81-R130 HydrophobicContact CE1-CB 4.04Å; F81-R130 HydrophobicContact CE1-CG 4.49Å; F81-R130 HydrophobicContact CE2-CB 3.7Å; F81-R130 HydrophobicContact CE2-CG 4.36Å; F81-R130 HydrophobicContact CG-CB 3.76Å; F81-R130 HydrophobicContact CZ-CB 3.93Å; F81-R130 VanDerWaalsContact CZ-CD 3.5Å; F81-R130 HydrophobicContact CZ-CG 4.27Å; R126-R130 WeakPolarHBondContact O-CG 3.24Å; R126-R130 PolarHBondContact O-N 3.18Å; R126-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 WeakPolarHBondContact O-CB 3.4Å; E127-R130 PolarHBondContact O-N 3.2Å; E127-R130 IonicContact OE1-CZ 3.83Å; E127-R130 IonicContact OE1-NH1 3.67Å; E127-R130 PolarHBondContact OE1-NH1 2.83Å; E127-R130 VanDerWaalsContact OE1-NH1 3.13Å; E127-R130 IonicContact OE2-CZ 2.88Å; E127-R130 IonicContact OE2-NH1 2.77Å; E127-R130 PolarHBondContact OE2-NH1 3.43Å; I128-R130 VanDerWaalsContact C-N 3.28Å; I128-R130 PolarHBondContact O-N 3.45Å; R130-Y134 PolarHBondContact O-N 3.49Å; R130-Y134 VanDerWaalsContact O-N 3.11Å; R130-L269 HydrophobicContact CG-CD1 4.28Å; R130-L269 HydrophobicContact CG-CD2 3.98Å
131G98.2Very high96.2Very high0 Ų033.3 Ų33.30%015%0.154CC..Hα-helixtrans-60.4-48171.100000112E127 I128 Y134 L135E127-G131 PolarHBondContact O-N 2.72Å; I128-G131 CarbonylContact O-C 3.55Å; I128-G131 WeakPolarHBondContact O-CA 3.42Å; I128-G131 PolarHBondContact O-N 3.39Å; I128-G131 VanDerWaalsContact O-N 3.08Å; G131-Y134 WeakPolarHBondContact O-CB 3.07Å; G131-Y134 PolarHBondContact O-N 3.49Å; G131-L135 WeakPolarHBondContact O-CG 3.45Å; G131-L135 PolarHBondContact O-N 2.84Å
132L97.9Very high95.7Very high0 Ų033.3 Ų33.30%015%0.154CC..Hα-helixtrans-65.2-42.4177.5-68.8-179.4000112.6I128 L129 Y134 L135 H136 H142 I145 L160 D201 I202 L205 A265I128-L132 HydrophobicContact CG2-CD1 4.07Å; I128-L132 HydrophobicContact CG2-CG 4.26Å; I128-L132 WeakPolarHBondContact O-CG 3.43Å; I128-L132 PolarHBondContact O-N 2.98Å; L129-L132 PolarHBondContact O-N 3.41Å; L132-Y134 VanDerWaalsContact C-N 3.29Å; L132-Y134 PolarHBondContact O-N 2.86Å; L132-L135 PolarHBondContact O-N 3.23Å; L132-H136 VanDerWaalsContact O-CB 3.24Å; L132-H136 WeakPolarHBondContact O-CB 3.48Å; L132-H136 PolarHBondContact O-CD2 2.95Å; L132-H136 VanDerWaalsContact O-CD2 3.31Å; L132-H136 PolarHBondContact O-N 2.8Å; L132-H142 HydrophobicContact CD2-CB 4.34Å; L132-I145 HydrophobicContact CD2-CD1 3.79Å; L132-I145 HydrophobicContact CD2-CG1 4.07Å; L132-L160 HydrophobicContact CD2-CD1 4.12Å; L132-L160 HydrophobicContact CG-CD1 4.32Å; L132-D201 HydrophobicContact CD1-CB 4.34Å; L132-D201 HydrophobicContact CD2-CB 3.87Å; L132-I202 HydrophobicContact CD1-CD1 4.5Å; L132-L205 HydrophobicContact CD1-CB 4.36Å; L132-L205 HydrophobicContact CD1-CD2 4.22Å; L132-A265 HydrophobicContact CB-CB 3.87Å
133E98.4Very high95.2Very high64 Ų6435.4 Ų35.430%0.29916%0.162SC..Hα-helixtrans-56.5-45.3175-178.9-178.8-144.700111.1L129 S137 A265 K266 L269L129-E133 WeakPolarHBondContact O-CB 3.4Å; L129-E133 PolarHBondContact O-N 2.92Å; E133-S137 WeakPolarHBondContact O-CB 3.49Å; E133-S137 PolarHBondContact O-N 2.82Å; E133-S137 PolarHBondContact O-OG 2.83Å; E133-A265 HydrophobicContact CB-CB 4.18Å; E133-K266 HydrophobicContact CG-CB 4.31Å; E133-K266 WeakPolarHBondContact OE1-CB 3.45Å; E133-K266 VanDerWaalsContact OE1-CD 3.32Å; E133-K266 WeakPolarHBondContact OE1-CD 3.35Å; E133-K266 WeakPolarHBondContact OE1-CG 3.44Å; E133-L269 WeakPolarHBondContact OE2-CD1 3.2Å
134Y97.6Very high94.7Very high44 Ų4436 Ų3617%0.17317%0.165CC..Hα-helixtrans-59.7-55.6175.2169.2-101.4000111.4C77 D78 S79 I82 R130 G131 L132 H136 S137 E138C77-Y134 WeakPolarHBondContact CA-OH 3.37Å; C77-Y134 HydrophobicContact CB-CE1 4.29Å; D78-Y134 PolarHBondContact N-OH 2.89Å; S79-Y134 VanDerWaalsContact CB-CD1 3.49Å; I82-Y134 HydrophobicContact CG1-CD1 3.85Å; I82-Y134 HydrophobicContact CG1-CE1 4.08Å; R130-Y134 PolarHBondContact O-N 3.49Å; R130-Y134 VanDerWaalsContact O-N 3.11Å; G131-Y134 WeakPolarHBondContact O-CB 3.07Å; G131-Y134 PolarHBondContact O-N 3.49Å; L132-Y134 VanDerWaalsContact C-N 3.29Å; L132-Y134 PolarHBondContact O-N 2.86Å; Y134-H136 VanDerWaalsContact C-N 3.33Å; Y134-H136 PolarHBondContact O-N 3.23Å; Y134-S137 PolarHBondContact O-N 3.25Å; Y134-S137 PolarHBondContact O-OG 3.33Å; Y134-E138 HydrophobicContact CD2-CG 4.44Å; Y134-E138 HydrophobicContact CE2-CG 3.99Å; Y134-E138 PolarHBondContact O-N 3.05Å; Y134-E138 VanDerWaalsContact O-N 3.1Å
135L94.4Very high94.5Very high0 Ų036 Ų360%017%0.166CC..Hα-helixtrans-58.5-45.6-178-68.6175.8000112.2I82 G131 L132 S137 E138 K139 K140 H142 L160 F163I82-L135 HydrophobicContact CD1-CD1 3.81Å; I82-L135 HydrophobicContact CD1-CD2 4.02Å; I82-L135 HydrophobicContact CD1-CG 3.85Å; I82-L135 HydrophobicContact CG1-CD2 4.31Å; G131-L135 WeakPolarHBondContact O-CG 3.45Å; G131-L135 PolarHBondContact O-N 2.84Å; L132-L135 PolarHBondContact O-N 3.23Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 2.83Å; L135-E138 CarbonylContact O-C 3.21Å; L135-E138 WeakPolarHBondContact O-CA 3.32Å; L135-E138 PolarHBondContact O-N 3.34Å; L135-E138 VanDerWaalsContact O-N 3.07Å; L135-K139 PolarHBondContact O-N 3.11Å; L135-K140 CarbonylContact C-O 3.37Å; L135-K140 HydrophobicContact CB-CB 4.26Å; L135-K140 HydrophobicContact CD2-CB 4.18Å; L135-K140 HydrophobicContact CD2-CD 4.2Å; L135-K140 PolarHBondContact O-N 2.82Å; L135-H142 HydrophobicContact CD1-CB 4.11Å; L135-L160 HydrophobicContact CD1-CD1 4.2Å; L135-F163 HydrophobicContact CD1-CE1 3.62Å; L135-F163 HydrophobicContact CD1-CZ 4.17Å; L135-F163 HydrophobicContact CD2-CE1 3.55Å; L135-F163 HydrophobicContact CD2-CZ 3.87Å; L135-F163 HydrophobicContact CG-CE1 4.23Å
136H94.6Very high94.3Very high33 Ų3336.7 Ų36.715%0.15317%0.168CC..Hα-helixtrans-66.5-34.6-178.6-62178.5000111.6L132 Y134 E138 K139 K140 S198 D201L132-H136 VanDerWaalsContact O-CB 3.24Å; L132-H136 WeakPolarHBondContact O-CB 3.48Å; L132-H136 PolarHBondContact O-CD2 2.95Å; L132-H136 VanDerWaalsContact O-CD2 3.31Å; L132-H136 PolarHBondContact O-N 2.8Å; Y134-H136 VanDerWaalsContact C-N 3.33Å; Y134-H136 PolarHBondContact O-N 3.23Å; H136-E138 VanDerWaalsContact C-N 3.27Å; H136-E138 PolarHBondContact O-N 2.77Å; H136-K139 PolarHBondContact O-N 2.83Å; H136-K139 VanDerWaalsContact O-N 3.16Å; H136-K140 PolarHBondContact CD2-O 2.96Å; H136-S198 VanDerWaalsContact CD2-CB 3.5Å; H136-S198 WeakPolarHBondContact CD2-CB 3.49Å; H136-S198 PolarHBondContact CE1-O 3.4Å; H136-S198 VanDerWaalsContact CE1-O 3.24Å; H136-S198 VanDerWaalsContact CG-CB 3.49Å; H136-D201 IonicContact CD2-OD2 2.89Å; H136-D201 IonicContact CE1-OD2 3.26Å; H136-D201 IonicContact NE2-OD2 2.75Å; H136-D201 PolarHBondContact NE2-OD2 3.43Å
137S95.1Very high94.2Very high81 Ų8134.8 Ų34.857%0.56616%0.161SC*.Hα-helixtrans-66-30.9172.773.50000113E133 Y134 L135 K139E133-S137 WeakPolarHBondContact O-CB 3.49Å; E133-S137 PolarHBondContact O-N 2.82Å; E133-S137 PolarHBondContact O-OG 2.83Å; Y134-S137 PolarHBondContact O-N 3.25Å; Y134-S137 PolarHBondContact O-OG 3.33Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 2.83Å; S137-K139 PolarHBondContact O-N 2.87Å
138E91.5Very high94Very high96 Ų9635.4 Ų35.445%0.44917%0.168SC..THydrogen-bonded Turntrans-85.98.7175.3-68.5-62.9124.800113.1Y134 L135 H136 K140Y134-E138 HydrophobicContact CD2-CG 4.44Å; Y134-E138 HydrophobicContact CE2-CG 3.99Å; Y134-E138 PolarHBondContact O-N 3.05Å; Y134-E138 VanDerWaalsContact O-N 3.1Å; L135-E138 CarbonylContact O-C 3.21Å; L135-E138 WeakPolarHBondContact O-CA 3.32Å; L135-E138 PolarHBondContact O-N 3.34Å; L135-E138 VanDerWaalsContact O-N 3.07Å; H136-E138 VanDerWaalsContact C-N 3.27Å; H136-E138 PolarHBondContact O-N 2.77Å; E138-K140 HydrophobicContact CB-CD 4.17Å; E138-K140 HydrophobicContact CB-CG 4.27Å; E138-K140 PolarHBondContact O-N 2.95Å; E138-K140 IonicContact OE2-NZ 3.32Å
139K88.7Confident93.8Very high198 Ų19835.9 Ų35.986%0.86117%0.17SC*.THydrogen-bonded Turntrans57.229.2-176.4-53.6178.6-178.2177.10113.5L135 H136 S137L135-K139 PolarHBondContact O-N 3.11Å; H136-K139 PolarHBondContact O-N 2.83Å; H136-K139 VanDerWaalsContact O-N 3.16Å; S137-K139 PolarHBondContact O-N 2.87Å
140K86.9Confident93.7Very high26 Ų2635.9 Ų35.911%0.11317%0.171CC..  trans-101.3146174.3-63.9173.6173.8870109.4V73 L135 H136 E138V73-K140 HydrophobicContact CG1-CD 4Å; V73-K140 HydrophobicContact CG1-CG 4.49Å; L135-K140 CarbonylContact C-O 3.37Å; L135-K140 HydrophobicContact CB-CB 4.26Å; L135-K140 HydrophobicContact CD2-CB 4.18Å; L135-K140 HydrophobicContact CD2-CD 4.2Å; L135-K140 PolarHBondContact O-N 2.82Å; H136-K140 PolarHBondContact CD2-O 2.96Å; E138-K140 HydrophobicContact CB-CD 4.17Å; E138-K140 HydrophobicContact CB-CG 4.27Å; E138-K140 PolarHBondContact O-N 2.95Å; E138-K140 IonicContact OE2-NZ 3.32Å
141I87.4Confident93.6Very high18 Ų1833.7 Ų33.79%0.09217%0.165CC..  trans-121.9132.6176.8-52.7171.9000106.7R143 L169 D201I141-R143 HydrophobicContact CB-CG 4.23Å; I141-R143 HydrophobicContact CG2-CG 3.73Å; I141-L169 HydrophobicContact CD1-CD1 4.24Å; I141-D201 WeakPolarHBondContact CG2-OD2 3.05Å
142H90.1Very high93.7Very high0 Ų033.7 Ų33.70%017%0.165CC..  trans-77.5-42.3-175.6-170.2-75.5000112.9L132 L135 D144 I145 A161 D162 F163 D201L132-H142 HydrophobicContact CD2-CB 4.34Å; L135-H142 HydrophobicContact CD1-CB 4.11Å; H142-D144 PolarHBondContact CE1-O 3.44Å; H142-D144 PolarHBondContact ND1-N 3.27Å; H142-D144 PolarHBondContact ND1-O 3Å; H142-D144 PolarHBondContact O-N 3.42Å; H142-I145 HydrophobicContact CB-CD1 3.74Å; H142-I145 HydrophobicContact CB-CG1 3.95Å; H142-I145 WeakPolarHBondContact ND1-CD1 3.37Å; H142-A161 PolarHBondContact CE1-O 3.36Å; H142-A161 PolarHBondContact NE2-O 2.86Å; H142-A161 VanDerWaalsContact NE2-O 3.12Å; H142-D162 PolarHBondContact CE1-O 3.46Å; H142-D162 VanDerWaalsContact CE1-O 3.23Å; H142-F163 AromaticContact CD2-CD1 3.97Å; H142-F163 AromaticContact CD2-CE1 3.95Å; H142-D201 PolarHBondContact N-OD1 3.26Å; H142-D201 PolarHBondContact N-OD2 3.46Å
143R87.3Confident93.7Very high44 Ų4434 Ų3417%0.16617%0.167CC..  trans70.1-19.9175.3-55.2178.2172.4-175.3-7.3117.7I141 V165 G167 Y196 D201I141-R143 HydrophobicContact CB-CG 4.23Å; I141-R143 HydrophobicContact CG2-CG 3.73Å; R143-V165 WeakPolarHBondContact CD-O 3.36Å; R143-V165 PolarHBondContact NH1-O 3.12Å; R143-G167 VanDerWaalsContact NH1-CA 3.31Å; R143-G167 PolarHBondContact NH1-O 3.04Å; R143-G167 PolarHBondContact NH2-O 3.01Å; R143-Y196 HydrophobicContact CG-CE2 4.5Å; R143-Y196 PolarHBondContact NE-OH 2.91Å; R143-Y196 PolarHBondContact NH1-OH 2.72Å; R143-Y196 PolarHBondContact NH2-OH 3.42Å; R143-D201 PolarHBondContact N-OD1 2.68Å
144D88.1Confident93.5Very high13 Ų1335.5 Ų35.57%0.0717%0.174CC..  trans-127.554.4178.3-162.828.2000112.1H142 K146 N149H142-D144 PolarHBondContact CE1-O 3.44Å; H142-D144 PolarHBondContact ND1-N 3.27Å; H142-D144 PolarHBondContact ND1-O 3Å; H142-D144 PolarHBondContact O-N 3.42Å; D144-K146 PolarHBondContact O-N 3.34Å; D144-K146 IonicContact OD1-NZ 3.85Å; D144-K146 PolarHBondContact OD1-NZ 2.97Å; D144-K146 WeakPolarHBondContact OD2-CE 3.42Å; D144-K146 IonicContact OD2-NZ 3.72Å; D144-K146 PolarHBondContact OD2-NZ 3.44Å; D144-N149 VanDerWaalsContact CG-ND2 3.25Å; D144-N149 PolarHBondContact O-ND2 3.3Å; D144-N149 PolarHBondContact OD2-ND2 3.47Å
145I95.1Very high93.5Very high1 Ų138.8 Ų38.81%0.00519%0.191CC..  trans-79.4116175.9-62.2-66.8000109.5L132 H142 L160 W185 D201 T208L132-I145 HydrophobicContact CD2-CD1 3.79Å; L132-I145 HydrophobicContact CD2-CG1 4.07Å; H142-I145 HydrophobicContact CB-CD1 3.74Å; H142-I145 HydrophobicContact CB-CG1 3.95Å; H142-I145 WeakPolarHBondContact ND1-CD1 3.37Å; I145-L160 HydrophobicContact CD1-CD1 3.99Å; I145-L160 HydrophobicContact CD1-CD2 3.81Å; I145-W185 VanDerWaalsContact O-CD1 3.24Å; I145-D201 HydrophobicContact CG1-CB 4.36Å; I145-T208 PolarHBondContact O-OG1 3.25Å
146K95Very high93.7Very high13 Ų1338.8 Ų38.86%0.05719%0.191CC..SBendtrans-160.2160.7177.660.9-169.9-177.8-142.30109.8D144 A148 N149 V150 T182 W185 T208D144-K146 PolarHBondContact O-N 3.34Å; D144-K146 IonicContact OD1-NZ 3.85Å; D144-K146 PolarHBondContact OD1-NZ 2.97Å; D144-K146 WeakPolarHBondContact OD2-CE 3.42Å; D144-K146 IonicContact OD2-NZ 3.72Å; D144-K146 PolarHBondContact OD2-NZ 3.44Å; K146-A148 HydrophobicContact CG-CB 4.24Å; K146-A148 PolarHBondContact O-N 3.07Å; K146-A148 VanDerWaalsContact O-N 3.16Å; K146-N149 WeakPolarHBondContact CE-ND2 3.17Å; K146-N149 HydrophobicContact CG-CB 4.24Å; K146-N149 PolarHBondContact O-N 3.23Å; K146-V150 WeakPolarHBondContact O-CG2 3.4Å; K146-T182 PolarHBondContact NZ-OG1 2.9Å; K146-W185 HydrophobicContact CB-CD2 3.93Å; K146-W185 HydrophobicContact CB-CG 4.06Å; K146-W185 HydrophobicContact CB-CZ2 4.11Å; K146-T208 WeakPolarHBondContact CA-OG1 3.47Å
147A96.8Very high93.9Very high0 Ų041.6 Ų41.60%020%0.204CC..G310 helixtrans-60.8-29.5-174.700000113.3A107 L108 N149 V150 T208 E211 L212A107-A147 HydrophobicContact CB-CB 4.12Å; A107-A147 PolarHBondContact N-O 3.47Å; L108-A147 HydrophobicContact CB-CB 4.04Å; L108-A147 PolarHBondContact N-O 3.41Å; A147-N149 VanDerWaalsContact C-N 3.26Å; A147-N149 PolarHBondContact O-N 2.98Å; A147-V150 PolarHBondContact O-N 3.03Å; A147-T208 HydrophobicContact CB-CG2 4.47Å; A147-E211 HydrophobicContact CB-CG 4.11Å; A147-E211 VanDerWaalsContact CB-OE1 3.23Å; A147-E211 WeakPolarHBondContact CB-OE1 3.27Å; A147-E211 WeakPolarHBondContact CB-OE2 3.49Å; A147-E211 PolarHBondContact N-OE1 2.73Å; A147-E211 PolarHBondContact N-OE2 3.49Å; A147-L212 HydrophobicContact CB-CD2 4.12Å
148A93.6Very high94Very high21 Ų2137.9 Ų37.917%0.17418%0.178CC..G310 helixtrans-61.7-31.617500000113.6S106 L108 K146 V150 T328S106-A148 WeakPolarHBondContact CB-O 3.46Å; L108-A148 HydrophobicContact CB-CB 4.34Å; L108-A148 HydrophobicContact CD2-CB 3.91Å; K146-A148 HydrophobicContact CG-CB 4.24Å; K146-A148 PolarHBondContact O-N 3.07Å; K146-A148 VanDerWaalsContact O-N 3.16Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-T328 HydrophobicContact CB-CG2 4.06Å
149N94.6Very high94.4Very high11 Ų1134.3 Ų34.36%0.05916%0.161CC..G310 helixtrans-95.18.9-178.8-68.8-4.3000112.6D144 K146 A147 A161D144-N149 VanDerWaalsContact CG-ND2 3.25Å; D144-N149 PolarHBondContact O-ND2 3.3Å; D144-N149 PolarHBondContact OD2-ND2 3.47Å; K146-N149 WeakPolarHBondContact CE-ND2 3.17Å; K146-N149 HydrophobicContact CG-CB 4.24Å; K146-N149 PolarHBondContact O-N 3.23Å; A147-N149 VanDerWaalsContact C-N 3.26Å; A147-N149 PolarHBondContact O-N 2.98Å; N149-A161 PolarHBondContact O-N 3.19Å
150V97.7Very high94.7Very high1 Ų124.9 Ų24.91%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-106.9104175.1178.30000107.3S106 A107 I124 I128 K146 A147 A148 V158 L160S106-V150 CarbonylContact C-O 3.4Å; S106-V150 VanDerWaalsContact CA-O 3.29Å; S106-V150 WeakPolarHBondContact CA-O 3.33Å; A107-V150 HydrophobicContact CB-CB 3.99Å; A107-V150 HydrophobicContact CB-CG1 4.03Å; A107-V150 PolarHBondContact N-O 2.88Å; I124-V150 HydrophobicContact CG2-CG1 4.06Å; I128-V150 HydrophobicContact CD1-CB 4.44Å; I128-V150 HydrophobicContact CD1-CG1 4Å; I128-V150 HydrophobicContact CD1-CG2 3.61Å; I128-V150 HydrophobicContact CG1-CG1 3.94Å; I128-V150 HydrophobicContact CG1-CG2 3.86Å; K146-V150 WeakPolarHBondContact O-CG2 3.4Å; A147-V150 PolarHBondContact O-N 3.03Å; A148-V150 VanDerWaalsContact C-N 3.34Å; V150-V158 HydrophobicContact CG1-CG1 3.42Å; V150-V158 VanDerWaalsContact CG1-CG1 3.42Å; V150-L160 HydrophobicContact CG2-CD2 4.06Å
151L97.5Very high94.9Very high44 Ų4423.9 Ų23.923%0.2312%0.117CC..EExtended strand (participates in β ladder)trans-101.6148.6-174.1-60.8-172.1000111.7T83 L102 V158 K159 A161T83-L151 HydrophobicContact CG2-CD1 4.32Å; L102-L151 HydrophobicContact CB-CB 3.98Å; L102-L151 HydrophobicContact CD1-CB 3.37Å; L102-L151 HydrophobicContact CD1-CD1 4.08Å; L102-L151 HydrophobicContact CD1-CG 4.36Å; L102-L151 HydrophobicContact CG-CB 4.32Å; L151-V158 CarbonylContact O-C 3.51Å; L151-V158 WeakPolarHBondContact O-CA 3.34Å; L151-K159 PolarHBondContact N-O 3.2Å; L151-K159 PolarHBondContact O-N 2.86Å; L151-A161 HydrophobicContact CD1-CB 3.43Å; L151-A161 VanDerWaalsContact CD1-CB 3.43Å; L151-A161 HydrophobicContact CG-CB 3.63Å
152L98.4Very high94.5Very high0 Ų024.6 Ų24.60%012%0.121CC..EExtended strand (participates in β ladder)trans-116.9137.8179.9-64.890.8000112.1L102 G104 G105 A107 L110 E157 V158 L284 I288L102-L152 CarbonylContact C-O 3.54Å; L102-L152 WeakPolarHBondContact CB-O 3.23Å; G104-L152 WeakPolarHBondContact CA-O 3.26Å; G104-L152 PolarHBondContact N-O 3.35Å; G105-L152 PolarHBondContact O-N 3.23Å; A107-L152 HydrophobicContact CB-CD1 4.18Å; L110-L152 HydrophobicContact CD1-CD1 3.63Å; L110-L152 HydrophobicContact CD1-CD2 3.63Å; L110-L152 HydrophobicContact CD1-CG 4.15Å; L110-L152 HydrophobicContact CG-CD1 4.49Å; L152-E157 CarbonylContact C-O 3.56Å; L152-E157 WeakPolarHBondContact CA-O 3.44Å; L152-V158 HydrophobicContact CD2-CG2 3.99Å; L152-V158 HydrophobicContact CG-CG2 4.12Å; L152-L284 HydrophobicContact CD2-CB 4.27Å; L152-L284 HydrophobicContact CD2-CD1 3.93Å; L152-I288 HydrophobicContact CB-CD1 4.25Å; L152-I288 HydrophobicContact CD2-CD1 4.37Å
153S97.8Very high93.6Very high5 Ų524.7 Ų24.74%0.03512%0.121CC..  trans-74.6164.9165.980.40000110.3Q155 G156 E157 I288S153-Q155 PolarHBondContact O-N 3.43Å; S153-Q155 VanDerWaalsContact O-N 3.13Å; S153-Q155 PolarHBondContact OG-N 3.27Å; S153-Q155 PolarHBondContact OG-OE1 3.47Å; S153-G156 PolarHBondContact O-N 3.23Å; S153-E157 PolarHBondContact N-O 3.2Å; S153-E157 VanDerWaalsContact OG-CB 3.29Å; S153-E157 WeakPolarHBondContact OG-CB 3.43Å; S153-E157 WeakPolarHBondContact OG-CG 3.41Å; S153-E157 PolarHBondContact OG-N 3.44Å; S153-E157 PolarHBondContact OG-OE2 3.25Å; S153-I288 WeakPolarHBondContact O-CD1 3.11Å
154E96.3Very high92.2Very high97 Ų9723 Ų2345%0.45312%0.118SC..THydrogen-bonded Turntrans-64.1-17.8176.4-59-166.1122.800112.9G156 K292E154-G156 VanDerWaalsContact C-N 3.33Å; E154-K292 IonicContact OE1-NZ 3.67Å; E154-K292 PolarHBondContact OE1-NZ 2.99Å
155Q97.3Very high90.5Very high112 Ų11223.2 Ų23.252%0.52312%0.119SC..THydrogen-bonded Turntrans-923.8177.6-6371.831.300112.3S153S153-Q155 PolarHBondContact O-N 3.43Å; S153-Q155 VanDerWaalsContact O-N 3.13Å; S153-Q155 PolarHBondContact OG-N 3.27Å; S153-Q155 PolarHBondContact OG-OE1 3.47Å
156G97.5Very high88.1Confident0 Ų023.5 Ų23.50%012%0.122CC..  trans839.5178.200000114.5S153 E154 T281S153-G156 PolarHBondContact O-N 3.23Å; E154-G156 VanDerWaalsContact C-N 3.33Å; G156-T281 VanDerWaalsContact O-CB 3.27Å; G156-T281 WeakPolarHBondContact O-CB 3.2Å
157E98.4Very high85.5Confident93 Ų9323.4 Ų23.444%0.43513%0.125SC..  trans-68139.1171.9-55.5167.312900109.3L152 S153L152-E157 CarbonylContact C-O 3.56Å; L152-E157 WeakPolarHBondContact CA-O 3.44Å; S153-E157 PolarHBondContact N-O 3.2Å; S153-E157 VanDerWaalsContact OG-CB 3.29Å; S153-E157 WeakPolarHBondContact OG-CB 3.43Å; S153-E157 WeakPolarHBondContact OG-CG 3.41Å; S153-E157 PolarHBondContact OG-N 3.44Å; S153-E157 PolarHBondContact OG-OE2 3.25Å
158V98.6Very high82.6Confident3 Ų329.9 Ų29.92%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-113.1131.5-175.3179.50000108.8I124 E127 V150 L151 L152 L284I124-V158 HydrophobicContact CG2-CG1 4.47Å; E127-V158 HydrophobicContact CB-CB 3.58Å; E127-V158 HydrophobicContact CB-CG1 4.01Å; E127-V158 HydrophobicContact CB-CG2 4.23Å; E127-V158 HydrophobicContact CG-CB 3.96Å; E127-V158 HydrophobicContact CG-CG2 4.16Å; V150-V158 HydrophobicContact CG1-CG1 3.42Å; V150-V158 VanDerWaalsContact CG1-CG1 3.42Å; L151-V158 CarbonylContact O-C 3.51Å; L151-V158 WeakPolarHBondContact O-CA 3.34Å; L152-V158 HydrophobicContact CD2-CG2 3.99Å; L152-V158 HydrophobicContact CG-CG2 4.12Å; V158-L284 HydrophobicContact CG2-CD1 3.62Å
159K98.3Very high80Confident20 Ų2034.2 Ų34.29%0.08718%0.175CC..EExtended strand (participates in β ladder)trans-136.3147.2-178.9-52.2-163.9-178.5-165.90111.7P80 F81 T83 E100 L102 L151P80-K159 WeakPolarHBondContact O-CD 3.2Å; P80-K159 WeakPolarHBondContact O-CE 3.35Å; P80-K159 WeakPolarHBondContact O-CG 3.38Å; F81-K159 CarbonylContact O-C 3.52Å; F81-K159 VanDerWaalsContact O-CA 3.32Å; F81-K159 WeakPolarHBondContact O-CA 3.06Å; T83-K159 HydrophobicContact CG2-CB 4.46Å; E100-K159 VanDerWaalsContact OE1-CE 3.26Å; E100-K159 WeakPolarHBondContact OE1-CE 3.4Å; E100-K159 IonicContact OE1-NZ 3.07Å; E100-K159 PolarHBondContact OE1-NZ 3.16Å; E100-K159 IonicContact OE2-NZ 3.92Å; E100-K159 PolarHBondContact OE2-NZ 2.91Å; L102-K159 HydrophobicContact CD1-CB 3.86Å; L102-K159 HydrophobicContact CD1-CD 4.14Å; L102-K159 HydrophobicContact CD1-CG 4.17Å; L102-K159 HydrophobicContact CD2-CD 4.11Å; L102-K159 HydrophobicContact CD2-CG 4.4Å; L151-K159 PolarHBondContact N-O 3.2Å; L151-K159 PolarHBondContact O-N 2.86Å
160L96.1Very high77.2Confident1 Ų137.2 Ų37.21%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-79.2136.2169.2-61.5176.1000110.4F81 I82 T83 I128 L132 L135 I145 V150F81-L160 PolarHBondContact O-N 2.75Å; I82-L160 HydrophobicContact CD1-CB 3.9Å; I82-L160 HydrophobicContact CD1-CD1 4.08Å; I82-L160 HydrophobicContact CD1-CG 4.4Å; T83-L160 WeakPolarHBondContact CG2-O 3.41Å; T83-L160 PolarHBondContact N-O 3.15Å; T83-L160 PolarHBondContact OG1-O 3.38Å; T83-L160 VanDerWaalsContact OG1-O 3.12Å; I128-L160 HydrophobicContact CG1-CD2 4.29Å; I128-L160 HydrophobicContact CG2-CD2 4.12Å; L132-L160 HydrophobicContact CD2-CD1 4.12Å; L132-L160 HydrophobicContact CG-CD1 4.32Å; L135-L160 HydrophobicContact CD1-CD1 4.2Å; I145-L160 HydrophobicContact CD1-CD1 3.99Å; I145-L160 HydrophobicContact CD1-CD2 3.81Å; V150-L160 HydrophobicContact CG2-CD2 4.06Å
161A91.1Very high74.1Confident5 Ų544.6 Ų44.64%0.04123%0.233CC..  trans-126.7168.617800000110.7T83 H142 N149 L151T83-A161 HydrophobicContact CG2-CB 3.66Å; H142-A161 PolarHBondContact CE1-O 3.36Å; H142-A161 PolarHBondContact NE2-O 2.86Å; H142-A161 VanDerWaalsContact NE2-O 3.12Å; N149-A161 PolarHBondContact O-N 3.19Å; L151-A161 HydrophobicContact CD1-CB 3.43Å; L151-A161 VanDerWaalsContact CD1-CB 3.43Å; L151-A161 HydrophobicContact CG-CB 3.63Å
162D79.1Confident71.1Confident32 Ų3247.7 Ų47.717%0.17125%0.254CS..  trans48.582.2174.5-73.3-45.1000113.3K53 H142 G164K53-D162 IonicContact NZ-OD1 2.65Å; K53-D162 PolarHBondContact NZ-OD1 3.24Å; H142-D162 PolarHBondContact CE1-O 3.46Å; H142-D162 VanDerWaalsContact CE1-O 3.23Å; D162-G164 PolarHBondContact O-N 2.95Å
163F70.8Confident68.2Low2 Ų251.9 Ų51.91%0.00927%0.273CS..  trans-68.284.8172-71.4-95.3000109.4E70 V73 L74 I82 L135 H142 V165 A166E70-F163 HydrophobicContact CG-CB 4.3Å; V73-F163 HydrophobicContact CG1-CD1 3.9Å; V73-F163 HydrophobicContact CG1-CE1 4.21Å; V73-F163 HydrophobicContact CG1-CG 4.3Å; L74-F163 HydrophobicContact CB-CD2 4.44Å; L74-F163 HydrophobicContact CD1-CD2 3.61Å; L74-F163 HydrophobicContact CD1-CE2 3.36Å; I82-F163 HydrophobicContact CD1-CZ 4.1Å; I82-F163 HydrophobicContact CG1-CZ 4.49Å; I82-F163 HydrophobicContact CG2-CE2 3.53Å; I82-F163 HydrophobicContact CG2-CZ 3.44Å; I82-F163 VanDerWaalsContact CG2-CZ 3.44Å; L135-F163 HydrophobicContact CD1-CE1 3.62Å; L135-F163 HydrophobicContact CD1-CZ 4.17Å; L135-F163 HydrophobicContact CD2-CE1 3.55Å; L135-F163 HydrophobicContact CD2-CZ 3.87Å; L135-F163 HydrophobicContact CG-CE1 4.23Å; H142-F163 AromaticContact CD2-CD1 3.97Å; H142-F163 AromaticContact CD2-CE1 3.95Å; F163-V165 PolarHBondContact O-N 3.3Å; F163-A166 HydrophobicContact CB-CB 4.29Å
164G58.7Low65.5Low10 Ų1058.9 Ų58.910%0.10331%0.309CS..THydrogen-bonded Turntrans-53.8115.8178.300000110.1D162 A166D162-G164 PolarHBondContact O-N 2.95Å; G164-A166 PolarHBondContact O-N 3.33Å
165V51.6Low62.6Low16 Ų1663.6 Ų63.610%0.09733%0.328CS..THydrogen-bonded Turntrans28.163.3173.8-162.70000112.1F35 D66 R143 F163 G167 V180F35-V165 HydrophobicContact CZ-CG2 4.02Å; D66-V165 HydrophobicContact CB-CG1 3.87Å; D66-V165 HydrophobicContact CB-CG2 4.48Å; D66-V165 VanDerWaalsContact CG-CG1 3.49Å; R143-V165 WeakPolarHBondContact CD-O 3.36Å; R143-V165 PolarHBondContact NH1-O 3.12Å; F163-V165 PolarHBondContact O-N 3.3Å; V165-G167 PolarHBondContact O-N 3.23Å; V165-V180 HydrophobicContact CB-CG1 3.73Å; V165-V180 HydrophobicContact CG1-CG1 4.45Å; V165-V180 HydrophobicContact CG2-CG1 3.33Å
166A45.6Very low59.9Low7 Ų763 Ų636%0.05832%0.321CS..  trans-71.252.817700000110.5Q69 V73 F163 G164 Q168Q69-A166 WeakPolarHBondContact CG-O 3.36Å; Q69-A166 PolarHBondContact NE2-O 3.37Å; Q69-A166 VanDerWaalsContact NE2-O 3.11Å; V73-A166 HydrophobicContact CB-CB 4.37Å; V73-A166 HydrophobicContact CG1-CB 4.3Å; V73-A166 HydrophobicContact CG2-CB 3.96Å; F163-A166 HydrophobicContact CB-CB 4.29Å; G164-A166 PolarHBondContact O-N 3.33Å; A166-Q168 PolarHBondContact O-N 2.86Å
167G39Very low56.8Low11 Ų1171.3 Ų71.311%0.11337%0.365CS..  trans-54.9110.517300000109.8R143 V165 L169R143-G167 VanDerWaalsContact NH1-CA 3.31Å; R143-G167 PolarHBondContact NH1-O 3.04Å; R143-G167 PolarHBondContact NH2-O 3.01Å; V165-G167 PolarHBondContact O-N 3.23Å; G167-L169 PolarHBondContact O-N 3.38Å
168Q37.1Very low54.1Low136 Ų13671.3 Ų71.364%0.63637%0.372SS*.  trans-48.9130.4168.2-164.7163.70.500108.7A166 T170A166-Q168 PolarHBondContact O-N 2.86Å; Q168-T170 VanDerWaalsContact C-N 3.28Å; Q168-T170 PolarHBondContact O-N 3.17Å; Q168-T170 PolarHBondContact O-OG1 3.42Å
169L38.8Very low51.5Low113 Ų11374.4 Ų74.459%0.59239%0.385SS*.SBendtrans-50.492.7176.9-80.6147.6000108.9I141 G167I141-L169 HydrophobicContact CD1-CD1 4.24Å; G167-L169 PolarHBondContact O-N 3.38Å
170T36.5Very low49.1Very low73 Ų7376.8 Ų76.845%0.44840%0.401SS..  trans-138.4137.8177.951.10000107.1Q168 T172 Q173Q168-T170 VanDerWaalsContact C-N 3.28Å; Q168-T170 PolarHBondContact O-N 3.17Å; Q168-T170 PolarHBondContact O-OG1 3.42Å; T170-T172 PolarHBondContact O-N 3.23Å; T170-Q173 PolarHBondContact O-N 2.75Å
171D32.7Very low47.1Very low156 Ų15677.8 Ų77.883%0.83441%0.411SS*.G310 helixtrans-61.71.6-167.3-65.1-42.8000115.1
172T34.4Very low46Very low110 Ų11078 Ų7868%0.67541%0.412SS*.G310 helixtrans-85.5-9.9-178.638.30000114.7T170 I174 K175T170-T172 PolarHBondContact O-N 3.23Å; T172-I174 PolarHBondContact O-N 3.42Å; T172-I174 VanDerWaalsContact O-N 3.08Å; T172-K175 PolarHBondContact O-N 3.09Å
173Q37.3Very low46.2Very low87 Ų8776.6 Ų76.641%0.40741%0.405SS..G310 helixtrans-65.5-9.2177.2-73.5-168.5-38.500114.4T170 K175T170-Q173 PolarHBondContact O-N 2.75Å; Q173-K175 PolarHBondContact O-N 3.04Å
174I41.4Very low47.2Very low153 Ų15376.7 Ų76.779%0.78541%0.405SS*.G310 helixtrans-65.1-17.6178.6-58174.6000112.4T172T172-I174 PolarHBondContact O-N 3.42Å; T172-I174 VanDerWaalsContact O-N 3.08Å
175K33.9Very low48.9Very low196 Ų19676.6 Ų76.685%0.85240%0.402SS*.G310 helixtrans-94.5-11.4-174.6-79.7-172.7177.4-179.10116.5T172 Q173T172-K175 PolarHBondContact O-N 3.09Å; Q173-K175 PolarHBondContact O-N 3.04Å
176R40.2Very low50.8Low100 Ų10076.4 Ų76.438%0.37740%0.4SS..  trans-98.3108.4179.6-73.4-172.717712217.1109.5E65 D66 T178E65-R176 IonicContact OE1-NH2 3.59Å; E65-R176 IonicContact OE2-CZ 3.23Å; E65-R176 IonicContact OE2-NH1 3.78Å; E65-R176 PolarHBondContact OE2-NH1 2.92Å; E65-R176 IonicContact OE2-NH2 3.8Å; E65-R176 PolarHBondContact OE2-NH2 3.19Å; D66-R176 IonicContact OD1-NH1 3.54Å; D66-R176 PolarHBondContact OD1-NH1 2.79Å; D66-R176 IonicContact OD2-NH1 3.29Å; R176-T178 PolarHBondContact O-N 2.8Å; R176-T178 VanDerWaalsContact O-N 3.1Å
177N32.7Very low53Low174 Ų17476.1 Ų76.193%0.9340%0.397SS*.  trans-67.44.3172.1-92.8-7.2000113.4F179N177-F179 PolarHBondContact O-N 2.88Å
178T41.8Very low55.6Low92 Ų9275.8 Ų75.856%0.56439%0.393SS*.  trans-81.9105.6175.932.50000109.4R176 V180R176-T178 PolarHBondContact O-N 2.8Å; R176-T178 VanDerWaalsContact O-N 3.1Å; T178-V180 WeakPolarHBondContact O-CG2 3.24Å; T178-V180 PolarHBondContact O-N 2.88Å
179F44.8Very low58.1Low69 Ų6970.1 Ų70.130%0.30337%0.367SS..  trans-67.2101.8169.9-168.3-92.4000108.7N177 P183 M186 I191 L228N177-F179 PolarHBondContact O-N 2.88Å; F179-P183 HydrophobicContact CE1-CG 4.43Å; F179-M186 HydrophobicContact CD1-CE 4.2Å; F179-M186 HydrophobicContact CD1-SD 4.15Å; F179-M186 HydrophobicContact CE1-CE 3.31Å; F179-M186 HydrophobicContact CE1-SD 3.23Å; F179-M186 WeakPolarHBondContact CE1-SD 3.5Å; F179-M186 HydrophobicContact CE2-CE 4.08Å; F179-M186 HydrophobicContact CZ-CE 3.22Å; F179-M186 HydrophobicContact CZ-SD 3.73Å; F179-I191 HydrophobicContact CE2-CG2 4.33Å; F179-I191 HydrophobicContact CZ-CB 4.23Å; F179-I191 HydrophobicContact CZ-CG1 4.01Å; F179-I191 HydrophobicContact CZ-CG2 4.13Å; F179-L228 HydrophobicContact CD1-CD1 3.94Å; F179-L228 HydrophobicContact CD1-CD2 3.99Å; F179-L228 HydrophobicContact CD2-CD1 4.45Å; F179-L228 HydrophobicContact CE1-CD1 3.89Å; F179-L228 HydrophobicContact CE1-CD2 3.13Å; F179-L228 HydrophobicContact CE1-CG 4.15Å; F179-L228 HydrophobicContact CE2-CD1 4.41Å; F179-L228 HydrophobicContact CE2-CD2 4.29Å; F179-L228 HydrophobicContact CG-CD1 4.23Å; F179-L228 HydrophobicContact CZ-CD1 4.14Å; F179-L228 HydrophobicContact CZ-CD2 3.33Å; F179-L228 HydrophobicContact CZ-CG 4.33Å
180V47.3Very low60.5Low70 Ų7066 Ų6642%0.42435%0.347SS..  trans-89129.5-174-175.90000111V165 T178 M186V165-V180 HydrophobicContact CB-CG1 3.73Å; V165-V180 HydrophobicContact CG1-CG1 4.45Å; V165-V180 HydrophobicContact CG2-CG1 3.33Å; T178-V180 WeakPolarHBondContact O-CG2 3.24Å; T178-V180 PolarHBondContact O-N 2.88Å; V180-M186 WeakPolarHBondContact O-CE 3.44Å
181G54.3Low62.8Low21 Ų2163.5 Ų63.522%0.21633%0.33CS..SBendtrans131.3162.9173.300000112.2P183G181-P183 VanDerWaalsContact O-CD 3.26Å; G181-P183 WeakPolarHBondContact O-CD 3.22Å
182T68.4Low65.2Low10 Ų1062.1 Ų62.16%0.06132%0.317CS..  trans-84.2106.9169.5-47.20000108.1K146 F184 W185K146-T182 PolarHBondContact NZ-OG1 2.9Å; T182-F184 HydrophobicContact CG2-CD2 4.09Å; T182-F184 PolarHBondContact O-N 2.81Å; T182-W185 HydrophobicContact CG2-CE3 3.6Å; T182-W185 HydrophobicContact CG2-CH2 4.4Å; T182-W185 HydrophobicContact CG2-CZ3 3.29Å; T182-W185 PolarHBondContact O-N 2.85Å; T182-W185 VanDerWaalsContact O-N 3.09Å
183P82.1Confident67.1Low2 Ų265 Ų651%0.01332%0.323CS..G310 helixtrans-52.1-31.7-161-37.944.4000116.7F179 G181 W185 M186 P224 V227 L228 I231 F326F179-P183 HydrophobicContact CE1-CG 4.43Å; G181-P183 VanDerWaalsContact O-CD 3.26Å; G181-P183 WeakPolarHBondContact O-CD 3.22Å; P183-W185 VanDerWaalsContact C-N 3.26Å; P183-W185 PolarHBondContact O-N 2.8Å; P183-M186 PolarHBondContact O-N 2.79Å; P183-P224 HydrophobicContact CB-CB 4.39Å; P183-P224 HydrophobicContact CG-CB 3.9Å; P183-V227 HydrophobicContact CB-CG1 4.49Å; P183-L228 HydrophobicContact CB-CD2 3.66Å; P183-L228 HydrophobicContact CG-CD2 4.02Å; P183-I231 WeakPolarHBondContact O-CD1 3.15Å; P183-F326 HydrophobicContact CG-CE1 4.46Å; P183-F326 HydrophobicContact CG-CZ 4.48Å
184F91.8Very high68.7Low4 Ų463.6 Ų63.62%0.01832%0.322CS..G310 helixtrans-65.5-26.2-175.6-45-92.2000113.4T182 P217 H219 L222 P224 V227 I329T182-F184 HydrophobicContact CG2-CD2 4.09Å; T182-F184 PolarHBondContact O-N 2.81Å; F184-P217 HydrophobicContact CB-CB 4.06Å; F184-P217 HydrophobicContact CB-CG 3.92Å; F184-P217 HydrophobicContact CG-CG 4.38Å; F184-H219 HydrophobicContact CD1-CB 4.43Å; F184-H219 WeakPolarHBondContact CD1-O 3.43Å; F184-H219 WeakPolarHBondContact CE1-O 3.38Å; F184-L222 WeakPolarHBondContact CE1-O 3.4Å; F184-P224 HydrophobicContact CE2-CB 4.31Å; F184-P224 HydrophobicContact CE2-CG 4.1Å; F184-P224 HydrophobicContact CZ-CB 4.19Å; F184-P224 HydrophobicContact CZ-CG 3.9Å; F184-V227 HydrophobicContact CD1-CB 4.39Å; F184-V227 HydrophobicContact CD1-CG1 4.07Å; F184-V227 HydrophobicContact CD1-CG2 3.82Å; F184-V227 HydrophobicContact CE1-CB 4.35Å; F184-V227 HydrophobicContact CE1-CG2 3.53Å; F184-V227 HydrophobicContact CZ-CG2 4.41Å; F184-I329 HydrophobicContact CD2-CD1 3.95Å; F184-I329 HydrophobicContact CE1-CD1 4.23Å; F184-I329 HydrophobicContact CE2-CD1 3.19Å; F184-I329 HydrophobicContact CE2-CG1 4.48Å; F184-I329 HydrophobicContact CZ-CD1 3.35Å
185W94.9Very high70.1Confident8 Ų861.2 Ų61.23%0.0333%0.326CS..G310 helixtrans-96.7-4.5178.5-66.9-102.6000113.3I145 K146 T182 P183 S204 I207 E211 P217I145-W185 VanDerWaalsContact O-CD1 3.24Å; K146-W185 HydrophobicContact CB-CD2 3.93Å; K146-W185 HydrophobicContact CB-CG 4.06Å; K146-W185 HydrophobicContact CB-CZ2 4.11Å; T182-W185 HydrophobicContact CG2-CE3 3.6Å; T182-W185 HydrophobicContact CG2-CH2 4.4Å; T182-W185 HydrophobicContact CG2-CZ3 3.29Å; T182-W185 PolarHBondContact O-N 2.85Å; T182-W185 VanDerWaalsContact O-N 3.09Å; P183-W185 VanDerWaalsContact C-N 3.26Å; P183-W185 PolarHBondContact O-N 2.8Å; W185-S204 WeakPolarHBondContact O-CA 3.46Å; W185-S204 WeakPolarHBondContact O-CB 3.02Å; W185-S204 PolarHBondContact O-OG 2.86Å; W185-I207 HydrophobicContact CB-CG2 4.4Å; W185-I207 VanDerWaalsContact CD1-CG2 3.46Å; W185-I207 HydrophobicContact CD2-CG2 4.29Å; W185-I207 HydrophobicContact CG-CB 4.29Å; W185-I207 HydrophobicContact CG-CG2 3.8Å; W185-E211 VanDerWaalsContact CZ2-CD 3.44Å; W185-E211 HydrophobicContact CZ2-CG 4.29Å; W185-E211 VanDerWaalsContact CZ2-OE1 3.31Å; W185-E211 WeakPolarHBondContact CZ2-OE1 3.37Å; W185-E211 PolarHBondContact NE1-OE2 2.78Å; W185-P217 HydrophobicContact CD2-CB 4.47Å; W185-P217 HydrophobicContact CH2-CB 4.13Å; W185-P217 HydrophobicContact CH2-CG 3.47Å; W185-P217 VanDerWaalsContact CH2-CG 3.47Å; W185-P217 HydrophobicContact CZ2-CB 3.77Å; W185-P217 HydrophobicContact CZ2-CG 3.57Å; W185-P217 HydrophobicContact CZ3-CG 3.99Å
186M91.6Very high72Confident12 Ų1253.8 Ų53.86%0.05929%0.292CS..  trans-77137.7-172.2-67.3178.467.800112.2F179 V180 P183 V190 I191 W203F179-M186 HydrophobicContact CD1-CE 4.2Å; F179-M186 HydrophobicContact CD1-SD 4.15Å; F179-M186 HydrophobicContact CE1-CE 3.31Å; F179-M186 HydrophobicContact CE1-SD 3.23Å; F179-M186 WeakPolarHBondContact CE1-SD 3.5Å; F179-M186 HydrophobicContact CE2-CE 4.08Å; F179-M186 HydrophobicContact CZ-CE 3.22Å; F179-M186 HydrophobicContact CZ-SD 3.73Å; V180-M186 WeakPolarHBondContact O-CE 3.44Å; P183-M186 PolarHBondContact O-N 2.79Å; M186-V190 HydrophobicContact CE-CB 4.39Å; M186-V190 HydrophobicContact CE-CG1 3.53Å; M186-I191 HydrophobicContact CB-CD1 4.2Å; M186-I191 HydrophobicContact CB-CG1 3.9Å; M186-I191 HydrophobicContact CE-CG1 4.47Å; M186-W203 PolarHBondContact O-NE1 3.01Å; M186-W203 VanDerWaalsContact O-NE1 3.08Å
187A92.8Very high74.1Confident1 Ų152.8 Ų52.81%0.00829%0.294CS..  trans-70.6147.7175.700000111.6E189 V190 I191 A200 W203A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 WeakPolarHBondContact CB-OE1 3.43Å; A187-E189 WeakPolarHBondContact CB-OE2 3.42Å; A187-E189 PolarHBondContact O-N 2.95Å; A187-V190 HydrophobicContact CB-CG2 4.05Å; A187-V190 WeakPolarHBondContact O-CB 3.45Å; A187-V190 PolarHBondContact O-N 3.39Å; A187-I191 WeakPolarHBondContact O-CG1 3.47Å; A187-I191 PolarHBondContact O-N 2.82Å; A187-I191 VanDerWaalsContact O-N 3.15Å; A187-A200 HydrophobicContact CB-CB 4.21Å; A187-W203 VanDerWaalsContact CA-CD1 3.44Å; A187-W203 HydrophobicContact CB-CB 3.73Å; A187-W203 HydrophobicContact CB-CD2 4.36Å; A187-W203 HydrophobicContact CB-CG 3.72Å
188P93.1Very high76.9Confident4 Ų446 Ų463%0.02626%0.261CS..Hα-helixtrans-55.3-37.7-178-25.432.6000114.2I191 K192 W203 I231 K257P188-I191 PolarHBondContact O-N 3.43Å; P188-K192 WeakPolarHBondContact O-CB 3.48Å; P188-K192 VanDerWaalsContact O-CG 3.32Å; P188-K192 WeakPolarHBondContact O-CG 3.28Å; P188-K192 PolarHBondContact O-N 3Å; P188-W203 HydrophobicContact CG-CE3 4.32Å; P188-W203 HydrophobicContact CG-CH2 3.68Å; P188-W203 HydrophobicContact CG-CZ2 3.94Å; P188-W203 HydrophobicContact CG-CZ3 3.89Å; P188-I231 HydrophobicContact CB-CG2 4.36Å; P188-I231 HydrophobicContact CG-CG2 3.87Å; P188-K257 HydrophobicContact CG-CD 4.29Å
189E90.3Very high79.5Confident17 Ų1742.9 Ų42.98%0.07924%0.239CC..Hα-helixtrans-69.6-31.6178.767.3-83-164.100113A187 Q193 S194 P259 R262A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 WeakPolarHBondContact CB-OE1 3.43Å; A187-E189 WeakPolarHBondContact CB-OE2 3.42Å; A187-E189 PolarHBondContact O-N 2.95Å; E189-Q193 PolarHBondContact O-N 2.82Å; E189-S194 PolarHBondContact O-N 3.02Å; E189-P259 HydrophobicContact CB-CG 4.47Å; E189-P259 HydrophobicContact CG-CG 4.05Å; E189-R262 IonicContact OE1-CZ 2.85Å; E189-R262 IonicContact OE1-NH1 2.65Å; E189-R262 PolarHBondContact OE1-NH1 3.15Å; E189-R262 IonicContact OE1-NH2 2.88Å; E189-R262 PolarHBondContact OE1-NH2 3.41Å; E189-R262 IonicContact OE2-CZ 2.84Å; E189-R262 IonicContact OE2-NH1 3.13Å; E189-R262 IonicContact OE2-NH2 2.72Å; E189-R262 PolarHBondContact OE2-NH2 2.94Å
190V87.4Confident81.9Confident28 Ų2839.8 Ų39.817%0.1723%0.227CC..Hα-helixtrans-68.8-44.2174.5-178.60000109.5M186 A187 K192 Q193 Y196 A200M186-V190 HydrophobicContact CE-CB 4.39Å; M186-V190 HydrophobicContact CE-CG1 3.53Å; A187-V190 HydrophobicContact CB-CG2 4.05Å; A187-V190 WeakPolarHBondContact O-CB 3.45Å; A187-V190 PolarHBondContact O-N 3.39Å; V190-K192 VanDerWaalsContact C-N 3.32Å; V190-K192 PolarHBondContact O-N 3.38Å; V190-Q193 PolarHBondContact O-N 3.26Å; V190-Q193 VanDerWaalsContact O-N 3.09Å; V190-Y196 HydrophobicContact CG1-CE1 4.4Å; V190-Y196 HydrophobicContact CG2-CD1 4.04Å; V190-Y196 HydrophobicContact CG2-CD2 3.93Å; V190-Y196 HydrophobicContact CG2-CE1 4.49Å; V190-Y196 HydrophobicContact CG2-CE2 4.38Å; V190-Y196 HydrophobicContact CG2-CG 3.75Å; V190-A200 HydrophobicContact CG2-CB 3.73Å
191I85.3Confident84.2Confident19 Ų1936.5 Ų36.510%0.09721%0.206CC..Hα-helixtrans-62.2-41.1177.7-59172.4000111.2F179 M186 A187 P188 Q193 L228 I231 P232F179-I191 HydrophobicContact CE2-CG2 4.33Å; F179-I191 HydrophobicContact CZ-CB 4.23Å; F179-I191 HydrophobicContact CZ-CG1 4.01Å; F179-I191 HydrophobicContact CZ-CG2 4.13Å; M186-I191 HydrophobicContact CB-CD1 4.2Å; M186-I191 HydrophobicContact CB-CG1 3.9Å; M186-I191 HydrophobicContact CE-CG1 4.47Å; A187-I191 WeakPolarHBondContact O-CG1 3.47Å; A187-I191 PolarHBondContact O-N 2.82Å; A187-I191 VanDerWaalsContact O-N 3.15Å; P188-I191 PolarHBondContact O-N 3.43Å; I191-Q193 PolarHBondContact O-N 3.31Å; I191-L228 HydrophobicContact CG2-CB 4.31Å; I191-L228 HydrophobicContact CG2-CD2 4.37Å; I191-L228 WeakPolarHBondContact CG2-O 3.4Å; I191-I231 HydrophobicContact CD1-CB 3.55Å; I191-I231 HydrophobicContact CD1-CD1 3.82Å; I191-I231 HydrophobicContact CD1-CG1 4.27Å; I191-I231 HydrophobicContact CD1-CG2 3.49Å; I191-I231 VanDerWaalsContact CD1-CG2 3.49Å; I191-P232 HydrophobicContact CB-CG 4.11Å; I191-P232 HydrophobicContact CD1-CG 4.31Å; I191-P232 HydrophobicContact CG2-CG 3.71Å
192K82.9Confident86.3Confident127 Ų12735.5 Ų35.555%0.55220%0.196SC*.THydrogen-bonded Turntrans-75.12.6177.8-70.3179.7-174.9-176.60113.9P188 V190 S194 P232P188-K192 WeakPolarHBondContact O-CB 3.48Å; P188-K192 VanDerWaalsContact O-CG 3.32Å; P188-K192 WeakPolarHBondContact O-CG 3.28Å; P188-K192 PolarHBondContact O-N 3Å; V190-K192 VanDerWaalsContact C-N 3.32Å; V190-K192 PolarHBondContact O-N 3.38Å; K192-S194 PolarHBondContact O-N 3.32Å; K192-S194 VanDerWaalsContact O-N 3.12Å; K192-P232 HydrophobicContact CG-CB 4.39Å; K192-P232 HydrophobicContact CG-CG 4.46Å
193Q73.8Confident87.7Confident172 Ų17235.1 Ų35.180%0.80419%0.194SC*.THydrogen-bonded Turntrans53.131.8-175.2-56.8179.3-6.700112.8E189 V190 I191E189-Q193 PolarHBondContact O-N 2.82Å; V190-Q193 PolarHBondContact O-N 3.26Å; V190-Q193 VanDerWaalsContact O-N 3.09Å; I191-Q193 PolarHBondContact O-N 3.31Å
194S71.5Confident88.5Confident57 Ų5735.3 Ų35.340%0.39920%0.195SC..  trans-77.8158.9171.5-58.50000109.2E189 K192 Y196E189-S194 PolarHBondContact O-N 3.02Å; K192-S194 PolarHBondContact O-N 3.32Å; K192-S194 VanDerWaalsContact O-N 3.12Å; S194-Y196 PolarHBondContact O-N 2.91Å
195A71.3Confident88.8Confident103 Ų10335.1 Ų35.185%0.85119%0.194SC*.  trans-56.7126.2168.700000108.9
196Y73.9Confident89Confident40 Ų4034.7 Ų34.716%0.15719%0.192CC..  trans-128.1153.7-179.167.4-91.5000110.6R143 V190 S194 A200R143-Y196 HydrophobicContact CG-CE2 4.5Å; R143-Y196 PolarHBondContact NE-OH 2.91Å; R143-Y196 PolarHBondContact NH1-OH 2.72Å; R143-Y196 PolarHBondContact NH2-OH 3.42Å; V190-Y196 HydrophobicContact CG1-CE1 4.4Å; V190-Y196 HydrophobicContact CG2-CD1 4.04Å; V190-Y196 HydrophobicContact CG2-CD2 3.93Å; V190-Y196 HydrophobicContact CG2-CE1 4.49Å; V190-Y196 HydrophobicContact CG2-CE2 4.38Å; V190-Y196 HydrophobicContact CG2-CG 3.75Å; S194-Y196 PolarHBondContact O-N 2.91Å; Y196-A200 HydrophobicContact CD2-CB 4.01Å
197D84.7Confident89.3Confident78 Ų7834.3 Ų34.342%0.41719%0.19SC..  trans-125.6-161.5-178.769.51.5000110.6K199 A200D197-K199 PolarHBondContact O-N 3.46Å; D197-K199 VanDerWaalsContact O-N 3.09Å; D197-K199 WeakPolarHBondContact OD1-CB 3.49Å; D197-K199 WeakPolarHBondContact OD1-CG 3.5Å; D197-K199 PolarHBondContact OD1-N 3.03Å; D197-A200 WeakPolarHBondContact O-CB 3.32Å; D197-A200 PolarHBondContact O-N 2.99Å; D197-A200 VanDerWaalsContact O-N 3.13Å
198S91.6Very high89.6Confident32 Ų3234.2 Ų34.222%0.22419%0.19CC..THydrogen-bonded Turntrans-60.9-14.5178.660.40000114.5H136 A200 D201H136-S198 VanDerWaalsContact CD2-CB 3.5Å; H136-S198 WeakPolarHBondContact CD2-CB 3.49Å; H136-S198 PolarHBondContact CE1-O 3.4Å; H136-S198 VanDerWaalsContact CE1-O 3.24Å; H136-S198 VanDerWaalsContact CG-CB 3.49Å; S198-A200 PolarHBondContact O-N 2.71Å; S198-D201 PolarHBondContact O-N 3.36Å
199K96.5Very high89.9Confident27 Ų2734 Ų3412%0.11719%0.189CC..Hα-helixtrans-69.8-17.5175.3-57.6-58.1-168.272.50112.8D197 D201 I202 W203 P259 R262D197-K199 PolarHBondContact O-N 3.46Å; D197-K199 VanDerWaalsContact O-N 3.09Å; D197-K199 WeakPolarHBondContact OD1-CB 3.49Å; D197-K199 WeakPolarHBondContact OD1-CG 3.5Å; D197-K199 PolarHBondContact OD1-N 3.03Å; K199-D201 VanDerWaalsContact C-N 3.34Å; K199-I202 HydrophobicContact CD-CG1 4.37Å; K199-I202 PolarHBondContact O-N 3.01Å; K199-W203 PolarHBondContact O-N 3.31Å; K199-P259 HydrophobicContact CB-CB 3.96Å; K199-P259 HydrophobicContact CG-CB 4.49Å; K199-P259 WeakPolarHBondContact CG-O 3.22Å; K199-P259 PolarHBondContact NZ-O 2.95Å; K199-R262 HydrophobicContact CD-CB 4.43Å; K199-R262 PolarHBondContact NZ-O 3.26Å; K199-R262 PolarHBondContact O-NH1 3.43Å
200A94.3Very high90.3Very high4 Ų433.4 Ų33.43%0.03319%0.186CC..Hα-helixtrans-60.5-44.4169.700000111.1A187 V190 Y196 D197 S198 I202 W203 S204A187-A200 HydrophobicContact CB-CB 4.21Å; V190-A200 HydrophobicContact CG2-CB 3.73Å; Y196-A200 HydrophobicContact CD2-CB 4.01Å; D197-A200 WeakPolarHBondContact O-CB 3.32Å; D197-A200 PolarHBondContact O-N 2.99Å; D197-A200 VanDerWaalsContact O-N 3.13Å; S198-A200 PolarHBondContact O-N 2.71Å; A200-I202 PolarHBondContact O-N 3.07Å; A200-W203 WeakPolarHBondContact O-CB 3.37Å; A200-W203 PolarHBondContact O-N 3.1Å; A200-W203 VanDerWaalsContact O-N 3.13Å; A200-S204 PolarHBondContact O-N 2.95Å; A200-S204 VanDerWaalsContact O-N 3.08Å; A200-S204 PolarHBondContact O-OG 3.36Å
201D95.8Very high90.8Very high0 Ų032.3 Ų32.30%018%0.179CC..Hα-helixtrans-62.5-31.1176.7-69.1-23000112.2L132 H136 I141 H142 R143 I145 S198 K199 S204 L205L132-D201 HydrophobicContact CD1-CB 4.34Å; L132-D201 HydrophobicContact CD2-CB 3.87Å; H136-D201 IonicContact CD2-OD2 2.89Å; H136-D201 IonicContact CE1-OD2 3.26Å; H136-D201 IonicContact NE2-OD2 2.75Å; H136-D201 PolarHBondContact NE2-OD2 3.43Å; I141-D201 WeakPolarHBondContact CG2-OD2 3.05Å; H142-D201 PolarHBondContact N-OD1 3.26Å; H142-D201 PolarHBondContact N-OD2 3.46Å; R143-D201 PolarHBondContact N-OD1 2.68Å; I145-D201 HydrophobicContact CG1-CB 4.36Å; S198-D201 PolarHBondContact O-N 3.36Å; K199-D201 VanDerWaalsContact C-N 3.34Å; D201-S204 PolarHBondContact O-N 3.34Å; D201-L205 WeakPolarHBondContact O-CB 3.48Å; D201-L205 PolarHBondContact O-N 3.13Å
202I98.7Very high91.5Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-69.6-36.7177.7-55.6-58.9000111.3L132 K199 A200 L205 G206 C254 R262 A265 L268L132-I202 HydrophobicContact CD1-CD1 4.5Å; K199-I202 HydrophobicContact CD-CG1 4.37Å; K199-I202 PolarHBondContact O-N 3.01Å; A200-I202 PolarHBondContact O-N 3.07Å; I202-L205 WeakPolarHBondContact O-CB 3.44Å; I202-G206 PolarHBondContact O-N 2.85Å; I202-G206 VanDerWaalsContact O-N 3.1Å; I202-C254 HydrophobicContact CG2-CB 4.29Å; I202-C254 WeakPolarHBondContact O-CB 3.48Å; I202-R262 HydrophobicContact CG2-CB 4.08Å; I202-A265 HydrophobicContact CD1-CB 4.11Å; I202-L268 HydrophobicContact CD1-CD1 4.32Å; I202-L268 HydrophobicContact CG2-CD1 3.82Å
203W98.4Very high92.2Very high3 Ų325.5 Ų25.51%0.01115%0.149CC..Hα-helixtrans-63.7-50171.2174-78.6000110.7M186 A187 P188 K199 A200 L205 G206 I207 I231 P236 L255M186-W203 PolarHBondContact O-NE1 3.01Å; M186-W203 VanDerWaalsContact O-NE1 3.08Å; A187-W203 VanDerWaalsContact CA-CD1 3.44Å; A187-W203 HydrophobicContact CB-CB 3.73Å; A187-W203 HydrophobicContact CB-CD2 4.36Å; A187-W203 HydrophobicContact CB-CG 3.72Å; P188-W203 HydrophobicContact CG-CE3 4.32Å; P188-W203 HydrophobicContact CG-CH2 3.68Å; P188-W203 HydrophobicContact CG-CZ2 3.94Å; P188-W203 HydrophobicContact CG-CZ3 3.89Å; K199-W203 PolarHBondContact O-N 3.31Å; A200-W203 WeakPolarHBondContact O-CB 3.37Å; A200-W203 PolarHBondContact O-N 3.1Å; A200-W203 VanDerWaalsContact O-N 3.13Å; W203-L205 VanDerWaalsContact C-N 3.25Å; W203-L205 PolarHBondContact O-N 3.34Å; W203-G206 WeakPolarHBondContact O-CA 3.18Å; W203-G206 PolarHBondContact O-N 3.42Å; W203-I207 PolarHBondContact O-N 3.17Å; W203-I231 HydrophobicContact CZ2-CG2 4.01Å; W203-P236 HydrophobicContact CH2-CB 4.1Å; W203-P236 HydrophobicContact CZ3-CB 4.29Å; W203-L255 HydrophobicContact CD2-CD2 3.78Å; W203-L255 HydrophobicContact CE3-CD2 4.03Å; W203-L255 HydrophobicContact CG-CD2 4.11Å; W203-L255 HydrophobicContact CZ2-CD2 4.4Å; W203-L255 HydrophobicContact CZ3-CB 4.37Å; W203-L255 HydrophobicContact CZ3-CD2 4.45Å; W203-L255 WeakPolarHBondContact O-CD2 3.36Å
204S97.7Very high93.3Very high5 Ų522.9 Ų22.94%0.03514%0.135CC..Hα-helixtrans-57.9-39.8178.6-56.50000111.6W185 A200 D201 G206 I207 T208W185-S204 WeakPolarHBondContact O-CA 3.46Å; W185-S204 WeakPolarHBondContact O-CB 3.02Å; W185-S204 PolarHBondContact O-OG 2.86Å; A200-S204 PolarHBondContact O-N 2.95Å; A200-S204 VanDerWaalsContact O-N 3.08Å; A200-S204 PolarHBondContact O-OG 3.36Å; D201-S204 PolarHBondContact O-N 3.34Å; S204-G206 VanDerWaalsContact C-N 3.33Å; S204-G206 PolarHBondContact O-N 2.89Å; S204-I207 WeakPolarHBondContact O-CB 3.18Å; S204-I207 PolarHBondContact O-N 2.84Å; S204-I207 VanDerWaalsContact O-N 3.13Å; S204-T208 PolarHBondContact O-N 3.28Å; S204-T208 PolarHBondContact O-OG1 2.98Å
205L98.7Very high94.5Very high0 Ų021.2 Ų21.20%013%0.127CC..Hα-helixtrans-58.4-40.6171.117867.6000112.9L125 I128 L129 L132 D201 I202 W203 I207 T208 A209 F250 L268L125-L205 HydrophobicContact CD2-CD1 3.56Å; L125-L205 HydrophobicContact CD2-CG 4.4Å; I128-L205 HydrophobicContact CB-CD1 4.22Å; I128-L205 HydrophobicContact CD1-CD1 4.46Å; I128-L205 HydrophobicContact CG2-CD1 3.53Å; L129-L205 HydrophobicContact CD2-CD2 3.36Å; L129-L205 HydrophobicContact CG-CD2 3.86Å; L132-L205 HydrophobicContact CD1-CB 4.36Å; L132-L205 HydrophobicContact CD1-CD2 4.22Å; D201-L205 WeakPolarHBondContact O-CB 3.48Å; D201-L205 PolarHBondContact O-N 3.13Å; I202-L205 WeakPolarHBondContact O-CB 3.44Å; W203-L205 VanDerWaalsContact C-N 3.25Å; W203-L205 PolarHBondContact O-N 3.34Å; L205-I207 VanDerWaalsContact C-N 3.32Å; L205-T208 PolarHBondContact O-N 2.87Å; L205-A209 WeakPolarHBondContact O-CB 3.39Å; L205-A209 PolarHBondContact O-N 3.09Å; L205-F250 HydrophobicContact CD2-CZ 4.29Å; L205-L268 HydrophobicContact CD2-CD1 4.13Å
206G98.8Very high95.7Very high0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-61.9-40174.800000112.4I202 W203 S204 A209 I210I202-G206 PolarHBondContact O-N 2.85Å; I202-G206 VanDerWaalsContact O-N 3.1Å; W203-G206 WeakPolarHBondContact O-CA 3.18Å; W203-G206 PolarHBondContact O-N 3.42Å; S204-G206 VanDerWaalsContact C-N 3.33Å; S204-G206 PolarHBondContact O-N 2.89Å; G206-A209 PolarHBondContact O-N 3.03Å; G206-I210 PolarHBondContact O-N 3.49Å
207I98.6Very high96.8Very high3 Ų318.6 Ų18.62%0.01510%0.099CC..Hα-helixtrans-67.5-44.6173.5-58.1-59.4000110.8W185 W203 S204 L205 A209 I210 E211 P217 P218 P237 L255W185-I207 HydrophobicContact CB-CG2 4.4Å; W185-I207 VanDerWaalsContact CD1-CG2 3.46Å; W185-I207 HydrophobicContact CD2-CG2 4.29Å; W185-I207 HydrophobicContact CG-CB 4.29Å; W185-I207 HydrophobicContact CG-CG2 3.8Å; W203-I207 PolarHBondContact O-N 3.17Å; S204-I207 WeakPolarHBondContact O-CB 3.18Å; S204-I207 PolarHBondContact O-N 2.84Å; S204-I207 VanDerWaalsContact O-N 3.13Å; L205-I207 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 2.81Å; I207-I210 WeakPolarHBondContact O-CA 3.28Å; I207-I210 WeakPolarHBondContact O-CB 3.31Å; I207-I210 PolarHBondContact O-N 3.36Å; I207-E211 PolarHBondContact O-N 3.37Å; I207-P217 HydrophobicContact CG2-CB 3.73Å; I207-P218 HydrophobicContact CD1-CG 4.19Å; I207-P237 HydrophobicContact CD1-CG 4.25Å; I207-L255 HydrophobicContact CD1-CD1 3.97Å; I207-L255 HydrophobicContact CD1-CD2 3.74Å; I207-L255 HydrophobicContact CG1-CD2 3.99Å
208T98.6Very high97.3Very high0 Ų016.1 Ų16.10%09%0.087CC..Hα-helixtrans-60.2-33.2174.5-53.40000112I145 K146 A147 S204 L205 I210 E211 L212I145-T208 PolarHBondContact O-OG1 3.25Å; K146-T208 WeakPolarHBondContact CA-OG1 3.47Å; A147-T208 HydrophobicContact CB-CG2 4.47Å; S204-T208 PolarHBondContact O-N 3.28Å; S204-T208 PolarHBondContact O-OG1 2.98Å; L205-T208 PolarHBondContact O-N 2.87Å; T208-I210 VanDerWaalsContact C-N 3.34Å; T208-E211 WeakPolarHBondContact O-CB 3.31Å; T208-E211 PolarHBondContact O-N 3.21Å; T208-L212 HydrophobicContact CG2-CD1 4.21Å; T208-L212 HydrophobicContact CG2-CG 4.29Å; T208-L212 WeakPolarHBondContact O-CB 3.39Å; T208-L212 VanDerWaalsContact O-CG 3.23Å; T208-L212 WeakPolarHBondContact O-CG 3.34Å; T208-L212 PolarHBondContact O-N 3.14Å
209A98.9Very high97.4Very high0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-66.3-35.617400000112.3L125 L205 G206 I207 A213 F250 V251L125-A209 HydrophobicContact CD1-CB 3.85Å; L125-A209 HydrophobicContact CD2-CB 4.03Å; L205-A209 WeakPolarHBondContact O-CB 3.39Å; L205-A209 PolarHBondContact O-N 3.09Å; G206-A209 PolarHBondContact O-N 3.03Å; I207-A209 PolarHBondContact O-N 2.81Å; A209-A213 WeakPolarHBondContact O-CB 3.29Å; A209-A213 PolarHBondContact O-N 3.32Å; A209-F250 HydrophobicContact CB-CD1 4.41Å; A209-F250 HydrophobicContact CB-CE1 4.29Å; A209-V251 HydrophobicContact CB-CG2 3.95Å
210I98.8Very high97.2Very high4 Ų416.9 Ų16.92%0.0219%0.09CC..Hα-helixtrans-68.3-45.7171.7-63.9173.6000110.3G206 I207 T208 L212 A213 K214 P218 P237 L239 V251 L255G206-I210 PolarHBondContact O-N 3.49Å; I207-I210 WeakPolarHBondContact O-CA 3.28Å; I207-I210 WeakPolarHBondContact O-CB 3.31Å; I207-I210 PolarHBondContact O-N 3.36Å; T208-I210 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 2.65Å; I210-A213 PolarHBondContact O-N 3.19Å; I210-A213 VanDerWaalsContact O-N 3.08Å; I210-K214 HydrophobicContact CG2-CD 3.87Å; I210-K214 HydrophobicContact CG2-CG 4.3Å; I210-K214 WeakPolarHBondContact O-CB 3.45Å; I210-K214 PolarHBondContact O-N 2.8Å; I210-P218 HydrophobicContact CD1-CG 3.82Å; I210-P218 HydrophobicContact CG2-CG 4.16Å; I210-P237 HydrophobicContact CD1-CB 4.08Å; I210-L239 HydrophobicContact CG1-CD1 4.41Å; I210-L239 HydrophobicContact CG2-CD1 4.4Å; I210-V251 HydrophobicContact CD1-CG1 3.78Å; I210-V251 HydrophobicContact CG1-CG1 3.73Å; I210-V251 HydrophobicContact CG1-CG2 4.29Å; I210-L255 HydrophobicContact CD1-CD1 3.71Å
211E98.4Very high97.1Very high4 Ų423.3 Ų23.32%0.01912%0.12CC..Hα-helixtrans-55.7-49.1177-179.5-171-167.400111.5A147 W185 I207 T208 A213 K214 G215A147-E211 HydrophobicContact CB-CG 4.11Å; A147-E211 VanDerWaalsContact CB-OE1 3.23Å; A147-E211 WeakPolarHBondContact CB-OE1 3.27Å; A147-E211 WeakPolarHBondContact CB-OE2 3.49Å; A147-E211 PolarHBondContact N-OE1 2.73Å; A147-E211 PolarHBondContact N-OE2 3.49Å; W185-E211 VanDerWaalsContact CZ2-CD 3.44Å; W185-E211 HydrophobicContact CZ2-CG 4.29Å; W185-E211 VanDerWaalsContact CZ2-OE1 3.31Å; W185-E211 WeakPolarHBondContact CZ2-OE1 3.37Å; W185-E211 PolarHBondContact NE1-OE2 2.78Å; I207-E211 PolarHBondContact O-N 3.37Å; T208-E211 WeakPolarHBondContact O-CB 3.31Å; T208-E211 PolarHBondContact O-N 3.21Å; E211-A213 PolarHBondContact O-N 3.36Å; E211-K214 PolarHBondContact O-N 3.23Å; E211-G215 CarbonylContact O-C 3.1Å; E211-G215 WeakPolarHBondContact O-CA 3.45Å; E211-G215 PolarHBondContact O-N 3.4Å
212L98.6Very high96.8Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-63.7-27.4176.8-68.7172000113.3A107 L111 L116 I121 I124 L125 A147 T208 I210A107-L212 HydrophobicContact CB-CD2 3.95Å; L111-L212 HydrophobicContact CD1-CD2 4.48Å; L116-L212 HydrophobicContact CD1-CD2 4.08Å; I121-L212 HydrophobicContact CG1-CB 4.27Å; I121-L212 HydrophobicContact CG2-CB 4.36Å; I124-L212 HydrophobicContact CB-CD1 4.45Å; I124-L212 HydrophobicContact CG2-CD1 3.89Å; L125-L212 HydrophobicContact CD2-CD1 4.03Å; L125-L212 HydrophobicContact CG-CD1 4.2Å; A147-L212 HydrophobicContact CB-CD2 4.12Å; T208-L212 HydrophobicContact CG2-CD1 4.21Å; T208-L212 HydrophobicContact CG2-CG 4.29Å; T208-L212 WeakPolarHBondContact O-CB 3.39Å; T208-L212 VanDerWaalsContact O-CG 3.23Å; T208-L212 WeakPolarHBondContact O-CG 3.34Å; T208-L212 PolarHBondContact O-N 3.14Å; I210-L212 PolarHBondContact O-N 2.65Å
213A98.4Very high96.2Very high3 Ų331.3 Ų31.33%0.02516%0.158CC..Hα-helixtrans-84.3-39179.400000112.7I121 A209 I210 E211 L239 Y243 L247I121-A213 HydrophobicContact CD1-CB 4.07Å; A209-A213 WeakPolarHBondContact O-CB 3.29Å; A209-A213 PolarHBondContact O-N 3.32Å; I210-A213 PolarHBondContact O-N 3.19Å; I210-A213 VanDerWaalsContact O-N 3.08Å; E211-A213 PolarHBondContact O-N 3.36Å; A213-L239 HydrophobicContact CB-CD1 3.91Å; A213-L239 HydrophobicContact CB-CD2 4.34Å; A213-Y243 HydrophobicContact CB-CD1 4.46Å; A213-Y243 HydrophobicContact CB-CE1 3.81Å; A213-Y243 PolarHBondContact O-OH 3.27Å; A213-L247 HydrophobicContact CB-CD2 4.45Å
214K97.5Very high95.5Very high117 Ų11732.2 Ų32.251%0.50916%0.164SC..Hα-helixtrans-109-9.5-170.4-64.6-171.969.6-179.90114.3I210 E211 E216 L239I210-K214 HydrophobicContact CG2-CD 3.87Å; I210-K214 HydrophobicContact CG2-CG 4.3Å; I210-K214 WeakPolarHBondContact O-CB 3.45Å; I210-K214 PolarHBondContact O-N 2.8Å; E211-K214 PolarHBondContact O-N 3.23Å; K214-E216 VanDerWaalsContact C-N 3.29Å; K214-L239 HydrophobicContact CD-CD1 4.08Å; K214-L239 HydrophobicContact CG-CD1 4.03Å
215G96.6Very high94.7Very high23 Ų2337.1 Ų37.124%0.23719%0.188CC..SBendtrans91.2-26.5-173.200000113.9E211E211-G215 CarbonylContact O-C 3.1Å; E211-G215 WeakPolarHBondContact O-CA 3.45Å; E211-G215 PolarHBondContact O-N 3.4Å
216E95.8Very high94.2Very high81 Ų8142.6 Ų42.638%0.37921%0.211SC..SBendtrans-141.8150.3-169.5-70.8-78154.500110.5K214 S220K214-E216 VanDerWaalsContact C-N 3.29Å; E216-S220 WeakPolarHBondContact OE2-CB 3.26Å; E216-S220 PolarHBondContact OE2-OG 2.92Å
217P96.8Very high93.7Very high7 Ų742.6 Ų42.65%0.04521%0.211CC..  trans-70.9165.3173.635.7-40.7000111.4F184 W185 I207 H219 S220F184-P217 HydrophobicContact CB-CB 4.06Å; F184-P217 HydrophobicContact CB-CG 3.92Å; F184-P217 HydrophobicContact CG-CG 4.38Å; W185-P217 HydrophobicContact CD2-CB 4.47Å; W185-P217 HydrophobicContact CH2-CB 4.13Å; W185-P217 HydrophobicContact CH2-CG 3.47Å; W185-P217 VanDerWaalsContact CH2-CG 3.47Å; W185-P217 HydrophobicContact CZ2-CB 3.77Å; W185-P217 HydrophobicContact CZ2-CG 3.57Å; W185-P217 HydrophobicContact CZ3-CG 3.99Å; I207-P217 HydrophobicContact CG2-CB 3.73Å; P217-H219 PolarHBondContact O-N 3.47Å; P217-S220 PolarHBondContact O-N 3.12Å
218P96.5Very high93.2Very high25 Ų2543.7 Ų43.716%0.16222%0.217CC..THydrogen-bonded Turntrans-56.7139.7169.3-21.834.2000111.5I207 I210 S220 P237I207-P218 HydrophobicContact CD1-CG 4.19Å; I210-P218 HydrophobicContact CD1-CG 3.82Å; I210-P218 HydrophobicContact CG2-CG 4.16Å; P218-S220 VanDerWaalsContact C-N 3.28Å; P218-S220 PolarHBondContact O-N 3.12Å; P218-P237 HydrophobicContact CB-CB 4.05Å; P218-P237 HydrophobicContact CB-CG 4.03Å; P218-P237 HydrophobicContact CG-CB 3.66Å; P218-P237 HydrophobicContact CG-CG 3.91Å
219H93.8Very high92.6Very high53 Ų5350.8 Ų50.825%0.24525%0.248CC..THydrogen-bonded Turntrans66.718.9177.4-51.4-48.9000115.3F184 P217 E221 L222 V227F184-H219 HydrophobicContact CD1-CB 4.43Å; F184-H219 WeakPolarHBondContact CD1-O 3.43Å; F184-H219 WeakPolarHBondContact CE1-O 3.38Å; P217-H219 PolarHBondContact O-N 3.47Å; H219-E221 WeakPolarHBondContact CA-OE2 3.32Å; H219-E221 PolarHBondContact O-N 3.38Å; H219-E221 VanDerWaalsContact O-N 3.1Å; H219-L222 HydrophobicContact CB-CB 4.38Å; H219-L222 HydrophobicContact CB-CD1 3.94Å; H219-L222 HydrophobicContact CB-CG 4.17Å; H219-L222 WeakPolarHBondContact O-CB 3.1Å; H219-L222 PolarHBondContact O-N 2.91Å; H219-V227 HydrophobicContact CB-CG2 3.95Å
220S92.6Very high92.3Very high23 Ų2352.3 Ų52.316%0.16126%0.256CS..THydrogen-bonded Turntrans-58.3-24.2-179.262.50000113.7E216 P217 P218 L222E216-S220 WeakPolarHBondContact OE2-CB 3.26Å; E216-S220 PolarHBondContact OE2-OG 2.92Å; P217-S220 PolarHBondContact O-N 3.12Å; P218-S220 VanDerWaalsContact C-N 3.28Å; P218-S220 PolarHBondContact O-N 3.12Å; S220-L222 VanDerWaalsContact C-N 3.3Å; S220-L222 PolarHBondContact O-N 3.33Å
221E90.9Very high92Very high139 Ų13952.9 Ų52.965%0.6526%0.259SS*.THydrogen-bonded Turntrans-76.3-12.2175.375.6-70.1169.800114.3H219H219-E221 WeakPolarHBondContact CA-OE2 3.32Å; H219-E221 PolarHBondContact O-N 3.38Å; H219-E221 VanDerWaalsContact O-N 3.1Å
222L90.4Very high91.7Very high39 Ų3954 Ų5420%0.20427%0.267CS..SBendtrans-94.3146.7-176.9-59.4-173.3000111.8F184 H219 S220 K226 V227 L230F184-L222 WeakPolarHBondContact CE1-O 3.4Å; H219-L222 HydrophobicContact CB-CB 4.38Å; H219-L222 HydrophobicContact CB-CD1 3.94Å; H219-L222 HydrophobicContact CB-CG 4.17Å; H219-L222 WeakPolarHBondContact O-CB 3.1Å; H219-L222 PolarHBondContact O-N 2.91Å; S220-L222 VanDerWaalsContact C-N 3.3Å; S220-L222 PolarHBondContact O-N 3.33Å; L222-K226 HydrophobicContact CD1-CD 4.27Å; L222-K226 HydrophobicContact CD2-CD 4.45Å; L222-V227 HydrophobicContact CB-CG2 3.95Å; L222-L230 HydrophobicContact CD1-CD1 3.43Å; L222-L230 VanDerWaalsContact CD1-CD1 3.43Å
223H86Confident91.4Very high129 Ų12962.3 Ų62.360%0.59730%0.303SS*.  trans-57.1132.8172.6-170.9-84.2000111.1M225 K226 V227H223-M225 VanDerWaalsContact C-N 3.27Å; H223-M225 PolarHBondContact ND1-N 3.15Å; H223-M225 PolarHBondContact O-N 3.44Å; H223-M225 VanDerWaalsContact O-N 3.1Å; H223-K226 VanDerWaalsContact O-CB 3.31Å; H223-K226 WeakPolarHBondContact O-CB 3.4Å; H223-K226 PolarHBondContact O-N 2.83Å; H223-V227 PolarHBondContact O-N 2.75Å
224P82.9Confident91.3Very high21 Ų2165.2 Ų65.214%0.13632%0.318CS..Hα-helixtrans-53-39.6-172.9-26.931.1000114.3P183 F184 K226 V227 L228 F326P183-P224 HydrophobicContact CB-CB 4.39Å; P183-P224 HydrophobicContact CG-CB 3.9Å; F184-P224 HydrophobicContact CE2-CB 4.31Å; F184-P224 HydrophobicContact CE2-CG 4.1Å; F184-P224 HydrophobicContact CZ-CB 4.19Å; F184-P224 HydrophobicContact CZ-CG 3.9Å; P224-K226 VanDerWaalsContact C-N 3.27Å; P224-K226 PolarHBondContact O-N 2.8Å; P224-V227 WeakPolarHBondContact O-CB 3.42Å; P224-V227 PolarHBondContact O-N 2.89Å; P224-V227 VanDerWaalsContact O-N 3.08Å; P224-L228 PolarHBondContact O-N 3.44Å; P224-F326 HydrophobicContact CB-CD2 4.5Å; P224-F326 HydrophobicContact CB-CE2 4.34Å; P224-F326 HydrophobicContact CG-CD2 4.1Å; P224-F326 HydrophobicContact CG-CE2 4.4Å
225M81.3Confident91.2Very high109 Ų10966.8 Ų66.854%0.53733%0.332SS..Hα-helixtrans-58.6-35175.9-70.6-64.4-67.600113.6H223 V227 L228 F229H223-M225 VanDerWaalsContact C-N 3.27Å; H223-M225 PolarHBondContact ND1-N 3.15Å; H223-M225 PolarHBondContact O-N 3.44Å; H223-M225 VanDerWaalsContact O-N 3.1Å; M225-V227 VanDerWaalsContact C-N 3.33Å; M225-L228 PolarHBondContact O-N 3.19Å; M225-L228 HydrophobicContact SD-CD1 4.03Å; M225-F229 WeakPolarHBondContact O-CD2 3.49Å
226K87.9Confident91.3Very high114 Ų11467.5 Ų67.550%0.49633%0.332SS..Hα-helixtrans-68.2-37.7177.6-172.6175.8178.8-178.40110.6L222 H223 P224 L228 F229 L230L222-K226 HydrophobicContact CD1-CD 4.27Å; L222-K226 HydrophobicContact CD2-CD 4.45Å; H223-K226 VanDerWaalsContact O-CB 3.31Å; H223-K226 WeakPolarHBondContact O-CB 3.4Å; H223-K226 PolarHBondContact O-N 2.83Å; P224-K226 VanDerWaalsContact C-N 3.27Å; P224-K226 PolarHBondContact O-N 2.8Å; K226-L228 VanDerWaalsContact C-N 3.27Å; K226-L228 PolarHBondContact O-N 3.08Å; K226-F229 PolarHBondContact O-N 3.37Å; K226-F229 VanDerWaalsContact O-N 3.08Å; K226-L230 HydrophobicContact CG-CD1 4.08Å; K226-L230 HydrophobicContact CG-CG 4.38Å; K226-L230 WeakPolarHBondContact O-CG 3.33Å; K226-L230 PolarHBondContact O-N 3.32Å; K226-L230 VanDerWaalsContact O-N 3.16Å
227V88.8Confident91.4Very high0 Ų065 Ų650%032%0.324CS..Hα-helixtrans-63.4-33.9-179.7178.50000111.7P183 F184 H219 L222 H223 P224 M225 F229 L230 I231P183-V227 HydrophobicContact CB-CG1 4.49Å; F184-V227 HydrophobicContact CD1-CB 4.39Å; F184-V227 HydrophobicContact CD1-CG1 4.07Å; F184-V227 HydrophobicContact CD1-CG2 3.82Å; F184-V227 HydrophobicContact CE1-CB 4.35Å; F184-V227 HydrophobicContact CE1-CG2 3.53Å; F184-V227 HydrophobicContact CZ-CG2 4.41Å; H219-V227 HydrophobicContact CB-CG2 3.95Å; L222-V227 HydrophobicContact CB-CG2 3.95Å; H223-V227 PolarHBondContact O-N 2.75Å; P224-V227 WeakPolarHBondContact O-CB 3.42Å; P224-V227 PolarHBondContact O-N 2.89Å; P224-V227 VanDerWaalsContact O-N 3.08Å; M225-V227 VanDerWaalsContact C-N 3.33Å; V227-F229 PolarHBondContact O-N 3.48Å; V227-L230 PolarHBondContact O-N 3.3Å; V227-L230 VanDerWaalsContact O-N 3.09Å; V227-I231 HydrophobicContact CG1-CD1 3.39Å; V227-I231 HydrophobicContact CG1-CG1 3.76Å; V227-I231 PolarHBondContact O-N 3.09Å
228L86.9Confident91.4Very high26 Ų2669 Ų6914%0.13635%0.348CS..Hα-helixtrans-58.4-29173.4-57.1-172.4000113.7F179 P183 I191 P224 M225 K226 P232F179-L228 HydrophobicContact CD1-CD1 3.94Å; F179-L228 HydrophobicContact CD1-CD2 3.99Å; F179-L228 HydrophobicContact CD2-CD1 4.45Å; F179-L228 HydrophobicContact CE1-CD1 3.89Å; F179-L228 HydrophobicContact CE1-CD2 3.13Å; F179-L228 HydrophobicContact CE1-CG 4.15Å; F179-L228 HydrophobicContact CE2-CD1 4.41Å; F179-L228 HydrophobicContact CE2-CD2 4.29Å; F179-L228 HydrophobicContact CG-CD1 4.23Å; F179-L228 HydrophobicContact CZ-CD1 4.14Å; F179-L228 HydrophobicContact CZ-CD2 3.33Å; F179-L228 HydrophobicContact CZ-CG 4.33Å; P183-L228 HydrophobicContact CB-CD2 3.66Å; P183-L228 HydrophobicContact CG-CD2 4.02Å; I191-L228 HydrophobicContact CG2-CB 4.31Å; I191-L228 HydrophobicContact CG2-CD2 4.37Å; I191-L228 WeakPolarHBondContact CG2-O 3.4Å; P224-L228 PolarHBondContact O-N 3.44Å; M225-L228 PolarHBondContact O-N 3.19Å; M225-L228 HydrophobicContact SD-CD1 4.03Å; K226-L228 VanDerWaalsContact C-N 3.27Å; K226-L228 PolarHBondContact O-N 3.08Å; L228-P232 WeakPolarHBondContact O-CD 3.29Å; L228-P232 VanDerWaalsContact O-CG 3.28Å; L228-P232 WeakPolarHBondContact O-CG 3.48Å
229F87.9Confident91.5Very high149 Ų14968.1 Ų68.165%0.65434%0.341SS*.Hα-helixtrans-87.5-33.8174.7-63.9-78.5000112.5M225 K226 V227 K233M225-F229 WeakPolarHBondContact O-CD2 3.49Å; K226-F229 PolarHBondContact O-N 3.37Å; K226-F229 VanDerWaalsContact O-N 3.08Å; V227-F229 PolarHBondContact O-N 3.48Å; F229-K233 VanDerWaalsContact O-CB 3.27Å; F229-K233 WeakPolarHBondContact O-CB 3.4Å
230L91.8Very high91.6Very high33 Ų3371.9 Ų71.917%0.17336%0.359CS..Hα-helixtrans-74.1-46.2-175.6-67.1177.9000112.6L222 K226 V227 K233 N234L222-L230 HydrophobicContact CD1-CD1 3.43Å; L222-L230 VanDerWaalsContact CD1-CD1 3.43Å; K226-L230 HydrophobicContact CG-CD1 4.08Å; K226-L230 HydrophobicContact CG-CG 4.38Å; K226-L230 WeakPolarHBondContact O-CG 3.33Å; K226-L230 PolarHBondContact O-N 3.32Å; K226-L230 VanDerWaalsContact O-N 3.16Å; V227-L230 PolarHBondContact O-N 3.3Å; V227-L230 VanDerWaalsContact O-N 3.09Å; L230-K233 PolarHBondContact O-N 3.26Å; L230-N234 WeakPolarHBondContact O-CB 3.43Å; L230-N234 PolarHBondContact O-N 2.86Å
231I92.6Very high91.8Very high16 Ų1673.1 Ų73.18%0.08238%0.376CS..Hα-helixtrans-58-46.3-176.7-68.9172.3000111.5P183 P188 I191 W203 V227 K233 K257P183-I231 WeakPolarHBondContact O-CD1 3.15Å; P188-I231 HydrophobicContact CB-CG2 4.36Å; P188-I231 HydrophobicContact CG-CG2 3.87Å; I191-I231 HydrophobicContact CD1-CB 3.55Å; I191-I231 HydrophobicContact CD1-CD1 3.82Å; I191-I231 HydrophobicContact CD1-CG1 4.27Å; I191-I231 HydrophobicContact CD1-CG2 3.49Å; I191-I231 VanDerWaalsContact CD1-CG2 3.49Å; W203-I231 HydrophobicContact CZ2-CG2 4.01Å; V227-I231 HydrophobicContact CG1-CD1 3.39Å; V227-I231 HydrophobicContact CG1-CG1 3.76Å; V227-I231 PolarHBondContact O-N 3.09Å; I231-K233 VanDerWaalsContact C-N 3.34Å; I231-K233 PolarHBondContact O-N 2.92Å; I231-K257 PolarHBondContact O-NZ 3.08Å
232P91.8Very high92.1Very high27 Ų2774.5 Ų74.518%0.17539%0.388CS..Hα-helixtrans-65.4-29.7174.6-29.340.6000115.1I191 K192 L228 K257I191-P232 HydrophobicContact CB-CG 4.11Å; I191-P232 HydrophobicContact CD1-CG 4.31Å; I191-P232 HydrophobicContact CG2-CG 3.71Å; K192-P232 HydrophobicContact CG-CB 4.39Å; K192-P232 HydrophobicContact CG-CG 4.46Å; L228-P232 WeakPolarHBondContact O-CD 3.29Å; L228-P232 VanDerWaalsContact O-CG 3.28Å; L228-P232 WeakPolarHBondContact O-CG 3.48Å; P232-K257 PolarHBondContact O-NZ 3.02Å
233K93.1Very high92.4Very high174 Ų17475.5 Ų75.576%0.75739%0.389SS*.Hα-helixtrans-92.5-45-171-174.6179.9179.1-179.30114.2F229 L230 I231F229-K233 VanDerWaalsContact O-CB 3.27Å; F229-K233 WeakPolarHBondContact O-CB 3.4Å; L230-K233 PolarHBondContact O-N 3.26Å; I231-K233 VanDerWaalsContact C-N 3.34Å; I231-K233 PolarHBondContact O-N 2.92Å
234N94.9Very high93Very high65 Ų6570.9 Ų70.935%0.34837%0.372SS..SBendtrans-79.6164-172.7-70.3-0.1000112.2L230 K257L230-N234 WeakPolarHBondContact O-CB 3.43Å; L230-N234 PolarHBondContact O-N 2.86Å; N234-K257 WeakPolarHBondContact O-CE 3.5Å; N234-K257 PolarHBondContact O-NZ 2.85Å
235N96.8Very high93.8Very high150 Ų15077.2 Ų77.280%0.80240%0.397SS*.PPolyproline II helixtrans-60.4153.9167.1-69.6-31.5000110.7
236P97.6Very high94.6Very high37 Ų3773.2 Ų73.224%0.2438%0.378CS..PPolyproline II helixtrans-55.3143.8175.9-21.731.7000111.8W203 L255 K257W203-P236 HydrophobicContact CH2-CB 4.1Å; W203-P236 HydrophobicContact CZ3-CB 4.29Å; P236-L255 HydrophobicContact CB-CB 4.09Å; P236-L255 WeakPolarHBondContact CB-O 3.48Å; P236-L255 VanDerWaalsContact CG-O 3.25Å; P236-L255 WeakPolarHBondContact CG-O 3.16Å; P236-K257 HydrophobicContact CG-CG 3.78Å
237P97.6Very high95.1Very high30 Ų3067.8 Ų67.820%0.19535%0.354CS..PPolyproline II helixtrans-58.7150.7173.6-22.333000111.8I207 I210 P218 L255I207-P237 HydrophobicContact CD1-CG 4.25Å; I210-P237 HydrophobicContact CD1-CB 4.08Å; P218-P237 HydrophobicContact CB-CB 4.05Å; P218-P237 HydrophobicContact CB-CG 4.03Å; P218-P237 HydrophobicContact CG-CB 3.66Å; P218-P237 HydrophobicContact CG-CG 3.91Å; P237-L255 HydrophobicContact CB-CD1 4.18Å; P237-L255 WeakPolarHBondContact O-CD1 3.41Å
238T98Very high95.6Very high90 Ų9071.4 Ų71.455%0.55237%0.37SS*.  trans-122.7156.1172.763.50000110.1E240T238-E240 PolarHBondContact O-N 3.08Å
239L98.2Very high96.2Very high6 Ų672.9 Ų72.93%0.03138%0.376CS..  trans-82100.1174.6-17866.1000110.5I210 A213 K214 Y243 L247 K248 V251I210-L239 HydrophobicContact CG1-CD1 4.41Å; I210-L239 HydrophobicContact CG2-CD1 4.4Å; A213-L239 HydrophobicContact CB-CD1 3.91Å; A213-L239 HydrophobicContact CB-CD2 4.34Å; K214-L239 HydrophobicContact CD-CD1 4.08Å; K214-L239 HydrophobicContact CG-CD1 4.03Å; L239-Y243 HydrophobicContact CD1-CD2 3.94Å; L239-Y243 HydrophobicContact CD1-CE2 3.84Å; L239-Y243 HydrophobicContact CD2-CD1 4.35Å; L239-Y243 HydrophobicContact CD2-CD2 3.8Å; L239-Y243 HydrophobicContact CD2-CE2 4.42Å; L239-Y243 HydrophobicContact CD2-CG 3.76Å; L239-Y243 HydrophobicContact CG-CD2 3.68Å; L239-Y243 HydrophobicContact CG-CE2 4.13Å; L239-Y243 HydrophobicContact CG-CG 4.18Å; L239-L247 HydrophobicContact CD2-CB 4.43Å; L239-L247 HydrophobicContact CD2-CD1 4.43Å; L239-L247 HydrophobicContact CD2-CD2 3.55Å; L239-L247 HydrophobicContact CD2-CG 3.49Å; L239-L247 VanDerWaalsContact CD2-CG 3.49Å; L239-K248 HydrophobicContact CB-CG 4.34Å; L239-K248 HydrophobicContact CD2-CG 4.45Å; L239-K248 VanDerWaalsContact O-CE 3.28Å; L239-K248 WeakPolarHBondContact O-CE 3.15Å; L239-V251 HydrophobicContact CB-CB 4.34Å; L239-V251 HydrophobicContact CB-CG1 4.28Å; L239-V251 HydrophobicContact CB-CG2 4.17Å; L239-V251 HydrophobicContact CD2-CG2 4.35Å
240E96.1Very high96.7Very high132 Ų13265.8 Ų65.862%0.61735%0.345SS*.  trans-82.1160174-61-173.9163.500112.3T238 Y243T238-E240 PolarHBondContact O-N 3.08Å; E240-Y243 WeakPolarHBondContact O-CD2 3.27Å; E240-Y243 WeakPolarHBondContact O-CE2 3.43Å
241G95.9Very high97Very high50 Ų5064.2 Ų64.252%0.51534%0.337SS..SBendtrans102.3-173.1179.600000114.5Y243 K248G241-Y243 VanDerWaalsContact C-N 3.3Å; G241-Y243 PolarHBondContact O-N 3.47Å; G241-Y243 VanDerWaalsContact O-N 3.08Å; G241-K248 WeakPolarHBondContact O-CE 3.15Å; G241-K248 PolarHBondContact O-NZ 3.19Å
242N97Very high97.3Very high168 Ų16869.7 Ų69.790%0.89836%0.362SS*.SBendtrans-86.964.1-174.5-169.632.4000112.3
243Y98.2Very high97.6Very high59 Ų5969.9 Ų69.923%0.23137%0.366CS..  trans-109.3156.6174.3-58.9-81.2000111.1A213 L239 E240 G241 L247 K248A213-Y243 HydrophobicContact CB-CD1 4.46Å; A213-Y243 HydrophobicContact CB-CE1 3.81Å; A213-Y243 PolarHBondContact O-OH 3.27Å; L239-Y243 HydrophobicContact CD1-CD2 3.94Å; L239-Y243 HydrophobicContact CD1-CE2 3.84Å; L239-Y243 HydrophobicContact CD2-CD1 4.35Å; L239-Y243 HydrophobicContact CD2-CD2 3.8Å; L239-Y243 HydrophobicContact CD2-CE2 4.42Å; L239-Y243 HydrophobicContact CD2-CG 3.76Å; L239-Y243 HydrophobicContact CG-CD2 3.68Å; L239-Y243 HydrophobicContact CG-CE2 4.13Å; L239-Y243 HydrophobicContact CG-CG 4.18Å; E240-Y243 WeakPolarHBondContact O-CD2 3.27Å; E240-Y243 WeakPolarHBondContact O-CE2 3.43Å; G241-Y243 VanDerWaalsContact C-N 3.3Å; G241-Y243 PolarHBondContact O-N 3.47Å; G241-Y243 VanDerWaalsContact O-N 3.08Å; Y243-L247 HydrophobicContact CD1-CD2 3.97Å; Y243-L247 HydrophobicContact CG-CD2 4.31Å; Y243-K248 WeakPolarHBondContact O-CE 3.49Å
244S98.6Very high97.9Very high33 Ų3361.6 Ų61.623%0.23133%0.33CS..  trans-58.7146.8177.882.30000111.1E118 L246 L247 K248E118-S244 WeakPolarHBondContact OE1-CB 3.31Å; E118-S244 PolarHBondContact OE1-N 2.86Å; E118-S244 WeakPolarHBondContact OE2-CB 3.38Å; E118-S244 PolarHBondContact OE2-OG 3.1Å; S244-L246 PolarHBondContact O-N 3.29Å; S244-L246 VanDerWaalsContact O-N 3.12Å; S244-L246 PolarHBondContact OG-N 2.9Å; S244-L247 PolarHBondContact O-N 3.11Å; S244-L247 VanDerWaalsContact O-N 3.15Å; S244-L247 PolarHBondContact OG-N 2.97Å; S244-K248 PolarHBondContact O-N 3.41Å
245K98.5Very high98.1Very high154 Ų15458.7 Ų58.767%0.6731%0.314SS*.Hα-helixtrans-54.1-34.2174.5-166-173.6-172.3-122.90111.5K248 E249K245-K248 PolarHBondContact O-N 2.76Å; K245-E249 WeakPolarHBondContact CD-OE1 3.3Å; K245-E249 WeakPolarHBondContact CE-OE1 3.32Å; K245-E249 HydrophobicContact CG-CG 4.37Å; K245-E249 IonicContact NZ-OE1 2.67Å; K245-E249 PolarHBondContact NZ-OE1 2.83Å; K245-E249 WeakPolarHBondContact O-CB 3.42Å; K245-E249 VanDerWaalsContact O-CG 3.25Å; K245-E249 WeakPolarHBondContact O-CG 3.47Å; K245-E249 PolarHBondContact O-N 3.37Å
246L98.7Very high98.2Very high25 Ų2554.2 Ų54.213%0.13129%0.29CS..Hα-helixtrans-69-39.2-177.9-64.9178.9000112.5S244 F250 H271 K272 F273S244-L246 PolarHBondContact O-N 3.29Å; S244-L246 VanDerWaalsContact O-N 3.12Å; S244-L246 PolarHBondContact OG-N 2.9Å; L246-F250 WeakPolarHBondContact O-CB 3.2Å; L246-F250 PolarHBondContact O-N 3.31Å; L246-H271 PolarHBondContact O-CE1 3.16Å; L246-K272 HydrophobicContact CD1-CB 4.46Å; L246-K272 HydrophobicContact CD2-CB 3.81Å; L246-K272 HydrophobicContact CD2-CD 4.28Å; L246-F273 HydrophobicContact CB-CB 4.05Å; L246-F273 HydrophobicContact CB-CD2 4.17Å
247L98.8Very high98.1Very high0 Ų055.3 Ų55.30%029%0.291CS..Hα-helixtrans-67.8-41.9174.4178.255.4000110.9E118 I121 A213 L239 Y243 S244 E249 F250 V251 F273E118-L247 HydrophobicContact CG-CD2 4.1Å; I121-L247 HydrophobicContact CD1-CD2 4.48Å; I121-L247 HydrophobicContact CG2-CD1 4.37Å; A213-L247 HydrophobicContact CB-CD2 4.45Å; L239-L247 HydrophobicContact CD2-CB 4.43Å; L239-L247 HydrophobicContact CD2-CD1 4.43Å; L239-L247 HydrophobicContact CD2-CD2 3.55Å; L239-L247 HydrophobicContact CD2-CG 3.49Å; L239-L247 VanDerWaalsContact CD2-CG 3.49Å; Y243-L247 HydrophobicContact CD1-CD2 3.97Å; Y243-L247 HydrophobicContact CG-CD2 4.31Å; S244-L247 PolarHBondContact O-N 3.11Å; S244-L247 VanDerWaalsContact O-N 3.15Å; S244-L247 PolarHBondContact OG-N 2.97Å; L247-E249 PolarHBondContact O-N 3.34Å; L247-F250 WeakPolarHBondContact O-CB 3.42Å; L247-F250 PolarHBondContact O-N 3.32Å; L247-F250 VanDerWaalsContact O-N 3.17Å; L247-V251 HydrophobicContact CD1-CG2 4.37Å; L247-V251 WeakPolarHBondContact O-CG2 3.4Å; L247-V251 PolarHBondContact O-N 3.38Å; L247-F273 HydrophobicContact CB-CD2 3.84Å; L247-F273 HydrophobicContact CB-CE2 3.66Å; L247-F273 HydrophobicContact CB-CG 4.43Å; L247-F273 HydrophobicContact CB-CZ 4.09Å; L247-F273 HydrophobicContact CD1-CD1 4.08Å; L247-F273 HydrophobicContact CD1-CE1 3.61Å; L247-F273 HydrophobicContact CD1-CE2 4.13Å; L247-F273 HydrophobicContact CD1-CZ 3.63Å; L247-F273 HydrophobicContact CD2-CZ 4.34Å; L247-F273 HydrophobicContact CG-CE2 4.28Å; L247-F273 HydrophobicContact CG-CZ 4.2Å
248K98.8Very high98Very high76 Ų7658.3 Ų58.333%0.3330%0.303SS..Hα-helixtrans-59.8-45.7175.6-64.7-175.8179.7-175.80112.1L239 G241 Y243 S244 K245 F250 V251 E252L239-K248 HydrophobicContact CB-CG 4.34Å; L239-K248 HydrophobicContact CD2-CG 4.45Å; L239-K248 VanDerWaalsContact O-CE 3.28Å; L239-K248 WeakPolarHBondContact O-CE 3.15Å; G241-K248 WeakPolarHBondContact O-CE 3.15Å; G241-K248 PolarHBondContact O-NZ 3.19Å; Y243-K248 WeakPolarHBondContact O-CE 3.49Å; S244-K248 PolarHBondContact O-N 3.41Å; K245-K248 PolarHBondContact O-N 2.76Å; K248-F250 VanDerWaalsContact C-N 3.32Å; K248-F250 PolarHBondContact O-N 2.97Å; K248-V251 PolarHBondContact O-N 3.2Å; K248-E252 WeakPolarHBondContact O-CB 3.5Å; K248-E252 PolarHBondContact O-N 3.21Å
249E98.7Very high97.9Very high56 Ų5655.3 Ų55.326%0.26229%0.285SS..Hα-helixtrans-62.1-36.6175.1-74.7171.8178.300112.1K245 L247 A253K245-E249 WeakPolarHBondContact CD-OE1 3.3Å; K245-E249 WeakPolarHBondContact CE-OE1 3.32Å; K245-E249 HydrophobicContact CG-CG 4.37Å; K245-E249 IonicContact NZ-OE1 2.67Å; K245-E249 PolarHBondContact NZ-OE1 2.83Å; K245-E249 WeakPolarHBondContact O-CB 3.42Å; K245-E249 VanDerWaalsContact O-CG 3.25Å; K245-E249 WeakPolarHBondContact O-CG 3.47Å; K245-E249 PolarHBondContact O-N 3.37Å; L247-E249 PolarHBondContact O-N 3.34Å; E249-A253 WeakPolarHBondContact O-CB 3.38Å; E249-A253 PolarHBondContact O-N 3.11Å
250F98.9Very high97.8Very high0 Ų058.8 Ų58.80%031%0.309CS..Hα-helixtrans-63.7-47.3175.3-178.8-85.8000111.3L125 L129 L205 A209 L246 L247 K248 A253 C254 L268 H271 F273 I274L125-F250 HydrophobicContact CD1-CD1 4.33Å; L125-F250 HydrophobicContact CD1-CE1 3.86Å; L125-F250 HydrophobicContact CD1-CZ 4.35Å; L129-F250 HydrophobicContact CD1-CE2 4.09Å; L129-F250 HydrophobicContact CD1-CZ 4.05Å; L205-F250 HydrophobicContact CD2-CZ 4.29Å; A209-F250 HydrophobicContact CB-CD1 4.41Å; A209-F250 HydrophobicContact CB-CE1 4.29Å; L246-F250 WeakPolarHBondContact O-CB 3.2Å; L246-F250 PolarHBondContact O-N 3.31Å; L247-F250 WeakPolarHBondContact O-CB 3.42Å; L247-F250 PolarHBondContact O-N 3.32Å; L247-F250 VanDerWaalsContact O-N 3.17Å; K248-F250 VanDerWaalsContact C-N 3.32Å; K248-F250 PolarHBondContact O-N 2.97Å; F250-A253 PolarHBondContact O-N 3.23Å; F250-C254 PolarHBondContact O-N 3.26Å; F250-C254 PolarHBondContact O-SG 3.23Å; F250-C254 VanDerWaalsContact O-SG 3.4Å; F250-L268 HydrophobicContact CD2-CD2 4.06Å; F250-L268 HydrophobicContact CE2-CB 4.14Å; F250-L268 HydrophobicContact CE2-CD2 3.79Å; F250-L268 HydrophobicContact CE2-CG 4.41Å; F250-L268 HydrophobicContact CZ-CD2 4.36Å; F250-H271 HydrophobicContact CD2-CB 3.95Å; F250-H271 AromaticContact CD2-CG 3.77Å; F250-H271 AromaticContact CD2-ND1 3.6Å; F250-H271 HydrophobicContact CE2-CB 4.37Å; F250-F273 HydrophobicContact CB-CB 4.17Å; F250-F273 HydrophobicContact CB-CD1 4.3Å; F250-F273 HydrophobicContact CB-CG 4.44Å; F250-F273 HydrophobicContact CD2-CD1 4.35Å; F250-F273 HydrophobicContact CG-CD1 4.22Å; F250-I274 HydrophobicContact CD2-CG1 4.23Å; F250-I274 HydrophobicContact CE2-CD1 4.01Å; F250-I274 HydrophobicContact CE2-CG1 3.77Å; F250-I274 HydrophobicContact CZ-CD1 4.42Å
251V98.9Very high97.9Very high0 Ų059.5 Ų59.50%031%0.311CS..Hα-helixtrans-61.7-46.7177.5171.40000110.8A209 I210 L239 L247 K248 A253 C254 L255A209-V251 HydrophobicContact CB-CG2 3.95Å; I210-V251 HydrophobicContact CD1-CG1 3.78Å; I210-V251 HydrophobicContact CG1-CG1 3.73Å; I210-V251 HydrophobicContact CG1-CG2 4.29Å; L239-V251 HydrophobicContact CB-CB 4.34Å; L239-V251 HydrophobicContact CB-CG1 4.28Å; L239-V251 HydrophobicContact CB-CG2 4.17Å; L239-V251 HydrophobicContact CD2-CG2 4.35Å; L247-V251 HydrophobicContact CD1-CG2 4.37Å; L247-V251 WeakPolarHBondContact O-CG2 3.4Å; L247-V251 PolarHBondContact O-N 3.38Å; K248-V251 PolarHBondContact O-N 3.2Å; V251-A253 VanDerWaalsContact C-N 3.33Å; V251-A253 PolarHBondContact O-N 3.25Å; V251-C254 PolarHBondContact O-N 3.24Å; V251-L255 HydrophobicContact CG1-CD1 3.65Å; V251-L255 HydrophobicContact CG1-CG 4.26Å; V251-L255 WeakPolarHBondContact O-CB 3.38Å; V251-L255 WeakPolarHBondContact O-CG 3.47Å; V251-L255 PolarHBondContact O-N 2.85Å
252E98.7Very high98Very high131 Ų13157.2 Ų57.261%0.61229%0.286SS*.Hα-helixtrans-60.7-40.1178.3-174.5179.7-176.200112.4K248 C254 L255K248-E252 WeakPolarHBondContact O-CB 3.5Å; K248-E252 PolarHBondContact O-N 3.21Å; E252-C254 VanDerWaalsContact C-N 3.33Å; E252-C254 PolarHBondContact O-N 2.83Å; E252-L255 PolarHBondContact O-N 3.48Å
253A98.7Very high98.1Very high31 Ų3150.5 Ų50.526%0.25625%0.252SS..Hα-helixtrans-62.9-39.1176.700000112.3E249 F250 V251 P263E249-A253 WeakPolarHBondContact O-CB 3.38Å; E249-A253 PolarHBondContact O-N 3.11Å; F250-A253 PolarHBondContact O-N 3.23Å; V251-A253 VanDerWaalsContact C-N 3.33Å; V251-A253 PolarHBondContact O-N 3.25Å; A253-P263 HydrophobicContact CB-CG 4.28Å; A253-P263 WeakPolarHBondContact O-CD 2.98Å
254C98.8Very high98.1Very high0 Ų050.2 Ų50.20%026%0.257CS..Hα-helixtrans-71.1-42.6176.3-67.20000112.3I202 F250 V251 E252 N256 R262 L268I202-C254 HydrophobicContact CG2-CB 4.29Å; I202-C254 WeakPolarHBondContact O-CB 3.48Å; F250-C254 PolarHBondContact O-N 3.26Å; F250-C254 PolarHBondContact O-SG 3.23Å; F250-C254 VanDerWaalsContact O-SG 3.4Å; V251-C254 PolarHBondContact O-N 3.24Å; E252-C254 VanDerWaalsContact C-N 3.33Å; E252-C254 PolarHBondContact O-N 2.83Å; C254-N256 VanDerWaalsContact C-N 3.3Å; C254-N256 PolarHBondContact O-N 3.32Å; C254-N256 VanDerWaalsContact O-N 3.09Å; C254-R262 VanDerWaalsContact O-CD 3.27Å; C254-R262 WeakPolarHBondContact O-CD 3.25Å; C254-R262 WeakPolarHBondContact O-CG 3.48Å; C254-L268 VanDerWaalsContact SG-CD1 3.59Å
255L98.6Very high98.1Very high5 Ų548.8 Ų48.83%0.02625%0.247CC..  trans-90.359.8-172-59.9-176000112.1W203 I207 I210 P236 P237 V251 E252W203-L255 HydrophobicContact CD2-CD2 3.78Å; W203-L255 HydrophobicContact CE3-CD2 4.03Å; W203-L255 HydrophobicContact CG-CD2 4.11Å; W203-L255 HydrophobicContact CZ2-CD2 4.4Å; W203-L255 HydrophobicContact CZ3-CB 4.37Å; W203-L255 HydrophobicContact CZ3-CD2 4.45Å; W203-L255 WeakPolarHBondContact O-CD2 3.36Å; I207-L255 HydrophobicContact CD1-CD1 3.97Å; I207-L255 HydrophobicContact CD1-CD2 3.74Å; I207-L255 HydrophobicContact CG1-CD2 3.99Å; I210-L255 HydrophobicContact CD1-CD1 3.71Å; P236-L255 HydrophobicContact CB-CB 4.09Å; P236-L255 WeakPolarHBondContact CB-O 3.48Å; P236-L255 VanDerWaalsContact CG-O 3.25Å; P236-L255 WeakPolarHBondContact CG-O 3.16Å; P237-L255 HydrophobicContact CB-CD1 4.18Å; P237-L255 WeakPolarHBondContact O-CD1 3.41Å; V251-L255 HydrophobicContact CG1-CD1 3.65Å; V251-L255 HydrophobicContact CG1-CG 4.26Å; V251-L255 WeakPolarHBondContact O-CB 3.38Å; V251-L255 WeakPolarHBondContact O-CG 3.47Å; V251-L255 PolarHBondContact O-N 2.85Å; E252-L255 PolarHBondContact O-N 3.48Å
256N98.1Very high98.1Very high55 Ų5546.8 Ų46.829%0.29424%0.238SC..  trans-100.4134.9170-159.7-54.8000110.8C254 E258 F261 R262C254-N256 VanDerWaalsContact C-N 3.3Å; C254-N256 PolarHBondContact O-N 3.32Å; C254-N256 VanDerWaalsContact O-N 3.09Å; N256-E258 VanDerWaalsContact C-N 3.25Å; N256-E258 PolarHBondContact O-N 2.84Å; N256-E258 PolarHBondContact OD1-N 2.72Å; N256-F261 HydrophobicContact CB-CB 4.38Å; N256-R262 HydrophobicContact CB-CG 3.99Å; N256-R262 VanDerWaalsContact O-CZ 3.29Å; N256-R262 PolarHBondContact O-NE 2.84Å; N256-R262 PolarHBondContact O-NH2 3.3Å
257K95.5Very high98.1Very high61 Ų6150.6 Ų50.627%0.26526%0.255SS..SBendtrans-64.6-32.4177-73.2-122.4-172.7-167.90112.8P188 I231 P232 N234 P236 P259P188-K257 HydrophobicContact CG-CD 4.29Å; I231-K257 PolarHBondContact O-NZ 3.08Å; P232-K257 PolarHBondContact O-NZ 3.02Å; N234-K257 WeakPolarHBondContact O-CE 3.5Å; N234-K257 PolarHBondContact O-NZ 2.85Å; P236-K257 HydrophobicContact CG-CG 3.78Å; K257-P259 VanDerWaalsContact O-CD 3.29Å; K257-P259 WeakPolarHBondContact O-CD 3.31Å
258E96.3Very high98.1Very high92 Ų9250.8 Ų50.843%0.4326%0.256SS..SBendtrans-83.9109.8176.8-17853.8-110.600109.2N256 S260 F261N256-E258 VanDerWaalsContact C-N 3.25Å; N256-E258 PolarHBondContact O-N 2.84Å; N256-E258 PolarHBondContact OD1-N 2.72Å; E258-S260 WeakPolarHBondContact CG-OG 3.2Å; E258-S260 PolarHBondContact O-N 2.74Å; E258-S260 PolarHBondContact OE1-OG 3.13Å; E258-F261 HydrophobicContact CB-CB 4.37Å; E258-F261 HydrophobicContact CB-CD2 3.6Å; E258-F261 HydrophobicContact CB-CE2 4.08Å; E258-F261 HydrophobicContact CB-CG 4.08Å; E258-F261 HydrophobicContact CG-CB 4.49Å; E258-F261 HydrophobicContact CG-CD1 4.32Å; E258-F261 HydrophobicContact CG-CD2 3.68Å; E258-F261 HydrophobicContact CG-CE1 4.49Å; E258-F261 HydrophobicContact CG-CE2 3.89Å; E258-F261 HydrophobicContact CG-CG 3.91Å; E258-F261 HydrophobicContact CG-CZ 4.29Å; E258-F261 PolarHBondContact O-N 3.3Å
259P95.7Very high98.1Very high28 Ų2849 Ų4918%0.18225%0.25CC..G310 helixtrans-61.2-30.4-174.5-2436000113.1E189 K199 K257 F261 R262E189-P259 HydrophobicContact CB-CG 4.47Å; E189-P259 HydrophobicContact CG-CG 4.05Å; K199-P259 HydrophobicContact CB-CB 3.96Å; K199-P259 HydrophobicContact CG-CB 4.49Å; K199-P259 WeakPolarHBondContact CG-O 3.22Å; K199-P259 PolarHBondContact NZ-O 2.95Å; K257-P259 VanDerWaalsContact O-CD 3.29Å; K257-P259 WeakPolarHBondContact O-CD 3.31Å; P259-F261 PolarHBondContact O-N 3.08Å; P259-R262 PolarHBondContact O-N 3.02Å
260S96.4Very high98.1Very high78 Ų7855 Ų5555%0.54527%0.27SS..G310 helixtrans-66.1-26.1177.864.60000113.2E258E258-S260 WeakPolarHBondContact CG-OG 3.2Å; E258-S260 PolarHBondContact O-N 2.74Å; E258-S260 PolarHBondContact OE1-OG 3.13Å
261F98Very high98.1Very high147 Ų14756.9 Ų56.965%0.64528%0.279SS*.G310 helixtrans-84-13.1178-64.9-19000113.6N256 E258 P259N256-F261 HydrophobicContact CB-CB 4.38Å; E258-F261 HydrophobicContact CB-CB 4.37Å; E258-F261 HydrophobicContact CB-CD2 3.6Å; E258-F261 HydrophobicContact CB-CE2 4.08Å; E258-F261 HydrophobicContact CB-CG 4.08Å; E258-F261 HydrophobicContact CG-CB 4.49Å; E258-F261 HydrophobicContact CG-CD1 4.32Å; E258-F261 HydrophobicContact CG-CD2 3.68Å; E258-F261 HydrophobicContact CG-CE1 4.49Å; E258-F261 HydrophobicContact CG-CE2 3.89Å; E258-F261 HydrophobicContact CG-CG 3.91Å; E258-F261 HydrophobicContact CG-CZ 4.29Å; E258-F261 PolarHBondContact O-N 3.3Å; P259-F261 PolarHBondContact O-N 3.08Å
262R98.6Very high98.1Very high2 Ų262.8 Ų62.81%0.00831%0.305CS..SBendtrans-69.8130.2171.2-58-178.4-159.9142.911.3109.1E189 K199 I202 C254 N256 P259E189-R262 IonicContact OE1-CZ 2.85Å; E189-R262 IonicContact OE1-NH1 2.65Å; E189-R262 PolarHBondContact OE1-NH1 3.15Å; E189-R262 IonicContact OE1-NH2 2.88Å; E189-R262 PolarHBondContact OE1-NH2 3.41Å; E189-R262 IonicContact OE2-CZ 2.84Å; E189-R262 IonicContact OE2-NH1 3.13Å; E189-R262 IonicContact OE2-NH2 2.72Å; E189-R262 PolarHBondContact OE2-NH2 2.94Å; K199-R262 HydrophobicContact CD-CB 4.43Å; K199-R262 PolarHBondContact NZ-O 3.26Å; K199-R262 PolarHBondContact O-NH1 3.43Å; I202-R262 HydrophobicContact CG2-CB 4.08Å; C254-R262 VanDerWaalsContact O-CD 3.27Å; C254-R262 WeakPolarHBondContact O-CD 3.25Å; C254-R262 WeakPolarHBondContact O-CG 3.48Å; N256-R262 HydrophobicContact CB-CG 3.99Å; N256-R262 VanDerWaalsContact O-CZ 3.29Å; N256-R262 PolarHBondContact O-NE 2.84Å; N256-R262 PolarHBondContact O-NH2 3.3Å; P259-R262 PolarHBondContact O-N 3.02Å
263P98.6Very high98.1Very high28 Ų2856.6 Ų56.618%0.18228%0.275CS..PPolyproline II helixtrans-63.7157.117328.4-34.2000110.7A253 E267 L268A253-P263 HydrophobicContact CB-CG 4.28Å; A253-P263 WeakPolarHBondContact O-CD 2.98Å; P263-E267 HydrophobicContact CB-CB 3.98Å; P263-L268 HydrophobicContact CB-CD2 4.28Å; P263-L268 HydrophobicContact CB-CG 4.04Å; P263-L268 HydrophobicContact CG-CD1 4.01Å; P263-L268 HydrophobicContact CG-CD2 3.45Å; P263-L268 VanDerWaalsContact CG-CD2 3.45Å; P263-L268 HydrophobicContact CG-CG 3.55Å
264T98.7Very high98.1Very high53 Ų5355.3 Ų55.333%0.32526%0.264SS..PPolyproline II helixtrans-72.7161.1170.360.70000111.1K266 E267 L268T264-K266 PolarHBondContact O-N 3Å; T264-E267 WeakPolarHBondContact CB-OE2 3.49Å; T264-E267 PolarHBondContact N-OE2 3.2Å; T264-E267 PolarHBondContact O-N 2.74Å; T264-E267 VanDerWaalsContact OG1-CD 3.28Å; T264-E267 VanDerWaalsContact OG1-CG 3.3Å; T264-E267 WeakPolarHBondContact OG1-CG 3.45Å; T264-E267 PolarHBondContact OG1-N 2.71Å; T264-E267 PolarHBondContact OG1-OE2 2.7Å; T264-L268 PolarHBondContact O-N 3.4Å
265A98.6Very high98Very high2 Ų259 Ų592%0.01730%0.295CS..Hα-helixtrans-54.6-40.3174.500000111.9L129 L132 E133 I202 E267 L268 L269L129-A265 HydrophobicContact CD2-CB 3.99Å; L132-A265 HydrophobicContact CB-CB 3.87Å; E133-A265 HydrophobicContact CB-CB 4.18Å; I202-A265 HydrophobicContact CD1-CB 4.11Å; A265-E267 VanDerWaalsContact C-N 3.35Å; A265-E267 PolarHBondContact O-N 2.64Å; A265-L268 PolarHBondContact O-N 2.84Å; A265-L269 WeakPolarHBondContact O-CG 3.44Å; A265-L269 PolarHBondContact O-N 2.83Å
266K98.4Very high97.9Very high112 Ų11267.2 Ų67.249%0.48733%0.325SS..Hα-helixtrans-61-37.7176-176.4168.2-169.5168.40113.8E133 T264E133-K266 HydrophobicContact CG-CB 4.31Å; E133-K266 WeakPolarHBondContact OE1-CB 3.45Å; E133-K266 VanDerWaalsContact OE1-CD 3.32Å; E133-K266 WeakPolarHBondContact OE1-CD 3.35Å; E133-K266 WeakPolarHBondContact OE1-CG 3.44Å; T264-K266 PolarHBondContact O-N 3Å
267E98.7Very high97.9Very high106 Ų10667 Ų6750%0.49532%0.322SS..Hα-helixtrans-73.6-40.9176.4-72.6162.4144.900111.1P263 T264 A265 L269 R270 H271P263-E267 HydrophobicContact CB-CB 3.98Å; T264-E267 WeakPolarHBondContact CB-OE2 3.49Å; T264-E267 PolarHBondContact N-OE2 3.2Å; T264-E267 PolarHBondContact O-N 2.74Å; T264-E267 VanDerWaalsContact OG1-CD 3.28Å; T264-E267 VanDerWaalsContact OG1-CG 3.3Å; T264-E267 WeakPolarHBondContact OG1-CG 3.45Å; T264-E267 PolarHBondContact OG1-N 2.71Å; T264-E267 PolarHBondContact OG1-OE2 2.7Å; A265-E267 VanDerWaalsContact C-N 3.35Å; A265-E267 PolarHBondContact O-N 2.64Å; E267-L269 VanDerWaalsContact C-N 3.3Å; E267-L269 PolarHBondContact O-N 3.43Å; E267-R270 WeakPolarHBondContact O-CB 3.38Å; E267-R270 PolarHBondContact O-N 3.08Å; E267-H271 PolarHBondContact O-N 3.13Å
268L98.8Very high98.1Very high3 Ų365.1 Ų65.12%0.01632%0.318CS..Hα-helixtrans-65-29.9177.2-75.5172.7000113.4L129 I202 L205 F250 C254 P263 T264 A265 R270 H271L129-L268 HydrophobicContact CD1-CB 3.83Å; L129-L268 HydrophobicContact CD2-CB 3.54Å; L129-L268 HydrophobicContact CD2-CD1 3.88Å; L129-L268 HydrophobicContact CD2-CG 4.38Å; L129-L268 HydrophobicContact CG-CB 4.36Å; I202-L268 HydrophobicContact CD1-CD1 4.32Å; I202-L268 HydrophobicContact CG2-CD1 3.82Å; L205-L268 HydrophobicContact CD2-CD1 4.13Å; F250-L268 HydrophobicContact CD2-CD2 4.06Å; F250-L268 HydrophobicContact CE2-CB 4.14Å; F250-L268 HydrophobicContact CE2-CD2 3.79Å; F250-L268 HydrophobicContact CE2-CG 4.41Å; F250-L268 HydrophobicContact CZ-CD2 4.36Å; C254-L268 VanDerWaalsContact SG-CD1 3.59Å; P263-L268 HydrophobicContact CB-CD2 4.28Å; P263-L268 HydrophobicContact CB-CG 4.04Å; P263-L268 HydrophobicContact CG-CD1 4.01Å; P263-L268 HydrophobicContact CG-CD2 3.45Å; P263-L268 VanDerWaalsContact CG-CD2 3.45Å; P263-L268 HydrophobicContact CG-CG 3.55Å; T264-L268 PolarHBondContact O-N 3.4Å; A265-L268 PolarHBondContact O-N 2.84Å; L268-R270 PolarHBondContact O-N 2.82Å; L268-R270 VanDerWaalsContact O-N 3.13Å; L268-H271 WeakPolarHBondContact O-CB 3.43Å; L268-H271 PolarHBondContact O-N 3Å
269L98.6Very high98.1Very high38 Ų3865.5 Ų65.520%0.19932%0.319CS..THydrogen-bonded Turntrans-58-24.4170.8-77.6171.8000113R126 L129 R130 E133 A265 E267R126-L269 HydrophobicContact CG-CD2 3.87Å; R126-L269 WeakPolarHBondContact O-CD2 3.29Å; L129-L269 HydrophobicContact CB-CD2 3.56Å; L129-L269 HydrophobicContact CB-CG 3.86Å; L129-L269 HydrophobicContact CD1-CD2 4.24Å; L129-L269 HydrophobicContact CD1-CG 4.48Å; R130-L269 HydrophobicContact CG-CD1 4.28Å; R130-L269 HydrophobicContact CG-CD2 3.98Å; E133-L269 WeakPolarHBondContact OE2-CD1 3.2Å; A265-L269 WeakPolarHBondContact O-CG 3.44Å; A265-L269 PolarHBondContact O-N 2.83Å; E267-L269 VanDerWaalsContact C-N 3.3Å; E267-L269 PolarHBondContact O-N 3.43Å
270R98.4Very high98.2Very high184 Ų18472 Ų7269%0.69434%0.344SS*.THydrogen-bonded Turntrans-96.3-0.4177.2-56.9174.2-176.5171.8-1.9112.6E267 L268E267-R270 WeakPolarHBondContact O-CB 3.38Å; E267-R270 PolarHBondContact O-N 3.08Å; L268-R270 PolarHBondContact O-N 2.82Å; L268-R270 VanDerWaalsContact O-N 3.13Å
271H98.8Very high98.3Very high38 Ų3869.7 Ų69.718%0.17633%0.327CS..SBendtrans-59.9141.8178.7-167.9-96.6000110.5L246 F250 E267 L268 F273 I274 A275L246-H271 PolarHBondContact O-CE1 3.16Å; F250-H271 HydrophobicContact CD2-CB 3.95Å; F250-H271 AromaticContact CD2-CG 3.77Å; F250-H271 AromaticContact CD2-ND1 3.6Å; F250-H271 HydrophobicContact CE2-CB 4.37Å; E267-H271 PolarHBondContact O-N 3.13Å; L268-H271 WeakPolarHBondContact O-CB 3.43Å; L268-H271 PolarHBondContact O-N 3Å; H271-F273 WeakPolarHBondContact ND1-CB 2.83Å; H271-F273 PolarHBondContact ND1-N 3Å; H271-F273 PolarHBondContact O-N 3.33Å; H271-F273 VanDerWaalsContact O-N 3.14Å; H271-I274 PolarHBondContact O-N 2.94Å; H271-I274 VanDerWaalsContact O-N 3.11Å; H271-A275 PolarHBondContact O-N 3.34Å
272K98.5Very high98.3Very high125 Ų12566.9 Ų66.954%0.54332%0.322SS..Hα-helixtrans-58.6-31.7-175-70.2177.2-174.3168.30112.8L246 R276L246-K272 HydrophobicContact CD1-CB 4.46Å; L246-K272 HydrophobicContact CD2-CB 3.81Å; L246-K272 HydrophobicContact CD2-CD 4.28Å; K272-R276 VanDerWaalsContact O-CB 3.25Å; K272-R276 WeakPolarHBondContact O-CB 3.41Å; K272-R276 VanDerWaalsContact O-CG 3.23Å; K272-R276 WeakPolarHBondContact O-CG 3.23Å; K272-R276 PolarHBondContact O-N 3.3Å; K272-R276 VanDerWaalsContact O-N 3.13Å
273F98.8Very high98.1Very high0 Ų069.7 Ų69.70%033%0.333CS..Hα-helixtrans-59.6-56174.6178.8-114.5000111.6E118 I121 A122 L125 L246 L247 F250 H271 R276 H277E118-F273 HydrophobicContact CB-CE2 4.11Å; E118-F273 HydrophobicContact CB-CZ 4.37Å; E118-F273 HydrophobicContact CG-CE2 4.42Å; E118-F273 WeakPolarHBondContact OE2-CE2 3.48Å; I121-F273 HydrophobicContact CG2-CE1 4.34Å; I121-F273 HydrophobicContact CG2-CZ 4.26Å; A122-F273 HydrophobicContact CB-CD1 4.28Å; A122-F273 HydrophobicContact CB-CE1 3.61Å; A122-F273 HydrophobicContact CB-CE2 4.33Å; A122-F273 HydrophobicContact CB-CZ 3.64Å; L125-F273 HydrophobicContact CD1-CE1 4.07Å; L246-F273 HydrophobicContact CB-CB 4.05Å; L246-F273 HydrophobicContact CB-CD2 4.17Å; L247-F273 HydrophobicContact CB-CD2 3.84Å; L247-F273 HydrophobicContact CB-CE2 3.66Å; L247-F273 HydrophobicContact CB-CG 4.43Å; L247-F273 HydrophobicContact CB-CZ 4.09Å; L247-F273 HydrophobicContact CD1-CD1 4.08Å; L247-F273 HydrophobicContact CD1-CE1 3.61Å; L247-F273 HydrophobicContact CD1-CE2 4.13Å; L247-F273 HydrophobicContact CD1-CZ 3.63Å; L247-F273 HydrophobicContact CD2-CZ 4.34Å; L247-F273 HydrophobicContact CG-CE2 4.28Å; L247-F273 HydrophobicContact CG-CZ 4.2Å; F250-F273 HydrophobicContact CB-CB 4.17Å; F250-F273 HydrophobicContact CB-CD1 4.3Å; F250-F273 HydrophobicContact CB-CG 4.44Å; F250-F273 HydrophobicContact CD2-CD1 4.35Å; F250-F273 HydrophobicContact CG-CD1 4.22Å; H271-F273 WeakPolarHBondContact ND1-CB 2.83Å; H271-F273 PolarHBondContact ND1-N 3Å; H271-F273 PolarHBondContact O-N 3.33Å; H271-F273 VanDerWaalsContact O-N 3.14Å; F273-R276 PolarHBondContact O-N 2.76Å; F273-H277 AromaticContact CD2-ND1 3.55Å; F273-H277 HydrophobicContact CE2-CB 4.32Å; F273-H277 AromaticContact CE2-ND1 3.85Å; F273-H277 WeakPolarHBondContact O-CB 3.33Å; F273-H277 PolarHBondContact O-N 3.22Å; F273-H277 PolarHBondContact O-ND1 3.35Å
274I98.7Very high98.1Very high4 Ų468.3 Ų68.32%0.02132%0.324CS..Hα-helixtrans-61.1-49.8179.2-58.8-58.2000110.7L125 R126 L129 F250 H271 R276 A278L125-I274 HydrophobicContact CB-CD1 3.89Å; R126-I274 HydrophobicContact CB-CG2 3.83Å; R126-I274 HydrophobicContact CG-CG2 3.74Å; L129-I274 HydrophobicContact CD1-CD1 4.29Å; L129-I274 HydrophobicContact CD1-CG1 4.12Å; F250-I274 HydrophobicContact CD2-CG1 4.23Å; F250-I274 HydrophobicContact CE2-CD1 4.01Å; F250-I274 HydrophobicContact CE2-CG1 3.77Å; F250-I274 HydrophobicContact CZ-CD1 4.42Å; H271-I274 PolarHBondContact O-N 2.94Å; H271-I274 VanDerWaalsContact O-N 3.11Å; I274-R276 PolarHBondContact O-N 3.32Å; I274-A278 HydrophobicContact CG2-CB 4.26Å; I274-A278 WeakPolarHBondContact O-CB 3.46Å; I274-A278 PolarHBondContact O-N 2.85Å
275A97.6Very high98Very high77 Ų7767.7 Ų67.764%0.63632%0.32SS*.Hα-helixtrans-62.6-28-176.200000113.8H271H271-A275 PolarHBondContact O-N 3.34Å
276R97.3Very high97.8Very high178 Ų17873.3 Ų73.367%0.67235%0.346SS*.Hα-helixtrans-95.5-34.1-177.8-69.7178.8178.7-168.1-1114K272 F273 I274K272-R276 VanDerWaalsContact O-CB 3.25Å; K272-R276 WeakPolarHBondContact O-CB 3.41Å; K272-R276 VanDerWaalsContact O-CG 3.23Å; K272-R276 WeakPolarHBondContact O-CG 3.23Å; K272-R276 PolarHBondContact O-N 3.3Å; K272-R276 VanDerWaalsContact O-N 3.13Å; F273-R276 PolarHBondContact O-N 2.76Å; I274-R276 PolarHBondContact O-N 3.32Å
277H97.8Very high97.8Very high50 Ų5068.1 Ų68.123%0.23132%0.324CS..Hα-helixtrans-106.5-26.7-170-60.891000113.8T119 A122 F273 K279T119-H277 WeakPolarHBondContact CG2-O 3.44Å; A122-H277 HydrophobicContact CB-CB 3.58Å; F273-H277 AromaticContact CD2-ND1 3.55Å; F273-H277 HydrophobicContact CE2-CB 4.32Å; F273-H277 AromaticContact CE2-ND1 3.85Å; F273-H277 WeakPolarHBondContact O-CB 3.33Å; F273-H277 PolarHBondContact O-N 3.22Å; F273-H277 PolarHBondContact O-ND1 3.35Å; H277-K279 PolarHBondContact O-N 3.2Å
278A98.1Very high97.7Very high22 Ų2263.1 Ų63.118%0.18230%0.301CS..  trans-69.5126.3-175.800000111.4A122 R126 I274A122-A278 HydrophobicContact CB-CB 4.07Å; R126-A278 HydrophobicContact CB-CB 4.2Å; I274-A278 HydrophobicContact CG2-CB 4.26Å; I274-A278 WeakPolarHBondContact O-CB 3.46Å; I274-A278 PolarHBondContact O-N 2.85Å
279K97.9Very high97.6Very high100 Ų10066.9 Ų66.944%0.43532%0.32SS..  trans-104.2-174.6177.2-73.9-174.3-166.6166.60111.4T119 T123 R126 H277 Y283T119-K279 HydrophobicContact CG2-CB 4.05Å; T119-K279 HydrophobicContact CG2-CD 3.51Å; T119-K279 HydrophobicContact CG2-CG 3.63Å; T123-K279 PolarHBondContact OG1-N 2.78Å; R126-K279 PolarHBondContact NH1-O 3.43Å; R126-K279 PolarHBondContact NH2-O 3.35Å; H277-K279 PolarHBondContact O-N 3.2Å; K279-Y283 HydrophobicContact CD-CD2 4.28Å; K279-Y283 HydrophobicContact CD-CE2 4.49Å; K279-Y283 HydrophobicContact CD-CG 4.36Å
280K98Very high97.5Very high164 Ų16468.7 Ų68.771%0.71333%0.327SS*.  trans-62.9144.3170.9-67.8-177.4178.5-178.90109.6T282 Y283K280-T282 PolarHBondContact O-N 3.04Å; K280-Y283 VanDerWaalsContact O-CB 3.24Å; K280-Y283 WeakPolarHBondContact O-CB 3.23Å; K280-Y283 PolarHBondContact O-N 3.09Å
281T98Very high97.4Very high31 Ų3160.7 Ų60.719%0.1930%0.297CS..G310 helixtrans-57.9-28.1178.842.80000113.2T123 E127 G156 Y283 L284T123-T281 HydrophobicContact CG2-CG2 4.47Å; E127-T281 HydrophobicContact CG-CG2 3.73Å; G156-T281 VanDerWaalsContact O-CB 3.27Å; G156-T281 WeakPolarHBondContact O-CB 3.2Å; T281-Y283 PolarHBondContact O-N 3.49Å; T281-L284 VanDerWaalsContact O-CB 3.29Å; T281-L284 WeakPolarHBondContact O-CB 3.5Å; T281-L284 PolarHBondContact O-N 2.96Å
282T97.3Very high97.3Very high88 Ų8862.9 Ų62.954%0.5431%0.306SS..G310 helixtrans-57.7-19.3172.859.40000113.6K280 L284 T285K280-T282 PolarHBondContact O-N 3.04Å; T282-L284 PolarHBondContact O-N 2.87Å; T282-T285 PolarHBondContact O-N 2.84Å; T282-T285 PolarHBondContact O-OG1 3.16Å
283Y94.4Very high97.1Very high60 Ų6063.9 Ų63.924%0.23531%0.306CS..G310 helixtrans-68.1-23.8172.9-173.1-102000112.4T119 Q120 K279 K280 T281 T285T119-Y283 HydrophobicContact CG2-CD1 3.96Å; T119-Y283 HydrophobicContact CG2-CE1 3.74Å; Q120-Y283 HydrophobicContact CG-CD1 4.37Å; Q120-Y283 HydrophobicContact CG-CE1 4Å; K279-Y283 HydrophobicContact CD-CD2 4.28Å; K279-Y283 HydrophobicContact CD-CE2 4.49Å; K279-Y283 HydrophobicContact CD-CG 4.36Å; K280-Y283 VanDerWaalsContact O-CB 3.24Å; K280-Y283 WeakPolarHBondContact O-CB 3.23Å; K280-Y283 PolarHBondContact O-N 3.09Å; T281-Y283 PolarHBondContact O-N 3.49Å; Y283-T285 VanDerWaalsContact C-N 3.25Å; Y283-T285 PolarHBondContact O-N 3.48Å
284L98Very high97Very high0 Ų067.4 Ų67.40%032%0.319CS..G310 helixtrans-75.9-12.1178.8-58.2178000112.6Q120 T123 I124 L152 V158 T281 T282 E286 L287 I288Q120-L284 HydrophobicContact CB-CD2 4.22Å; Q120-L284 HydrophobicContact CG-CD2 4.25Å; T123-L284 HydrophobicContact CG2-CD1 3.95Å; T123-L284 HydrophobicContact CG2-CD2 4.36Å; T123-L284 HydrophobicContact CG2-CG 4.09Å; I124-L284 HydrophobicContact CD1-CD2 4.46Å; I124-L284 HydrophobicContact CG1-CD1 3.86Å; I124-L284 HydrophobicContact CG1-CD2 4.19Å; L152-L284 HydrophobicContact CD2-CB 4.27Å; L152-L284 HydrophobicContact CD2-CD1 3.93Å; V158-L284 HydrophobicContact CG2-CD1 3.62Å; T281-L284 VanDerWaalsContact O-CB 3.29Å; T281-L284 WeakPolarHBondContact O-CB 3.5Å; T281-L284 PolarHBondContact O-N 2.96Å; T282-L284 PolarHBondContact O-N 2.87Å; L284-E286 VanDerWaalsContact C-N 3.25Å; L284-E286 PolarHBondContact O-N 2.7Å; L284-L287 WeakPolarHBondContact O-CB 3.45Å; L284-L287 PolarHBondContact O-N 2.81Å; L284-L287 VanDerWaalsContact O-N 3.13Å; L284-I288 WeakPolarHBondContact O-CG1 3.33Å; L284-I288 PolarHBondContact O-N 3.09Å
285T97.6Very high96.7Very high40 Ų4072.6 Ų72.625%0.24534%0.342CS..Hα-helixtrans-63.2-34.7175.863.30000111.6T282 Y283 L287 I288 D289T282-T285 PolarHBondContact O-N 2.84Å; T282-T285 PolarHBondContact O-OG1 3.16Å; Y283-T285 VanDerWaalsContact C-N 3.25Å; Y283-T285 PolarHBondContact O-N 3.48Å; T285-L287 VanDerWaalsContact C-N 3.28Å; T285-L287 PolarHBondContact O-N 3.1Å; T285-I288 PolarHBondContact O-N 2.9Å; T285-D289 WeakPolarHBondContact O-CB 3.43Å; T285-D289 VanDerWaalsContact O-CG 3.26Å; T285-D289 PolarHBondContact O-N 3.08Å
286E95.3Very high96.4Very high119 Ų11971.1 Ų71.156%0.55633%0.327SS*.Hα-helixtrans-62.4-37.1175.2-65.2-178.6-173.600112L284 K290L284-E286 VanDerWaalsContact C-N 3.25Å; L284-E286 PolarHBondContact O-N 2.7Å; E286-K290 WeakPolarHBondContact O-CB 3.38Å; E286-K290 PolarHBondContact O-N 3.31Å
287L96.4Very high96.1Very high4 Ų467.9 Ų67.92%0.02132%0.32CS..Hα-helixtrans-68.8-42.7175.8-179.663.1000111L110 L116 L284 T285 K290 Y291L110-L287 HydrophobicContact CB-CD2 4.03Å; L110-L287 HydrophobicContact CB-CG 4.1Å; L110-L287 HydrophobicContact CD1-CD2 3.88Å; L110-L287 HydrophobicContact CD1-CG 4.11Å; L110-L287 HydrophobicContact CG-CG 4.49Å; L116-L287 HydrophobicContact CD2-CD1 3.55Å; L116-L287 HydrophobicContact CD2-CD2 3.54Å; L116-L287 HydrophobicContact CD2-CG 4.18Å; L284-L287 WeakPolarHBondContact O-CB 3.45Å; L284-L287 PolarHBondContact O-N 2.81Å; L284-L287 VanDerWaalsContact O-N 3.13Å; T285-L287 VanDerWaalsContact C-N 3.28Å; T285-L287 PolarHBondContact O-N 3.1Å; L287-K290 WeakPolarHBondContact O-CB 3.44Å; L287-K290 PolarHBondContact O-N 3.04Å; L287-Y291 PolarHBondContact O-N 3.47Å
288I97.7Very high95.6Very high1 Ų169.7 Ų69.71%0.00533%0.328CS..Hα-helixtrans-61.7-44.4175.3-65.7161000110.6L110 L152 S153 L284 T285 K290 Y291 K292L110-I288 HydrophobicContact CD1-CG1 4.12Å; L110-I288 HydrophobicContact CD2-CG1 4.28Å; L152-I288 HydrophobicContact CB-CD1 4.25Å; L152-I288 HydrophobicContact CD2-CD1 4.37Å; S153-I288 WeakPolarHBondContact O-CD1 3.11Å; L284-I288 WeakPolarHBondContact O-CG1 3.33Å; L284-I288 PolarHBondContact O-N 3.09Å; T285-I288 PolarHBondContact O-N 2.9Å; I288-K290 VanDerWaalsContact C-N 3.3Å; I288-K290 PolarHBondContact O-N 2.75Å; I288-Y291 PolarHBondContact O-N 3.23Å; I288-K292 HydrophobicContact CG2-CD 4.25Å; I288-K292 WeakPolarHBondContact O-CG 3.41Å; I288-K292 PolarHBondContact O-N 3.13Å
289D97Very high94.5Very high81 Ų8172 Ų7243%0.43334%0.343SS..Hα-helixtrans-66.9-32.2177.9-70.7-22.8000112.2T285 R293T285-D289 WeakPolarHBondContact O-CB 3.43Å; T285-D289 VanDerWaalsContact O-CG 3.26Å; T285-D289 PolarHBondContact O-N 3.08Å; D289-R293 WeakPolarHBondContact O-CG 3.43Å; D289-R293 PolarHBondContact O-N 3Å; D289-R293 PolarHBondContact O-NE 3.36Å; D289-R293 VanDerWaalsContact O-NE 3.13Å
290K96.5Very high93.2Very high77 Ų7776.1 Ų76.134%0.33536%0.356SS..Hα-helixtrans-63.5-47.2171-173.9-170.9174.6-1600110.6P113 E286 L287 I288 R293 W294P113-K290 HydrophobicContact CB-CD 4.1Å; P113-K290 HydrophobicContact CB-CG 4.09Å; P113-K290 WeakPolarHBondContact O-CE 3.36Å; P113-K290 PolarHBondContact O-NZ 3.3Å; E286-K290 WeakPolarHBondContact O-CB 3.38Å; E286-K290 PolarHBondContact O-N 3.31Å; L287-K290 WeakPolarHBondContact O-CB 3.44Å; L287-K290 PolarHBondContact O-N 3.04Å; I288-K290 VanDerWaalsContact C-N 3.3Å; I288-K290 PolarHBondContact O-N 2.75Å; K290-R293 PolarHBondContact O-N 2.79Å; K290-W294 WeakPolarHBondContact O-CB 3.49Å; K290-W294 PolarHBondContact O-N 3.27Å
291Y96.6Very high91.5Very high16 Ų1674.9 Ų74.96%0.06335%0.353CS..Hα-helixtrans-61.4-46.8176.6173-111.1000112.7D109 L110 E112 P113 L287 I288 R293 W294 K295D109-Y291 HydrophobicContact CB-CE1 4.17Å; D109-Y291 HydrophobicContact CB-CE2 3.92Å; D109-Y291 VanDerWaalsContact O-CD2 3.24Å; D109-Y291 WeakPolarHBondContact O-CD2 3.08Å; D109-Y291 WeakPolarHBondContact O-CE2 3.45Å; L110-Y291 HydrophobicContact CD2-CD1 4Å; L110-Y291 HydrophobicContact CD2-CG 3.82Å; E112-Y291 WeakPolarHBondContact OE2-CE2 3.41Å; P113-Y291 HydrophobicContact CG-CD2 3.95Å; L287-Y291 PolarHBondContact O-N 3.47Å; I288-Y291 PolarHBondContact O-N 3.23Å; Y291-R293 VanDerWaalsContact C-N 3.3Å; Y291-R293 PolarHBondContact O-N 3.04Å; Y291-W294 HydrophobicContact CD2-CE3 4.18Å; Y291-W294 HydrophobicContact CE2-CE3 4.15Å; Y291-W294 HydrophobicContact CE2-CZ3 4.19Å; Y291-W294 PolarHBondContact O-N 3.13Å; Y291-K295 HydrophobicContact CE1-CD 4.2Å; Y291-K295 WeakPolarHBondContact O-CB 3.24Å; Y291-K295 PolarHBondContact O-N 3.41Å; Y291-K295 PolarHBondContact OH-NZ 3.17Å; Y291-K295 VanDerWaalsContact OH-NZ 3.08Å
292K95.3Very high89.5Confident83 Ų8379.2 Ų79.236%0.36137%0.374SS..Hα-helixtrans-57.3-41.7177.6-73.9179.7174.2-175.50112.3E154 I288 S296E154-K292 IonicContact OE1-NZ 3.67Å; E154-K292 PolarHBondContact OE1-NZ 2.99Å; I288-K292 HydrophobicContact CG2-CD 4.25Å; I288-K292 WeakPolarHBondContact O-CG 3.41Å; I288-K292 PolarHBondContact O-N 3.13Å; K292-S296 WeakPolarHBondContact O-CB 3.41Å; K292-S296 PolarHBondContact O-N 3.23Å; K292-S296 VanDerWaalsContact O-N 3.16Å
293R95.5Very high87.3Confident147 Ų14780 Ų8056%0.55538%0.384SS*.Hα-helixtrans-65.4-51.6176.2-76.7179.7-72.3150.3-6.9112D289 K290 Y291 K295 S296 E297D289-R293 WeakPolarHBondContact O-CG 3.43Å; D289-R293 PolarHBondContact O-N 3Å; D289-R293 PolarHBondContact O-NE 3.36Å; D289-R293 VanDerWaalsContact O-NE 3.13Å; K290-R293 PolarHBondContact O-N 2.79Å; Y291-R293 VanDerWaalsContact C-N 3.3Å; Y291-R293 PolarHBondContact O-N 3.04Å; R293-K295 VanDerWaalsContact C-N 3.31Å; R293-K295 PolarHBondContact O-N 3.43Å; R293-S296 PolarHBondContact O-N 3.1Å; R293-S296 PolarHBondContact O-OG 3.09Å; R293-E297 PolarHBondContact O-N 2.92Å
294W95.4Very high85.1Confident74 Ų7482 Ų8228%0.2841%0.406SS..Hα-helixtrans-54.6-46.7178.7175.884.4000111.9E112 P113 K290 Y291 S296 E297 Q298E112-W294 HydrophobicContact CB-CE3 4.24Å; E112-W294 HydrophobicContact CB-CH2 3.74Å; E112-W294 HydrophobicContact CB-CZ2 4.17Å; E112-W294 HydrophobicContact CB-CZ3 3.78Å; E112-W294 HydrophobicContact CG-CH2 4.43Å; E112-W294 HydrophobicContact CG-CZ3 4.5Å; E112-W294 WeakPolarHBondContact OE2-CH2 3.33Å; E112-W294 WeakPolarHBondContact OE2-CZ3 3.24Å; P113-W294 HydrophobicContact CB-CB 4.02Å; P113-W294 HydrophobicContact CB-CG 3.98Å; P113-W294 HydrophobicContact CG-CB 3.93Å; P113-W294 HydrophobicContact CG-CD2 4.21Å; P113-W294 HydrophobicContact CG-CE3 4.42Å; P113-W294 HydrophobicContact CG-CG 4Å; K290-W294 WeakPolarHBondContact O-CB 3.49Å; K290-W294 PolarHBondContact O-N 3.27Å; Y291-W294 HydrophobicContact CD2-CE3 4.18Å; Y291-W294 HydrophobicContact CE2-CE3 4.15Å; Y291-W294 HydrophobicContact CE2-CZ3 4.19Å; Y291-W294 PolarHBondContact O-N 3.13Å; W294-S296 VanDerWaalsContact C-N 3.33Å; W294-S296 PolarHBondContact O-N 2.99Å; W294-E297 PolarHBondContact O-N 2.85Å; W294-Q298 PolarHBondContact O-N 2.9Å; W294-Q298 VanDerWaalsContact O-N 3.12Å
295K92.8Very high82.7Confident112 Ų11286 Ų8649%0.48743%0.434SS..Hα-helixtrans-63.1-37.5177.9-168.6174.3-167160.40112.8Y291 R293 S299Y291-K295 HydrophobicContact CE1-CD 4.2Å; Y291-K295 WeakPolarHBondContact O-CB 3.24Å; Y291-K295 PolarHBondContact O-N 3.41Å; Y291-K295 PolarHBondContact OH-NZ 3.17Å; Y291-K295 VanDerWaalsContact OH-NZ 3.08Å; R293-K295 VanDerWaalsContact C-N 3.31Å; R293-K295 PolarHBondContact O-N 3.43Å; K295-S299 PolarHBondContact O-N 3.44Å; K295-S299 VanDerWaalsContact O-N 3.17Å; K295-S299 PolarHBondContact O-OG 3.47Å
296S91.6Very high80.1Confident47 Ų4791.6 Ų91.633%0.32946%0.463SS..Hα-helixtrans-70.4-33.7178.975.10000113K292 R293 W294 S299 R300K292-S296 WeakPolarHBondContact O-CB 3.41Å; K292-S296 PolarHBondContact O-N 3.23Å; K292-S296 VanDerWaalsContact O-N 3.16Å; R293-S296 PolarHBondContact O-N 3.1Å; R293-S296 PolarHBondContact O-OG 3.09Å; W294-S296 VanDerWaalsContact C-N 3.33Å; W294-S296 PolarHBondContact O-N 2.99Å; S296-S299 PolarHBondContact O-OG 3.34Å; S296-R300 WeakPolarHBondContact O-CG 3.12Å; S296-R300 PolarHBondContact O-N 3.11Å
297E91.6Very high77.6Confident110 Ų11093.1 Ų93.151%0.51448%0.475SS..Hα-helixtrans-69.7-45.6176.8-72165.8-178.800110.3R293 W294 S299 R300 E301R293-E297 PolarHBondContact O-N 2.92Å; W294-E297 PolarHBondContact O-N 2.85Å; E297-S299 VanDerWaalsContact C-N 3.35Å; E297-S299 PolarHBondContact O-N 3.1Å; E297-R300 WeakPolarHBondContact O-CB 3.35Å; E297-R300 PolarHBondContact O-N 3.4Å; E297-E301 PolarHBondContact O-N 3.39Å
298Q85.9Confident74.8Confident87 Ų8798.5 Ų98.541%0.40751%0.513SS..Hα-helixtrans-59.5-43.3176.9-163.2177.533.200112.4W294 R300 E301 D302W294-Q298 PolarHBondContact O-N 2.9Å; W294-Q298 VanDerWaalsContact O-N 3.12Å; Q298-R300 PolarHBondContact O-N 3.06Å; Q298-E301 PolarHBondContact O-N 2.92Å; Q298-D302 PolarHBondContact O-N 3.4Å
299S76.6Confident72Confident72 Ų72106 Ų10650%0.50355%0.553SS.*Hα-helixtrans-64.4-20.6177.568.20000114.6K295 S296 E297K295-S299 PolarHBondContact O-N 3.44Å; K295-S299 VanDerWaalsContact O-N 3.17Å; K295-S299 PolarHBondContact O-OG 3.47Å; S296-S299 PolarHBondContact O-OG 3.34Å; E297-S299 VanDerWaalsContact C-N 3.35Å; E297-S299 PolarHBondContact O-N 3.1Å
300R70.5Confident69Low186 Ų186111.3 Ų111.370%0.70258%0.575SS**Hα-helixtrans-84.5-33.2177.1-73.8174.8177.4179.21112.1S296 E297 Q298 S303 S304S296-R300 WeakPolarHBondContact O-CG 3.12Å; S296-R300 PolarHBondContact O-N 3.11Å; E297-R300 WeakPolarHBondContact O-CB 3.35Å; E297-R300 PolarHBondContact O-N 3.4Å; Q298-R300 PolarHBondContact O-N 3.06Å; R300-S303 PolarHBondContact O-N 2.83Å; R300-S304 PolarHBondContact O-N 3.17Å
301E61Low66.3Low138 Ų138116.7 Ų116.765%0.64560%0.601SS**Hα-helixtrans-70.2-41.4177-68.6178.3175.100110.9E297 Q298 S303 S304E297-E301 PolarHBondContact O-N 3.39Å; Q298-E301 PolarHBondContact O-N 2.92Å; E301-S303 PolarHBondContact O-N 2.83Å; E301-S304 PolarHBondContact O-N 3.34Å
302D56.1Low63.2Low121 Ų121124 Ų12465%0.64764%0.641SS**THydrogen-bonded Turntrans-66.1-22.9175.6-69.1-25000113.3Q298Q298-D302 PolarHBondContact O-N 3.4Å
303S51.4Low60.2Low105 Ų105129 Ų12973%0.73467%0.666SS**THydrogen-bonded Turntrans-88.2-7.4178.3-174.20000113.5R300 E301R300-S303 PolarHBondContact O-N 2.83Å; E301-S303 PolarHBondContact O-N 2.83Å
304S49.4Very low57.2Low102 Ų102131.8 Ų131.871%0.71369%0.685SS**SBendtrans-107.76.2-175.7108.90000114.1R300 E301R300-S304 PolarHBondContact O-N 3.17Å; E301-S304 PolarHBondContact O-N 3.34Å
305S47.1Very low54.1Low84 Ų84132 Ų13259%0.58771%0.71SS**SBendtrans-1081.3-177.361.20000115.8
306D43.4Very low51.1Low157 Ų157130.5 Ų130.584%0.8473%0.726SS**  trans-109.582.7174.1-92-13.5000110.9
307D41.8Very low48.1Very low152 Ų152138.2 Ų138.281%0.81375%0.754SS**  trans-147.172.2152.1-150.17.3000107.9
308S37.3Very low45.2Very low116 Ų116138.7 Ų138.781%0.81177%0.77SS**  trans-154.688.2168.8-650000108.5E310S308-E310 PolarHBondContact O-N 2.99Å
309D39.7Very low42.6Very low160 Ų160144.3 Ų144.386%0.85679%0.792SS**  trans-53.2118.1167.4-78-34.1000111.3
310E34.5Very low40.1Very low191 Ų191146.1 Ų146.189%0.89381%0.805SS**  trans-145.1114.6143.4-74.2-162.5165.700110.5S308S308-E310 PolarHBondContact O-N 2.99Å
311E38.7Very low38.2Very low190 Ų190144 Ų14489%0.88881%0.808SS**  trans-65.3126.2169.1-63.6179146.300110.8
312L32.1Very low36.6Very low171 Ų171145 Ų14590%0.89582%0.818SS**  trans-152.4151.8155-80.5-174.5000112.8
313E31Very low35.3Very low188 Ų188144.7 Ų144.788%0.87982%0.816SS**  trans-76.6160.5-150.4-60.7-178.8146.400118.2
314E34.2Very low34.5Very low205 Ų205149.9 Ų149.996%0.95882%0.819SS**  trans-58132.1169.7-72.4-178.6138.700113.6
315G28.9Very low33.9Very low79 Ų79150.5 Ų150.581%0.81481%0.814SS**  trans-154.790.9168.200000111.4
316G30.8Very low33.5Very low80 Ų80150.1 Ų150.183%0.82580%0.801SS**  trans-66.3138.4-178.200000114.4
317K27.6Very low33.1Very low208 Ų208146.2 Ų146.290%0.90480%0.799SS**  trans-142.8116.1152.6-88.9-175.7-178.8168.10110.7
318S32.2Very low33.3Very low121 Ų121141 Ų14185%0.84677%0.772SS**  trans-53.3132.2166.6172.90000111.5
319K29.4Very low33.4Very low204 Ų204138 Ų13889%0.88775%0.747SS**  trans-126.7111.1160.2-90.6-174.1176.2178.20109.7
320S25.1Very low33.4Very low110 Ų110137 Ų13777%0.76974%0.735SS**  trans-3.6125.4157.6-160.40000117.9
321N31.4Very low33.1Very low141 Ų141135.8 Ų135.875%0.75473%0.734SS**  trans-48.2128.7158.7-89.2-16.9000112.2
322D27.2Very low32.6Very low160 Ų160134.8 Ų134.886%0.85673%0.729SS**  trans-137.390.2140.5-93.1-29.2000106.8W324D322-W324 PolarHBondContact O-N 3.5Å
323N28.5Very low32.3Very low114 Ų114131.4 Ų131.461%0.6172%0.72SS**  trans-9083.8-168.1-159.936000110.5I325N323-I325 WeakPolarHBondContact OD1-CD1 3.27Å; N323-I325 WeakPolarHBondContact OD1-CG1 3.34Å
324W34.7Very low32.1Very low214 Ų214128.5 Ų128.581%0.81172%0.718SS**  trans-119.190160.7-70.592.9000108.2D322 F326D322-W324 PolarHBondContact O-N 3.5Å; W324-F326 PolarHBondContact O-N 3.34Å
325I36.1Very low31.8Very low116 Ų116127 Ų12760%0.59572%0.715SS**  trans-86.594.4-177.2-55.4172.8000109.2N323N323-I325 WeakPolarHBondContact OD1-CD1 3.27Å; N323-I325 WeakPolarHBondContact OD1-CG1 3.34Å
326F39.3Very low31.8Very low75 Ų75132.7 Ų132.733%0.32972%0.721SS.*  trans-92.592.6160-74.9-80.6000108.6P183 P224 W324 T328P183-F326 HydrophobicContact CG-CE1 4.46Å; P183-F326 HydrophobicContact CG-CZ 4.48Å; P224-F326 HydrophobicContact CB-CD2 4.5Å; P224-F326 HydrophobicContact CB-CE2 4.34Å; P224-F326 HydrophobicContact CG-CD2 4.1Å; P224-F326 HydrophobicContact CG-CE2 4.4Å; W324-F326 PolarHBondContact O-N 3.34Å; F326-T328 PolarHBondContact O-N 3.13Å
327G34.3Very low31.6Very low76 Ų76137.9 Ų137.978%0.78472%0.723SS**THydrogen-bonded Turntrans-73.428.3-171.200000116.6
328T47.2Very low31.6Very low42 Ų42133.3 Ų133.326%0.25872%0.717SS.*THydrogen-bonded Turntrans-128-5.9-173.2-12.90000114.9L108 A148 F326L108-T328 HydrophobicContact CD2-CG2 4.31Å; A148-T328 HydrophobicContact CB-CG2 4.06Å; F326-T328 PolarHBondContact O-N 3.13Å
329I38.1Very low31.4Very low54 Ų54133.4 Ų133.428%0.27772%0.715SS.*SBendtrans-112.3122.6176.2-63172.4000107.7F184F184-I329 HydrophobicContact CD2-CD1 3.95Å; F184-I329 HydrophobicContact CE1-CD1 4.23Å; F184-I329 HydrophobicContact CE2-CD1 3.19Å; F184-I329 HydrophobicContact CE2-CG1 4.48Å; F184-I329 HydrophobicContact CZ-CD1 3.35Å
330K40.3Very low31.5Very low138 Ų138129.6 Ų129.660%0.671%0.711SS**  trans-77.8124.1175.7-66.4-178.5-177.3175.90108.6E112 H332E112-K330 IonicContact OE1-NZ 2.73Å; E112-K330 PolarHBondContact OE1-NZ 3.38Å; K330-H332 PolarHBondContact O-N 3.29Å
331D27.2Very low31.7Very low165 Ų165133.1 Ų133.188%0.88272%0.716SS**  trans-66.2113167.4-93.7-32.5000109.1
332H29Very low31.6Very low169 Ų169132.2 Ų132.278%0.78272%0.717SS**  trans-90.6106.5165.2-83.7-69.8000109.2K330K330-H332 PolarHBondContact O-N 3.29Å
333S25Very low31.7Very low101 Ų101131.6 Ų131.671%0.70672%0.719SS**PPolyproline II helixtrans-66.3127.8162.850.80000109.5L335S333-L335 PolarHBondContact O-N 3.01Å
334P27.6Very low31.8Very low127 Ų127135.1 Ų135.183%0.82573%0.732SS**PPolyproline II helixtrans-67.5129.6179.324.2-30.7000111.1
335L27.7Very low31.5Very low172 Ų172133.4 Ų133.490%0.90174%0.738SS**PPolyproline II helixtrans-63.1138.5173.4-75.3160.7000110.8S333 E337S333-L335 PolarHBondContact O-N 3.01Å; L335-E337 PolarHBondContact O-N 2.89Å
336Q28.4Very low31.1Very low200 Ų200132.5 Ų132.594%0.93575%0.748SS**  trans-79.7106-177.2-167.61744.900109.8
337E27.6Very low30.8Very low188 Ų188137.6 Ų137.688%0.87977%0.773SS**PPolyproline II helixtrans-101.1139.6166.2-75.5-171.4167.700110.8L335L335-E337 PolarHBondContact O-N 2.89Å
338S27.6Very low30.7Very low112 Ų112140.1 Ų140.178%0.78378%0.775SS**PPolyproline II helixtrans-76.3157.8-176.148.40000113.2
339P28.7Very low29.8Very low123 Ų123144.5 Ų144.580%0.79980%0.802SS**PPolyproline II helixtrans-87.2146.6-166.833.6-32.5000112.9
340P30.6Very low29.3Very low124 Ų124149.8 Ų149.881%0.80583%0.825SS**PPolyproline II helixtrans-90.8149.1160.233.5-26.9000111.9
341E29Very low28.6Very low184 Ų184151.3 Ų151.386%0.8684%0.839SS**PPolyproline II helixtrans-68.5165.7-178.9-94-171.4174.100115.2
342P30.3Very low28.5Very low122 Ų122150.8 Ų150.879%0.79283%0.831SS**PPolyproline II helixtrans-89.5141.5-150.434.7-33.3000114.1
343V29.4Very low28.4Very low147 Ų147148.8 Ų148.889%0.89183%0.83SS**  trans-117136.7167-172.40000109.6
344Q28.7Very low28.4Very low188 Ų188151.9 Ų151.988%0.87983%0.834SS**  trans-61145.2-165-72.9163.3-22.100115.5
345L28.7Very low28.4Very low178 Ų178152.1 Ų152.193%0.93283%0.833SS**  trans-56.7132.5177-73130.6000113.7
346A28.8Very low28.3Very low98 Ų98152.4 Ų152.481%0.8183%0.829SS**  trans-126.1128151.500000108.2
347E33.1Very low28.3Very low182 Ų182147.4 Ų147.485%0.8582%0.822SS**PPolyproline II helixtrans-62.9146.7-175-61.9175.6154.800112.5
348P31.6Very low28.2Very low128 Ų128147.4 Ų147.483%0.83182%0.822SS**PPolyproline II helixtrans-80.4127169.315.3-1.9000110.9
349V28Very low28.5Very low135 Ų135151.3 Ų151.382%0.81883%0.828SS**PPolyproline II helixtrans-61.6125.1170.9175.90000110.3L351V349-L351 PolarHBondContact O-N 3.27Å
350E27.9Very low28.3Very low165 Ų165154 Ų15477%0.77183%0.83SS**PPolyproline II helixtrans-62.9117.9169.6-71.5-178.3156.800110.8Q352E350-Q352 PolarHBondContact O-N 2.86Å
351L26Very low28.5Very low169 Ų169155.2 Ų155.289%0.88584%0.835SS**  trans-84.895.7163.2-96.4141.1000108.6V349 V353V349-L351 PolarHBondContact O-N 3.27Å; L351-V353 PolarHBondContact O-N 3.35Å
352Q24.9Very low28.5Very low155 Ų155151.3 Ų151.372%0.72483%0.828SS**  trans-67.2109.6167.7-73.2174.9-8.900109.8E350E350-Q352 PolarHBondContact O-N 2.86Å
353V26.8Very low29.2Very low126 Ų126155.1 Ų155.176%0.76484%0.835SS**  trans-91.6105.4156.41790000106.7L351 V355L351-V353 PolarHBondContact O-N 3.35Å; V353-V355 HydrophobicContact CG1-CG2 4.22Å; V353-V355 PolarHBondContact O-N 3.1Å
354Q25.2Very low29.7Very low167 Ų167153.2 Ų153.278%0.7883%0.829SS**  trans-67.5119167.1-75.3172.2-2200108.6
355V27.2Very low30.7Very low132 Ų132152.5 Ų152.580%0.883%0.83SS**  trans-115.6107.3157.1-174.10000105.9V353V353-V355 HydrophobicContact CG1-CG2 4.22Å; V353-V355 PolarHBondContact O-N 3.1Å
356E25.6Very low32.2Very low178 Ų178147.9 Ų147.983%0.83281%0.813SS**  trans-59.8136.3174.3-71.3175.6142.900110.1Q358E356-Q358 PolarHBondContact O-N 3.25Å
357A27.8Very low34.4Very low95 Ų95143.5 Ų143.579%0.78578%0.776SS**  trans-65.6121.3172.600000110.2
358Q26.2Very low36.8Very low188 Ų188142.3 Ų142.388%0.87977%0.77SS**  trans-108.6109150.5-78.2-174.6-29.400107.2E356 E360E356-Q358 PolarHBondContact O-N 3.25Å; Q358-E360 PolarHBondContact O-N 3.5Å; Q358-E360 VanDerWaalsContact O-N 3.13Å
359E33Very low39.3Very low193 Ų193136.8 Ų136.890%0.90274%0.735SS**  trans-62.6102.6164.6-74.3175.9142.900108.6
360E25.3Very low42.2Very low181 Ų181131 Ų13185%0.84670%0.7SS**  trans-117.3110.1153.2-82.4-168.5163.200108.2Q358 S362Q358-E360 PolarHBondContact O-N 3.5Å; Q358-E360 VanDerWaalsContact O-N 3.13Å; E360-S362 PolarHBondContact O-N 3.15Å; E360-S362 VanDerWaalsContact O-N 3.11Å
361T35Very low44.9Very low148 Ų148127.1 Ų127.191%0.90869%0.687SS**  trans-63.2103.1172.749.30000109.8
362S28.2Very low47.7Very low102 Ų102122.9 Ų122.971%0.71367%0.672SS**  trans-124.3108.4157.769.40000108.5E360 S364E360-S362 PolarHBondContact O-N 3.15Å; E360-S362 VanDerWaalsContact O-N 3.11Å; S362-S364 PolarHBondContact O-N 3.31Å
363E45Very low50.6Low202 Ų202119 Ų11994%0.94466%0.655SS**  trans-52.7103.9166.6-71175.214500108.4L365E363-L365 PolarHBondContact O-N 2.88Å
364S40.5Very low53.5Low107 Ų107114.2 Ų114.275%0.74862%0.624SS**  trans-74.3123.4173.663.30000108S362 S366S362-S364 PolarHBondContact O-N 3.31Å; S364-S366 PolarHBondContact O-N 3.4Å
365L50.3Low56.4Low173 Ų173108 Ų10891%0.90660%0.599SS**  trans-57.797.8176-76.9149.5000109.2E363 S367E363-L365 PolarHBondContact O-N 2.88Å; L365-S367 PolarHBondContact O-N 3.43Å
366S59.7Low59.3Low82 Ų82105 Ų10557%0.57358%0.582SS**  trans-64.9128.8170.159.70000109S364 Q368S364-S366 PolarHBondContact O-N 3.4Å; S366-Q368 PolarHBondContact O-N 3.14Å
367S75.5Confident62.2Low5 Ų5100.1 Ų100.14%0.03556%0.561CS.*  trans-48.4129.5173.9163.50000111.2L365 S369 L370 T371 E406 D414L365-S367 PolarHBondContact O-N 3.43Å; S367-S369 VanDerWaalsContact C-N 3.32Å; S367-S369 PolarHBondContact O-N 2.65Å; S367-S369 PolarHBondContact OG-N 3.17Å; S367-L370 PolarHBondContact O-N 3.45Å; S367-L370 PolarHBondContact OG-N 3.47Å; S367-T371 PolarHBondContact O-N 3.37Å; S367-T371 PolarHBondContact O-OG1 3.22Å; S367-E406 WeakPolarHBondContact CB-OE1 3.48Å; S367-D414 WeakPolarHBondContact CA-OD2 3.48Å; S367-D414 WeakPolarHBondContact CB-OD2 3.45Å; S367-D414 PolarHBondContact OG-OD1 3.14Å; S367-D414 PolarHBondContact OG-OD2 3.43Å
368Q82.4Confident65Low157 Ų15796.2 Ų96.273%0.73453%0.527SS*.Hα-helixtrans-62.5-44.1-177.9-69.6-176.6-0.200110.2S366 L370 T371 S372 D414S366-Q368 PolarHBondContact O-N 3.14Å; Q368-L370 VanDerWaalsContact C-N 3.33Å; Q368-L370 PolarHBondContact O-N 2.83Å; Q368-T371 PolarHBondContact O-N 3.38Å; Q368-S372 WeakPolarHBondContact O-CB 3.29Å; Q368-S372 PolarHBondContact O-N 3.18Å; Q368-S372 PolarHBondContact O-OG 3.07Å; Q368-D414 PolarHBondContact N-OD2 3.09Å
369S85.8Confident67.7Low13 Ų1391.2 Ų91.29%0.09151%0.513CS..Hα-helixtrans-64.8-35.2178.5-59.50000112.6S367 T371 I373 F374 D414S367-S369 VanDerWaalsContact C-N 3.32Å; S367-S369 PolarHBondContact O-N 2.65Å; S367-S369 PolarHBondContact OG-N 3.17Å; S369-T371 VanDerWaalsContact C-N 3.31Å; S369-T371 PolarHBondContact O-N 3.2Å; S369-I373 WeakPolarHBondContact O-CA 3.39Å; S369-I373 WeakPolarHBondContact O-CB 3.4Å; S369-I373 PolarHBondContact O-N 3.39Å; S369-F374 WeakPolarHBondContact O-CD2 3.44Å; S369-F374 PolarHBondContact O-N 3.45Å; S369-D414 WeakPolarHBondContact CB-OD1 3.34Å; S369-D414 PolarHBondContact N-OD1 2.98Å; S369-D414 PolarHBondContact OG-OD1 3.24Å
370L87Confident70.1Confident14 Ų1488.1 Ų88.17%0.07350%0.498CS..Iπ-helixtrans-59.6-44.6175.8-171.584.6000110.8S367 Q368 F374 S375 V402 F403 E406 C413S367-L370 PolarHBondContact O-N 3.45Å; S367-L370 PolarHBondContact OG-N 3.47Å; Q368-L370 VanDerWaalsContact C-N 3.33Å; Q368-L370 PolarHBondContact O-N 2.83Å; L370-F374 HydrophobicContact CD1-CB 4.4Å; L370-S375 WeakPolarHBondContact O-CB 3.4Å; L370-S375 PolarHBondContact O-N 3.07Å; L370-S375 PolarHBondContact O-OG 3.38Å; L370-V402 HydrophobicContact CD1-CG1 4.06Å; L370-F403 HydrophobicContact CD1-CD2 4.37Å; L370-F403 HydrophobicContact CD1-CE2 4.28Å; L370-F403 HydrophobicContact CD1-CZ 4.49Å; L370-F403 HydrophobicContact CD2-CD1 4.15Å; L370-F403 HydrophobicContact CD2-CE1 3.84Å; L370-F403 HydrophobicContact CD2-CZ 4.14Å; L370-F403 HydrophobicContact CG-CZ 4.34Å; L370-E406 HydrophobicContact CD1-CB 4.43Å; L370-E406 HydrophobicContact CD2-CG 4.15Å; L370-C413 HydrophobicContact CB-CB 4.25Å; L370-C413 HydrophobicContact CD1-CB 4.46Å; L370-C413 VanDerWaalsContact CD1-SG 3.52Å
371T84.6Confident72.6Confident82 Ų8283.1 Ų83.150%0.50348%0.477SS..Iπ-helixtrans-78.1-40.8-179-51.40000112.7S367 Q368 S369 P376S367-T371 PolarHBondContact O-N 3.37Å; S367-T371 PolarHBondContact O-OG1 3.22Å; Q368-T371 PolarHBondContact O-N 3.38Å; S369-T371 VanDerWaalsContact C-N 3.31Å; S369-T371 PolarHBondContact O-N 3.2Å; T371-P376 WeakPolarHBondContact O-CD 3.4Å
372S85Confident74.6Confident81 Ų8182.6 Ų82.657%0.56646%0.458SS*.Iπ-helixtrans-90.9-21.9-171.470.20000114.6Q368Q368-S372 WeakPolarHBondContact O-CB 3.29Å; Q368-S372 PolarHBondContact O-N 3.18Å; Q368-S372 PolarHBondContact O-OG 3.07Å
373I87.3Confident76.8Confident74 Ų7480.3 Ų80.338%0.37945%0.446SS..Iπ-helixtrans-120.4-59.3-174.9-59.6171.2000110.7S369 P376 L377 V417S369-I373 WeakPolarHBondContact O-CA 3.39Å; S369-I373 WeakPolarHBondContact O-CB 3.4Å; S369-I373 PolarHBondContact O-N 3.39Å; I373-P376 WeakPolarHBondContact O-CD 3.29Å; I373-L377 WeakPolarHBondContact O-CB 3.38Å; I373-L377 PolarHBondContact O-N 3.5Å; I373-V417 HydrophobicContact CD1-CG1 3.79Å; I373-V417 HydrophobicContact CD1-CG2 4.05Å
374F88.1Confident78Confident24 Ų2473.8 Ų73.811%0.10542%0.42CS..Iπ-helixtrans-70.7-42.9-172-71-82.4000112.8S369 L370 L377 F378 C413 L416 V417S369-F374 WeakPolarHBondContact O-CD2 3.44Å; S369-F374 PolarHBondContact O-N 3.45Å; L370-F374 HydrophobicContact CD1-CB 4.4Å; F374-L377 PolarHBondContact O-N 3.46Å; F374-F378 HydrophobicContact CB-CD2 4.33Å; F374-F378 HydrophobicContact CB-CE2 4.01Å; F374-F378 HydrophobicContact CD1-CE2 4.19Å; F374-F378 HydrophobicContact CD1-CZ 4.47Å; F374-F378 WeakPolarHBondContact O-CD2 3.4Å; F374-F378 WeakPolarHBondContact O-CG 3.2Å; F374-F378 PolarHBondContact O-N 2.92Å; F374-C413 HydrophobicContact CD2-CB 3.93Å; F374-C413 HydrophobicContact CE2-CB 3.76Å; F374-L416 HydrophobicContact CE1-CD2 4.41Å; F374-L416 HydrophobicContact CZ-CD2 3.93Å; F374-V417 HydrophobicContact CE2-CG2 3.59Å; F374-V417 HydrophobicContact CZ-CG2 3.96Å
375S85.8Confident79Confident38 Ų3869.5 Ų69.527%0.26639%0.392SS..Hα-helixtrans-62.6-48.7-178.6-59.90000112.9L370 L377 F378 S379L370-S375 WeakPolarHBondContact O-CB 3.4Å; L370-S375 PolarHBondContact O-N 3.07Å; L370-S375 PolarHBondContact O-OG 3.38Å; S375-L377 PolarHBondContact O-N 3.48Å; S375-F378 PolarHBondContact O-N 3.01Å; S375-S379 PolarHBondContact O-N 3.19Å; S375-S379 PolarHBondContact O-OG 3.43Å
376P87.4Confident79.5Confident67 Ų6767.2 Ų67.244%0.43538%0.377SS..Hα-helixtrans-62-40.7174-22.633.8000113T371 I373 F378 S379 E380T371-P376 WeakPolarHBondContact O-CD 3.4Å; I373-P376 WeakPolarHBondContact O-CD 3.29Å; P376-F378 PolarHBondContact O-N 3.38Å; P376-S379 WeakPolarHBondContact O-CB 3.29Å; P376-S379 PolarHBondContact O-N 3.26Å; P376-E380 PolarHBondContact O-N 2.99Å
377L86.5Confident79.5Confident76 Ų7669 Ų6940%0.39838%0.384SS..Hα-helixtrans-60.2-43.4179.4179.768000112I373 F374 S375 E380 L381I373-L377 WeakPolarHBondContact O-CB 3.38Å; I373-L377 PolarHBondContact O-N 3.5Å; F374-L377 PolarHBondContact O-N 3.46Å; S375-L377 PolarHBondContact O-N 3.48Å; L377-E380 PolarHBondContact O-N 3.28Å; L377-L381 HydrophobicContact CD1-CD1 4.39Å; L377-L381 HydrophobicContact CD1-CG 4.49Å; L377-L381 HydrophobicContact CG-CD1 4.01Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 3.45Å
378F87.1Confident78.6Confident14 Ų1472.4 Ų72.46%0.06141%0.408CS..Hα-helixtrans-69.2-33.9177.2-70-54.4000112.6F374 S375 P376 E380 L381 R382 L398 R399 V402F374-F378 HydrophobicContact CB-CD2 4.33Å; F374-F378 HydrophobicContact CB-CE2 4.01Å; F374-F378 HydrophobicContact CD1-CE2 4.19Å; F374-F378 HydrophobicContact CD1-CZ 4.47Å; F374-F378 WeakPolarHBondContact O-CD2 3.4Å; F374-F378 WeakPolarHBondContact O-CG 3.2Å; F374-F378 PolarHBondContact O-N 2.92Å; S375-F378 PolarHBondContact O-N 3.01Å; P376-F378 PolarHBondContact O-N 3.38Å; F378-E380 VanDerWaalsContact C-N 3.34Å; F378-L381 HydrophobicContact CD1-CD1 4.18Å; F378-R382 WeakPolarHBondContact O-CB 3.45Å; F378-R382 PolarHBondContact O-N 3.13Å; F378-L398 HydrophobicContact CE1-CB 4.44Å; F378-L398 HydrophobicContact CE1-CD2 3.95Å; F378-L398 HydrophobicContact CE1-CG 3.9Å; F378-L398 HydrophobicContact CZ-CG 4.23Å; F378-R399 HydrophobicContact CB-CB 4.39Å; F378-R399 HydrophobicContact CB-CG 4.08Å; F378-R399 HydrophobicContact CD1-CB 4.25Å; F378-R399 HydrophobicContact CD2-CB 4.16Å; F378-R399 HydrophobicContact CD2-CG 3.8Å; F378-R399 HydrophobicContact CE2-CG 4.42Å; F378-R399 HydrophobicContact CG-CB 4.02Å; F378-R399 HydrophobicContact CG-CG 3.95Å; F378-V402 HydrophobicContact CE2-CB 4.24Å; F378-V402 HydrophobicContact CE2-CG1 4.27Å; F378-V402 HydrophobicContact CE2-CG2 4.39Å; F378-V402 HydrophobicContact CZ-CB 4.33Å; F378-V402 HydrophobicContact CZ-CG2 3.99Å
379S82.6Confident77.4Confident83 Ų8373.4 Ų73.458%0.5842%0.419SS*.Hα-helixtrans-63.2-40.7171.6-63.50000112S375 P376 A383S375-S379 PolarHBondContact O-N 3.19Å; S375-S379 PolarHBondContact O-OG 3.43Å; P376-S379 WeakPolarHBondContact O-CB 3.29Å; P376-S379 PolarHBondContact O-N 3.26Å; S379-A383 PolarHBondContact O-N 3.21Å; S379-A383 VanDerWaalsContact O-N 3.1Å
380E83Confident76.2Confident128 Ų12874.6 Ų74.660%0.59843%0.433SS*.Hα-helixtrans-70.9-42.7177.5-168.8174.2-16800112.4P376 L377 F378 R382 A383 T384P376-E380 PolarHBondContact O-N 2.99Å; L377-E380 PolarHBondContact O-N 3.28Å; F378-E380 VanDerWaalsContact C-N 3.34Å; E380-R382 VanDerWaalsContact C-N 3.27Å; E380-R382 PolarHBondContact O-N 2.8Å; E380-A383 PolarHBondContact O-N 2.78Å; E380-T384 WeakPolarHBondContact O-CG2 3.4Å; E380-T384 PolarHBondContact O-N 3.41Å; E380-T384 PolarHBondContact O-OG1 3.35Å
381L78.4Confident75.3Confident76 Ų7681.9 Ų81.940%0.39846%0.464SS..Hα-helixtrans-61-36.3174.6-78.1170.3000112.3L377 F378 T384 G385L377-L381 HydrophobicContact CD1-CD1 4.39Å; L377-L381 HydrophobicContact CD1-CG 4.49Å; L377-L381 HydrophobicContact CG-CD1 4.01Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 3.45Å; F378-L381 HydrophobicContact CD1-CD1 4.18Å; L381-T384 WeakPolarHBondContact CA-OG1 3.48Å; L381-T384 PolarHBondContact O-OG1 2.94Å; L381-T384 VanDerWaalsContact O-OG1 3.1Å; L381-G385 PolarHBondContact O-N 3.34Å
382R76.2Confident74.5Confident136 Ų13680.1 Ų80.151%0.51345%0.454SS..Hα-helixtrans-67.1-46.8174-176178.8170.2-178.60.1111.5F378 E380 T384 G385 E386F378-R382 WeakPolarHBondContact O-CB 3.45Å; F378-R382 PolarHBondContact O-N 3.13Å; E380-R382 VanDerWaalsContact C-N 3.27Å; E380-R382 PolarHBondContact O-N 2.8Å; R382-T384 VanDerWaalsContact C-N 3.33Å; R382-T384 PolarHBondContact O-N 3.38Å; R382-G385 PolarHBondContact O-N 3.17Å; R382-E386 IonicContact NE-OE1 3.54Å; R382-E386 WeakPolarHBondContact O-CG 3.43Å; R382-E386 PolarHBondContact O-N 3.2Å
383A74.6Confident74Confident55 Ų5582.1 Ų82.146%0.45545%0.454SS..Hα-helixtrans-63.6-38.1179.600000112.6S379 E380S379-A383 PolarHBondContact O-N 3.21Å; S379-A383 VanDerWaalsContact O-N 3.1Å; E380-A383 PolarHBondContact O-N 2.78Å
384T69.4Low73.5Confident65 Ų6581.3 Ų81.340%0.39946%0.459SS..Hα-helixtrans-75-30.4177.1520000113E380 L381 R382 E386 T387 S388E380-T384 WeakPolarHBondContact O-CG2 3.4Å; E380-T384 PolarHBondContact O-N 3.41Å; E380-T384 PolarHBondContact O-OG1 3.35Å; L381-T384 WeakPolarHBondContact CA-OG1 3.48Å; L381-T384 PolarHBondContact O-OG1 2.94Å; L381-T384 VanDerWaalsContact O-OG1 3.1Å; R382-T384 VanDerWaalsContact C-N 3.33Å; R382-T384 PolarHBondContact O-N 3.38Å; T384-E386 VanDerWaalsContact C-N 3.34Å; T384-T387 PolarHBondContact O-N 2.94Å; T384-T387 PolarHBondContact O-OG1 3.3Å; T384-T387 VanDerWaalsContact O-OG1 3.1Å; T384-S388 VanDerWaalsContact O-CB 3.29Å; T384-S388 WeakPolarHBondContact O-CB 3.49Å; T384-S388 PolarHBondContact O-N 3Å; T384-S388 PolarHBondContact O-OG 2.91Å
385G63.4Low73Confident16 Ų1681.2 Ų81.217%0.16546%0.462CS..Hα-helixtrans-64.5-36.2173.300000113.1L381 R382 T387L381-G385 PolarHBondContact O-N 3.34Å; R382-G385 PolarHBondContact O-N 3.17Å; G385-T387 VanDerWaalsContact C-N 3.33Å; G385-T387 PolarHBondContact O-N 2.95Å
386E59.8Low72.7Confident126 Ų12681.9 Ų81.959%0.58946%0.461SS*.Hα-helixtrans-70.1-25.1178.9-71173-174.100113.2R382 T384R382-E386 IonicContact NE-OE1 3.54Å; R382-E386 WeakPolarHBondContact O-CG 3.43Å; R382-E386 PolarHBondContact O-N 3.2Å; T384-E386 VanDerWaalsContact C-N 3.34Å
387T60Low72.5Confident119 Ų11985.4 Ų85.473%0.7347%0.472SS*.Hα-helixtrans-94.1-14179.356.50000114.5T384 G385T384-T387 PolarHBondContact O-N 2.94Å; T384-T387 PolarHBondContact O-OG1 3.3Å; T384-T387 VanDerWaalsContact O-OG1 3.1Å; G385-T387 VanDerWaalsContact C-N 3.33Å; G385-T387 PolarHBondContact O-N 2.95Å
388S56.1Low72.4Confident76 Ų7686.3 Ų86.353%0.53148%0.476SS..THydrogen-bonded Turntrans-131.141.3-159.6-33.70000114.3T384 G390T384-S388 VanDerWaalsContact O-CB 3.29Å; T384-S388 WeakPolarHBondContact O-CB 3.49Å; T384-S388 PolarHBondContact O-N 3Å; T384-S388 PolarHBondContact O-OG 2.91Å; S388-G390 PolarHBondContact O-N 3.45Å
389N57.3Low72.4Confident179 Ų17989.6 Ų89.696%0.95749%0.488SS*.THydrogen-bonded Turntrans46.921.7177.9-141.228.9000115
390G61.4Low72.6Confident37 Ų3791.5 Ų91.538%0.38149%0.486SS..  trans-87.8159.6179.800000109.6S388 P392S388-G390 PolarHBondContact O-N 3.45Å; G390-P392 WeakPolarHBondContact O-CD 3.48Å
391K66.8Low72.8Confident168 Ų16888 Ų8873%0.7348%0.48SS*.  trans-86.9100.5176.9-68.7-177.5179-179.40109.7E393 A394K391-E393 PolarHBondContact O-N 2.86Å; K391-A394 HydrophobicContact CB-CB 4.48Å; K391-A394 PolarHBondContact O-N 3.44Å
392P68.6Low73.3Confident45 Ų4585.9 Ų85.929%0.29247%0.469SS..Hα-helixtrans-63.6-21.4179.828.5-36.1000112.2G390 A394 A395 E396G390-P392 WeakPolarHBondContact O-CD 3.48Å; P392-A394 VanDerWaalsContact C-N 3.32Å; P392-A394 PolarHBondContact O-N 3.19Å; P392-A395 PolarHBondContact O-N 3.03Å; P392-E396 PolarHBondContact O-N 3.38Å
393E74.8Confident73.8Confident123 Ų12382.2 Ų82.258%0.57546%0.457SS*.Hα-helixtrans-63.6-37.1177.1-57.589.5-178.400112.4K391 A395 E396 E397K391-E393 PolarHBondContact O-N 2.86Å; E393-A395 PolarHBondContact O-N 3.28Å; E393-E396 PolarHBondContact O-N 2.83Å; E393-E397 PolarHBondContact O-N 3.23Å
394A76.1Confident74.3Confident57 Ų5784.5 Ų84.547%0.47146%0.462SS..Hα-helixtrans-68.1-36.1-178.700000112.3K391 P392 E396 L398K391-A394 HydrophobicContact CB-CB 4.48Å; K391-A394 PolarHBondContact O-N 3.44Å; P392-A394 VanDerWaalsContact C-N 3.32Å; P392-A394 PolarHBondContact O-N 3.19Å; A394-E396 VanDerWaalsContact C-N 3.32Å; A394-L398 WeakPolarHBondContact O-CB 3.48Å; A394-L398 PolarHBondContact O-N 3.42Å
395A77.3Confident75.1Confident22 Ų2283.3 Ų83.318%0.18246%0.458CS..Hα-helixtrans-66.8-36.6175.900000111.5P392 E393 R399P392-A395 PolarHBondContact O-N 3.03Å; E393-A395 PolarHBondContact O-N 3.28Å; A395-R399 WeakPolarHBondContact O-CB 3.25Å; A395-R399 PolarHBondContact O-N 3.02Å
396E80.2Confident76.4Confident51 Ų5183.2 Ų83.224%0.23845%0.453CS..Hα-helixtrans-74.8-36.5178.2-176.457.8-160.400112.5P392 E393 A394 R399 K400P392-E396 PolarHBondContact O-N 3.38Å; E393-E396 PolarHBondContact O-N 2.83Å; A394-E396 VanDerWaalsContact C-N 3.32Å; E396-R399 PolarHBondContact O-N 3.24Å; E396-R399 IonicContact OE1-CZ 2.7Å; E396-R399 IonicContact OE1-NE 2.79Å; E396-R399 PolarHBondContact OE1-NE 3.47Å; E396-R399 IonicContact OE1-NH2 2.85Å; E396-R399 PolarHBondContact OE1-NH2 3.25Å; E396-R399 IonicContact OE2-CZ 3.61Å; E396-R399 IonicContact OE2-NE 2.9Å; E396-R399 PolarHBondContact OE2-NE 3.4Å; E396-R399 IonicContact OE2-NH2 3.4Å; E396-K400 WeakPolarHBondContact O-CG 3.4Å; E396-K400 PolarHBondContact O-N 2.74Å; E396-K400 WeakPolarHBondContact OE1-CE 3.38Å
397E84Confident77.4Confident141 Ų14183.3 Ų83.366%0.65946%0.458SS*.Hα-helixtrans-62.5-44.9171.1-77.5-174.5170.700111.7E393 R399 K400 A401E393-E397 PolarHBondContact O-N 3.23Å; E397-R399 VanDerWaalsContact C-N 3.34Å; E397-R399 PolarHBondContact O-N 2.81Å; E397-K400 PolarHBondContact O-N 3.1Å; E397-A401 PolarHBondContact O-N 3.17Å
398L83.2Confident78.6Confident95 Ų9583.8 Ų83.850%0.49746%0.455SS..Hα-helixtrans-62.1-42.6176.1-17760000111.5F378 A394 K400 A401 V402F378-L398 HydrophobicContact CE1-CB 4.44Å; F378-L398 HydrophobicContact CE1-CD2 3.95Å; F378-L398 HydrophobicContact CE1-CG 3.9Å; F378-L398 HydrophobicContact CZ-CG 4.23Å; A394-L398 WeakPolarHBondContact O-CB 3.48Å; A394-L398 PolarHBondContact O-N 3.42Å; L398-K400 PolarHBondContact O-N 3.13Å; L398-A401 PolarHBondContact O-N 3.37Å; L398-V402 HydrophobicContact CD1-CG2 4.42Å; L398-V402 WeakPolarHBondContact O-CG2 3.46Å; L398-V402 PolarHBondContact O-N 3.43Å
399R87.1Confident79.9Confident83 Ų8385.7 Ų85.731%0.31346%0.455SS..Hα-helixtrans-57.5-49174.4-170.1-172.375.878.50.7111F378 A395 E396 E397 A401 V402 F403F378-R399 HydrophobicContact CB-CB 4.39Å; F378-R399 HydrophobicContact CB-CG 4.08Å; F378-R399 HydrophobicContact CD1-CB 4.25Å; F378-R399 HydrophobicContact CD2-CB 4.16Å; F378-R399 HydrophobicContact CD2-CG 3.8Å; F378-R399 HydrophobicContact CE2-CG 4.42Å; F378-R399 HydrophobicContact CG-CB 4.02Å; F378-R399 HydrophobicContact CG-CG 3.95Å; A395-R399 WeakPolarHBondContact O-CB 3.25Å; A395-R399 PolarHBondContact O-N 3.02Å; E396-R399 PolarHBondContact O-N 3.24Å; E396-R399 IonicContact OE1-CZ 2.7Å; E396-R399 IonicContact OE1-NE 2.79Å; E396-R399 PolarHBondContact OE1-NE 3.47Å; E396-R399 IonicContact OE1-NH2 2.85Å; E396-R399 PolarHBondContact OE1-NH2 3.25Å; E396-R399 IonicContact OE2-CZ 3.61Å; E396-R399 IonicContact OE2-NE 2.9Å; E396-R399 PolarHBondContact OE2-NE 3.4Å; E396-R399 IonicContact OE2-NH2 3.4Å; E397-R399 VanDerWaalsContact C-N 3.34Å; E397-R399 PolarHBondContact O-N 2.81Å; R399-A401 VanDerWaalsContact C-N 3.34Å; R399-A401 PolarHBondContact O-N 3.08Å; R399-V402 PolarHBondContact O-N 3.26Å; R399-F403 HydrophobicContact CG-CD2 3.96Å; R399-F403 HydrophobicContact CG-CE2 3.88Å; R399-F403 VanDerWaalsContact O-CD2 3.24Å; R399-F403 WeakPolarHBondContact O-CD2 3.19Å; R399-F403 PolarHBondContact O-N 2.97Å
400K86.6Confident81.4Confident123 Ų12381.8 Ų81.854%0.53544%0.439SS..Hα-helixtrans-61-41.7178.9-73.1172.1-176.7173.20112.2E396 E397 L398 F403 L404E396-K400 WeakPolarHBondContact O-CG 3.4Å; E396-K400 PolarHBondContact O-N 2.74Å; E396-K400 WeakPolarHBondContact OE1-CE 3.38Å; E397-K400 PolarHBondContact O-N 3.1Å; L398-K400 PolarHBondContact O-N 3.13Å; K400-F403 PolarHBondContact O-N 2.9Å; K400-L404 VanDerWaalsContact O-CB 3.31Å; K400-L404 WeakPolarHBondContact O-CB 3.41Å; K400-L404 PolarHBondContact O-N 3Å
401A88.9Confident82.6Confident56 Ų5681.1 Ų81.146%0.46343%0.433SS..Hα-helixtrans-63-42.6177.900000112.2E397 L398 R399 L404 A405E397-A401 PolarHBondContact O-N 3.17Å; L398-A401 PolarHBondContact O-N 3.37Å; R399-A401 VanDerWaalsContact C-N 3.34Å; R399-A401 PolarHBondContact O-N 3.08Å; A401-L404 PolarHBondContact O-N 2.97Å; A401-A405 WeakPolarHBondContact O-CB 3.49Å; A401-A405 PolarHBondContact O-N 3.09Å
402V87.4Confident83.6Confident30 Ų3076.2 Ų76.218%0.18241%0.414CS..Hα-helixtrans-66.8-42.4178.1172.40000111.7L370 F378 L398 R399 A405 E406L370-V402 HydrophobicContact CD1-CG1 4.06Å; F378-V402 HydrophobicContact CE2-CB 4.24Å; F378-V402 HydrophobicContact CE2-CG1 4.27Å; F378-V402 HydrophobicContact CE2-CG2 4.39Å; F378-V402 HydrophobicContact CZ-CB 4.33Å; F378-V402 HydrophobicContact CZ-CG2 3.99Å; L398-V402 HydrophobicContact CD1-CG2 4.42Å; L398-V402 WeakPolarHBondContact O-CG2 3.46Å; L398-V402 PolarHBondContact O-N 3.43Å; R399-V402 PolarHBondContact O-N 3.26Å; V402-A405 PolarHBondContact O-N 3.27Å; V402-E406 PolarHBondContact O-N 2.93Å
403F87.1Confident84.7Confident59 Ų5974.3 Ų74.326%0.25940%0.401SS..Hα-helixtrans-66.2-37.8175.6-86.3-105.5000112.4L370 R399 K400 E406 N407L370-F403 HydrophobicContact CD1-CD2 4.37Å; L370-F403 HydrophobicContact CD1-CE2 4.28Å; L370-F403 HydrophobicContact CD1-CZ 4.49Å; L370-F403 HydrophobicContact CD2-CD1 4.15Å; L370-F403 HydrophobicContact CD2-CE1 3.84Å; L370-F403 HydrophobicContact CD2-CZ 4.14Å; L370-F403 HydrophobicContact CG-CZ 4.34Å; R399-F403 HydrophobicContact CG-CD2 3.96Å; R399-F403 HydrophobicContact CG-CE2 3.88Å; R399-F403 VanDerWaalsContact O-CD2 3.24Å; R399-F403 WeakPolarHBondContact O-CD2 3.19Å; R399-F403 PolarHBondContact O-N 2.97Å; K400-F403 PolarHBondContact O-N 2.9Å; F403-E406 PolarHBondContact O-N 3.32Å; F403-N407 VanDerWaalsContact O-CG 3.3Å; F403-N407 PolarHBondContact O-N 3.16Å; F403-N407 PolarHBondContact O-ND2 3.21Å
404L86.3Confident85.4Confident104 Ų10470.9 Ų70.955%0.54539%0.387SS..Hα-helixtrans-65.2-41.1174.5-178.262.8000111.4K400 A401 N407 I408K400-L404 VanDerWaalsContact O-CB 3.31Å; K400-L404 WeakPolarHBondContact O-CB 3.41Å; K400-L404 PolarHBondContact O-N 3Å; A401-L404 PolarHBondContact O-N 2.97Å; L404-N407 PolarHBondContact O-N 3.13Å; L404-I408 HydrophobicContact CD1-CD1 3.97Å; L404-I408 HydrophobicContact CD1-CG1 4.35Å; L404-I408 HydrophobicContact CG-CD1 3.82Å; L404-I408 VanDerWaalsContact O-CG1 3.28Å; L404-I408 WeakPolarHBondContact O-CG1 3.36Å; L404-I408 PolarHBondContact O-N 3.34Å
405A86Confident86Confident40 Ų4071.9 Ų71.933%0.33139%0.39SS..Hα-helixtrans-62.2-41.6175.900000112A401 V402 I408 H409 I412A401-A405 WeakPolarHBondContact O-CB 3.49Å; A401-A405 PolarHBondContact O-N 3.09Å; V402-A405 PolarHBondContact O-N 3.27Å; A405-I408 PolarHBondContact O-N 3.04Å; A405-H409 PolarHBondContact O-N 3.12Å; A405-I412 HydrophobicContact CB-CG2 4.48Å
406E89Confident86.6Confident13 Ų1375.1 Ų75.16%0.06140%0.404CS..Hα-helixtrans-65.6-38.5175.6-171.770-155.900112.3S367 L370 V402 F403 H409 P410 G411 I412 C413S367-E406 WeakPolarHBondContact CB-OE1 3.48Å; L370-E406 HydrophobicContact CD1-CB 4.43Å; L370-E406 HydrophobicContact CD2-CG 4.15Å; V402-E406 PolarHBondContact O-N 2.93Å; F403-E406 PolarHBondContact O-N 3.32Å; E406-H409 CarbonylContact O-C 3.6Å; E406-H409 PolarHBondContact O-N 3.38Å; E406-P410 WeakPolarHBondContact O-CA 3.45Å; E406-P410 VanDerWaalsContact O-N 3.1Å; E406-G411 PolarHBondContact OE1-N 3.28Å; E406-I412 HydrophobicContact CB-CG2 4.43Å; E406-I412 VanDerWaalsContact OE2-CG2 3.28Å; E406-I412 WeakPolarHBondContact OE2-CG2 3.26Å; E406-I412 PolarHBondContact OE2-N 3.27Å; E406-C413 VanDerWaalsContact OE2-CB 3.28Å; E406-C413 WeakPolarHBondContact OE2-CB 3.28Å; E406-C413 PolarHBondContact OE2-N 2.95Å; E406-C413 PolarHBondContact OE2-SG 3.17Å
407N81.9Confident87.1Confident128 Ų12873.8 Ų73.868%0.68440%0.4SS*.Hα-helixtrans-68-36.3176.1-73-22.4000112.7F403 L404F403-N407 VanDerWaalsContact O-CG 3.3Å; F403-N407 PolarHBondContact O-N 3.16Å; F403-N407 PolarHBondContact O-ND2 3.21Å; L404-N407 PolarHBondContact O-N 3.13Å
408I85.5Confident87.3Confident130 Ų13069.9 Ų69.967%0.66739%0.391SS*.Hα-helixtrans-75.6-32.9176.3-65.9167.3000110.7L404 A405L404-I408 HydrophobicContact CD1-CD1 3.97Å; L404-I408 HydrophobicContact CD1-CG1 4.35Å; L404-I408 HydrophobicContact CG-CD1 3.82Å; L404-I408 VanDerWaalsContact O-CG1 3.28Å; L404-I408 WeakPolarHBondContact O-CG1 3.36Å; L404-I408 PolarHBondContact O-N 3.34Å; A405-I408 PolarHBondContact O-N 3.04Å
409H83.1Confident87.6Confident115 Ų11568.9 Ų68.953%0.53238%0.384SS..SBendtrans-138.988.7-179.5-162.264.9000112A405 E406 G411 I412A405-H409 PolarHBondContact O-N 3.12Å; E406-H409 CarbonylContact O-C 3.6Å; E406-H409 PolarHBondContact O-N 3.38Å; H409-G411 PolarHBondContact O-N 3.04Å; H409-I412 HydrophobicContact CB-CB 4.38Å; H409-I412 HydrophobicContact CB-CD1 4.37Å; H409-I412 WeakPolarHBondContact O-CB 3.15Å; H409-I412 WeakPolarHBondContact O-CG2 3.24Å; H409-I412 PolarHBondContact O-N 3.44Å
410P88.6Confident87.5Confident97 Ų9769.2 Ų69.263%0.6339%0.392SS*.THydrogen-bonded Turntrans-60.7131.9-179.4-25.134.8000112.5E406E406-P410 WeakPolarHBondContact O-CA 3.45Å; E406-P410 VanDerWaalsContact O-N 3.1Å
411G86.2Confident87.4Confident23 Ų2367.9 Ų67.924%0.23739%0.39CS..THydrogen-bonded Turntrans89.84.4-177.600000114.9E406 H409 C413 D414 S415E406-G411 PolarHBondContact OE1-N 3.28Å; H409-G411 PolarHBondContact O-N 3.04Å; G411-C413 VanDerWaalsContact C-N 3.3Å; G411-C413 PolarHBondContact O-N 2.72Å; G411-D414 PolarHBondContact O-N 3.41Å; G411-S415 PolarHBondContact O-N 3.39Å; G411-S415 VanDerWaalsContact O-N 3.09Å; G411-S415 PolarHBondContact O-OG 3.03Å
412I88.6Confident87.1Confident66 Ų6669.4 Ų69.434%0.33839%0.387SS..Hα-helixtrans-64.3-36.8178.7-161.1166.7000111.6A405 E406 H409 S415 L416A405-I412 HydrophobicContact CB-CG2 4.48Å; E406-I412 HydrophobicContact CB-CG2 4.43Å; E406-I412 VanDerWaalsContact OE2-CG2 3.28Å; E406-I412 WeakPolarHBondContact OE2-CG2 3.26Å; E406-I412 PolarHBondContact OE2-N 3.27Å; H409-I412 HydrophobicContact CB-CB 4.38Å; H409-I412 HydrophobicContact CB-CD1 4.37Å; H409-I412 WeakPolarHBondContact O-CB 3.15Å; H409-I412 WeakPolarHBondContact O-CG2 3.24Å; H409-I412 PolarHBondContact O-N 3.44Å; I412-S415 PolarHBondContact O-N 3.05Å; I412-L416 WeakPolarHBondContact O-CB 3.22Å; I412-L416 PolarHBondContact O-N 3.07Å
413C90.3Very high86.8Confident4 Ų474.8 Ų74.83%0.02740%0.404CS..Hα-helixtrans-66.6-39.3177.6-68.80000112.4L370 F374 E406 G411 L416 V417L370-C413 HydrophobicContact CB-CB 4.25Å; L370-C413 HydrophobicContact CD1-CB 4.46Å; L370-C413 VanDerWaalsContact CD1-SG 3.52Å; F374-C413 HydrophobicContact CD2-CB 3.93Å; F374-C413 HydrophobicContact CE2-CB 3.76Å; E406-C413 VanDerWaalsContact OE2-CB 3.28Å; E406-C413 WeakPolarHBondContact OE2-CB 3.28Å; E406-C413 PolarHBondContact OE2-N 2.95Å; E406-C413 PolarHBondContact OE2-SG 3.17Å; G411-C413 VanDerWaalsContact C-N 3.3Å; G411-C413 PolarHBondContact O-N 2.72Å; C413-L416 PolarHBondContact O-N 3.21Å; C413-V417 WeakPolarHBondContact O-CG2 3.43Å; C413-V417 PolarHBondContact O-N 3.34Å; C413-V417 VanDerWaalsContact O-N 3.12Å
414D91.1Very high86.4Confident52 Ų5277.3 Ų77.328%0.27842%0.42SS..Hα-helixtrans-66.2-41.7176.1-67.9-48.4000111.5S367 Q368 S369 G411 L416 V417 A418S367-D414 WeakPolarHBondContact CA-OD2 3.48Å; S367-D414 WeakPolarHBondContact CB-OD2 3.45Å; S367-D414 PolarHBondContact OG-OD1 3.14Å; S367-D414 PolarHBondContact OG-OD2 3.43Å; Q368-D414 PolarHBondContact N-OD2 3.09Å; S369-D414 WeakPolarHBondContact CB-OD1 3.34Å; S369-D414 PolarHBondContact N-OD1 2.98Å; S369-D414 PolarHBondContact OG-OD1 3.24Å; G411-D414 PolarHBondContact O-N 3.41Å; D414-L416 VanDerWaalsContact C-N 3.34Å; D414-L416 PolarHBondContact O-N 2.97Å; D414-V417 PolarHBondContact O-N 3.11Å; D414-A418 WeakPolarHBondContact O-CB 3.35Å; D414-A418 PolarHBondContact O-N 3.01Å
415S88.4Confident86Confident77 Ų7778.7 Ų78.754%0.53842%0.423SS..Hα-helixtrans-62.9-41.1177.4-58.50000111.8G411 I412 A418 E419G411-S415 PolarHBondContact O-N 3.39Å; G411-S415 VanDerWaalsContact O-N 3.09Å; G411-S415 PolarHBondContact O-OG 3.03Å; I412-S415 PolarHBondContact O-N 3.05Å; S415-A418 PolarHBondContact O-N 2.9Å; S415-E419 PolarHBondContact O-N 3.17Å; S415-E419 VanDerWaalsContact O-N 3.09Å
416L89.8Confident85.3Confident91 Ų9185 Ų8548%0.47644%0.439SS..Hα-helixtrans-63.4-44.9177.4-177.263.5000111.7F374 I412 C413 D414 L420F374-L416 HydrophobicContact CE1-CD2 4.41Å; F374-L416 HydrophobicContact CZ-CD2 3.93Å; I412-L416 WeakPolarHBondContact O-CB 3.22Å; I412-L416 PolarHBondContact O-N 3.07Å; C413-L416 PolarHBondContact O-N 3.21Å; D414-L416 VanDerWaalsContact C-N 3.34Å; D414-L416 PolarHBondContact O-N 2.97Å; L416-L420 HydrophobicContact CG-CD1 4.3Å; L416-L420 WeakPolarHBondContact O-CG 3.23Å; L416-L420 PolarHBondContact O-N 2.92Å; L416-L420 VanDerWaalsContact O-N 3.09Å
417V89.9Confident84.1Confident23 Ų2393.3 Ų93.314%0.13948%0.475CS..Hα-helixtrans-66.6-41.4178.5171.50000111.3I373 F374 C413 D414 E419 L420 L421I373-V417 HydrophobicContact CD1-CG1 3.79Å; I373-V417 HydrophobicContact CD1-CG2 4.05Å; F374-V417 HydrophobicContact CE2-CG2 3.59Å; F374-V417 HydrophobicContact CZ-CG2 3.96Å; C413-V417 WeakPolarHBondContact O-CG2 3.43Å; C413-V417 PolarHBondContact O-N 3.34Å; C413-V417 VanDerWaalsContact O-N 3.12Å; D414-V417 PolarHBondContact O-N 3.11Å; V417-E419 PolarHBondContact O-N 3.4Å; V417-L420 PolarHBondContact O-N 3.44Å; V417-L421 HydrophobicContact CG1-CD1 4.11Å; V417-L421 HydrophobicContact CG1-CG 4.44Å; V417-L421 WeakPolarHBondContact O-CG 3.35Å; V417-L421 PolarHBondContact O-N 3.17Å
418A88.8Confident83Confident58 Ų5891.7 Ų91.748%0.47947%0.474SS..Hα-helixtrans-60.6-45177.600000112.2D414 S415 L421 Q422D414-A418 WeakPolarHBondContact O-CB 3.35Å; D414-A418 PolarHBondContact O-N 3.01Å; S415-A418 PolarHBondContact O-N 2.9Å; A418-L421 PolarHBondContact O-N 3.47Å; A418-Q422 WeakPolarHBondContact O-CB 3.25Å; A418-Q422 PolarHBondContact O-N 2.65Å
419E88.2Confident81.4Confident75 Ų7590.8 Ų90.835%0.3547%0.474SS..Hα-helixtrans-64.6-40.7177.5-179.761.9-155.400111.7S415 V417 Q422 R423S415-E419 PolarHBondContact O-N 3.17Å; S415-E419 VanDerWaalsContact O-N 3.09Å; V417-E419 PolarHBondContact O-N 3.4Å; E419-Q422 PolarHBondContact O-N 2.83Å; E419-R423 WeakPolarHBondContact O-CG 3.18Å; E419-R423 PolarHBondContact O-N 3.16Å; E419-R423 IonicContact OE1-CZ 2.79Å; E419-R423 IonicContact OE1-NE 3.39Å; E419-R423 PolarHBondContact OE1-NE 3.2Å; E419-R423 IonicContact OE1-NH2 3.84Å; E419-R423 PolarHBondContact OE1-NH2 3.15Å
420L85.8Confident79.8Confident90 Ų9090.7 Ų90.747%0.47148%0.484SS..Hα-helixtrans-62.4-43.9175.6-77168.5000112L416 V417 R423 L424L416-L420 HydrophobicContact CG-CD1 4.3Å; L416-L420 WeakPolarHBondContact O-CG 3.23Å; L416-L420 PolarHBondContact O-N 2.92Å; L416-L420 VanDerWaalsContact O-N 3.09Å; V417-L420 PolarHBondContact O-N 3.44Å; L420-R423 PolarHBondContact O-N 2.97Å; L420-L424 WeakPolarHBondContact O-CG 3.48Å; L420-L424 PolarHBondContact O-N 2.9Å
421L85.4Confident77.9Confident95 Ų9595.4 Ų95.450%0.49750%0.497SS..Hα-helixtrans-63.5-41.8175.9-72.2174.5000111.6V417 A418 R423 L424 Q425V417-L421 HydrophobicContact CG1-CD1 4.11Å; V417-L421 HydrophobicContact CG1-CG 4.44Å; V417-L421 WeakPolarHBondContact O-CG 3.35Å; V417-L421 PolarHBondContact O-N 3.17Å; A418-L421 PolarHBondContact O-N 3.47Å; L421-R423 VanDerWaalsContact C-N 3.31Å; L421-R423 PolarHBondContact O-N 3.41Å; L421-L424 PolarHBondContact O-N 2.99Å; L421-Q425 WeakPolarHBondContact O-CB 3.38Å; L421-Q425 VanDerWaalsContact O-CG 3.32Å; L421-Q425 WeakPolarHBondContact O-CG 3.13Å; L421-Q425 PolarHBondContact O-N 2.68Å
422Q82.8Confident75.8Confident88 Ų8898.6 Ų98.641%0.41152%0.522SS..Hα-helixtrans-62.7-39.7177.3-167.8179.117.500111.7A418 E419 R426A418-Q422 WeakPolarHBondContact O-CB 3.25Å; A418-Q422 PolarHBondContact O-N 2.65Å; E419-Q422 PolarHBondContact O-N 2.83Å; Q422-R426 WeakPolarHBondContact O-CG 3.14Å; Q422-R426 PolarHBondContact O-N 3.35Å
423R81.3Confident73.9Confident142 Ų142100.3 Ų100.354%0.53655%0.545SS..Hα-helixtrans-65.1-46.3175.2-72.9177.7-174.7-160.31111.7E419 L420 L421 Q425 R426 F427E419-R423 WeakPolarHBondContact O-CG 3.18Å; E419-R423 PolarHBondContact O-N 3.16Å; E419-R423 IonicContact OE1-CZ 2.79Å; E419-R423 IonicContact OE1-NE 3.39Å; E419-R423 PolarHBondContact OE1-NE 3.2Å; E419-R423 IonicContact OE1-NH2 3.84Å; E419-R423 PolarHBondContact OE1-NH2 3.15Å; L420-R423 PolarHBondContact O-N 2.97Å; L421-R423 VanDerWaalsContact C-N 3.31Å; L421-R423 PolarHBondContact O-N 3.41Å; R423-Q425 VanDerWaalsContact C-N 3.32Å; R423-Q425 PolarHBondContact O-N 2.87Å; R423-R426 PolarHBondContact O-N 2.67Å; R423-F427 VanDerWaalsContact O-CD2 3.29Å; R423-F427 WeakPolarHBondContact O-CD2 3.33Å; R423-F427 PolarHBondContact O-N 3.5Å
424L78.3Confident71.4Confident112 Ų112107 Ų10759%0.58659%0.586SS**Hα-helixtrans-63.8-36.4179.1-74.5166.7000112.7L420 L421 R426 F427 S428L420-L424 WeakPolarHBondContact O-CG 3.48Å; L420-L424 PolarHBondContact O-N 2.9Å; L421-L424 PolarHBondContact O-N 2.99Å; L424-R426 PolarHBondContact O-N 3.13Å; L424-F427 PolarHBondContact O-N 2.76Å; L424-S428 PolarHBondContact O-N 3.13Å; L424-S428 PolarHBondContact O-OG 3.12Å
425Q77.4Confident68.9Low133 Ų133109 Ų10962%0.62161%0.61SS**Hα-helixtrans-65.5-35.7175.2-74.8177.1-4.400112.6L421 R423 F427 S428L421-Q425 WeakPolarHBondContact O-CB 3.38Å; L421-Q425 VanDerWaalsContact O-CG 3.32Å; L421-Q425 WeakPolarHBondContact O-CG 3.13Å; L421-Q425 PolarHBondContact O-N 2.68Å; R423-Q425 VanDerWaalsContact C-N 3.32Å; R423-Q425 PolarHBondContact O-N 2.87Å; Q425-F427 VanDerWaalsContact C-N 3.27Å; Q425-F427 PolarHBondContact O-N 3.27Å; Q425-S428 PolarHBondContact O-N 3.35Å
426R70.6Confident66.5Low174 Ų174118.1 Ų118.166%0.65764%0.644SS**Hα-helixtrans-64.9-27.8176.1-75179.2-177.9167.55.4113.5Q422 R423 L424Q422-R426 WeakPolarHBondContact O-CG 3.14Å; Q422-R426 PolarHBondContact O-N 3.35Å; R423-R426 PolarHBondContact O-N 2.67Å; L424-R426 PolarHBondContact O-N 3.13Å
427F63.8Low65.4Low187 Ų187119.5 Ų119.582%0.8265%0.653SS**Hα-helixtrans-86.9-9.9176.5-76.9-78.3000114R423 L424 Q425R423-F427 VanDerWaalsContact O-CD2 3.29Å; R423-F427 WeakPolarHBondContact O-CD2 3.33Å; R423-F427 PolarHBondContact O-N 3.5Å; L424-F427 PolarHBondContact O-N 2.76Å; Q425-F427 VanDerWaalsContact C-N 3.27Å; Q425-F427 PolarHBondContact O-N 3.27Å
428S58.4Low64.1Low93 Ų93124.6 Ų124.665%0.6568%0.68SS**SBendtrans-101.7-1.4-172.7-56.70000114.4L424 Q425 P430L424-S428 PolarHBondContact O-N 3.13Å; L424-S428 PolarHBondContact O-OG 3.12Å; Q425-S428 PolarHBondContact O-N 3.35Å; S428-P430 WeakPolarHBondContact O-CD 3.49Å
429V52.2Low62.7Low111 Ų111128.3 Ų128.367%0.67369%0.691SS**  trans-89.9116176.3-176.90000109.6Q431V429-Q431 PolarHBondContact O-N 2.56Å
430P49.8Very low61.2Low114 Ų114131.4 Ų131.474%0.7471%0.711SS**  trans-65.8127.3169.2-9.624.7000108.6S428 A432S428-P430 WeakPolarHBondContact O-CD 3.49Å; P430-A432 PolarHBondContact O-N 2.8Å
431Q49.3Very low59.7Low195 Ų195134 Ų13491%0.91173%0.726SS**  trans-58.9100.3168.5-82.2-179.3-16.900109V429 A433V429-Q431 PolarHBondContact O-N 2.56Å; Q431-A433 PolarHBondContact O-N 2.73Å
432A41.1Very low57.9Low91 Ų91136.6 Ų136.675%0.75274%0.741SS**  trans-68.7112.8164.400000107.8P430 T434P430-A432 PolarHBondContact O-N 2.8Å; A432-T434 PolarHBondContact O-N 3.08Å; A432-T434 VanDerWaalsContact O-N 3.15Å
433A48.8Very low56.2Low101 Ų101140.1 Ų140.184%0.83577%0.765SS**  trans-60.2110.7170.600000109.9Q431Q431-A433 PolarHBondContact O-N 2.73Å
434T37.3Very low54.2Low144 Ų144139.9 Ų139.988%0.88378%0.782SS**  trans-91.694.5158.233.40000108.6A432A432-T434 PolarHBondContact O-N 3.08Å; A432-T434 VanDerWaalsContact O-N 3.15Å
435A39.7Very low52.2Low95 Ų95142.3 Ų142.379%0.78580%0.799SS**  trans-80.5119.8149.700000107.8
436Q38.5Very low50Low269 Ų269143.1 Ų143.1100%1.25782%0.815SS**  trans-157.30142.7-106.3179.328.400108.9

Retrieved 436 of 436 residues in 243.1 ms (Link to these results)

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