A0A087YNH0_POEFO Loading...

G patch domain-containing protein 11

AlphaFold DB , UniProt , Accession A0A087YNH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low59Low254 Ų254150.7 Ų150.7100%1.25176%0.755SS**  099.80-64.5-162.117400105.5
2S44.7Very low60.2Low117 Ų117142.7 Ų142.782%0.81873%0.73SS**  trans-123.1120.1175.3520000105.8
3D48.4Very low60.9Low149 Ų149136.5 Ų136.580%0.79770%0.695SS**  trans-45.1141.5-173.7-92.6-46.1000113.8E5D3-E5 HydrophobicContact CB-CG 4.42Å; D3-E5 PolarHBondContact O-N 3.34Å
4E57.9Low61.4Low190 Ų190134.4 Ų134.489%0.88869%0.685SS**  trans-65.471.8161.2-66.5168.316000108.6E6E4-E6 PolarHBondContact O-N 3.12Å
5E59.3Low62.1Low174 Ų174131.5 Ų131.581%0.81368%0.681SS**  trans-6690166.2-71.2-175.4-172.400107.5D3 D7D3-E5 HydrophobicContact CB-CG 4.42Å; D3-E5 PolarHBondContact O-N 3.34Å; E5-D7 PolarHBondContact O-N 3.18Å
6E57.1Low62.8Low141 Ų141133.1 Ų133.166%0.65968%0.682SS**  trans-45.8104.2170.4-84.2-175.8166.100109.5E4 Y8 F13E4-E6 PolarHBondContact O-N 3.12Å; E6-Y8 PolarHBondContact O-N 3.19Å; E6-F13 HydrophobicContact CB-CE2 3.84Å; E6-F13 HydrophobicContact CB-CZ 4Å; E6-F13 VanDerWaalsContact OE2-CZ 3.31Å; E6-F13 WeakPolarHBondContact OE2-CZ 2.9Å
7D72.9Confident63.4Low106 Ų106131.8 Ų131.857%0.56768%0.675SS**  trans-49.3108.5-176.4-179.3-4.9000109.7E5 M9 S10E5-D7 PolarHBondContact O-N 3.18Å; D7-M9 PolarHBondContact O-N 3.1Å; D7-M9 PolarHBondContact OD1-N 3.39Å; D7-M9 VanDerWaalsContact OD1-N 3.15Å; D7-S10 VanDerWaalsContact O-CB 3.27Å; D7-S10 WeakPolarHBondContact O-CB 3.41Å; D7-S10 PolarHBondContact O-N 3.42Å; D7-S10 PolarHBondContact O-OG 3.37Å
8Y66.4Low63.4Low207 Ų207133.4 Ų133.481%0.81268%0.679SS**THydrogen-bonded Turntrans-58-12.4-175.1179.8-103.8000113E6E6-Y8 PolarHBondContact O-N 3.19Å
9M63.8Low63.5Low157 Ų157132.7 Ų132.777%0.77368%0.677SS**THydrogen-bonded Turntrans-110.710.9175.6-54.6-164.896.600114.1D7D7-M9 PolarHBondContact O-N 3.1Å; D7-M9 PolarHBondContact OD1-N 3.39Å; D7-M9 VanDerWaalsContact OD1-N 3.15Å
10S69.8Low63.6Low36 Ų36132.1 Ų132.125%0.25268%0.68SS.*SBendtrans-72.8149.3176.964.90000112.7D7 A12 F13 L14D7-S10 VanDerWaalsContact O-CB 3.27Å; D7-S10 WeakPolarHBondContact O-CB 3.41Å; D7-S10 PolarHBondContact O-N 3.42Å; D7-S10 PolarHBondContact O-OG 3.37Å; S10-A12 PolarHBondContact O-N 3.4Å; S10-F13 PolarHBondContact O-N 2.94Å; S10-L14 PolarHBondContact O-N 3.15Å
11D65.4Low63.5Low127 Ų127132.9 Ų132.968%0.67968%0.678SS**Hα-helixtrans-60.8-20-177.7-160.227.9000113.2F13 S15D11-F13 VanDerWaalsContact C-N 3.31Å; D11-F13 PolarHBondContact O-N 2.98Å; D11-S15 VanDerWaalsContact O-CB 3.31Å; D11-S15 WeakPolarHBondContact O-CB 3.43Å; D11-S15 PolarHBondContact O-N 3.48Å; D11-S15 PolarHBondContact O-OG 2.89Å
12A73.5Confident64.4Low54 Ų54127.5 Ų127.545%0.44666%0.663SS.*Hα-helixtrans-67.2-27.3174.200000113.5S10 S15 K16S10-A12 PolarHBondContact O-N 3.4Å; A12-S15 PolarHBondContact O-OG 3.24Å; A12-K16 WeakPolarHBondContact O-CD 3.48Å; A12-K16 WeakPolarHBondContact O-CE 3.25Å; A12-K16 WeakPolarHBondContact O-CG 3.37Å
13F68.9Low64.9Low63 Ų63124.2 Ų124.228%0.27665%0.647SS.*Hα-helixtrans-85.9-43.4172.6-78.4-91.2000111.6E6 S10 D11 S15 K16 I17E6-F13 HydrophobicContact CB-CE2 3.84Å; E6-F13 HydrophobicContact CB-CZ 4Å; E6-F13 VanDerWaalsContact OE2-CZ 3.31Å; E6-F13 WeakPolarHBondContact OE2-CZ 2.9Å; S10-F13 PolarHBondContact O-N 2.94Å; D11-F13 VanDerWaalsContact C-N 3.31Å; D11-F13 PolarHBondContact O-N 2.98Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 3.04Å; F13-K16 PolarHBondContact O-N 3.07Å; F13-K16 VanDerWaalsContact O-N 3.09Å; F13-I17 WeakPolarHBondContact O-CG1 3.34Å; F13-I17 PolarHBondContact O-N 3.37Å
14L68.1Low65.5Low107 Ų107123.8 Ų123.856%0.5665%0.649SS**Hα-helixtrans-62-35.7-179.4-65.7176.1000112.6S10 K16 I17S10-L14 PolarHBondContact O-N 3.15Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.49Å; L14-I17 PolarHBondContact O-N 3.01Å
15S71.9Confident65.8Low90 Ų90122 Ų12263%0.62965%0.646SS**THydrogen-bonded Turntrans-71.3-23.217655.10000114.4D11 A12 F13D11-S15 VanDerWaalsContact O-CB 3.31Å; D11-S15 WeakPolarHBondContact O-CB 3.43Å; D11-S15 PolarHBondContact O-N 3.48Å; D11-S15 PolarHBondContact O-OG 2.89Å; A12-S15 PolarHBondContact O-OG 3.24Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 3.04Å
16K73Confident66.1Low158 Ų158119.4 Ų119.469%0.68764%0.635SS**THydrogen-bonded Turntrans-85.1-24.2176.8-69.5174.1-171.6170.50112.6A12 F13 L14 Q18A12-K16 WeakPolarHBondContact O-CD 3.48Å; A12-K16 WeakPolarHBondContact O-CE 3.25Å; A12-K16 WeakPolarHBondContact O-CG 3.37Å; F13-K16 PolarHBondContact O-N 3.07Å; F13-K16 VanDerWaalsContact O-N 3.09Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.49Å; K16-Q18 PolarHBondContact O-N 3.33Å
17I73.1Confident67.2Low111 Ų111117.4 Ų117.457%0.56963%0.632SS**SBendtrans-74.3122.3176.8-64.3164.8000108F13 L14 D19F13-I17 WeakPolarHBondContact O-CG1 3.34Å; F13-I17 PolarHBondContact O-N 3.37Å; L14-I17 PolarHBondContact O-N 3.01Å; I17-D19 PolarHBondContact O-N 2.97Å
18Q64.2Low67.6Low161 Ų161121.5 Ų121.575%0.75264%0.64SS**  trans-60.2127.7167.8-75.5179.50.700108K16 V20K16-Q18 PolarHBondContact O-N 3.33Å; Q18-V20 HydrophobicContact CB-CG2 4.01Å; Q18-V20 WeakPolarHBondContact O-CG2 3.45Å; Q18-V20 PolarHBondContact O-N 3.07Å
19D65.3Low68.4Low120 Ų120121.6 Ų121.664%0.64264%0.639SS**  trans-69.782.3178.8-158.5-0.3000109I17 K21I17-D19 PolarHBondContact O-N 2.97Å; D19-K21 VanDerWaalsContact CG-NZ 3.32Å; D19-K21 PolarHBondContact O-N 3.39Å; D19-K21 WeakPolarHBondContact OD1-CD 3.45Å; D19-K21 WeakPolarHBondContact OD1-CE 3.14Å; D19-K21 VanDerWaalsContact OD1-CG 3.26Å; D19-K21 WeakPolarHBondContact OD1-CG 3.46Å; D19-K21 IonicContact OD1-NZ 3.83Å; D19-K21 PolarHBondContact OD1-NZ 3.12Å; D19-K21 IonicContact OD2-NZ 2.61Å; D19-K21 PolarHBondContact OD2-NZ 3.43Å
20V64.3Low69.4Low120 Ų120117.3 Ų117.373%0.72762%0.621SS**  trans-91.237.2177.8-153.20000109.9Q18 P22Q18-V20 HydrophobicContact CB-CG2 4.01Å; Q18-V20 WeakPolarHBondContact O-CG2 3.45Å; Q18-V20 PolarHBondContact O-N 3.07Å; V20-P22 VanDerWaalsContact O-CD 3.3Å; V20-P22 WeakPolarHBondContact O-CD 3.5Å
21K62.3Low70Confident148 Ų148122.7 Ų122.764%0.64364%0.64SS**  trans-55.8125.8171.8-84.3171.7-164.8118.30108.2D19 G23D19-K21 VanDerWaalsContact CG-NZ 3.32Å; D19-K21 PolarHBondContact O-N 3.39Å; D19-K21 WeakPolarHBondContact OD1-CD 3.45Å; D19-K21 WeakPolarHBondContact OD1-CE 3.14Å; D19-K21 VanDerWaalsContact OD1-CG 3.26Å; D19-K21 WeakPolarHBondContact OD1-CG 3.46Å; D19-K21 IonicContact OD1-NZ 3.83Å; D19-K21 PolarHBondContact OD1-NZ 3.12Å; D19-K21 IonicContact OD2-NZ 2.61Å; D19-K21 PolarHBondContact OD2-NZ 3.43Å; K21-G23 PolarHBondContact O-N 3.02Å
22P61.2Low71.1Confident142 Ų142121.6 Ų121.692%0.92263%0.631SS**  trans-70.865.2165-1.718.2000107.9V20V20-P22 VanDerWaalsContact O-CD 3.3Å; V20-P22 WeakPolarHBondContact O-CD 3.5Å
23G55.5Low71.8Confident47 Ų47121.6 Ų121.649%0.48563%0.631SS.*  trans-96.1134.2-179.400000109K21 N25K21-G23 PolarHBondContact O-N 3.02Å; G23-N25 PolarHBondContact O-N 3.18Å; G23-N25 VanDerWaalsContact O-N 3.15Å
24V61.1Low72.7Confident140 Ų140122.2 Ų122.285%0.84864%0.636SS**  trans-34.3121.2169.9-176.40000109.6M26V24-M26 PolarHBondContact O-N 3.23Å
25N64.9Low73.7Confident152 Ų152124.8 Ų124.881%0.81364%0.638SS**  trans-46.3110.9-179.1-64.2-14.3000109.2G23 V27G23-N25 PolarHBondContact O-N 3.18Å; G23-N25 VanDerWaalsContact O-N 3.15Å; N25-V27 PolarHBondContact O-N 3.26Å; N25-V27 VanDerWaalsContact O-N 3.1Å
26M65Low74.7Confident120 Ų120127.8 Ų127.859%0.59164%0.64SS**  trans-50.1124.9176.8-71.4-71.9-89.700107.9V24 R28 V30 I34V24-M26 PolarHBondContact O-N 3.23Å; M26-R28 PolarHBondContact O-N 3.4Å; M26-V30 HydrophobicContact CE-CG1 3.61Å; M26-I34 HydrophobicContact CE-CD1 4.2Å
27V81Confident75.5Confident99 Ų99125 Ų12560%0.663%0.629SS**  trans-49.7130.7-178.3177.90000108N25 R29 V30 K31N25-V27 PolarHBondContact O-N 3.26Å; N25-V27 VanDerWaalsContact O-N 3.1Å; V27-R29 HydrophobicContact CG1-CB 4.47Å; V27-R29 PolarHBondContact O-N 2.96Å; V27-V30 HydrophobicContact CB-CG2 4.22Å; V27-V30 WeakPolarHBondContact O-CA 3.5Å; V27-V30 WeakPolarHBondContact O-CB 3.47Å; V27-V30 PolarHBondContact O-N 2.97Å; V27-K31 PolarHBondContact O-N 3.01Å
28R79.9Confident76.4Confident193 Ų193124.5 Ų124.573%0.72863%0.625SS**Hα-helixtrans-47-37.4-171.2-175.1175.8172.6166.40.7113.4M26 V30 K31 E32M26-R28 PolarHBondContact O-N 3.4Å; R28-V30 PolarHBondContact O-N 3.43Å; R28-K31 PolarHBondContact O-N 3.34Å; R28-E32 HydrophobicContact CG-CG 4.46Å; R28-E32 WeakPolarHBondContact CG-OE1 3.35Å; R28-E32 IonicContact CZ-OE1 3.69Å; R28-E32 IonicContact NE-OE1 3.61Å; R28-E32 PolarHBondContact NE-OE1 2.86Å; R28-E32 IonicContact NH2-OE1 3.82Å; R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 WeakPolarHBondContact O-CG 3.4Å; R28-E32 PolarHBondContact O-N 2.67Å
29R84.4Confident77.8Confident209 Ų209121.6 Ų121.679%0.78961%0.61SS**Hα-helixtrans-60.2-41.3175-65.2-176.3-178.1178.51113.7V27 A33V27-R29 HydrophobicContact CG1-CB 4.47Å; V27-R29 PolarHBondContact O-N 2.96Å; R29-A33 WeakPolarHBondContact O-CB 3.13Å; R29-A33 PolarHBondContact O-N 2.81Å
30V84.7Confident79Confident67 Ų67121.2 Ų121.241%0.40660%0.604SS.*Hα-helixtrans-68.3-44.4178.3-1780000110.2M26 V27 R28 E32 A33 I34M26-V30 HydrophobicContact CE-CG1 3.61Å; V27-V30 HydrophobicContact CB-CG2 4.22Å; V27-V30 WeakPolarHBondContact O-CA 3.5Å; V27-V30 WeakPolarHBondContact O-CB 3.47Å; V27-V30 PolarHBondContact O-N 2.97Å; R28-V30 PolarHBondContact O-N 3.43Å; V30-E32 PolarHBondContact O-N 3.39Å; V30-A33 PolarHBondContact O-N 2.89Å; V30-I34 HydrophobicContact CG1-CD1 4.12Å; V30-I34 WeakPolarHBondContact O-CG1 3.39Å; V30-I34 PolarHBondContact O-N 3.29Å
31K83.3Confident80.3Confident149 Ų149120.8 Ų120.865%0.64859%0.592SS**Hα-helixtrans-62.4-42.6176.5-172.2174.9-176.2172.60112.2V27 R28 R35V27-K31 PolarHBondContact O-N 3.01Å; R28-K31 PolarHBondContact O-N 3.34Å; K31-R35 WeakPolarHBondContact O-CB 3.35Å; K31-R35 PolarHBondContact O-N 2.93Å; K31-R35 VanDerWaalsContact O-N 3.14Å
32E87.2Confident81.7Confident104 Ų104119.1 Ų119.149%0.48659%0.587SS.*Hα-helixtrans-66.3-36.4176-74.3173.4-175.400112R28 V30 K36R28-E32 HydrophobicContact CG-CG 4.46Å; R28-E32 WeakPolarHBondContact CG-OE1 3.35Å; R28-E32 IonicContact CZ-OE1 3.69Å; R28-E32 IonicContact NE-OE1 3.61Å; R28-E32 PolarHBondContact NE-OE1 2.86Å; R28-E32 IonicContact NH2-OE1 3.82Å; R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 WeakPolarHBondContact O-CG 3.4Å; R28-E32 PolarHBondContact O-N 2.67Å; V30-E32 PolarHBondContact O-N 3.39Å; E32-K36 VanDerWaalsContact O-CB 3.28Å; E32-K36 WeakPolarHBondContact O-CB 3.33Å; E32-K36 PolarHBondContact O-N 3.26Å
33A89.5Confident83.1Confident54 Ų54118.4 Ų118.445%0.44657%0.569SS.*Hα-helixtrans-64.7-48.2175.500000112.4R29 V30 R35 K36 E37R29-A33 WeakPolarHBondContact O-CB 3.13Å; R29-A33 PolarHBondContact O-N 2.81Å; V30-A33 PolarHBondContact O-N 2.89Å; A33-R35 PolarHBondContact O-N 3.5Å; A33-K36 WeakPolarHBondContact O-CB 3.32Å; A33-K36 PolarHBondContact O-N 3.27Å; A33-E37 WeakPolarHBondContact O-CB 3.2Å; A33-E37 PolarHBondContact O-N 3.35Å
34I87.7Confident84.8Confident75 Ų75120.8 Ų120.839%0.38557%0.571SS.*Hα-helixtrans-57.8-49.8176.9-66.1165.4000110.2M26 V30 K36 E37 E38M26-I34 HydrophobicContact CE-CD1 4.2Å; V30-I34 HydrophobicContact CG1-CD1 4.12Å; V30-I34 WeakPolarHBondContact O-CG1 3.39Å; V30-I34 PolarHBondContact O-N 3.29Å; I34-K36 VanDerWaalsContact C-N 3.27Å; I34-K36 PolarHBondContact O-N 2.94Å; I34-E37 WeakPolarHBondContact O-CB 3.4Å; I34-E37 PolarHBondContact O-N 3.39Å; I34-E37 VanDerWaalsContact O-N 3.12Å; I34-E38 HydrophobicContact CG2-CG 4.47Å; I34-E38 WeakPolarHBondContact O-CG 3.24Å; I34-E38 PolarHBondContact O-N 2.88Å
35R88.9Confident85.9Confident161 Ų161120.1 Ų120.161%0.60856%0.561SS**Hα-helixtrans-61.9-35.2178.9-169.6-179.2-175.5-169.23.1112.6K31 A33 K39K31-R35 WeakPolarHBondContact O-CB 3.35Å; K31-R35 PolarHBondContact O-N 2.93Å; K31-R35 VanDerWaalsContact O-N 3.14Å; A33-R35 PolarHBondContact O-N 3.5Å; R35-K39 WeakPolarHBondContact O-CB 3.34Å; R35-K39 WeakPolarHBondContact O-CG 3.5Å; R35-K39 PolarHBondContact O-N 3.44Å; R35-K39 VanDerWaalsContact O-N 3.11Å
36K91.9Very high86.9Confident154 Ų154120 Ų12067%0.6756%0.556SS**Hα-helixtrans-69.2-41.1176.2-173.1179178.3-176.50110.8E32 A33 I34 K39 Q40E32-K36 VanDerWaalsContact O-CB 3.28Å; E32-K36 WeakPolarHBondContact O-CB 3.33Å; E32-K36 PolarHBondContact O-N 3.26Å; A33-K36 WeakPolarHBondContact O-CB 3.32Å; A33-K36 PolarHBondContact O-N 3.27Å; I34-K36 VanDerWaalsContact C-N 3.27Å; I34-K36 PolarHBondContact O-N 2.94Å; K36-K39 PolarHBondContact O-N 3.03Å; K36-Q40 WeakPolarHBondContact O-CB 3.45Å; K36-Q40 PolarHBondContact O-N 3.47Å
37E91.1Very high87.9Confident98 Ų98120.4 Ų120.446%0.45856%0.56SS.*Hα-helixtrans-64.4-44.4176.2-165.7-170.8153.100111.6A33 I34 Q40 K41A33-E37 WeakPolarHBondContact O-CB 3.2Å; A33-E37 PolarHBondContact O-N 3.35Å; I34-E37 WeakPolarHBondContact O-CB 3.4Å; I34-E37 PolarHBondContact O-N 3.39Å; I34-E37 VanDerWaalsContact O-N 3.12Å; E37-Q40 CarbonylContact O-C 3.53Å; E37-Q40 WeakPolarHBondContact O-CB 3.28Å; E37-Q40 PolarHBondContact O-N 2.95Å; E37-K41 WeakPolarHBondContact O-CG 3.2Å; E37-K41 PolarHBondContact O-N 3.29Å; E37-K41 WeakPolarHBondContact OE1-CE 3.25Å; E37-K41 IonicContact OE1-NZ 3.71Å; E37-K41 PolarHBondContact OE1-NZ 3.27Å
38E91.6Very high88.3Confident102 Ų102122.6 Ų122.648%0.47756%0.558SS.*Hα-helixtrans-57.7-51.8173.8-73.1172.1165.200111.5I34 Q40 K41 E42I34-E38 HydrophobicContact CG2-CG 4.47Å; I34-E38 WeakPolarHBondContact O-CG 3.24Å; I34-E38 PolarHBondContact O-N 2.88Å; E38-Q40 PolarHBondContact O-N 3.49Å; E38-K41 CarbonylContact O-C 3.5Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.17Å; E38-K41 VanDerWaalsContact O-N 3.09Å; E38-E42 WeakPolarHBondContact O-CG 3.49Å; E38-E42 PolarHBondContact O-N 3.17Å
39K92.5Very high88.6Confident100 Ų100122.2 Ų122.244%0.43556%0.564SS.*Hα-helixtrans-59.5-35175.9-76-179.7178.2-1740112.5R35 K36 K43R35-K39 WeakPolarHBondContact O-CB 3.34Å; R35-K39 WeakPolarHBondContact O-CG 3.5Å; R35-K39 PolarHBondContact O-N 3.44Å; R35-K39 VanDerWaalsContact O-N 3.11Å; K36-K39 PolarHBondContact O-N 3.03Å; K39-K43 WeakPolarHBondContact O-CB 3.43Å; K39-K43 VanDerWaalsContact O-CG 3.24Å; K39-K43 WeakPolarHBondContact O-CG 3.37Å; K39-K43 PolarHBondContact O-N 3.2Å
40Q91.4Very high88.7Confident111 Ų111116.6 Ų116.652%0.51955%0.545SS..Hα-helixtrans-69.9-41.5176.2-173.4172.5-3.900110.9K36 E37 E38 K43 N44K36-Q40 WeakPolarHBondContact O-CB 3.45Å; K36-Q40 PolarHBondContact O-N 3.47Å; E37-Q40 CarbonylContact O-C 3.53Å; E37-Q40 WeakPolarHBondContact O-CB 3.28Å; E37-Q40 PolarHBondContact O-N 2.95Å; E38-Q40 PolarHBondContact O-N 3.49Å; Q40-K43 PolarHBondContact O-N 3.11Å; Q40-N44 VanDerWaalsContact O-CB 3.28Å; Q40-N44 WeakPolarHBondContact O-CB 3.5Å; Q40-N44 PolarHBondContact O-N 2.84Å; Q40-N44 PolarHBondContact O-ND2 2.92Å; Q40-N44 PolarHBondContact O-OD1 3.41Å
41K90.9Very high89Confident112 Ų112116.7 Ų116.749%0.48755%0.549SS..Hα-helixtrans-61.2-47.2173-73.9173.2-177.9167.10111.2E37 E38 K43 N44 I45E37-K41 WeakPolarHBondContact O-CG 3.2Å; E37-K41 PolarHBondContact O-N 3.29Å; E37-K41 WeakPolarHBondContact OE1-CE 3.25Å; E37-K41 IonicContact OE1-NZ 3.71Å; E37-K41 PolarHBondContact OE1-NZ 3.27Å; E38-K41 CarbonylContact O-C 3.5Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.17Å; E38-K41 VanDerWaalsContact O-N 3.09Å; K41-K43 PolarHBondContact O-N 3.26Å; K41-N44 WeakPolarHBondContact O-CB 3.24Å; K41-N44 PolarHBondContact O-N 3.43Å; K41-I45 WeakPolarHBondContact O-CD1 3.35Å; K41-I45 VanDerWaalsContact O-CG1 3.24Å; K41-I45 WeakPolarHBondContact O-CG1 3.28Å; K41-I45 PolarHBondContact O-N 2.87Å
42E91.1Very high89.3Confident112 Ų112118 Ų11852%0.52355%0.551SS.*Hα-helixtrans-58.4-48.9176.2-73.6175.5170.100111.9E38 N44 I45 Q46E38-E42 WeakPolarHBondContact O-CG 3.49Å; E38-E42 PolarHBondContact O-N 3.17Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 3.2Å; E42-I45 PolarHBondContact O-N 3.45Å; E42-Q46 WeakPolarHBondContact O-CG 3.42Å; E42-Q46 PolarHBondContact O-N 3.45Å
43K92.3Very high89.3Confident128 Ų128119.4 Ų119.456%0.55756%0.556SS**Hα-helixtrans-62.7-38.7176.2-74.5177.2179.8-171.50112.1K39 Q40 K41 I45 Q46 N47K39-K43 WeakPolarHBondContact O-CB 3.43Å; K39-K43 VanDerWaalsContact O-CG 3.24Å; K39-K43 WeakPolarHBondContact O-CG 3.37Å; K39-K43 PolarHBondContact O-N 3.2Å; Q40-K43 PolarHBondContact O-N 3.11Å; K41-K43 PolarHBondContact O-N 3.26Å; K43-I45 VanDerWaalsContact C-N 3.32Å; K43-Q46 PolarHBondContact O-N 3Å; K43-N47 VanDerWaalsContact O-CB 3.24Å; K43-N47 WeakPolarHBondContact O-CB 3.33Å; K43-N47 VanDerWaalsContact O-CG 3.32Å; K43-N47 PolarHBondContact O-N 3.29Å; K43-N47 PolarHBondContact O-ND2 2.82Å
44N89.4Confident89.3Confident97 Ų97120.1 Ų120.152%0.51955%0.55SS..Hα-helixtrans-64-39175.4-73-7.5000111.2Q40 K41 E42 R48Q40-N44 VanDerWaalsContact O-CB 3.28Å; Q40-N44 WeakPolarHBondContact O-CB 3.5Å; Q40-N44 PolarHBondContact O-N 2.84Å; Q40-N44 PolarHBondContact O-ND2 2.92Å; Q40-N44 PolarHBondContact O-OD1 3.41Å; K41-N44 WeakPolarHBondContact O-CB 3.24Å; K41-N44 PolarHBondContact O-N 3.43Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 3.2Å; N44-R48 VanDerWaalsContact O-CB 3.24Å; N44-R48 WeakPolarHBondContact O-CB 3.43Å; N44-R48 PolarHBondContact O-N 2.89Å
45I86.1Confident89.4Confident125 Ų125121.3 Ų121.364%0.64155%0.554SS**Hα-helixtrans-67.4-44.4175.9-67.2161.4000110.7K41 E42 K43 R48K41-I45 WeakPolarHBondContact O-CD1 3.35Å; K41-I45 VanDerWaalsContact O-CG1 3.24Å; K41-I45 WeakPolarHBondContact O-CG1 3.28Å; K41-I45 PolarHBondContact O-N 2.87Å; E42-I45 PolarHBondContact O-N 3.45Å; K43-I45 VanDerWaalsContact C-N 3.32Å; I45-R48 WeakPolarHBondContact O-CB 3.24Å; I45-R48 PolarHBondContact O-N 3.18Å
46Q84.3Confident89.4Confident150 Ų150118.6 Ų118.670%0.70155%0.548SS*.Hα-helixtrans-67.1-40.1179.5-71.6177.712.100112.7E42 K43 R48E42-Q46 WeakPolarHBondContact O-CG 3.42Å; E42-Q46 PolarHBondContact O-N 3.45Å; K43-Q46 PolarHBondContact O-N 3Å; Q46-R48 VanDerWaalsContact C-N 3.31Å
47N87.2Confident89.3Confident128 Ų128116.7 Ų116.768%0.68454%0.54SS*.THydrogen-bonded Turntrans-85-4.3179.6-67-26.3000113.2K43 Q49K43-N47 VanDerWaalsContact O-CB 3.24Å; K43-N47 WeakPolarHBondContact O-CB 3.33Å; K43-N47 VanDerWaalsContact O-CG 3.32Å; K43-N47 PolarHBondContact O-N 3.29Å; K43-N47 PolarHBondContact O-ND2 2.82Å; N47-Q49 PolarHBondContact O-N 3.09Å; N47-Q49 VanDerWaalsContact O-N 3.09Å
48R88.5Confident89.2Confident146 Ų146116.6 Ų116.655%0.55154%0.539SS*.  trans-67.5110.3176.8178.3176174.2-100-10.1108.8N44 I45 Q46 K50 E54N44-R48 VanDerWaalsContact O-CB 3.24Å; N44-R48 WeakPolarHBondContact O-CB 3.43Å; N44-R48 PolarHBondContact O-N 2.89Å; I45-R48 WeakPolarHBondContact O-CB 3.24Å; I45-R48 PolarHBondContact O-N 3.18Å; Q46-R48 VanDerWaalsContact C-N 3.31Å; R48-K50 PolarHBondContact O-N 3.49Å; R48-E54 IonicContact CZ-OE1 3.38Å; R48-E54 IonicContact CZ-OE2 2.67Å; R48-E54 IonicContact NH1-OE1 3.52Å; R48-E54 PolarHBondContact NH1-OE1 2.95Å; R48-E54 IonicContact NH1-OE2 2.96Å; R48-E54 PolarHBondContact NH1-OE2 2.86Å; R48-E54 IonicContact NH2-OE1 2.87Å; R48-E54 IonicContact NH2-OE2 2.8Å; R48-E54 PolarHBondContact NH2-OE2 3.01Å
49Q85.8Confident89.2Confident184 Ų184115.1 Ų115.186%0.8654%0.54SS*.PPolyproline II helixtrans-66.6125.5167-67.7-175.8-12.500108.9N47N47-Q49 PolarHBondContact O-N 3.09Å; N47-Q49 VanDerWaalsContact O-N 3.09Å
50K88.1Confident88.9Confident91 Ų91113.9 Ų113.940%0.39653%0.533SS..PPolyproline II helixtrans-61.5138.8175.1-67.5179.5177.2179.70109.2R48 Q55 E58R48-K50 PolarHBondContact O-N 3.49Å; K50-Q55 HydrophobicContact CB-CG 3.83Å; K50-E58 IonicContact NZ-OE1 2.89Å; K50-E58 PolarHBondContact NZ-OE1 2.97Å; K50-E58 IonicContact NZ-OE2 2.93Å; K50-E58 PolarHBondContact NZ-OE2 2.92Å
51S90.3Very high88.7Confident69 Ų69112.6 Ų112.648%0.48353%0.527SS..PPolyproline II helixtrans-68.1153173.6178.70000110.6K53 E54 Q55S51-K53 PolarHBondContact O-N 3.39Å; S51-E54 WeakPolarHBondContact O-CB 3.5Å; S51-E54 PolarHBondContact O-N 3.01Å; S51-Q55 PolarHBondContact O-N 3.35Å
52Y88.6Confident88.7Confident177 Ų177109.7 Ų109.769%0.69452%0.524SS*.Hα-helixtrans-50.8-42.2174.4-178.1-94.2000112.2E54 Q55 E56Y52-E54 VanDerWaalsContact C-N 3.3Å; Y52-E54 PolarHBondContact O-N 3.01Å; Y52-Q55 PolarHBondContact O-N 3.43Å; Y52-E56 WeakPolarHBondContact O-CB 3.43Å; Y52-E56 PolarHBondContact O-N 2.9Å
53K88.3Confident88.4Confident134 Ų134107.4 Ų107.458%0.58352%0.524SS*.Hα-helixtrans-63.8-34178-170.5-180-179.2-178.60113.1S51 K57S51-K53 PolarHBondContact O-N 3.39Å; K53-K57 WeakPolarHBondContact O-CB 3.24Å; K53-K57 PolarHBondContact O-N 3.38Å; K53-K57 VanDerWaalsContact O-N 3.14Å
54E88.6Confident88Confident68 Ų68105.4 Ų105.432%0.31852%0.519SS..Hα-helixtrans-74.5-42.7179.5-168.8173176.700110.4R48 S51 Y52 K57 E58R48-E54 IonicContact CZ-OE1 3.38Å; R48-E54 IonicContact CZ-OE2 2.67Å; R48-E54 IonicContact NH1-OE1 3.52Å; R48-E54 PolarHBondContact NH1-OE1 2.95Å; R48-E54 IonicContact NH1-OE2 2.96Å; R48-E54 PolarHBondContact NH1-OE2 2.86Å; R48-E54 IonicContact NH2-OE1 2.87Å; R48-E54 IonicContact NH2-OE2 2.8Å; R48-E54 PolarHBondContact NH2-OE2 3.01Å; S51-E54 WeakPolarHBondContact O-CB 3.5Å; S51-E54 PolarHBondContact O-N 3.01Å; Y52-E54 VanDerWaalsContact C-N 3.3Å; Y52-E54 PolarHBondContact O-N 3.01Å; E54-K57 PolarHBondContact O-N 2.88Å; E54-E58 WeakPolarHBondContact O-CB 3.47Å; E54-E58 PolarHBondContact O-N 3.2Å
55Q90.5Very high87.8Confident101 Ų101108.7 Ų108.747%0.47253%0.531SS..Hα-helixtrans-62.8-43.8173.6-66.4177.1-7.100112K50 S51 Y52 K57 E58 S59K50-Q55 HydrophobicContact CB-CG 3.83Å; S51-Q55 PolarHBondContact O-N 3.35Å; Y52-Q55 PolarHBondContact O-N 3.43Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 3.26Å; Q55-E58 PolarHBondContact O-N 3.47Å; Q55-S59 WeakPolarHBondContact O-CB 3.39Å; Q55-S59 PolarHBondContact O-N 3.36Å; Q55-S59 PolarHBondContact O-OG 3.14Å
56E89.1Confident87.7Confident103 Ų103106.4 Ų106.448%0.48153%0.526SS..Hα-helixtrans-60.3-45.3176.5-172.7-175168.100110.8Y52 S59 R60Y52-E56 WeakPolarHBondContact O-CB 3.43Å; Y52-E56 PolarHBondContact O-N 2.9Å; E56-S59 PolarHBondContact O-N 3.49Å; E56-S59 PolarHBondContact O-OG 2.93Å; E56-R60 WeakPolarHBondContact O-CB 3.42Å; E56-R60 PolarHBondContact O-N 3.38Å
57K88.8Confident87.6Confident115 Ų115104.6 Ų104.650%0.553%0.53SS..Hα-helixtrans-61.1-47.7177.5-176.4179.4170.5-174.90112K53 E54 Q55 R60 E61K53-K57 WeakPolarHBondContact O-CB 3.24Å; K53-K57 PolarHBondContact O-N 3.38Å; K53-K57 VanDerWaalsContact O-N 3.14Å; E54-K57 PolarHBondContact O-N 2.88Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 3.26Å; K57-R60 PolarHBondContact O-N 2.95Å; K57-E61 WeakPolarHBondContact CE-OE1 3.39Å; K57-E61 WeakPolarHBondContact CG-OE1 3.34Å; K57-E61 IonicContact NZ-OE1 3.52Å; K57-E61 WeakPolarHBondContact O-CG 3.19Å; K57-E61 PolarHBondContact O-N 3.36Å
58E90.9Very high87.5Confident95 Ų95103.8 Ų103.844%0.44453%0.525SS..Hα-helixtrans-62.7-44.9178.7-175.7176.5-165.500111.5K50 E54 Q55 R60 E61 A62K50-E58 IonicContact NZ-OE1 2.89Å; K50-E58 PolarHBondContact NZ-OE1 2.97Å; K50-E58 IonicContact NZ-OE2 2.93Å; K50-E58 PolarHBondContact NZ-OE2 2.92Å; E54-E58 WeakPolarHBondContact O-CB 3.47Å; E54-E58 PolarHBondContact O-N 3.2Å; Q55-E58 PolarHBondContact O-N 3.47Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 2.98Å; E58-E61 PolarHBondContact O-N 3.37Å; E58-A62 WeakPolarHBondContact O-CB 3.42Å; E58-A62 PolarHBondContact O-N 3.32Å
59S90.6Very high87.3Confident71 Ų71100 Ų10050%0.49752%0.521SS..Hα-helixtrans-62.3-38.5177.5720000112.2Q55 E56 A63Q55-S59 WeakPolarHBondContact O-CB 3.39Å; Q55-S59 PolarHBondContact O-N 3.36Å; Q55-S59 PolarHBondContact O-OG 3.14Å; E56-S59 PolarHBondContact O-N 3.49Å; E56-S59 PolarHBondContact O-OG 2.93Å; S59-A63 WeakPolarHBondContact O-CB 3.36Å; S59-A63 PolarHBondContact O-N 2.75Å
60R86.9Confident87.3Confident74 Ų7496.7 Ų96.728%0.27951%0.509SS..Hα-helixtrans-66.6-44.6174.7-178176.364.6123.42.1112.1E56 K57 E58 A63 L64 I104E56-R60 WeakPolarHBondContact O-CB 3.42Å; E56-R60 PolarHBondContact O-N 3.38Å; K57-R60 PolarHBondContact O-N 2.95Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 2.98Å; R60-A63 PolarHBondContact O-N 3.21Å; R60-L64 HydrophobicContact CG-CD1 4.15Å; R60-L64 WeakPolarHBondContact O-CB 3.34Å; R60-L64 WeakPolarHBondContact O-CG 3.34Å; R60-L64 PolarHBondContact O-N 2.96Å; R60-I104 VanDerWaalsContact CZ-CD1 3.48Å; R60-I104 VanDerWaalsContact NH1-CG1 3.25Å
61E87.1Confident87.3Confident85 Ų85101.1 Ų101.140%0.39753%0.531SS..Hα-helixtrans-64.3-42.8177.6-75171.9-174.900111.2K57 E58 A63 L64 Q65K57-E61 WeakPolarHBondContact CE-OE1 3.39Å; K57-E61 WeakPolarHBondContact CG-OE1 3.34Å; K57-E61 IonicContact NZ-OE1 3.52Å; K57-E61 WeakPolarHBondContact O-CG 3.19Å; K57-E61 PolarHBondContact O-N 3.36Å; E58-E61 PolarHBondContact O-N 3.37Å; E61-A63 PolarHBondContact O-N 3.27Å; E61-L64 PolarHBondContact O-N 3.24Å; E61-Q65 WeakPolarHBondContact O-CB 3.34Å; E61-Q65 VanDerWaalsContact O-CG 3.32Å; E61-Q65 WeakPolarHBondContact O-CG 3.47Å; E61-Q65 PolarHBondContact O-N 2.89Å
62A90Very high87.4Confident51 Ų51101.4 Ų101.442%0.42153%0.527SS..Hα-helixtrans-60.7-43.5174.100000112E58 L64 Q65 S66E58-A62 WeakPolarHBondContact O-CB 3.42Å; E58-A62 PolarHBondContact O-N 3.32Å; A62-L64 PolarHBondContact O-N 2.97Å; A62-Q65 PolarHBondContact O-N 3.14Å; A62-S66 WeakPolarHBondContact O-CB 3.44Å; A62-S66 PolarHBondContact O-N 3.46Å; A62-S66 PolarHBondContact O-OG 3.01Å
63A85.9Confident87.6Confident64 Ų64101.8 Ų101.853%0.52953%0.532SS..Hα-helixtrans-66.2-35.6177.200000113S59 R60 E61 S66S59-A63 WeakPolarHBondContact O-CB 3.36Å; S59-A63 PolarHBondContact O-N 2.75Å; R60-A63 PolarHBondContact O-N 3.21Å; E61-A63 PolarHBondContact O-N 3.27Å; A63-S66 PolarHBondContact O-OG 3.47Å
64L83.3Confident87.7Confident85 Ų8597.1 Ų97.145%0.44552%0.522SS..Hα-helixtrans-70.8-32.5174.6-76167.5000112.4R60 E61 A62R60-L64 HydrophobicContact CG-CD1 4.15Å; R60-L64 WeakPolarHBondContact O-CB 3.34Å; R60-L64 WeakPolarHBondContact O-CG 3.34Å; R60-L64 PolarHBondContact O-N 2.96Å; E61-L64 PolarHBondContact O-N 3.24Å; A62-L64 PolarHBondContact O-N 2.97Å
65Q84.1Confident87.8Confident167 Ų16795.2 Ų95.278%0.7851%0.513SS*.Hα-helixtrans-78.9-32.1177.1-74.4176.7-1300112.7E61 A62E61-Q65 WeakPolarHBondContact O-CB 3.34Å; E61-Q65 VanDerWaalsContact O-CG 3.32Å; E61-Q65 WeakPolarHBondContact O-CG 3.47Å; E61-Q65 PolarHBondContact O-N 2.89Å; A62-Q65 PolarHBondContact O-N 3.14Å
66S85.6Confident87.9Confident76 Ų7692.1 Ų92.153%0.53151%0.505SS..SBendtrans-77.6123.5-18066.10000111.5A62 A63A62-S66 WeakPolarHBondContact O-CB 3.44Å; A62-S66 PolarHBondContact O-N 3.46Å; A62-S66 PolarHBondContact O-OG 3.01Å; A63-S66 PolarHBondContact O-OG 3.47Å
67S81.1Confident88Confident113 Ų11392.1 Ų92.179%0.7951%0.507SS*.PPolyproline II helixtrans-73.2152.7169.460.60000111.2S69S67-S69 PolarHBondContact O-N 2.87Å
68I84.6Confident88.1Confident110 Ų11090.1 Ų90.156%0.56450%0.502SS*.PPolyproline II helixtrans-66.8129.3177.4-61174.8000109N72 F75I68-N72 HydrophobicContact CG2-CB 3.48Å; I68-N72 VanDerWaalsContact CG2-CB 3.48Å; I68-N72 VanDerWaalsContact CG2-ND2 3.34Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.34Å; I68-F75 HydrophobicContact CG2-CB 4.15Å
69S86.1Confident88.1Confident67 Ų6791 Ų9147%0.46951%0.506SS..PPolyproline II helixtrans-73.6155.1-179.274.40000113.1S67 Q71 N72S67-S69 PolarHBondContact O-N 2.87Å; S69-Q71 PolarHBondContact O-N 2.88Å; S69-Q71 VanDerWaalsContact O-N 3.12Å; S69-N72 VanDerWaalsContact O-CB 3.25Å; S69-N72 WeakPolarHBondContact O-CB 3.4Å; S69-N72 PolarHBondContact O-N 3.12Å
70N85.1Confident88.3Confident115 Ų11596.1 Ų96.162%0.61552%0.519SS*.THydrogen-bonded Turntrans-61.8-19.3176.9-64.5-15.4000113.9N72 F75N70-N72 PolarHBondContact O-N 3.09Å; N70-F75 HydrophobicContact CB-CD1 4.32Å; N70-F75 HydrophobicContact CB-CE1 4.39Å; N70-F75 WeakPolarHBondContact OD1-CD1 3.42Å; N70-F75 WeakPolarHBondContact OD1-CE1 3.39Å; N70-F75 WeakPolarHBondContact OD1-CZ 3.45Å
71Q88.9Confident88.5Confident183 Ų18399.9 Ų99.986%0.85554%0.542SS*.THydrogen-bonded Turntrans-74-18.3175.9-66.3177.6-4.900112S69 K73S69-Q71 PolarHBondContact O-N 2.88Å; S69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-K73 PolarHBondContact O-N 2.8Å
72N91.4Very high88.6Confident75 Ų7598.4 Ų98.440%0.40155%0.549SS..SBendtrans-67.9124.9176.3-170.2-32.7000109.9I68 S69 N70 G74 F75 A76I68-N72 HydrophobicContact CG2-CB 3.48Å; I68-N72 VanDerWaalsContact CG2-CB 3.48Å; I68-N72 VanDerWaalsContact CG2-ND2 3.34Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.34Å; S69-N72 VanDerWaalsContact O-CB 3.25Å; S69-N72 WeakPolarHBondContact O-CB 3.4Å; S69-N72 PolarHBondContact O-N 3.12Å; N70-N72 PolarHBondContact O-N 3.09Å; N72-G74 PolarHBondContact O-N 2.72Å; N72-G74 VanDerWaalsContact O-N 3.15Å; N72-G74 PolarHBondContact OD1-N 2.76Å; N72-F75 HydrophobicContact CB-CB 4.36Å; N72-F75 PolarHBondContact O-N 3.35Å; N72-A76 PolarHBondContact O-N 3.33Å
73K93.3Very high88.6Confident186 Ų18698.6 Ų98.681%0.80954%0.54SS*.Hα-helixtrans-53.8-35.4178.6-64.4179.3-179.5177.50112.6Q71 A76 L77Q71-K73 PolarHBondContact O-N 2.8Å; K73-A76 PolarHBondContact O-N 3.44Å; K73-L77 WeakPolarHBondContact O-CB 3.42Å; K73-L77 PolarHBondContact O-N 3.09Å
74G90.3Very high88.7Confident36 Ų36102.5 Ų102.537%0.37155%0.545SS..Hα-helixtrans-66-43.7178.200000112.6N72 L77 L78N72-G74 PolarHBondContact O-N 2.72Å; N72-G74 VanDerWaalsContact O-N 3.15Å; N72-G74 PolarHBondContact OD1-N 2.76Å; G74-L77 PolarHBondContact O-N 2.74Å; G74-L78 PolarHBondContact O-N 3.28Å
75F90.4Very high88.8Confident27 Ų27102.2 Ų102.212%0.11855%0.554CS.*Hα-helixtrans-65.4-43175.7-175.2-86.1000111.3I68 N70 N72 L77 L78 Q79 Y83 A85I68-F75 HydrophobicContact CG2-CB 4.15Å; N70-F75 HydrophobicContact CB-CD1 4.32Å; N70-F75 HydrophobicContact CB-CE1 4.39Å; N70-F75 WeakPolarHBondContact OD1-CD1 3.42Å; N70-F75 WeakPolarHBondContact OD1-CE1 3.39Å; N70-F75 WeakPolarHBondContact OD1-CZ 3.45Å; N72-F75 HydrophobicContact CB-CB 4.36Å; N72-F75 PolarHBondContact O-N 3.35Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.49Å; F75-L78 WeakPolarHBondContact O-CB 3.38Å; F75-L78 PolarHBondContact O-N 3.2Å; F75-Q79 WeakPolarHBondContact O-CB 3.44Å; F75-Q79 PolarHBondContact O-N 3.49Å; F75-Y83 HydrophobicContact CE2-CD1 4.39Å; F75-Y83 AromaticContact CE2-CE1 3.98Å; F75-Y83 HydrophobicContact CE2-CE1 3.98Å; F75-A85 HydrophobicContact CE2-CB 4.46Å; F75-A85 HydrophobicContact CZ-CB 4.04Å
76A91.9Very high88.8Confident36 Ų3696.9 Ų96.930%0.29854%0.544SS..Hα-helixtrans-62-35.4176.300000112.8N72 K73 K80N72-A76 PolarHBondContact O-N 3.33Å; K73-A76 PolarHBondContact O-N 3.44Å; A76-K80 WeakPolarHBondContact O-CG 3.48Å; A76-K80 PolarHBondContact O-N 3.4Å
77L92.4Very high88.9Confident103 Ų10397.5 Ų97.554%0.53954%0.539SS..Hα-helixtrans-68.5-46.1174.2-176.266000111.6K73 G74 F75 Q79 K80 M81K73-L77 WeakPolarHBondContact O-CB 3.42Å; K73-L77 PolarHBondContact O-N 3.09Å; G74-L77 PolarHBondContact O-N 2.74Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.49Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.44Å; L77-K80 WeakPolarHBondContact O-CB 3.41Å; L77-K80 PolarHBondContact O-N 2.81Å; L77-M81 HydrophobicContact CD1-CE 4.37Å; L77-M81 WeakPolarHBondContact O-CG 3.47Å; L77-M81 PolarHBondContact O-N 3.33Å; L77-M81 VanDerWaalsContact O-N 3.12Å
78L90.5Very high89.3Confident74 Ų7492.5 Ų92.539%0.38751%0.505SS..Hα-helixtrans-55.7-47174.5-96.3148000111.2G74 F75 K80 M81 G82 Y83 L89G74-L78 PolarHBondContact O-N 3.28Å; F75-L78 WeakPolarHBondContact O-CB 3.38Å; F75-L78 PolarHBondContact O-N 3.2Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.15Å; L78-M81 CarbonylContact O-C 3.55Å; L78-M81 WeakPolarHBondContact O-CA 3.38Å; L78-M81 WeakPolarHBondContact O-CB 3.47Å; L78-M81 PolarHBondContact O-N 2.76Å; L78-G82 PolarHBondContact O-N 3.39Å; L78-Y83 HydrophobicContact CB-CD1 4.1Å; L78-Y83 HydrophobicContact CB-CG 4.2Å; L78-Y83 HydrophobicContact CD2-CD1 4.38Å; L78-Y83 HydrophobicContact CD2-CD2 4.18Å; L78-Y83 HydrophobicContact CD2-CG 3.89Å; L78-Y83 WeakPolarHBondContact O-CB 3.31Å; L78-Y83 PolarHBondContact O-N 3.01Å; L78-L89 HydrophobicContact CD2-CD1 4.06Å
79Q91.1Very high89.5Confident114 Ų11492.5 Ų92.553%0.53351%0.506SS..Hα-helixtrans-60.1-39.6178.5-170.5178.7-500112.2F75 L77 M81 G82 Y83F75-Q79 WeakPolarHBondContact O-CB 3.44Å; F75-Q79 PolarHBondContact O-N 3.49Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.44Å; Q79-M81 VanDerWaalsContact C-N 3.26Å; Q79-M81 PolarHBondContact O-N 2.99Å; Q79-G82 PolarHBondContact O-N 3.06Å; Q79-G82 VanDerWaalsContact O-N 3.1Å; Q79-Y83 WeakPolarHBondContact CA-O 3.43Å
80K94.1Very high89.6Confident177 Ų17792.1 Ų92.177%0.7751%0.512SS*.Hα-helixtrans-65.4-28174.4-74.6177.6-179.8-176.10113.3A76 L77 L78 G82A76-K80 WeakPolarHBondContact O-CG 3.48Å; A76-K80 PolarHBondContact O-N 3.4Å; L77-K80 WeakPolarHBondContact O-CB 3.41Å; L77-K80 PolarHBondContact O-N 2.81Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.15Å; K80-G82 PolarHBondContact O-N 3.1Å
81M91.4Very high89.7Confident153 Ų15397 Ų9775%0.75453%0.528SS*.THydrogen-bonded Turntrans-83.17174.7-63.4-63.3178.800113L77 L78 Q79L77-M81 HydrophobicContact CD1-CE 4.37Å; L77-M81 WeakPolarHBondContact O-CG 3.47Å; L77-M81 PolarHBondContact O-N 3.33Å; L77-M81 VanDerWaalsContact O-N 3.12Å; L78-M81 CarbonylContact O-C 3.55Å; L78-M81 WeakPolarHBondContact O-CA 3.38Å; L78-M81 WeakPolarHBondContact O-CB 3.47Å; L78-M81 PolarHBondContact O-N 2.76Å; Q79-M81 VanDerWaalsContact C-N 3.26Å; Q79-M81 PolarHBondContact O-N 2.99Å
82G89.1Confident89.6Confident54 Ų5496.5 Ų96.556%0.55753%0.526SS*.THydrogen-bonded Turntrans93.47.3176.700000114.8L78 Q79 K80L78-G82 PolarHBondContact O-N 3.39Å; Q79-G82 PolarHBondContact O-N 3.06Å; Q79-G82 VanDerWaalsContact O-N 3.1Å; K80-G82 PolarHBondContact O-N 3.1Å
83Y89.8Confident89.3Confident55 Ų5593.9 Ų93.922%0.21652%0.516CS..  trans-68.3134.6172.9-179.3-104.6000111.4F75 L78 Q79 Q87 L89F75-Y83 HydrophobicContact CE2-CD1 4.39Å; F75-Y83 AromaticContact CE2-CE1 3.98Å; F75-Y83 HydrophobicContact CE2-CE1 3.98Å; L78-Y83 HydrophobicContact CB-CD1 4.1Å; L78-Y83 HydrophobicContact CB-CG 4.2Å; L78-Y83 HydrophobicContact CD2-CD1 4.38Å; L78-Y83 HydrophobicContact CD2-CD2 4.18Å; L78-Y83 HydrophobicContact CD2-CG 3.89Å; L78-Y83 WeakPolarHBondContact O-CB 3.31Å; L78-Y83 PolarHBondContact O-N 3.01Å; Q79-Y83 WeakPolarHBondContact CA-O 3.43Å; Y83-Q87 WeakPolarHBondContact CE2-O 2.82Å; Y83-Q87 PolarHBondContact OH-O 2.69Å; Y83-L89 HydrophobicContact CD2-CD1 3.57Å; Y83-L89 HydrophobicContact CE2-CD1 3.97Å
84K88Confident89.1Confident146 Ų14689.4 Ų89.464%0.63551%0.514SS*.  trans-110.8137172.5-64.9177.1-178.5175.60109.3G86 Q87K84-G86 PolarHBondContact O-N 2.89Å; K84-Q87 HydrophobicContact CB-CB 4.31Å; K84-Q87 WeakPolarHBondContact O-CB 3.48Å; K84-Q87 PolarHBondContact O-N 2.93Å
85A86.4Confident89.1Confident79 Ų7989.1 Ų89.165%0.65351%0.511SS*.THydrogen-bonded Turntrans-54.5126.7179.100000110.7F75 Q87F75-A85 HydrophobicContact CE2-CB 4.46Å; F75-A85 HydrophobicContact CZ-CB 4.04Å; A85-Q87 VanDerWaalsContact C-N 3.35Å
86G83.9Confident88.9Confident55 Ų5596.4 Ų96.457%0.56754%0.538SS*.THydrogen-bonded Turntrans84.9-0.1-179.500000115.2K84K84-G86 PolarHBondContact O-N 2.89Å
87Q87.8Confident88.7Confident89 Ų8998.2 Ų98.242%0.41655%0.545SS..PPolyproline II helixtrans-88.7142.4172.9-165.2176-4.100110.8Y83 K84 A85Y83-Q87 WeakPolarHBondContact CE2-O 2.82Å; Y83-Q87 PolarHBondContact OH-O 2.69Å; K84-Q87 HydrophobicContact CB-CB 4.31Å; K84-Q87 WeakPolarHBondContact O-CB 3.48Å; K84-Q87 PolarHBondContact O-N 2.93Å; A85-Q87 VanDerWaalsContact C-N 3.35Å
88G89.3Confident88.3Confident8 Ų898.9 Ų98.98%0.08255%0.549CS..PPolyproline II helixtrans-68.1149.2169.800000111.6G93 G95G88-G93 WeakPolarHBondContact CA-O 3.3Å; G88-G93 VanDerWaalsContact O-CA 3.25Å; G88-G93 WeakPolarHBondContact O-CA 3.31Å; G88-G95 WeakPolarHBondContact CA-O 3.33Å
89L88.3Confident88Confident110 Ų11099.8 Ų99.858%0.57656%0.56SS**SBendtrans-78.7151.5176.4-137.372.7000111.1L78 Y83 G95L78-L89 HydrophobicContact CD2-CD1 4.06Å; Y83-L89 HydrophobicContact CD2-CD1 3.57Å; Y83-L89 HydrophobicContact CE2-CD1 3.97Å; L89-G95 WeakPolarHBondContact O-CA 3.1Å; L89-G95 PolarHBondContact O-N 2.85Å
90G88.6Confident87.9Confident59 Ų59100.5 Ų100.561%0.60857%0.566SS**SBendtrans120.6170.3176.200000113.9E92 G93G90-E92 VanDerWaalsContact C-N 3.25Å; G90-E92 PolarHBondContact O-N 2.94Å; G90-G93 PolarHBondContact O-N 3.15Å
91K86.8Confident87.4Confident217 Ų21796.9 Ų96.994%0.94356%0.561SS**THydrogen-bonded Turntrans-55.9-37.4-173.2-172.5-178.3177.7-171.60113.5
92E87.2Confident87Confident174 Ų17495.3 Ų95.381%0.81355%0.554SS**THydrogen-bonded Turntrans-109.76.2178.4-63.9176.8-176.200112.2G90 A94G90-E92 VanDerWaalsContact C-N 3.25Å; G90-E92 PolarHBondContact O-N 2.94Å; E92-A94 VanDerWaalsContact C-N 3.28Å; E92-A94 PolarHBondContact O-N 2.77Å
93G85.2Confident86.6Confident19 Ų1998 Ų9820%0.19657%0.565CS.*SBendtrans69.819.9-174.100000115G88 G90 G95G88-G93 WeakPolarHBondContact CA-O 3.3Å; G88-G93 VanDerWaalsContact O-CA 3.25Å; G88-G93 WeakPolarHBondContact O-CA 3.31Å; G90-G93 PolarHBondContact O-N 3.15Å; G93-G95 PolarHBondContact O-N 2.94Å
94A88.5Confident86.3Confident92 Ų92100.1 Ų100.176%0.7658%0.579SS**  trans-73.2-4.6-177.300000115.1E92E92-A94 VanDerWaalsContact C-N 3.28Å; E92-A94 PolarHBondContact O-N 2.77Å
95G89.7Confident86Confident31 Ų3199.3 Ų99.332%0.3258%0.575SS.*SBendtrans-66.8153177.700000112.7G88 L89 G93 V97G88-G95 WeakPolarHBondContact CA-O 3.33Å; L89-G95 WeakPolarHBondContact O-CA 3.1Å; L89-G95 PolarHBondContact O-N 2.85Å; G93-G95 PolarHBondContact O-N 2.94Å; G95-V97 PolarHBondContact O-N 2.9Å
96R87.2Confident85.7Confident180 Ų18098.4 Ų98.468%0.67957%0.568SS**  trans-63.6130177.9-155.4177.9-161.51755110.4D98R96-D98 WeakPolarHBondContact CD-O 3.33Å; R96-D98 WeakPolarHBondContact CG-O 3.26Å
97V87.4Confident85.5Confident74 Ų74101.5 Ų101.545%0.44857%0.571SS.*SBendtrans-77.6-39.6177.8-177.90000110.8G95G95-V97 PolarHBondContact O-N 2.9Å
98D84.4Confident85.4Confident116 Ų116109.7 Ų109.762%0.6260%0.599SS**SBendtrans-91.9142.7-177.3-57.8-39.4000112.3R96R96-D98 WeakPolarHBondContact CD-O 3.33Å; R96-D98 WeakPolarHBondContact CG-O 3.26Å
99P84.8Confident85.1Confident94 Ų94111.2 Ų111.261%0.6161%0.614SS**PPolyproline II helixtrans-57.5152172.6-23.133.3000112.8P101P99-P101 WeakPolarHBondContact O-CD 3.27Å
100I87.4Confident84.9Confident128 Ų128108.7 Ų108.766%0.65662%0.615SS**PPolyproline II helixtrans-68127.1175.9-60.1173.5000109.2L102I100-L102 PolarHBondContact O-N 2.86Å
101P83.3Confident84.5Confident102 Ų102113.2 Ų113.266%0.66262%0.623SS**PPolyproline II helixtrans-60.5131.6177.2-23.233.1000112.2P99P99-P101 WeakPolarHBondContact O-CD 3.27Å
102L83.1Confident84.2Confident119 Ų119105.2 Ų105.262%0.62360%0.603SS**  trans-92.8112176.7-90.4123.1000111.5I100I100-L102 PolarHBondContact O-N 2.86Å
103S82.1Confident84.1Confident111 Ų111100.6 Ų100.678%0.77658%0.583SS**  trans-91.2103.2168.4-177.20000110.3
104I82.6Confident84Confident100 Ų100106.8 Ų106.851%0.51361%0.607SS.*  trans-89.7115174.3-62.8-178.6000108.5R60 A106R60-I104 VanDerWaalsContact CZ-CD1 3.48Å; R60-I104 VanDerWaalsContact NH1-CG1 3.25Å; I104-A106 PolarHBondContact O-N 3.43Å
105K81.9Confident83.9Confident128 Ų128108.4 Ų108.456%0.55760%0.599SS**  trans-75.8103.6168.7-69.8-174.1173.8177.10108.8I111K105-I111 VanDerWaalsContact NZ-CG1 3.34Å
106A80.9Confident83.7Confident61 Ų61112.3 Ų112.350%0.50461%0.61SS.*  trans-82-5.9175.800000113I104I104-A106 PolarHBondContact O-N 3.43Å
107D79.7Confident83.8Confident119 Ų119109.8 Ų109.864%0.63660%0.604SS**SBendtrans-100.5151.3-174.5-62.4-23.8000111.8G109D107-G109 PolarHBondContact O-N 3.2Å
108R84.8Confident83.9Confident262 Ų262111.8 Ų111.899%0.98961%0.607SS**  trans-86.111.4172.2-61.1-177.8179.9-178.3-0.4112.9
109G82.7Confident84.2Confident40 Ų40113.1 Ų113.141%0.41260%0.603SS.*PPolyproline II helixtrans-76.5151-178.400000112.5D107D107-G109 PolarHBondContact O-N 3.2Å
110G85.1Confident84.6Confident57 Ų57114.3 Ų114.359%0.58860%0.599SS**PPolyproline II helixtrans-61.4150.1171.800000112.1G112 L113G110-G112 PolarHBondContact O-N 3.25Å; G110-L113 WeakPolarHBondContact O-CB 3.37Å; G110-L113 PolarHBondContact O-N 3.46Å
111I79.6Confident84.9Confident153 Ų153110.6 Ų110.679%0.78559%0.587SS**THydrogen-bonded Turntrans-61.7122.4173.2-51.8-170.3000108.3K105K105-I111 VanDerWaalsContact NZ-CG1 3.34Å
112G81.2Confident85.3Confident50 Ų50110.9 Ų110.952%0.51558%0.58SS.*THydrogen-bonded Turntrans103.3-6-179.400000115.8G110 E115 M116G110-G112 PolarHBondContact O-N 3.25Å; G112-E115 PolarHBondContact O-N 3.29Å; G112-M116 PolarHBondContact O-N 3.39Å
113L85.4Confident85.9Confident76 Ų76110.5 Ų110.540%0.39858%0.575SS.*Hα-helixtrans-66.8-37.1179-175.766.1000113.1G110 M116 K117G110-L113 WeakPolarHBondContact O-CB 3.37Å; G110-L113 PolarHBondContact O-N 3.46Å; L113-M116 PolarHBondContact O-N 2.89Å; L113-K117 HydrophobicContact CG-CD 4.35Å; L113-K117 WeakPolarHBondContact O-CG 3.1Å; L113-K117 PolarHBondContact O-N 3.41Å
114E83Confident86.5Confident149 Ų149110.7 Ų110.770%0.69656%0.563SS**Hα-helixtrans-61.3-43.8176.6-89.3-179.9142.300112.2M116 K117 K118E114-M116 VanDerWaalsContact C-N 3.35Å; E114-M116 PolarHBondContact O-N 3.46Å; E114-K117 PolarHBondContact O-N 2.84Å; E114-K118 WeakPolarHBondContact O-CB 3.35Å; E114-K118 PolarHBondContact O-N 3.26Å
115E85.6Confident87Confident127 Ų127110.5 Ų110.559%0.59356%0.563SS**Hα-helixtrans-63-43.1179.4-163.465-148.800111.1G112 K117 K118 R119G112-E115 PolarHBondContact O-N 3.29Å; E115-K117 VanDerWaalsContact C-N 3.35Å; E115-K117 PolarHBondContact O-N 2.95Å; E115-K118 PolarHBondContact O-N 3.35Å; E115-R119 WeakPolarHBondContact O-CB 3.41Å; E115-R119 PolarHBondContact O-N 2.98Å
116M86.2Confident87.6Confident112 Ų112109.6 Ų109.655%0.55256%0.561SS**Hα-helixtrans-63.5-41.1177.1-165.4-137.1-161.100111.9G112 L113 E114 K120G112-M116 PolarHBondContact O-N 3.39Å; L113-M116 PolarHBondContact O-N 2.89Å; E114-M116 VanDerWaalsContact C-N 3.35Å; E114-M116 PolarHBondContact O-N 3.46Å; M116-K120 WeakPolarHBondContact O-CB 3.5Å; M116-K120 PolarHBondContact O-N 3.44Å
117K88.1Confident88.4Confident128 Ų128111.3 Ų111.356%0.55756%0.558SS**Hα-helixtrans-65.1-43.4175.9-75.2176.5177.2-179.50111.6L113 E114 E115 K120 A121L113-K117 HydrophobicContact CG-CD 4.35Å; L113-K117 WeakPolarHBondContact O-CG 3.1Å; L113-K117 PolarHBondContact O-N 3.41Å; E114-K117 PolarHBondContact O-N 2.84Å; E115-K117 VanDerWaalsContact C-N 3.35Å; E115-K117 PolarHBondContact O-N 2.95Å; K117-K120 PolarHBondContact O-N 2.95Å; K117-A121 WeakPolarHBondContact O-CB 3.35Å; K117-A121 PolarHBondContact O-N 3.19Å
118K89.9Confident89.1Confident116 Ų116113 Ų11350%0.50456%0.556SS.*Hα-helixtrans-61.2-49.9177.7-175.8-177.7172.2-168.10110.7E114 E115 K120 A121 E122E114-K118 WeakPolarHBondContact O-CB 3.35Å; E114-K118 PolarHBondContact O-N 3.26Å; E115-K118 PolarHBondContact O-N 3.35Å; K118-K120 PolarHBondContact O-N 3.45Å; K118-A121 PolarHBondContact O-N 2.9Å; K118-E122 WeakPolarHBondContact CE-OE1 3.36Å; K118-E122 WeakPolarHBondContact O-CG 3.34Å; K118-E122 PolarHBondContact O-N 3.42Å
119R90.6Very high89.6Confident144 Ų144108.8 Ų108.854%0.54354%0.541SS..Hα-helixtrans-58.2-46.5176.8-169.6-177.568.6-167.9-1.2112E115 A121 E122 E123E115-R119 WeakPolarHBondContact O-CB 3.41Å; E115-R119 PolarHBondContact O-N 2.98Å; R119-A121 VanDerWaalsContact C-N 3.34Å; R119-A121 PolarHBondContact O-N 3.27Å; R119-E122 PolarHBondContact O-N 2.99Å; R119-E123 WeakPolarHBondContact CG-OE1 3.35Å; R119-E123 IonicContact NE-OE1 3.44Å; R119-E123 WeakPolarHBondContact O-CG 3.34Å; R119-E123 PolarHBondContact O-N 2.92Å
120K94.1Very high90.2Very high119 Ų119111.9 Ų111.952%0.51754%0.544SS..Hα-helixtrans-61.5-42.4177.3-174176.5178.8-177.70112M116 K117 K118 E123 E124M116-K120 WeakPolarHBondContact O-CB 3.5Å; M116-K120 PolarHBondContact O-N 3.44Å; K117-K120 PolarHBondContact O-N 2.95Å; K118-K120 PolarHBondContact O-N 3.45Å; K120-E123 PolarHBondContact O-N 2.9Å; K120-E124 WeakPolarHBondContact CE-OE1 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 3.32Å
121A92.9Very high90.7Very high50 Ų50115.4 Ų115.441%0.41354%0.543SS..Hα-helixtrans-63.5-41.4177.200000111.7K117 K118 R119 E124 L125K117-A121 WeakPolarHBondContact O-CB 3.35Å; K117-A121 PolarHBondContact O-N 3.19Å; K118-A121 PolarHBondContact O-N 2.9Å; R119-A121 VanDerWaalsContact C-N 3.34Å; R119-A121 PolarHBondContact O-N 3.27Å; A121-E124 PolarHBondContact O-N 3.42Å; A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 3.04Å
122E92.6Very high91.5Very high108 Ų108110.4 Ų110.451%0.50552%0.52SS..Hα-helixtrans-63.8-43.6175.9-73.1171.9-178.700112.2K118 R119 L125 H126K118-E122 WeakPolarHBondContact CE-OE1 3.36Å; K118-E122 WeakPolarHBondContact O-CG 3.34Å; K118-E122 PolarHBondContact O-N 3.42Å; R119-E122 PolarHBondContact O-N 2.99Å; E122-L125 PolarHBondContact O-N 3.46Å; E122-H126 WeakPolarHBondContact O-CB 3.4Å; E122-H126 PolarHBondContact O-N 3.38Å
123E94.7Very high92.2Very high111 Ų111116.1 Ų116.152%0.51953%0.526SS..Hα-helixtrans-60.4-45.2175-73.6168.6-168.300111.8R119 K120 H126 H127R119-E123 WeakPolarHBondContact CG-OE1 3.35Å; R119-E123 IonicContact NE-OE1 3.44Å; R119-E123 WeakPolarHBondContact O-CG 3.34Å; R119-E123 PolarHBondContact O-N 2.92Å; K120-E123 PolarHBondContact O-N 2.9Å; E123-H126 PolarHBondContact O-N 2.98Å; E123-H127 WeakPolarHBondContact O-CB 3.37Å; E123-H127 PolarHBondContact O-N 2.91Å
124E95.3Very high92.7Very high114 Ų114115.2 Ų115.253%0.53353%0.529SS..Hα-helixtrans-62.7-43.3176.7-76176.2-174.300111.8K120 A121 H127 Y128K120-E124 WeakPolarHBondContact CE-OE1 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 3.32Å; A121-E124 PolarHBondContact O-N 3.42Å; E124-H127 PolarHBondContact O-N 2.96Å; E124-Y128 WeakPolarHBondContact O-CB 3.18Å; E124-Y128 PolarHBondContact O-N 3.47Å
125L93.5Very high93.3Very high96 Ų96114.7 Ų114.750%0.50352%0.524SS..Hα-helixtrans-64.1-42.3177.3-123.4150.8000111.7A121 E122 Y128 R129A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 3.04Å; E122-L125 PolarHBondContact O-N 3.46Å; L125-Y128 PolarHBondContact O-N 3.43Å; L125-R129 WeakPolarHBondContact O-CG 3.39Å; L125-R129 PolarHBondContact O-N 3.32Å
126H94.5Very high93.7Very high110 Ų110114.3 Ų114.351%0.50952%0.523SS..Hα-helixtrans-62.8-47.2176.4176.9-106.1000111.4E122 E123 Y128 R129 Q130E122-H126 WeakPolarHBondContact O-CB 3.4Å; E122-H126 PolarHBondContact O-N 3.38Å; E123-H126 PolarHBondContact O-N 2.98Å; H126-Y128 VanDerWaalsContact C-N 3.34Å; H126-Y128 PolarHBondContact O-N 3.47Å; H126-R129 PolarHBondContact O-N 3Å; H126-Q130 PolarHBondContact CE1-NE2 3.39Å; H126-Q130 PolarHBondContact NE2-NE2 2.98Å; H126-Q130 WeakPolarHBondContact O-CG 3.4Å; H126-Q130 PolarHBondContact O-N 3.31Å
127H96.8Very high94Very high96 Ų96113.4 Ų113.444%0.44452%0.517SS..Hα-helixtrans-64-38.6177.3-179.3-116.8000112.4E123 E124 Q130 K131E123-H127 WeakPolarHBondContact O-CB 3.37Å; E123-H127 PolarHBondContact O-N 2.91Å; E124-H127 PolarHBondContact O-N 2.96Å; H127-Q130 PolarHBondContact O-N 3.27Å; H127-K131 WeakPolarHBondContact CE1-CE 3.5Å; H127-K131 PolarHBondContact CE1-NZ 2.93Å; H127-K131 WeakPolarHBondContact NE2-CE 3.36Å; H127-K131 WeakPolarHBondContact O-CG 3.36Å; H127-K131 PolarHBondContact O-N 3.24Å
128Y94.7Very high94.3Very high154 Ų154112.7 Ų112.760%0.60452%0.519SS*.Hα-helixtrans-60.3-47.8172.8178.5-99.7000111.6E124 L125 H126 Q130 K131 V132E124-Y128 WeakPolarHBondContact O-CB 3.18Å; E124-Y128 PolarHBondContact O-N 3.47Å; L125-Y128 PolarHBondContact O-N 3.43Å; H126-Y128 VanDerWaalsContact C-N 3.34Å; H126-Y128 PolarHBondContact O-N 3.47Å; Y128-Q130 VanDerWaalsContact C-N 3.34Å; Y128-Q130 PolarHBondContact O-N 3.49Å; Y128-K131 PolarHBondContact O-N 2.97Å; Y128-V132 HydrophobicContact CD1-CG2 4.31Å; Y128-V132 HydrophobicContact CE1-CG2 3.89Å; Y128-V132 HydrophobicContact CE2-CG2 4.22Å; Y128-V132 WeakPolarHBondContact O-CG2 3.45Å; Y128-V132 PolarHBondContact O-N 3.24Å
129R94.8Very high94.5Very high175 Ų175111.6 Ų111.666%0.6652%0.516SS*.Hα-helixtrans-59.1-43.6176.3-75175.1176.2-171.2-1.4112.1L125 H126 V132 R133L125-R129 WeakPolarHBondContact O-CG 3.39Å; L125-R129 PolarHBondContact O-N 3.32Å; H126-R129 PolarHBondContact O-N 3Å; R129-V132 PolarHBondContact O-N 3.45Å; R129-R133 PolarHBondContact O-N 2.99Å
130Q95.6Very high94.6Very high105 Ų105107.5 Ų107.549%0.49151%0.513SS..Hα-helixtrans-61.4-45.2176.4-74-171.2-13.200112.2H126 H127 Y128 V132 R133 A134H126-Q130 PolarHBondContact CE1-NE2 3.39Å; H126-Q130 PolarHBondContact NE2-NE2 2.98Å; H126-Q130 WeakPolarHBondContact O-CG 3.4Å; H126-Q130 PolarHBondContact O-N 3.31Å; H127-Q130 PolarHBondContact O-N 3.27Å; Y128-Q130 VanDerWaalsContact C-N 3.34Å; Y128-Q130 PolarHBondContact O-N 3.49Å; Q130-V132 PolarHBondContact O-N 2.88Å; Q130-R133 PolarHBondContact O-N 3.41Å; Q130-A134 WeakPolarHBondContact O-CB 3.3Å; Q130-A134 PolarHBondContact O-N 3.4Å
131K96.6Very high94.6Very high130 Ų130107.8 Ų107.857%0.56551%0.514SS*.Hα-helixtrans-60.6-43.6176.7-79.8-179.3166.9179.30112.6H127 Y128 A134 K135H127-K131 WeakPolarHBondContact CE1-CE 3.5Å; H127-K131 PolarHBondContact CE1-NZ 2.93Å; H127-K131 WeakPolarHBondContact NE2-CE 3.36Å; H127-K131 WeakPolarHBondContact O-CG 3.36Å; H127-K131 PolarHBondContact O-N 3.24Å; Y128-K131 PolarHBondContact O-N 2.97Å; K131-A134 PolarHBondContact O-N 3.42Å; K131-K135 WeakPolarHBondContact O-CB 3.36Å; K131-K135 PolarHBondContact O-N 3.38Å
132V96Very high94.7Very high49 Ų49108.9 Ų108.930%0.29752%0.519SS..Hα-helixtrans-62.5-45.8177.2172.10000110.7Y128 R129 Q130 A134 K135 Q136Y128-V132 HydrophobicContact CD1-CG2 4.31Å; Y128-V132 HydrophobicContact CE1-CG2 3.89Å; Y128-V132 HydrophobicContact CE2-CG2 4.22Å; Y128-V132 WeakPolarHBondContact O-CG2 3.45Å; Y128-V132 PolarHBondContact O-N 3.24Å; R129-V132 PolarHBondContact O-N 3.45Å; Q130-V132 PolarHBondContact O-N 2.88Å; V132-A134 PolarHBondContact O-N 3.41Å; V132-K135 PolarHBondContact O-N 2.94Å; V132-Q136 WeakPolarHBondContact O-CG 3.43Å; V132-Q136 PolarHBondContact O-N 3.26Å
133R95.6Very high94.7Very high170 Ų170109.3 Ų109.364%0.64252%0.524SS*.Hα-helixtrans-61.9-44.3177.2-171178.5-176.1-178.82.4112.1R129 Q130 K135 Q136 Q137R129-R133 PolarHBondContact O-N 2.99Å; Q130-R133 PolarHBondContact O-N 3.41Å; R133-K135 VanDerWaalsContact C-N 3.32Å; R133-K135 PolarHBondContact O-N 3.33Å; R133-Q136 PolarHBondContact O-N 3.01Å; R133-Q137 WeakPolarHBondContact O-CB 3.41Å; R133-Q137 WeakPolarHBondContact O-CG 3.11Å; R133-Q137 PolarHBondContact O-N 2.92Å
134A95.9Very high94.6Very high56 Ų56110.6 Ų110.646%0.46353%0.53SS..Hα-helixtrans-61.8-41.417700000111.6Q130 K131 V132 Q137 N138Q130-A134 WeakPolarHBondContact O-CB 3.3Å; Q130-A134 PolarHBondContact O-N 3.4Å; K131-A134 PolarHBondContact O-N 3.42Å; V132-A134 PolarHBondContact O-N 3.41Å; A134-Q137 PolarHBondContact O-N 3.44Å; A134-N138 WeakPolarHBondContact O-CB 3.47Å; A134-N138 PolarHBondContact O-N 2.89Å
135K95.5Very high94.5Very high138 Ų138109.2 Ų109.260%0.653%0.526SS*.Hα-helixtrans-62.1-48.9176.2-168.4-175.5-176.5-155.40111.7K131 V132 R133 Q137 N138 E139K131-K135 WeakPolarHBondContact O-CB 3.36Å; K131-K135 PolarHBondContact O-N 3.38Å; V132-K135 PolarHBondContact O-N 2.94Å; R133-K135 VanDerWaalsContact C-N 3.32Å; R133-K135 PolarHBondContact O-N 3.33Å; K135-Q137 VanDerWaalsContact C-N 3.33Å; K135-Q137 PolarHBondContact O-N 3.08Å; K135-N138 PolarHBondContact O-N 3.35Å; K135-E139 WeakPolarHBondContact CE-OE1 3.32Å; K135-E139 IonicContact NZ-OE1 2.95Å; K135-E139 WeakPolarHBondContact O-CG 3.44Å; K135-E139 PolarHBondContact O-N 3.19Å
136Q93.7Very high94.5Very high119 Ų119111.2 Ų111.256%0.55653%0.531SS*.Hα-helixtrans-60-42.3177.5-71.6175.910.300112.1V132 R133 E139 A140V132-Q136 WeakPolarHBondContact O-CG 3.43Å; V132-Q136 PolarHBondContact O-N 3.26Å; R133-Q136 PolarHBondContact O-N 3.01Å; Q136-E139 PolarHBondContact O-N 3.42Å; Q136-A140 WeakPolarHBondContact O-CB 3.37Å; Q136-A140 PolarHBondContact O-N 3.37Å
137Q93.8Very high94.4Very high94 Ų94115.4 Ų115.444%0.43954%0.542SS..Hα-helixtrans-64.5-40.6176.1-74.9-179.7-4.300112.2R133 A134 K135 A140 K141R133-Q137 WeakPolarHBondContact O-CB 3.41Å; R133-Q137 WeakPolarHBondContact O-CG 3.11Å; R133-Q137 PolarHBondContact O-N 2.92Å; A134-Q137 PolarHBondContact O-N 3.44Å; K135-Q137 VanDerWaalsContact C-N 3.33Å; K135-Q137 PolarHBondContact O-N 3.08Å; Q137-A140 PolarHBondContact O-N 3.41Å; Q137-K141 WeakPolarHBondContact O-CB 3.46Å; Q137-K141 VanDerWaalsContact O-CG 3.29Å; Q137-K141 WeakPolarHBondContact O-CG 3.13Å; Q137-K141 PolarHBondContact O-N 2.98Å
138N94.4Very high94.2Very high112 Ų112113.4 Ų113.460%0.59954%0.539SS*.Hα-helixtrans-67-41.1177.8-167.558000111.8A134 K135 K141 S142A134-N138 WeakPolarHBondContact O-CB 3.47Å; A134-N138 PolarHBondContact O-N 2.89Å; K135-N138 PolarHBondContact O-N 3.35Å; N138-K141 PolarHBondContact O-N 2.91Å; N138-S142 VanDerWaalsContact O-CB 3.32Å; N138-S142 WeakPolarHBondContact O-CB 3.29Å; N138-S142 PolarHBondContact O-N 3.49Å
139E93.7Very high94.2Very high94 Ų94114.4 Ų114.444%0.43954%0.542SS..Hα-helixtrans-61.9-44.9173.7-73.1171.1-179.500111.2K135 Q136 S142 L143K135-E139 WeakPolarHBondContact CE-OE1 3.32Å; K135-E139 IonicContact NZ-OE1 2.95Å; K135-E139 WeakPolarHBondContact O-CG 3.44Å; K135-E139 PolarHBondContact O-N 3.19Å; Q136-E139 PolarHBondContact O-N 3.42Å; E139-S142 PolarHBondContact O-N 2.94Å; E139-L143 WeakPolarHBondContact O-CG 3.38Å; E139-L143 PolarHBondContact O-N 3.21Å
140A92.5Very high94.1Very high57 Ų57109 Ų10947%0.47153%0.528SS..Hα-helixtrans-61.9-47.317700000112.2Q136 Q137 S142 L143 E144Q136-A140 WeakPolarHBondContact O-CB 3.37Å; Q136-A140 PolarHBondContact O-N 3.37Å; Q137-A140 PolarHBondContact O-N 3.41Å; A140-S142 PolarHBondContact O-N 3.23Å; A140-L143 PolarHBondContact O-N 3.48Å; A140-E144 PolarHBondContact O-N 3.41Å
141K94Very high93.9Very high126 Ų126112 Ų11255%0.54854%0.535SS..Hα-helixtrans-60-45.1175.8-74.4177.1179.7-172.40111.7Q137 N138 L143 E144 D145Q137-K141 WeakPolarHBondContact O-CB 3.46Å; Q137-K141 VanDerWaalsContact O-CG 3.29Å; Q137-K141 WeakPolarHBondContact O-CG 3.13Å; Q137-K141 PolarHBondContact O-N 2.98Å; N138-K141 PolarHBondContact O-N 2.91Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 2.93Å; K141-E144 PolarHBondContact O-N 2.89Å; K141-D145 WeakPolarHBondContact O-CB 3.4Å; K141-D145 VanDerWaalsContact O-CG 3.27Å; K141-D145 PolarHBondContact O-N 3.49Å
142S93.8Very high93.7Very high72 Ų72108.9 Ų108.950%0.50353%0.527SS..Hα-helixtrans-61.4-37.3178-178.60000112.7N138 E139 A140 F146N138-S142 VanDerWaalsContact O-CB 3.32Å; N138-S142 WeakPolarHBondContact O-CB 3.29Å; N138-S142 PolarHBondContact O-N 3.49Å; E139-S142 PolarHBondContact O-N 2.94Å; A140-S142 PolarHBondContact O-N 3.23Å; S142-F146 PolarHBondContact O-N 3.17Å; S142-F146 VanDerWaalsContact O-N 3.12Å
143L93.3Very high93.4Very high118 Ų118112.6 Ų112.662%0.61854%0.541SS*.Hα-helixtrans-70.6-39.8176.3-73.4171.7000111.8E139 A140 K141 F146 R147E139-L143 WeakPolarHBondContact O-CG 3.38Å; E139-L143 PolarHBondContact O-N 3.21Å; A140-L143 PolarHBondContact O-N 3.48Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 2.93Å; L143-F146 PolarHBondContact O-N 3.43Å; L143-R147 VanDerWaalsContact O-CG 3.3Å; L143-R147 WeakPolarHBondContact O-CG 3.42Å; L143-R147 PolarHBondContact O-N 2.92Å; L143-R147 VanDerWaalsContact O-N 3.08Å
144E93.4Very high93.3Very high138 Ų138113 Ų11365%0.64554%0.543SS*.Hα-helixtrans-63.9-44.9175.9-171.8168.1-163.900111.5A140 K141 F146 R147 S148A140-E144 PolarHBondContact O-N 3.41Å; K141-E144 PolarHBondContact O-N 2.89Å; E144-F146 VanDerWaalsContact C-N 3.31Å; E144-F146 PolarHBondContact O-N 3.45Å; E144-R147 PolarHBondContact O-N 3.14Å; E144-R147 VanDerWaalsContact O-N 3.14Å; E144-S148 PolarHBondContact O-N 3.43Å; E144-S148 PolarHBondContact O-OG 2.87Å
145D93.6Very high93Very high85 Ų85114.3 Ų114.346%0.45554%0.539SS..Hα-helixtrans-61.2-37.4175.4-72.1-18.6000112.5K141 S148 R149K141-D145 WeakPolarHBondContact O-CB 3.4Å; K141-D145 VanDerWaalsContact O-CG 3.27Å; K141-D145 PolarHBondContact O-N 3.49Å; D145-S148 WeakPolarHBondContact CA-OG 3.4Å; D145-S148 PolarHBondContact O-OG 2.99Å; D145-R149 VanDerWaalsContact O-CG 3.24Å; D145-R149 WeakPolarHBondContact O-CG 3.4Å; D145-R149 PolarHBondContact O-N 3.49Å; D145-R149 VanDerWaalsContact O-N 3.14Å
146F91.8Very high92.7Very high138 Ų138113.7 Ų113.761%0.60554%0.538SS*.Hα-helixtrans-66.4-42.9174.6179.2-101.4000111.5S142 L143 E144 R149 V150S142-F146 PolarHBondContact O-N 3.17Å; S142-F146 VanDerWaalsContact O-N 3.12Å; L143-F146 PolarHBondContact O-N 3.43Å; E144-F146 VanDerWaalsContact C-N 3.31Å; E144-F146 PolarHBondContact O-N 3.45Å; F146-R149 PolarHBondContact O-N 3.06Å; F146-V150 HydrophobicContact CD1-CG2 4.35Å; F146-V150 HydrophobicContact CD2-CG2 4.49Å; F146-V150 HydrophobicContact CE1-CG2 3.91Å; F146-V150 HydrophobicContact CE2-CG2 4.06Å; F146-V150 HydrophobicContact CZ-CG2 3.75Å; F146-V150 WeakPolarHBondContact O-CG2 3.44Å; F146-V150 PolarHBondContact O-N 3.14Å
147R94Very high92.7Very high197 Ų197117.5 Ų117.574%0.74355%0.548SS*.Hα-helixtrans-67.1-38.8179.8-69174.391.4148.66.9112.1L143 E144 R151L143-R147 VanDerWaalsContact O-CG 3.3Å; L143-R147 WeakPolarHBondContact O-CG 3.42Å; L143-R147 PolarHBondContact O-N 2.92Å; L143-R147 VanDerWaalsContact O-N 3.08Å; E144-R147 PolarHBondContact O-N 3.14Å; E144-R147 VanDerWaalsContact O-N 3.14Å; R147-R151 WeakPolarHBondContact O-CB 3.38Å; R147-R151 PolarHBondContact O-N 2.9Å
148S92.7Very high92.6Very high55 Ų55118.1 Ų118.139%0.38555%0.549SS..Hα-helixtrans-63.8-46.4175.9640000110.8E144 D145 V150 R151 T152E144-S148 PolarHBondContact O-N 3.43Å; E144-S148 PolarHBondContact O-OG 2.87Å; D145-S148 WeakPolarHBondContact CA-OG 3.4Å; D145-S148 PolarHBondContact O-OG 2.99Å; S148-V150 PolarHBondContact O-N 2.92Å; S148-R151 WeakPolarHBondContact O-CB 3.41Å; S148-R151 PolarHBondContact O-N 2.86Å; S148-R151 VanDerWaalsContact O-N 3.16Å; S148-T152 WeakPolarHBondContact O-CG2 3.35Å; S148-T152 PolarHBondContact O-N 3.12Å; S148-T152 PolarHBondContact O-OG1 3.39Å
149R93.2Very high92.6Very high174 Ų174115.1 Ų115.166%0.65753%0.532SS*.Hα-helixtrans-58.4-47.1176.6-72.8174.1-171.1-171.13.2113.4D145 F146 R151 T152 E153D145-R149 VanDerWaalsContact O-CG 3.24Å; D145-R149 WeakPolarHBondContact O-CG 3.4Å; D145-R149 PolarHBondContact O-N 3.49Å; D145-R149 VanDerWaalsContact O-N 3.14Å; F146-R149 PolarHBondContact O-N 3.06Å; R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 3.16Å; R149-T152 WeakPolarHBondContact CA-OG1 3.17Å; R149-T152 PolarHBondContact O-N 3.06Å; R149-T152 PolarHBondContact O-OG1 3.28Å; R149-E153 VanDerWaalsContact O-CB 3.3Å; R149-E153 WeakPolarHBondContact O-CB 3.49Å; R149-E153 PolarHBondContact O-N 2.89Å
150V93.4Very high92.6Very high61 Ų61114.8 Ų114.837%0.3753%0.531SS..Hα-helixtrans-64.8-34.6178.9173.50000111.2F146 S148 R154F146-V150 HydrophobicContact CD1-CG2 4.35Å; F146-V150 HydrophobicContact CD2-CG2 4.49Å; F146-V150 HydrophobicContact CE1-CG2 3.91Å; F146-V150 HydrophobicContact CE2-CG2 4.06Å; F146-V150 HydrophobicContact CZ-CG2 3.75Å; F146-V150 WeakPolarHBondContact O-CG2 3.44Å; F146-V150 PolarHBondContact O-N 3.14Å; S148-V150 PolarHBondContact O-N 2.92Å; V150-R154 WeakPolarHBondContact O-CB 3.43Å; V150-R154 PolarHBondContact O-N 3.42Å; V150-R154 VanDerWaalsContact O-N 3.17Å
151R92.2Very high92.6Very high168 Ų168113.5 Ų113.563%0.63452%0.523SS*.Hα-helixtrans-66.8-50.3175.2-179.5-179174.3-177.9-0.1111.2R147 S148 R149 E153 R154 E155R147-R151 WeakPolarHBondContact O-CB 3.38Å; R147-R151 PolarHBondContact O-N 2.9Å; S148-R151 WeakPolarHBondContact O-CB 3.41Å; S148-R151 PolarHBondContact O-N 2.86Å; S148-R151 VanDerWaalsContact O-N 3.16Å; R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 3.16Å; R151-E153 PolarHBondContact O-N 3.38Å; R151-R154 PolarHBondContact O-N 2.82Å; R151-E155 WeakPolarHBondContact CG-OE1 3.45Å; R151-E155 IonicContact CZ-OE1 3.46Å; R151-E155 IonicContact NE-OE1 2.96Å; R151-E155 PolarHBondContact NE-OE1 3.3Å; R151-E155 IonicContact NH2-OE1 3.32Å; R151-E155 PolarHBondContact NH2-OE1 3.4Å; R151-E155 WeakPolarHBondContact O-CG 3.3Å; R151-E155 PolarHBondContact O-N 3.43Å
152T90.4Very high92.6Very high65 Ų65108.1 Ų108.140%0.39950%0.501SS..Hα-helixtrans-62.7-43.3-179.655.60000111.2S148 R149 R154 E155 E156S148-T152 WeakPolarHBondContact O-CG2 3.35Å; S148-T152 PolarHBondContact O-N 3.12Å; S148-T152 PolarHBondContact O-OG1 3.39Å; R149-T152 WeakPolarHBondContact CA-OG1 3.17Å; R149-T152 PolarHBondContact O-N 3.06Å; R149-T152 PolarHBondContact O-OG1 3.28Å; T152-R154 VanDerWaalsContact C-N 3.32Å; T152-R154 PolarHBondContact O-N 3.23Å; T152-E155 PolarHBondContact O-N 3.19Å; T152-E155 VanDerWaalsContact O-N 3.14Å; T152-E156 WeakPolarHBondContact O-CB 3.44Å; T152-E156 WeakPolarHBondContact O-CG 3.35Å; T152-E156 PolarHBondContact O-N 3.38Å
153E91.4Very high92.6Very high128 Ų128105.4 Ų105.460%0.59848%0.48SS*.Hα-helixtrans-61.2-39.3177.5-173.6-175.1173.100112R149 R151 R157R149-E153 VanDerWaalsContact O-CB 3.3Å; R149-E153 WeakPolarHBondContact O-CB 3.49Å; R149-E153 PolarHBondContact O-N 2.89Å; R151-E153 PolarHBondContact O-N 3.38Å; E153-R157 WeakPolarHBondContact O-CB 3.24Å; E153-R157 PolarHBondContact O-N 2.8Å
154R92Very high92.7Very high179 Ų179105.7 Ų105.768%0.67547%0.473SS*.Hα-helixtrans-67.2-41174.9-180-179.4-79.4179.3-5.5111.9V150 R151 T152 R157 K158V150-R154 WeakPolarHBondContact O-CB 3.43Å; V150-R154 PolarHBondContact O-N 3.42Å; V150-R154 VanDerWaalsContact O-N 3.17Å; R151-R154 PolarHBondContact O-N 2.82Å; T152-R154 VanDerWaalsContact C-N 3.32Å; T152-R154 PolarHBondContact O-N 3.23Å; R154-R157 PolarHBondContact O-N 3.04Å; R154-K158 PolarHBondContact O-N 2.67Å
155E90.1Very high92.7Very high83 Ų83105.8 Ų105.839%0.38847%0.467SS..Hα-helixtrans-64.2-45.7177-73.5170.1-177.400110.6R151 T152 R157 K158 I159R151-E155 WeakPolarHBondContact CG-OE1 3.45Å; R151-E155 IonicContact CZ-OE1 3.46Å; R151-E155 IonicContact NE-OE1 2.96Å; R151-E155 PolarHBondContact NE-OE1 3.3Å; R151-E155 IonicContact NH2-OE1 3.32Å; R151-E155 PolarHBondContact NH2-OE1 3.4Å; R151-E155 WeakPolarHBondContact O-CG 3.3Å; R151-E155 PolarHBondContact O-N 3.43Å; T152-E155 PolarHBondContact O-N 3.19Å; T152-E155 VanDerWaalsContact O-N 3.14Å; E155-R157 PolarHBondContact O-N 3.45Å; E155-K158 WeakPolarHBondContact O-CB 3.44Å; E155-K158 PolarHBondContact O-N 3.02Å; E155-I159 WeakPolarHBondContact O-CG1 3.34Å; E155-I159 PolarHBondContact O-N 3.04Å
156E90.3Very high92.7Very high124 Ų124101.7 Ų101.758%0.57945%0.446SS*.Hα-helixtrans-59.8-43.9174.7-73.7172.7-179.500112T152 K158 I159 E160T152-E156 WeakPolarHBondContact O-CB 3.44Å; T152-E156 WeakPolarHBondContact O-CG 3.35Å; T152-E156 PolarHBondContact O-N 3.38Å; E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 PolarHBondContact O-N 3.36Å; E156-I159 WeakPolarHBondContact O-CB 3.36Å; E156-I159 PolarHBondContact O-N 3.17Å; E156-E160 PolarHBondContact O-N 2.83Å
157R92.9Very high92.9Very high199 Ų19996.5 Ų96.575%0.75142%0.423SS*.Hα-helixtrans-65.1-35.2177-172.6174.6179.1147.82.2112.8E153 R154 E155 G161E153-R157 WeakPolarHBondContact O-CB 3.24Å; E153-R157 PolarHBondContact O-N 2.8Å; R154-R157 PolarHBondContact O-N 3.04Å; E155-R157 PolarHBondContact O-N 3.45Å; R157-G161 PolarHBondContact O-N 3.26Å
158K92.4Very high92.9Very high107 Ų10794.4 Ų94.447%0.46542%0.415SS..Hα-helixtrans-63.1-49171.6-80.4-172.7173.4-166.80110R154 E155 E156 E160 G161 D162 E263R154-K158 PolarHBondContact O-N 2.67Å; E155-K158 WeakPolarHBondContact O-CB 3.44Å; E155-K158 PolarHBondContact O-N 3.02Å; E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 PolarHBondContact O-N 3.36Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E160 PolarHBondContact O-N 3.28Å; K158-G161 PolarHBondContact O-N 3.03Å; K158-G161 VanDerWaalsContact O-N 3.17Å; K158-D162 PolarHBondContact O-N 2.68Å; K158-E263 IonicContact NZ-OE1 2.76Å; K158-E263 PolarHBondContact NZ-OE1 3.12Å
159I93.9Very high92.9Very high49 Ų4992.7 Ų92.725%0.25140%0.403SS..Hα-helixtrans-57.8-45.2178.6-68.9166.3000111E155 E156 D162 L163 P219 L223E155-I159 WeakPolarHBondContact O-CG1 3.34Å; E155-I159 PolarHBondContact O-N 3.04Å; E156-I159 WeakPolarHBondContact O-CB 3.36Å; E156-I159 PolarHBondContact O-N 3.17Å; I159-D162 PolarHBondContact O-N 3.49Å; I159-L163 VanDerWaalsContact O-CB 3.31Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 PolarHBondContact O-N 3.44Å; I159-P219 HydrophobicContact CG2-CB 3.93Å; I159-L223 HydrophobicContact CG2-CB 4.39Å; I159-L223 HydrophobicContact CG2-CD2 4.11Å
160E92.8Very high93Very high87 Ų8784.4 Ų84.441%0.40737%0.372SS..Hα-helixtrans-65.3-40.2178.3-166-170.4163.600111.8E156 K158 L163 R164E156-E160 PolarHBondContact O-N 2.83Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E160 PolarHBondContact O-N 3.28Å; E160-L163 PolarHBondContact O-N 3.43Å; E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 3.2Å; E160-R164 IonicContact OE1-CZ 3.42Å; E160-R164 IonicContact OE1-NE 2.76Å; E160-R164 PolarHBondContact OE1-NE 3.27Å; E160-R164 IonicContact OE1-NH2 3.33Å; E160-R164 PolarHBondContact OE1-NH2 2.91Å
161G93.4Very high93Very high30 Ų3084.8 Ų84.831%0.30937%0.37SS..Hα-helixtrans-61.7-44.5174.300000112.6R157 K158 L163 R164 R165R157-G161 PolarHBondContact O-N 3.26Å; K158-G161 PolarHBondContact O-N 3.03Å; K158-G161 VanDerWaalsContact O-N 3.17Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-R164 PolarHBondContact O-N 3.02Å; G161-R165 WeakPolarHBondContact O-CG 2.95Å; G161-R165 PolarHBondContact O-N 2.92Å
162D94.1Very high93Very high14 Ų1482.6 Ų82.68%0.07537%0.367CS..Hα-helixtrans-64.4-39.3175.8-73.313.1000111.6K158 I159 R165 S166 L223 W239K158-D162 PolarHBondContact O-N 2.68Å; I159-D162 PolarHBondContact O-N 3.49Å; D162-R165 PolarHBondContact O-N 3.35Å; D162-R165 IonicContact OD1-CZ 3.71Å; D162-R165 IonicContact OD1-NE 3.83Å; D162-R165 IonicContact OD1-NH2 3.01Å; D162-R165 PolarHBondContact OD1-NH2 2.61Å; D162-S166 WeakPolarHBondContact O-CB 3.47Å; D162-S166 PolarHBondContact O-N 3.18Å; D162-S166 PolarHBondContact O-OG 3.2Å; D162-L223 HydrophobicContact CB-CD1 3.83Å; D162-L223 HydrophobicContact CB-CD2 3.71Å; D162-L223 HydrophobicContact CB-CG 4.46Å; D162-W239 PolarHBondContact OD2-NE1 2.96Å
163L94.4Very high93.1Very high14 Ų1480.3 Ų80.37%0.07335%0.352CS..Hα-helixtrans-63-48.8176.9178.260.8000110.5I159 E160 G161 R165 S166 Q167 W186 P219 K222 L223 I226I159-L163 VanDerWaalsContact O-CB 3.31Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 PolarHBondContact O-N 3.44Å; E160-L163 PolarHBondContact O-N 3.43Å; G161-L163 VanDerWaalsContact C-N 3.34Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 3.38Å; L163-S166 PolarHBondContact O-N 2.97Å; L163-Q167 HydrophobicContact CD1-CG 4.26Å; L163-Q167 HydrophobicContact CG-CG 4.48Å; L163-Q167 WeakPolarHBondContact O-CB 3.3Å; L163-Q167 VanDerWaalsContact O-CG 3.28Å; L163-Q167 WeakPolarHBondContact O-CG 3.42Å; L163-Q167 PolarHBondContact O-N 3.4Å; L163-W186 HydrophobicContact CD1-CZ3 4.26Å; L163-P219 HydrophobicContact CD2-CB 4.49Å; L163-K222 HydrophobicContact CD1-CB 3.94Å; L163-K222 HydrophobicContact CD2-CB 3.97Å; L163-K222 HydrophobicContact CD2-CD 4.37Å; L163-L223 HydrophobicContact CB-CD1 4.4Å; L163-L223 HydrophobicContact CD1-CB 4.48Å; L163-I226 HydrophobicContact CD1-CG2 3.96Å
164R94.2Very high93.2Very high124 Ų12474.2 Ų74.247%0.46832%0.324SS..Hα-helixtrans-60.7-40.2176.9-72.2179.3-172.9-148.35112.2E160 G161 Q167 R168E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 3.2Å; E160-R164 IonicContact OE1-CZ 3.42Å; E160-R164 IonicContact OE1-NE 2.76Å; E160-R164 PolarHBondContact OE1-NE 3.27Å; E160-R164 IonicContact OE1-NH2 3.33Å; E160-R164 PolarHBondContact OE1-NH2 2.91Å; G161-R164 PolarHBondContact O-N 3.02Å; R164-Q167 PolarHBondContact O-N 3.36Å; R164-R168 WeakPolarHBondContact O-CG 3.41Å; R164-R168 PolarHBondContact O-N 2.83Å; R164-R168 VanDerWaalsContact O-N 3.14Å
165R93.6Very high93.2Very high140 Ų14069.8 Ų69.853%0.52831%0.313SS..Hα-helixtrans-63.8-42.8175.1-74.3-170.6-74-178.3-2.1112G161 D162 L163 S169 V238G161-R165 WeakPolarHBondContact O-CG 2.95Å; G161-R165 PolarHBondContact O-N 2.92Å; D162-R165 PolarHBondContact O-N 3.35Å; D162-R165 IonicContact OD1-CZ 3.71Å; D162-R165 IonicContact OD1-NE 3.83Å; D162-R165 IonicContact OD1-NH2 3.01Å; D162-R165 PolarHBondContact OD1-NH2 2.61Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 3.38Å; R165-S169 WeakPolarHBondContact O-CB 3.23Å; R165-S169 PolarHBondContact O-N 2.89Å; R165-S169 PolarHBondContact O-OG 2.89Å; R165-V238 HydrophobicContact CB-CG2 4.22Å
166S94.6Very high93.3Very high0 Ų072.3 Ų72.30%033%0.325CS..Hα-helixtrans-65-42.9177.2-56.70000111.3D162 L163 R168 S169 C170D162-S166 WeakPolarHBondContact O-CB 3.47Å; D162-S166 PolarHBondContact O-N 3.18Å; D162-S166 PolarHBondContact O-OG 3.2Å; L163-S166 PolarHBondContact O-N 2.97Å; S166-R168 PolarHBondContact O-N 3.14Å; S166-S169 PolarHBondContact O-N 3.46Å; S166-C170 VanDerWaalsContact O-CB 3.3Å; S166-C170 WeakPolarHBondContact O-CB 3.49Å; S166-C170 PolarHBondContact O-N 2.99Å
167Q94.6Very high93.3Very high29 Ų2972.8 Ų72.814%0.13632%0.322CS..Hα-helixtrans-59.9-47.9178.1-74.2170.2-2700112.2L163 R164 S169 C170 E171 W186 Y187 P189 I226L163-Q167 HydrophobicContact CD1-CG 4.26Å; L163-Q167 HydrophobicContact CG-CG 4.48Å; L163-Q167 WeakPolarHBondContact O-CB 3.3Å; L163-Q167 VanDerWaalsContact O-CG 3.28Å; L163-Q167 WeakPolarHBondContact O-CG 3.42Å; L163-Q167 PolarHBondContact O-N 3.4Å; R164-Q167 PolarHBondContact O-N 3.36Å; Q167-S169 VanDerWaalsContact C-N 3.35Å; Q167-S169 PolarHBondContact O-N 3.43Å; Q167-C170 WeakPolarHBondContact O-CB 3.37Å; Q167-C170 PolarHBondContact O-N 3.13Å; Q167-E171 PolarHBondContact O-N 2.88Å; Q167-W186 PolarHBondContact NE2-O 2.83Å; Q167-Y187 VanDerWaalsContact CA-O 3.26Å; Q167-Y187 WeakPolarHBondContact CA-O 2.9Å; Q167-Y187 WeakPolarHBondContact CB-O 3.01Å; Q167-Y187 WeakPolarHBondContact CG-O 3.35Å; Q167-P189 HydrophobicContact CB-CG 4.08Å; Q167-I226 HydrophobicContact CB-CD1 4.28Å; Q167-I226 HydrophobicContact CG-CD1 3.74Å
168R93.9Very high93.1Very high153 Ų15366.1 Ų66.158%0.57731%0.314SS*.Hα-helixtrans-62.3-41.9176.5-70.1177.9-176.1-174.5-0.8112.3R164 S166 C170 Q172 P189R164-R168 WeakPolarHBondContact O-CG 3.41Å; R164-R168 PolarHBondContact O-N 2.83Å; R164-R168 VanDerWaalsContact O-N 3.14Å; S166-R168 PolarHBondContact O-N 3.14Å; R168-C170 VanDerWaalsContact C-N 3.32Å; R168-Q172 WeakPolarHBondContact O-CB 3.49Å; R168-Q172 PolarHBondContact O-N 3.16Å; R168-Q172 VanDerWaalsContact O-N 3.07Å; R168-P189 HydrophobicContact CG-CG 3.75Å
169S93.6Very high92.9Very high19 Ų1963.6 Ų63.613%0.13331%0.306CS..Hα-helixtrans-65.5-39177.5-54.20000111.2R165 S166 Q167 Q172 L173R165-S169 WeakPolarHBondContact O-CB 3.23Å; R165-S169 PolarHBondContact O-N 2.89Å; R165-S169 PolarHBondContact O-OG 2.89Å; S166-S169 PolarHBondContact O-N 3.46Å; Q167-S169 VanDerWaalsContact C-N 3.35Å; Q167-S169 PolarHBondContact O-N 3.43Å; S169-Q172 PolarHBondContact O-N 3.33Å; S169-L173 WeakPolarHBondContact O-CB 3.41Å; S169-L173 VanDerWaalsContact O-CG 3.24Å; S169-L173 WeakPolarHBondContact O-CG 3.39Å; S169-L173 PolarHBondContact O-N 2.93Å
170C94Very high92.4Very high0 Ų067.4 Ų67.40%033%0.331CS..Hα-helixtrans-61.3-53.3176.6-165.70000111S166 Q167 R168 Q172 L173 D174 I226 Y229 L230S166-C170 VanDerWaalsContact O-CB 3.3Å; S166-C170 WeakPolarHBondContact O-CB 3.49Å; S166-C170 PolarHBondContact O-N 2.99Å; Q167-C170 WeakPolarHBondContact O-CB 3.37Å; Q167-C170 PolarHBondContact O-N 3.13Å; R168-C170 VanDerWaalsContact C-N 3.32Å; C170-Q172 VanDerWaalsContact C-N 3.3Å; C170-Q172 PolarHBondContact O-N 3.21Å; C170-L173 PolarHBondContact O-N 3.21Å; C170-D174 VanDerWaalsContact O-CB 3.25Å; C170-D174 WeakPolarHBondContact O-CB 3.14Å; C170-D174 VanDerWaalsContact O-CG 3.26Å; C170-D174 PolarHBondContact O-N 3.44Å; C170-D174 PolarHBondContact SG-OD2 3.04Å; C170-I226 HydrophobicContact CB-CD1 3.99Å; C170-I226 HydrophobicContact CB-CG1 4.33Å; C170-Y229 VanDerWaalsContact SG-CD1 3.58Å; C170-Y229 WeakPolarHBondContact SG-CE1 3.32Å; C170-L230 HydrophobicContact CB-CD2 3.98Å; C170-L230 HydrophobicContact CB-CG 4.48Å
171E93.6Very high92Very high69 Ų6966.2 Ų66.232%0.32234%0.336SS..Hα-helixtrans-54.6-46.2176.4-178.6-176.7-166.600111.8Q167 L173 N175 W188 P189Q167-E171 PolarHBondContact O-N 2.88Å; E171-L173 PolarHBondContact O-N 3.48Å; E171-N175 VanDerWaalsContact O-CB 3.29Å; E171-N175 WeakPolarHBondContact O-CB 3.45Å; E171-N175 PolarHBondContact O-N 3.49Å; E171-N175 PolarHBondContact O-ND2 2.97Å; E171-W188 HydrophobicContact CB-CB 4.27Å; E171-W188 HydrophobicContact CB-CD2 4.09Å; E171-W188 HydrophobicContact CB-CG 3.8Å; E171-W188 HydrophobicContact CG-CB 4.5Å; E171-W188 HydrophobicContact CG-CD2 3.94Å; E171-W188 HydrophobicContact CG-CE3 4.16Å; E171-W188 HydrophobicContact CG-CG 4.08Å; E171-P189 VanDerWaalsContact OE2-CD 3.28Å; E171-P189 WeakPolarHBondContact OE2-CD 3.31Å
172Q93.1Very high91.7Very high121 Ų12167 Ų6757%0.56534%0.336SS*.Hα-helixtrans-62.8-44.8179.2-176.3-179.7-2.300112.6R168 S169 C170 Q176R168-Q172 WeakPolarHBondContact O-CB 3.49Å; R168-Q172 PolarHBondContact O-N 3.16Å; R168-Q172 VanDerWaalsContact O-N 3.07Å; S169-Q172 PolarHBondContact O-N 3.33Å; C170-Q172 VanDerWaalsContact C-N 3.3Å; C170-Q172 PolarHBondContact O-N 3.21Å; Q172-Q176 WeakPolarHBondContact O-CG 3.43Å; Q172-Q176 PolarHBondContact O-N 3.38Å
173L92.6Very high91.2Very high18 Ų1875 Ų759%0.09437%0.365CS..Hα-helixtrans-75.9-34.2-176.8-70169.6000112.5S169 C170 E171 Q176 R177 L230 H234 Y236 T243S169-L173 WeakPolarHBondContact O-CB 3.41Å; S169-L173 VanDerWaalsContact O-CG 3.24Å; S169-L173 WeakPolarHBondContact O-CG 3.39Å; S169-L173 PolarHBondContact O-N 2.93Å; C170-L173 PolarHBondContact O-N 3.21Å; E171-L173 PolarHBondContact O-N 3.48Å; L173-Q176 PolarHBondContact O-N 3.36Å; L173-R177 PolarHBondContact O-N 3.45Å; L173-L230 HydrophobicContact CD1-CD2 3.93Å; L173-H234 VanDerWaalsContact C-CE1 3.48Å; L173-H234 HydrophobicContact CB-CB 4.41Å; L173-H234 HydrophobicContact CD1-CB 3.97Å; L173-H234 PolarHBondContact O-CE1 2.89Å; L173-Y236 HydrophobicContact CD1-CD1 3.76Å; L173-Y236 HydrophobicContact CD1-CD2 4.1Å; L173-Y236 HydrophobicContact CD1-CE1 4.41Å; L173-Y236 HydrophobicContact CD1-CG 3.57Å; L173-T243 HydrophobicContact CD2-CG2 4.21Å
174D94.1Very high90.8Very high0 Ų078 Ų780%038%0.379CS..Hα-helixtrans-62.6-48172.6-78.4-32.7000110.3C170 Q176 R177 G178 I179 W188 Y229 H234C170-D174 VanDerWaalsContact O-CB 3.25Å; C170-D174 WeakPolarHBondContact O-CB 3.14Å; C170-D174 VanDerWaalsContact O-CG 3.26Å; C170-D174 PolarHBondContact O-N 3.44Å; C170-D174 PolarHBondContact SG-OD2 3.04Å; D174-Q176 VanDerWaalsContact C-N 3.31Å; D174-Q176 PolarHBondContact O-N 3.04Å; D174-R177 CarbonylContact O-C 3.6Å; D174-R177 WeakPolarHBondContact O-CA 3.42Å; D174-R177 PolarHBondContact O-N 3.09Å; D174-G178 PolarHBondContact O-N 3.49Å; D174-G178 VanDerWaalsContact O-N 3.15Å; D174-I179 HydrophobicContact CB-CB 3.93Å; D174-I179 HydrophobicContact CB-CD1 4.49Å; D174-I179 HydrophobicContact CB-CG2 4.19Å; D174-I179 PolarHBondContact O-N 3.44Å; D174-I179 WeakPolarHBondContact OD1-CD1 3.39Å; D174-W188 HydrophobicContact CB-CZ2 3.69Å; D174-W188 PolarHBondContact OD2-NE1 2.86Å; D174-Y229 PolarHBondContact OD1-OH 2.94Å; D174-H234 IonicContact OD1-CE1 3.88Å; D174-H234 PolarHBondContact OD1-CE1 3.33Å; D174-H234 IonicContact OD1-NE2 2.69Å; D174-H234 PolarHBondContact OD1-NE2 3.46Å
175N91.8Very high90.4Very high85 Ų8575.5 Ų75.546%0.45538%0.378SS..Hα-helixtrans-58.9-40.2176.5-78.5-37.5000112.4E171 R177 G178E171-N175 VanDerWaalsContact O-CB 3.29Å; E171-N175 WeakPolarHBondContact O-CB 3.45Å; E171-N175 PolarHBondContact O-N 3.49Å; E171-N175 PolarHBondContact O-ND2 2.97Å; N175-R177 PolarHBondContact O-N 3.17Å; N175-G178 PolarHBondContact O-N 3.47Å; N175-G178 VanDerWaalsContact O-N 3.09Å
176Q91.1Very high90.1Very high136 Ų13670.9 Ų70.964%0.63636%0.361SS*.Hα-helixtrans-63.1-28.8175.5-75.3174.825.500113.3Q172 L173 D174 G178Q172-Q176 WeakPolarHBondContact O-CG 3.43Å; Q172-Q176 PolarHBondContact O-N 3.38Å; L173-Q176 PolarHBondContact O-N 3.36Å; D174-Q176 VanDerWaalsContact C-N 3.31Å; D174-Q176 PolarHBondContact O-N 3.04Å; Q176-G178 VanDerWaalsContact C-N 3.35Å
177R89.8Confident89.8Confident135 Ų13571.6 Ų71.651%0.50936%0.364SS..THydrogen-bonded Turntrans-924.7176.5-67.9-166.1176.2-173.80.8113.5L173 D174 N175 I179 V233 H234L173-R177 PolarHBondContact O-N 3.45Å; D174-R177 CarbonylContact O-C 3.6Å; D174-R177 WeakPolarHBondContact O-CA 3.42Å; D174-R177 PolarHBondContact O-N 3.09Å; N175-R177 PolarHBondContact O-N 3.17Å; R177-I179 VanDerWaalsContact C-N 3.29Å; R177-I179 HydrophobicContact CB-CD1 4.35Å; R177-I179 HydrophobicContact CB-CG1 4.41Å; R177-V233 PolarHBondContact NH1-O 3.03Å; R177-V233 PolarHBondContact NH2-O 2.66Å; R177-H234 PolarHBondContact NE-ND1 3.33Å
178G89.1Confident89.7Confident58 Ų5872 Ų7260%0.59836%0.364SS*.THydrogen-bonded Turntrans72.520.4-179.100000114D174 N175 Q176 T180D174-G178 PolarHBondContact O-N 3.49Å; D174-G178 VanDerWaalsContact O-N 3.15Å; N175-G178 PolarHBondContact O-N 3.47Å; N175-G178 VanDerWaalsContact O-N 3.09Å; Q176-G178 VanDerWaalsContact C-N 3.35Å; G178-T180 PolarHBondContact O-N 2.94Å
179I88.6Confident89.3Confident55 Ų5566.5 Ų66.528%0.28235%0.348SS..  trans-81.6109173-61.7168.3000107.1D174 R177 A181D174-I179 HydrophobicContact CB-CB 3.93Å; D174-I179 HydrophobicContact CB-CD1 4.49Å; D174-I179 HydrophobicContact CB-CG2 4.19Å; D174-I179 PolarHBondContact O-N 3.44Å; D174-I179 WeakPolarHBondContact OD1-CD1 3.39Å; R177-I179 VanDerWaalsContact C-N 3.29Å; R177-I179 HydrophobicContact CB-CD1 4.35Å; R177-I179 HydrophobicContact CB-CG1 4.41Å; I179-A181 VanDerWaalsContact CG2-O 3.28Å; I179-A181 WeakPolarHBondContact CG2-O 3.28Å
180T82.8Confident88.7Confident129 Ų12973.2 Ų73.279%0.79138%0.375SS*.  trans-91.9-4.9-173.251.80000114.2G178G178-T180 PolarHBondContact O-N 2.94Å
181A84.6Confident87.4Confident61 Ų6177 Ų7750%0.50441%0.413SS..SBendtrans-138.8138178.900000110.8I179I179-A181 VanDerWaalsContact CG2-O 3.28Å; I179-A181 WeakPolarHBondContact CG2-O 3.28Å
182P87.8Confident85.2Confident47 Ų4780.6 Ų80.631%0.30544%0.435SS..  trans-69143.2179.228.3-33.5000111E184 W188P182-E184 VanDerWaalsContact C-N 3.28Å; P182-E184 WeakPolarHBondContact CB-O 3.49Å; P182-E184 PolarHBondContact O-N 3.34Å; P182-W188 HydrophobicContact CB-CB 4.38Å; P182-W188 HydrophobicContact CB-CD2 3.74Å; P182-W188 HydrophobicContact CB-CE3 4.34Å; P182-W188 HydrophobicContact CB-CG 3.75Å; P182-W188 HydrophobicContact CG-CD2 4.11Å; P182-W188 HydrophobicContact CG-CE3 4.22Å; P182-W188 HydrophobicContact CG-CG 4.34Å
183R84.3Confident82.7Confident183 Ų18378.6 Ų78.669%0.69145%0.447SS*.SBendtrans-62-36.2178.5-177.9165.1-178.9154.2-1.1113.1Y187R183-Y187 HydrophobicContact CB-CD1 4.09Å; R183-Y187 HydrophobicContact CB-CE1 3.99Å
184E84.9Confident80.2Confident76 Ų7685.2 Ų85.236%0.35548%0.482SS..SBendtrans-128.3145.4171.1-69.2-74158.500108.7P182 W186 Y187P182-E184 VanDerWaalsContact C-N 3.28Å; P182-E184 WeakPolarHBondContact CB-O 3.49Å; P182-E184 PolarHBondContact O-N 3.34Å; E184-W186 PolarHBondContact O-N 3.17Å; E184-Y187 HydrophobicContact CB-CD2 3.55Å; E184-Y187 HydrophobicContact CB-CE2 3.7Å; E184-Y187 HydrophobicContact CB-CG 4.17Å; E184-Y187 HydrophobicContact CG-CD2 4.12Å; E184-Y187 HydrophobicContact CG-CE2 3.73Å; E184-Y187 WeakPolarHBondContact O-CB 3.24Å; E184-Y187 PolarHBondContact O-N 2.78Å
185P85.2Confident77.9Confident71 Ų7192.3 Ų92.346%0.46152%0.52SS..THydrogen-bonded Turntrans-58.4-13.6-175.7-2734.8000116.1I209P185-I209 HydrophobicContact CG-CD1 4.47Å
186W87.9Confident75.7Confident44 Ų4497.1 Ų97.117%0.16754%0.54CS..THydrogen-bonded Turntrans-107.52.4179.161-91.1000113.4L163 Q167 E184 W188 L217 K222 I225 I226L163-W186 HydrophobicContact CD1-CZ3 4.26Å; Q167-W186 PolarHBondContact NE2-O 2.83Å; E184-W186 PolarHBondContact O-N 3.17Å; W186-W188 VanDerWaalsContact C-N 3.32Å; W186-L217 HydrophobicContact CZ2-CD2 4.06Å; W186-K222 HydrophobicContact CD2-CB 4.48Å; W186-K222 HydrophobicContact CD2-CD 4.21Å; W186-K222 HydrophobicContact CD2-CG 4.05Å; W186-K222 HydrophobicContact CE3-CB 3.82Å; W186-K222 HydrophobicContact CE3-CD 4.15Å; W186-K222 HydrophobicContact CE3-CG 3.89Å; W186-K222 VanDerWaalsContact CH2-CA 3.49Å; W186-K222 HydrophobicContact CH2-CB 3.85Å; W186-K222 HydrophobicContact CH2-CG 4.08Å; W186-K222 WeakPolarHBondContact CH2-O 3.36Å; W186-K222 HydrophobicContact CZ2-CB 4.45Å; W186-K222 HydrophobicContact CZ2-CG 4.18Å; W186-K222 HydrophobicContact CZ3-CB 3.49Å; W186-K222 VanDerWaalsContact CZ3-CB 3.49Å; W186-K222 HydrophobicContact CZ3-CG 3.93Å; W186-K222 WeakPolarHBondContact CZ3-O 3.24Å; W186-I225 HydrophobicContact CH2-CB 3.82Å; W186-I225 HydrophobicContact CH2-CG2 3.7Å; W186-I225 HydrophobicContact CZ2-CB 4.27Å; W186-I225 HydrophobicContact CZ2-CG2 3.88Å; W186-I226 HydrophobicContact CH2-CB 4.39Å; W186-I226 HydrophobicContact CZ3-CB 4.01Å
187Y88.9Confident72.9Confident14 Ų14100.2 Ų100.26%0.05555%0.554CS.*SBendtrans-69-31.6176.3-90-150000112.6Q167 R183 E184 I225 I226 Y229Q167-Y187 VanDerWaalsContact CA-O 3.26Å; Q167-Y187 WeakPolarHBondContact CA-O 2.9Å; Q167-Y187 WeakPolarHBondContact CB-O 3.01Å; Q167-Y187 WeakPolarHBondContact CG-O 3.35Å; R183-Y187 HydrophobicContact CB-CD1 4.09Å; R183-Y187 HydrophobicContact CB-CE1 3.99Å; E184-Y187 HydrophobicContact CB-CD2 3.55Å; E184-Y187 HydrophobicContact CB-CE2 3.7Å; E184-Y187 HydrophobicContact CB-CG 4.17Å; E184-Y187 HydrophobicContact CG-CD2 4.12Å; E184-Y187 HydrophobicContact CG-CE2 3.73Å; E184-Y187 WeakPolarHBondContact O-CB 3.24Å; E184-Y187 PolarHBondContact O-N 2.78Å; Y187-I225 HydrophobicContact CE2-CG2 3.86Å; Y187-I225 WeakPolarHBondContact OH-CG2 3.4Å; Y187-I226 HydrophobicContact CD2-CG1 4.47Å; Y187-I226 HydrophobicContact CG-CD1 4.44Å; Y187-I226 HydrophobicContact CG-CG1 4.39Å; Y187-I226 VanDerWaalsContact O-CD1 3.28Å; Y187-I226 WeakPolarHBondContact O-CD1 3.26Å; Y187-Y229 HydrophobicContact CD1-CD1 4.04Å; Y187-Y229 HydrophobicContact CD1-CE1 4.36Å; Y187-Y229 HydrophobicContact CD1-CG 4.25Å; Y187-Y229 AromaticContact CE1-CD1 3.78Å; Y187-Y229 HydrophobicContact CE1-CD1 3.78Å; Y187-Y229 AromaticContact CE1-CD2 3.88Å; Y187-Y229 HydrophobicContact CE1-CD2 3.88Å; Y187-Y229 HydrophobicContact CE1-CE1 4.37Å; Y187-Y229 HydrophobicContact CE1-CE2 4.43Å; Y187-Y229 AromaticContact CE1-CG 3.52Å; Y187-Y229 HydrophobicContact CE1-CG 3.52Å
188W91.6Very high70Confident37 Ų37100.8 Ų100.814%0.1457%0.568CS.*SBendtrans-102.4153.2173.7-62.6-2.4000109.9E171 D174 P182 W186 K190E171-W188 HydrophobicContact CB-CB 4.27Å; E171-W188 HydrophobicContact CB-CD2 4.09Å; E171-W188 HydrophobicContact CB-CG 3.8Å; E171-W188 HydrophobicContact CG-CB 4.5Å; E171-W188 HydrophobicContact CG-CD2 3.94Å; E171-W188 HydrophobicContact CG-CE3 4.16Å; E171-W188 HydrophobicContact CG-CG 4.08Å; D174-W188 HydrophobicContact CB-CZ2 3.69Å; D174-W188 PolarHBondContact OD2-NE1 2.86Å; P182-W188 HydrophobicContact CB-CB 4.38Å; P182-W188 HydrophobicContact CB-CD2 3.74Å; P182-W188 HydrophobicContact CB-CE3 4.34Å; P182-W188 HydrophobicContact CB-CG 3.75Å; P182-W188 HydrophobicContact CG-CD2 4.11Å; P182-W188 HydrophobicContact CG-CE3 4.22Å; P182-W188 HydrophobicContact CG-CG 4.34Å; W186-W188 VanDerWaalsContact C-N 3.32Å; W188-K190 PolarHBondContact O-N 3.17Å
189P87.1Confident67.6Low38 Ų38103.8 Ų103.825%0.24758%0.577CS.*PPolyproline II helixtrans-57.3134.6170.8-16.530.3000109.2Q167 R168 E171 G191Q167-P189 HydrophobicContact CB-CG 4.08Å; R168-P189 HydrophobicContact CG-CG 3.75Å; E171-P189 VanDerWaalsContact OE2-CD 3.28Å; E171-P189 WeakPolarHBondContact OE2-CD 3.31Å; P189-G191 PolarHBondContact O-N 3.07Å
190K79.8Confident65Low161 Ų161107.2 Ų107.270%0.760%0.6SS**PPolyproline II helixtrans-68126.2162.4-64.7-175.3177.2-1730106W188 D192W188-K190 PolarHBondContact O-N 3.17Å; K190-D192 PolarHBondContact O-N 2.85Å; K190-D192 VanDerWaalsContact O-N 3.1Å
191G65.9Low63.3Low78 Ų78110 Ų11080%0.80460%0.604SS**PPolyproline II helixtrans-51.1120.2-178.400000110.7P189 G193P189-G191 PolarHBondContact O-N 3.07Å; G191-G193 VanDerWaalsContact C-N 3.32Å; G191-G193 PolarHBondContact O-N 3.35Å
192D47.7Very low60.9Low146 Ų146115.4 Ų115.478%0.78162%0.619SS**  trans-71.392.6167.6-77.8-56.6000106.7K190 D194K190-D192 PolarHBondContact O-N 2.85Å; K190-D192 VanDerWaalsContact O-N 3.1Å; D192-D194 PolarHBondContact O-N 2.86Å
193G41.4Very low58.8Low79 Ų79122 Ų12281%0.81465%0.646SS**  trans-74.8106166.900000109.7G191G191-G193 VanDerWaalsContact C-N 3.32Å; G191-G193 PolarHBondContact O-N 3.35Å
194D39.6Very low56.3Low156 Ų156120.5 Ų120.583%0.83465%0.651SS**  trans-69.4151.8157-140.42.9000108.4D192D192-D194 PolarHBondContact O-N 2.86Å
195D45.9Very low54.3Low149 Ų149125.9 Ų125.980%0.79768%0.677SS**SBendtrans-43.1155.8-169.7-75.1-55.6000118.9
196E45.1Very low52.1Low186 Ų186130.4 Ų130.487%0.86969%0.692SS**  trans82.892167-58.7-173.5177.200118.5
197E33.7Very low50Low201 Ų201136.9 Ų136.994%0.93972%0.724SS**  trans-173.6146.1130.4-101.4168.1-162.700111.2
198D27.5Very low47.9Very low147 Ų147144.6 Ų144.679%0.78676%0.76SS**  trans-51.9154.8-168.8-86.4-52.1000116.6V200D198-V200 PolarHBondContact O-N 2.96Å
199P40Very low45.8Very low122 Ų122146.3 Ų146.379%0.79277%0.771SS**  trans-73.8113.2179.530.5-30.8000110.4
200V33.6Very low43.9Very low126 Ų126148.7 Ų148.776%0.76479%0.787SS**  trans-95.7114.9164-162.80000107.5D198 E202D198-V200 PolarHBondContact O-N 2.96Å; V200-E202 PolarHBondContact O-N 3.25Å
201E46.5Very low42.5Very low189 Ų189149.1 Ų149.188%0.88379%0.791SS**  trans-60.9110.5167.3-69176.4160.800108.8
202E35.4Very low41.6Very low174 Ų174150.5 Ų150.581%0.81378%0.784SS**  trans-120.6105.4154.9-74-164.4166.600108V200 D204V200-E202 PolarHBondContact O-N 3.25Å; E202-D204 PolarHBondContact O-N 2.76Å
203E42.7Very low41.5Very low185 Ų185151 Ų15186%0.86478%0.779SS**  trans-65.3115.1160.7-65177.1156.500107.5
204D31.2Very low41.9Very low152 Ų152154.2 Ų154.281%0.81377%0.767SS**  trans-153.6136.5152.7-93.3-35.7000110.9E202 E206E202-D204 PolarHBondContact O-N 2.76Å; D204-E206 PolarHBondContact O-N 3.14Å
205E42.6Very low42.5Very low189 Ų189151.5 Ų151.588%0.88376%0.76SS**  trans-44.3107.1-164.7-69.6167.7154.900115.2E207E205-E207 PolarHBondContact O-N 2.94Å; E205-E207 VanDerWaalsContact O-N 3.12Å
206E39.9Very low43.1Very low166 Ų166150.2 Ų150.278%0.77675%0.753SS**  trans-69.7102.7163.8-126179.6167.800108.1D204 E208D204-E206 PolarHBondContact O-N 3.14Å; E206-E208 VanDerWaalsContact C-N 3.32Å; E206-E208 PolarHBondContact O-N 3.47Å
207E43.3Very low44.6Very low180 Ų180144.1 Ų144.184%0.84173%0.725SS**  trans-57.6104.4157.5-81.6-170167.200107E205 I209E205-E207 PolarHBondContact O-N 2.94Å; E205-E207 VanDerWaalsContact O-N 3.12Å; E207-I209 VanDerWaalsContact C-N 3.27Å; E207-I209 PolarHBondContact O-N 3.37Å
208E45.7Very low47.1Very low176 Ų176139.9 Ų139.982%0.82271%0.706SS**  trans-65.486.2-177.2-164.5177.3-165.400109.2E206 P210E206-E208 VanDerWaalsContact C-N 3.32Å; E206-E208 PolarHBondContact O-N 3.47Å; E208-P210 VanDerWaalsContact O-CD 3.31Å; E208-P210 WeakPolarHBondContact O-CD 3.38Å; E208-P210 VanDerWaalsContact O-N 3.14Å
209I46.5Very low50.1Low73 Ų73135.7 Ų135.737%0.37469%0.687SS.*  trans-55.3118.9168.1-59.1171.1000105.8P185 E207 E211P185-I209 HydrophobicContact CG-CD1 4.47Å; E207-I209 VanDerWaalsContact C-N 3.27Å; E207-I209 PolarHBondContact O-N 3.37Å; I209-E211 PolarHBondContact O-N 2.97Å; I209-E211 VanDerWaalsContact O-N 3.13Å
210P46.7Very low52.5Low88 Ų88132.4 Ų132.457%0.57167%0.666SS**  trans-50.6126.1-175.7-29.134.5000110.6E208 V212 F213E208-P210 VanDerWaalsContact O-CD 3.31Å; E208-P210 WeakPolarHBondContact O-CD 3.38Å; E208-P210 VanDerWaalsContact O-N 3.14Å; P210-V212 PolarHBondContact O-N 3.39Å; P210-F213 PolarHBondContact O-N 3.07Å
211E51.8Low55.3Low170 Ų170129.2 Ų129.279%0.79465%0.645SS**Hα-helixtrans-53.6-20.1-175.1-161.5163.8-16700113.1I209I209-E211 PolarHBondContact O-N 2.97Å; I209-E211 VanDerWaalsContact O-N 3.13Å
212V47Very low57.4Low106 Ų106122.6 Ų122.664%0.64261%0.613SS**Hα-helixtrans-65.7-32.8174.7-168.30000113.2P210 L216P210-V212 PolarHBondContact O-N 3.39Å; V212-L216 HydrophobicContact CG1-CD1 4.2Å; V212-L216 WeakPolarHBondContact O-CD1 3.45Å; V212-L216 WeakPolarHBondContact O-CG 3.42Å
213F45.7Very low60.2Low157 Ų157115.1 Ų115.169%0.68958%0.579SS**Hα-helixtrans-86.1-33-175.6-153.1-98000112.7P210 S215P210-F213 PolarHBondContact O-N 3.07Å; F213-S215 PolarHBondContact O-N 3.33Å
214R49.3Very low62.6Low146 Ų146112.4 Ų112.455%0.55157%0.566SS**Hα-helixtrans-68.7-21.6179.7-142.2176-141.6162.53.8112.9
215S52Low65.6Low99 Ų99108 Ų10869%0.69254%0.542SS*.THydrogen-bonded Turntrans-102-8.1-170.6-157.90000115F213F213-S215 PolarHBondContact O-N 3.33Å
216L58.3Low68Low123 Ų12399 Ų9964%0.64450%0.5SS*.SBendtrans-96.5-18-170.5-78.6169.9000115.9V212V212-L216 HydrophobicContact CG1-CD1 4.2Å; V212-L216 WeakPolarHBondContact O-CD1 3.45Å; V212-L216 WeakPolarHBondContact O-CG 3.42Å
217L76.1Confident70.6Confident57 Ų5791.5 Ų91.530%0.29847%0.466SS..  trans-94116.3-169.9-158.368.4000111.9W186 D221 K222 I225W186-L217 HydrophobicContact CZ2-CD2 4.06Å; L217-D221 HydrophobicContact CD1-CB 3.39Å; L217-D221 HydrophobicContact CD2-CB 4.48Å; L217-D221 HydrophobicContact CG-CB 3.72Å; L217-K222 HydrophobicContact CB-CG 4.39Å; L217-K222 HydrophobicContact CD2-CG 3.62Å; L217-K222 HydrophobicContact CG-CG 3.97Å; L217-K222 VanDerWaalsContact O-CE 3.32Å; L217-K222 WeakPolarHBondContact O-CE 3.37Å; L217-I225 HydrophobicContact CD1-CD1 4.45Å; L217-I225 HydrophobicContact CD2-CD1 3.82Å
218Q87Confident73Confident113 Ų11386.3 Ų86.353%0.52845%0.449SS..  trans-68.4155.3179.7-61-58.8-64.600110.6S220 D221 K222Q218-S220 PolarHBondContact O-N 3.07Å; Q218-S220 VanDerWaalsContact O-N 3.15Å; Q218-D221 PolarHBondContact N-OD2 2.76Å; Q218-D221 PolarHBondContact O-N 3.47Å; Q218-K222 PolarHBondContact O-N 3.32Å
219P89.8Confident75.3Confident59 Ų5979 Ų7938%0.38341%0.414SS..Hα-helixtrans-54.5-31.8176.1-27.135.6000113.8I159 L163 L223I159-P219 HydrophobicContact CG2-CB 3.93Å; L163-P219 HydrophobicContact CD2-CB 4.49Å; P219-L223 WeakPolarHBondContact O-CB 3.4Å; P219-L223 PolarHBondContact O-N 3.2Å
220S91.4Very high77.6Confident52 Ų5275.6 Ų75.636%0.36440%0.397SS..Hα-helixtrans-60.5-46.4174.151.40000112.2Q218 L223 Q224Q218-S220 PolarHBondContact O-N 3.07Å; Q218-S220 VanDerWaalsContact O-N 3.15Å; S220-L223 WeakPolarHBondContact O-CB 3.3Å; S220-L223 PolarHBondContact O-N 3.14Å; S220-Q224 PolarHBondContact O-N 3.49Å
221D91.6Very high79.8Confident59 Ų5973.3 Ų73.332%0.31638%0.377SS..Hα-helixtrans-72.7-38.3-175.3-47.1-26.5000109.5L217 Q218 L223 Q224 I225L217-D221 HydrophobicContact CD1-CB 3.39Å; L217-D221 HydrophobicContact CD2-CB 4.48Å; L217-D221 HydrophobicContact CG-CB 3.72Å; Q218-D221 PolarHBondContact N-OD2 2.76Å; Q218-D221 PolarHBondContact O-N 3.47Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.98Å; D221-Q224 PolarHBondContact O-N 3.44Å; D221-I225 WeakPolarHBondContact O-CB 3.28Å; D221-I225 VanDerWaalsContact O-CG1 3.27Å; D221-I225 WeakPolarHBondContact O-CG1 3.42Å; D221-I225 PolarHBondContact O-N 3.47Å
222K91.6Very high81.8Confident51 Ų5167.7 Ų67.722%0.22236%0.364CS..Hα-helixtrans-57.7-46.5170.6-71.6178.3-176.9171.50111.2L163 W186 L217 Q218 I225 I226L163-K222 HydrophobicContact CD1-CB 3.94Å; L163-K222 HydrophobicContact CD2-CB 3.97Å; L163-K222 HydrophobicContact CD2-CD 4.37Å; W186-K222 HydrophobicContact CD2-CB 4.48Å; W186-K222 HydrophobicContact CD2-CD 4.21Å; W186-K222 HydrophobicContact CD2-CG 4.05Å; W186-K222 HydrophobicContact CE3-CB 3.82Å; W186-K222 HydrophobicContact CE3-CD 4.15Å; W186-K222 HydrophobicContact CE3-CG 3.89Å; W186-K222 VanDerWaalsContact CH2-CA 3.49Å; W186-K222 HydrophobicContact CH2-CB 3.85Å; W186-K222 HydrophobicContact CH2-CG 4.08Å; W186-K222 WeakPolarHBondContact CH2-O 3.36Å; W186-K222 HydrophobicContact CZ2-CB 4.45Å; W186-K222 HydrophobicContact CZ2-CG 4.18Å; W186-K222 HydrophobicContact CZ3-CB 3.49Å; W186-K222 VanDerWaalsContact CZ3-CB 3.49Å; W186-K222 HydrophobicContact CZ3-CG 3.93Å; W186-K222 WeakPolarHBondContact CZ3-O 3.24Å; L217-K222 HydrophobicContact CB-CG 4.39Å; L217-K222 HydrophobicContact CD2-CG 3.62Å; L217-K222 HydrophobicContact CG-CG 3.97Å; L217-K222 VanDerWaalsContact O-CE 3.32Å; L217-K222 WeakPolarHBondContact O-CE 3.37Å; Q218-K222 PolarHBondContact O-N 3.32Å; K222-I225 PolarHBondContact O-N 3.5Å; K222-I226 WeakPolarHBondContact O-CG2 3.46Å; K222-I226 PolarHBondContact O-N 3.26Å
223L94Very high83.9Confident17 Ų1764.8 Ų64.89%0.08935%0.347CS..Hα-helixtrans-60.6-46.5178178.761.7000111.4I159 D162 L163 P219 S220 D221 I225 I226 T227I159-L223 HydrophobicContact CG2-CB 4.39Å; I159-L223 HydrophobicContact CG2-CD2 4.11Å; D162-L223 HydrophobicContact CB-CD1 3.83Å; D162-L223 HydrophobicContact CB-CD2 3.71Å; D162-L223 HydrophobicContact CB-CG 4.46Å; L163-L223 HydrophobicContact CB-CD1 4.4Å; L163-L223 HydrophobicContact CD1-CB 4.48Å; P219-L223 WeakPolarHBondContact O-CB 3.4Å; P219-L223 PolarHBondContact O-N 3.2Å; S220-L223 WeakPolarHBondContact O-CB 3.3Å; S220-L223 PolarHBondContact O-N 3.14Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.98Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.26Å; L223-I226 VanDerWaalsContact O-CG2 3.32Å; L223-I226 WeakPolarHBondContact O-CG2 3.49Å; L223-I226 PolarHBondContact O-N 2.97Å; L223-T227 HydrophobicContact CD1-CG2 3.77Å; L223-T227 HydrophobicContact CG-CG2 4.28Å; L223-T227 WeakPolarHBondContact O-CB 3.28Å; L223-T227 WeakPolarHBondContact O-CG2 3.45Å; L223-T227 PolarHBondContact O-N 3.5Å; L223-T227 PolarHBondContact O-OG1 2.82Å
224Q93.4Very high86.1Confident127 Ų12757.6 Ų57.659%0.59332%0.315SS*.Hα-helixtrans-62.9-41.6179-172.9178.5-3.500112.3S220 D221 T227 S228S220-Q224 PolarHBondContact O-N 3.49Å; D221-Q224 PolarHBondContact O-N 3.44Å; Q224-T227 PolarHBondContact O-OG1 2.97Å; Q224-T227 VanDerWaalsContact O-OG1 3.07Å; Q224-S228 WeakPolarHBondContact O-CB 3.39Å; Q224-S228 PolarHBondContact O-N 3.33Å
225I93.4Very high88.3Confident61 Ų6152.9 Ų52.931%0.31330%0.298SS..Hα-helixtrans-66.6-47.5179.9-71.7169.5000110.4W186 Y187 L217 D221 K222 L223 T227 S228 Y229W186-I225 HydrophobicContact CH2-CB 3.82Å; W186-I225 HydrophobicContact CH2-CG2 3.7Å; W186-I225 HydrophobicContact CZ2-CB 4.27Å; W186-I225 HydrophobicContact CZ2-CG2 3.88Å; Y187-I225 HydrophobicContact CE2-CG2 3.86Å; Y187-I225 WeakPolarHBondContact OH-CG2 3.4Å; L217-I225 HydrophobicContact CD1-CD1 4.45Å; L217-I225 HydrophobicContact CD2-CD1 3.82Å; D221-I225 WeakPolarHBondContact O-CB 3.28Å; D221-I225 VanDerWaalsContact O-CG1 3.27Å; D221-I225 WeakPolarHBondContact O-CG1 3.42Å; D221-I225 PolarHBondContact O-N 3.47Å; K222-I225 PolarHBondContact O-N 3.5Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.26Å; I225-T227 PolarHBondContact O-N 2.96Å; I225-S228 PolarHBondContact O-N 3.45Å; I225-S228 PolarHBondContact O-OG 2.98Å; I225-Y229 PolarHBondContact O-N 3.48Å; I225-Y229 VanDerWaalsContact O-N 3.08Å
226I93.6Very high90.3Very high0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-69-35.8-178.6-162.9172.3000112.3L163 Q167 C170 W186 Y187 K222 L223 S228 Y229 L230L163-I226 HydrophobicContact CD1-CG2 3.96Å; Q167-I226 HydrophobicContact CB-CD1 4.28Å; Q167-I226 HydrophobicContact CG-CD1 3.74Å; C170-I226 HydrophobicContact CB-CD1 3.99Å; C170-I226 HydrophobicContact CB-CG1 4.33Å; W186-I226 HydrophobicContact CH2-CB 4.39Å; W186-I226 HydrophobicContact CZ3-CB 4.01Å; Y187-I226 HydrophobicContact CD2-CG1 4.47Å; Y187-I226 HydrophobicContact CG-CD1 4.44Å; Y187-I226 HydrophobicContact CG-CG1 4.39Å; Y187-I226 VanDerWaalsContact O-CD1 3.28Å; Y187-I226 WeakPolarHBondContact O-CD1 3.26Å; K222-I226 WeakPolarHBondContact O-CG2 3.46Å; K222-I226 PolarHBondContact O-N 3.26Å; L223-I226 VanDerWaalsContact O-CG2 3.32Å; L223-I226 WeakPolarHBondContact O-CG2 3.49Å; L223-I226 PolarHBondContact O-N 2.97Å; I226-S228 VanDerWaalsContact C-N 3.33Å; I226-Y229 PolarHBondContact O-N 2.83Å; I226-L230 WeakPolarHBondContact O-CG 3.37Å; I226-L230 PolarHBondContact O-N 3.46Å
227T94.4Very high92.1Very high8 Ų843.9 Ų43.95%0.04924%0.241CC..Hα-helixtrans-68.1-36.217659.20000110.9L223 Q224 I225 Y229 L230 R231 V238 W239L223-T227 HydrophobicContact CD1-CG2 3.77Å; L223-T227 HydrophobicContact CG-CG2 4.28Å; L223-T227 WeakPolarHBondContact O-CB 3.28Å; L223-T227 WeakPolarHBondContact O-CG2 3.45Å; L223-T227 PolarHBondContact O-N 3.5Å; L223-T227 PolarHBondContact O-OG1 2.82Å; Q224-T227 PolarHBondContact O-OG1 2.97Å; Q224-T227 VanDerWaalsContact O-OG1 3.07Å; I225-T227 PolarHBondContact O-N 2.96Å; T227-Y229 VanDerWaalsContact C-N 3.33Å; T227-Y229 PolarHBondContact O-N 3.27Å; T227-L230 PolarHBondContact O-N 2.95Å; T227-R231 WeakPolarHBondContact O-CB 3.16Å; T227-R231 VanDerWaalsContact O-CG 3.24Å; T227-R231 WeakPolarHBondContact O-CG 3.38Å; T227-R231 PolarHBondContact O-N 3.46Å; T227-V238 HydrophobicContact CG2-CG1 4.15Å; T227-W239 HydrophobicContact CG2-CH2 3.49Å; T227-W239 VanDerWaalsContact CG2-CH2 3.49Å; T227-W239 HydrophobicContact CG2-CZ2 4.03Å; T227-W239 HydrophobicContact CG2-CZ3 4.18Å
228S94.1Very high92.9Very high71 Ų7142.1 Ų42.150%0.49723%0.233SC..Hα-helixtrans-62.3-4017380.50000112.2Q224 I225 I226 R231 G232Q224-S228 WeakPolarHBondContact O-CB 3.39Å; Q224-S228 PolarHBondContact O-N 3.33Å; I225-S228 PolarHBondContact O-N 3.45Å; I225-S228 PolarHBondContact O-OG 2.98Å; I226-S228 VanDerWaalsContact C-N 3.33Å; S228-R231 PolarHBondContact O-N 3.37Å; S228-G232 PolarHBondContact O-N 3.22Å
229Y94.6Very high93.2Very high22 Ų2239.1 Ų39.19%0.08622%0.217CC..Hα-helixtrans-64.3-48.8175174.8-99.7000111.9C170 D174 Y187 I225 I226 T227 R231 G232 V233 H234C170-Y229 VanDerWaalsContact SG-CD1 3.58Å; C170-Y229 WeakPolarHBondContact SG-CE1 3.32Å; D174-Y229 PolarHBondContact OD1-OH 2.94Å; Y187-Y229 HydrophobicContact CD1-CD1 4.04Å; Y187-Y229 HydrophobicContact CD1-CE1 4.36Å; Y187-Y229 HydrophobicContact CD1-CG 4.25Å; Y187-Y229 AromaticContact CE1-CD1 3.78Å; Y187-Y229 HydrophobicContact CE1-CD1 3.78Å; Y187-Y229 AromaticContact CE1-CD2 3.88Å; Y187-Y229 HydrophobicContact CE1-CD2 3.88Å; Y187-Y229 HydrophobicContact CE1-CE1 4.37Å; Y187-Y229 HydrophobicContact CE1-CE2 4.43Å; Y187-Y229 AromaticContact CE1-CG 3.52Å; Y187-Y229 HydrophobicContact CE1-CG 3.52Å; I225-Y229 PolarHBondContact O-N 3.48Å; I225-Y229 VanDerWaalsContact O-N 3.08Å; I226-Y229 PolarHBondContact O-N 2.83Å; T227-Y229 VanDerWaalsContact C-N 3.33Å; T227-Y229 PolarHBondContact O-N 3.27Å; Y229-R231 VanDerWaalsContact C-N 3.27Å; Y229-R231 PolarHBondContact O-N 3.06Å; Y229-G232 PolarHBondContact O-N 3.11Å; Y229-V233 HydrophobicContact CD2-CB 4.28Å; Y229-V233 HydrophobicContact CD2-CG2 3.63Å; Y229-V233 HydrophobicContact CE2-CB 3.99Å; Y229-V233 HydrophobicContact CE2-CG1 4.27Å; Y229-V233 HydrophobicContact CE2-CG2 3.49Å; Y229-V233 VanDerWaalsContact CE2-CG2 3.49Å; Y229-V233 HydrophobicContact CG-CG2 4.44Å; Y229-V233 WeakPolarHBondContact O-CB 3.41Å; Y229-V233 PolarHBondContact O-N 3.12Å; Y229-H234 AromaticContact CE1-CD2 3.76Å; Y229-H234 AromaticContact CE1-NE2 3.55Å; Y229-H234 AromaticContact CZ-NE2 3.82Å
230L93.7Very high93.4Very high1 Ų138.5 Ų38.51%0.00521%0.213CC..Hα-helixtrans-57.6-40.7177.3-76.4173.4000112.3C170 L173 I226 T227 H234 F235 Y236C170-L230 HydrophobicContact CB-CD2 3.98Å; C170-L230 HydrophobicContact CB-CG 4.48Å; L173-L230 HydrophobicContact CD1-CD2 3.93Å; I226-L230 WeakPolarHBondContact O-CG 3.37Å; I226-L230 PolarHBondContact O-N 3.46Å; T227-L230 PolarHBondContact O-N 2.95Å; L230-H234 CarbonylContact O-C 3.48Å; L230-H234 WeakPolarHBondContact O-CA 3.38Å; L230-H234 WeakPolarHBondContact O-CB 3.37Å; L230-H234 PolarHBondContact O-N 2.85Å; L230-H234 VanDerWaalsContact O-N 3.12Å; L230-F235 PolarHBondContact O-N 3.08Å; L230-F235 VanDerWaalsContact O-N 3.11Å; L230-Y236 CarbonylContact C-O 3.59Å; L230-Y236 HydrophobicContact CB-CD1 4.33Å; L230-Y236 HydrophobicContact CD1-CD1 4.19Å; L230-Y236 HydrophobicContact CD2-CD1 4.11Å; L230-Y236 HydrophobicContact CG-CD1 4.46Å; L230-Y236 PolarHBondContact O-N 2.67Å
231R94.1Very high93.4Very high41 Ų4138.3 Ų38.316%0.15522%0.219CC..Hα-helixtrans-73.6-41.7179.1-7217874.3860.2112.9T227 S228 Y229 F235 Y236 L250 C254 G256T227-R231 WeakPolarHBondContact O-CB 3.16Å; T227-R231 VanDerWaalsContact O-CG 3.24Å; T227-R231 WeakPolarHBondContact O-CG 3.38Å; T227-R231 PolarHBondContact O-N 3.46Å; S228-R231 PolarHBondContact O-N 3.37Å; Y229-R231 VanDerWaalsContact C-N 3.27Å; Y229-R231 PolarHBondContact O-N 3.06Å; R231-F235 VanDerWaalsContact O-CA 3.28Å; R231-F235 WeakPolarHBondContact O-CA 3.44Å; R231-F235 WeakPolarHBondContact O-CD1 3.17Å; R231-F235 PolarHBondContact O-N 3.02Å; R231-Y236 WeakPolarHBondContact CG-O 3.27Å; R231-L250 HydrophobicContact CB-CD2 3.89Å; R231-L250 HydrophobicContact CG-CD2 4.25Å; R231-L250 WeakPolarHBondContact O-CD2 3.46Å; R231-C254 PolarHBondContact NH1-SG 3.22Å; R231-G256 PolarHBondContact NH1-O 3.15Å
232G91.9Very high93.4Very high51 Ų5138.6 Ų38.653%0.52622%0.223SC..Hα-helixtrans-80.8-37.4-176.300000114S228 Y229S228-G232 PolarHBondContact O-N 3.22Å; Y229-G232 PolarHBondContact O-N 3.11Å
233V92.4Very high93.5Very high46 Ų4640.3 Ų40.328%0.27924%0.238SC..Hα-helixtrans-92.3-51.6-177.9179.40000110.4R177 Y229R177-V233 PolarHBondContact NH1-O 3.03Å; R177-V233 PolarHBondContact NH2-O 2.66Å; Y229-V233 HydrophobicContact CD2-CB 4.28Å; Y229-V233 HydrophobicContact CD2-CG2 3.63Å; Y229-V233 HydrophobicContact CE2-CB 3.99Å; Y229-V233 HydrophobicContact CE2-CG1 4.27Å; Y229-V233 HydrophobicContact CE2-CG2 3.49Å; Y229-V233 VanDerWaalsContact CE2-CG2 3.49Å; Y229-V233 HydrophobicContact CG-CG2 4.44Å; Y229-V233 WeakPolarHBondContact O-CB 3.41Å; Y229-V233 PolarHBondContact O-N 3.12Å
234H91.9Very high93.5Very high6 Ų641 Ų413%0.02824%0.24CC..SBendtrans-95.5-2.1-173-61.6-81.4000114.4L173 D174 R177 Y229 L230 Y236L173-H234 VanDerWaalsContact C-CE1 3.48Å; L173-H234 HydrophobicContact CB-CB 4.41Å; L173-H234 HydrophobicContact CD1-CB 3.97Å; L173-H234 PolarHBondContact O-CE1 2.89Å; D174-H234 IonicContact OD1-CE1 3.88Å; D174-H234 PolarHBondContact OD1-CE1 3.33Å; D174-H234 IonicContact OD1-NE2 2.69Å; D174-H234 PolarHBondContact OD1-NE2 3.46Å; R177-H234 PolarHBondContact NE-ND1 3.33Å; Y229-H234 AromaticContact CE1-CD2 3.76Å; Y229-H234 AromaticContact CE1-NE2 3.55Å; Y229-H234 AromaticContact CZ-NE2 3.82Å; L230-H234 CarbonylContact O-C 3.48Å; L230-H234 WeakPolarHBondContact O-CA 3.38Å; L230-H234 WeakPolarHBondContact O-CB 3.37Å; L230-H234 PolarHBondContact O-N 2.85Å; L230-H234 VanDerWaalsContact O-N 3.12Å; H234-Y236 PolarHBondContact O-N 3.31Å; H234-Y236 VanDerWaalsContact O-N 3.14Å
235F94.3Very high93.3Very high46 Ų4641 Ų4120%0.20224%0.244CC..  trans45.442-170.3-54.3-60.8000111.1L230 R231 T243 Y244 E247L230-F235 PolarHBondContact O-N 3.08Å; L230-F235 VanDerWaalsContact O-N 3.11Å; R231-F235 VanDerWaalsContact O-CA 3.28Å; R231-F235 WeakPolarHBondContact O-CA 3.44Å; R231-F235 WeakPolarHBondContact O-CD1 3.17Å; R231-F235 PolarHBondContact O-N 3.02Å; F235-T243 CarbonylContact O-C 3.37Å; F235-T243 WeakPolarHBondContact O-CA 3.25Å; F235-Y244 WeakPolarHBondContact CB-O 3.32Å; F235-Y244 VanDerWaalsContact O-CD2 3.3Å; F235-Y244 WeakPolarHBondContact O-CD2 3.47Å; F235-Y244 PolarHBondContact O-N 3.32Å; F235-E247 HydrophobicContact CE1-CB 3.91Å
236Y94.7Very high93.3Very high34 Ų3443 Ų4313%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-113.2136.7-175.7177.3-105.3000110.6L173 L230 R231 H234 V238 T242 T243L173-Y236 HydrophobicContact CD1-CD1 3.76Å; L173-Y236 HydrophobicContact CD1-CD2 4.1Å; L173-Y236 HydrophobicContact CD1-CE1 4.41Å; L173-Y236 HydrophobicContact CD1-CG 3.57Å; L230-Y236 CarbonylContact C-O 3.59Å; L230-Y236 HydrophobicContact CB-CD1 4.33Å; L230-Y236 HydrophobicContact CD1-CD1 4.19Å; L230-Y236 HydrophobicContact CD2-CD1 4.11Å; L230-Y236 HydrophobicContact CG-CD1 4.46Å; L230-Y236 PolarHBondContact O-N 2.67Å; R231-Y236 WeakPolarHBondContact CG-O 3.27Å; H234-Y236 PolarHBondContact O-N 3.31Å; H234-Y236 VanDerWaalsContact O-N 3.14Å; Y236-V238 HydrophobicContact CE1-CB 4.18Å; Y236-T242 VanDerWaalsContact CD2-O 3.23Å; Y236-T242 WeakPolarHBondContact CD2-O 3.49Å; Y236-T243 HydrophobicContact CD2-CG2 3.68Å; Y236-T243 HydrophobicContact CG-CG2 4.37Å
237C95.2Very high93.1Very high0 Ų050 Ų500%029%0.288CS..EExtended strand (participates in β ladder)trans-112.2119.7172179.70000110.5W239 C240 G241 T242 Y244 L250 C254C237-W239 VanDerWaalsContact C-N 3.26Å; C237-W239 PolarHBondContact O-N 3.02Å; C237-C240 HydrophobicContact CB-CB 3.96Å; C237-C240 PolarHBondContact O-N 3.36Å; C237-G241 PolarHBondContact O-N 3.4Å; C237-T242 PolarHBondContact N-O 3.09Å; C237-T242 VanDerWaalsContact N-O 3.16Å; C237-Y244 HydrophobicContact CB-CE2 3.96Å; C237-L250 HydrophobicContact CB-CD1 4.45Å; C237-C254 PolarHBondContact SG-SG 2.94Å
238V93.7Very high93Very high20 Ų2057.6 Ų57.612%0.12132%0.323CS..THydrogen-bonded Turntrans-65.8-27.1-179.169.10000113.3R165 T227 Y236R165-V238 HydrophobicContact CB-CG2 4.22Å; T227-V238 HydrophobicContact CG2-CG1 4.15Å; Y236-V238 HydrophobicContact CE1-CB 4.18Å
239W94.4Very high92.9Very high50 Ų5056 Ų5619%0.18931%0.309CS..THydrogen-bonded Turntrans-87-33.7-179.8-56.2-75.8000112.9D162 T227 C237 D257 A259 H262D162-W239 PolarHBondContact OD2-NE1 2.96Å; T227-W239 HydrophobicContact CG2-CH2 3.49Å; T227-W239 VanDerWaalsContact CG2-CH2 3.49Å; T227-W239 HydrophobicContact CG2-CZ2 4.03Å; T227-W239 HydrophobicContact CG2-CZ3 4.18Å; C237-W239 VanDerWaalsContact C-N 3.26Å; C237-W239 PolarHBondContact O-N 3.02Å; W239-D257 WeakPolarHBondContact CH2-O 3.28Å; W239-D257 WeakPolarHBondContact CZ3-O 3.29Å; W239-A259 HydrophobicContact CZ2-CB 4.37Å; W239-A259 VanDerWaalsContact NE1-CB 3.29Å; W239-H262 HydrophobicContact CB-CB 3.92Å; W239-H262 AromaticContact CE3-CE1 3.84Å
240C92.8Very high92.8Very high45 Ų4555.5 Ų55.530%0.30431%0.307SS..THydrogen-bonded Turntrans-75.7-29.1171.1-64.90000112.1C237 T242 Y244 H262C237-C240 HydrophobicContact CB-CB 3.96Å; C237-C240 PolarHBondContact O-N 3.36Å; C240-T242 VanDerWaalsContact C-N 3.34Å; C240-Y244 PolarHBondContact SG-OH 3.1Å; C240-Y244 VanDerWaalsContact SG-OH 3.38Å; C240-H262 VanDerWaalsContact SG-CD2 3.56Å; C240-H262 PolarHBondContact SG-NE2 2.95Å; C240-H262 VanDerWaalsContact SG-NE2 3.43Å
241G91.1Very high92.6Very high48 Ų4859 Ų5950%0.49534%0.337SS..THydrogen-bonded Turntrans7324.6-176.200000113.6C237C237-G241 PolarHBondContact O-N 3.4Å
242T92.3Very high92.6Very high65 Ų6561.3 Ų61.340%0.39936%0.359SS..EExtended strand (participates in β ladder)trans-135.2149.1-174.963.20000112Y236 C237 C240Y236-T242 VanDerWaalsContact CD2-O 3.23Å; Y236-T242 WeakPolarHBondContact CD2-O 3.49Å; C237-T242 PolarHBondContact N-O 3.09Å; C237-T242 VanDerWaalsContact N-O 3.16Å; C240-T242 VanDerWaalsContact C-N 3.34Å
243T93.2Very high92.5Very high88 Ų8863.8 Ų63.854%0.5436%0.36SS..EExtended strand (participates in β ladder)trans-91.9144.616754.40000109.9L173 F235 Y236L173-T243 HydrophobicContact CD2-CG2 4.21Å; F235-T243 CarbonylContact O-C 3.37Å; F235-T243 WeakPolarHBondContact O-CA 3.25Å; Y236-T243 HydrophobicContact CD2-CG2 3.68Å; Y236-T243 HydrophobicContact CG-CG2 4.37Å
244Y93.8Very high92.6Very high30 Ų3062.1 Ų62.112%0.11835%0.351CS..  trans-109.4163.5177.3-60.6-93.5000109.8F235 C237 C240 L250 N253 C254F235-Y244 WeakPolarHBondContact CB-O 3.32Å; F235-Y244 VanDerWaalsContact O-CD2 3.3Å; F235-Y244 WeakPolarHBondContact O-CD2 3.47Å; F235-Y244 PolarHBondContact O-N 3.32Å; C237-Y244 HydrophobicContact CB-CE2 3.96Å; C240-Y244 PolarHBondContact SG-OH 3.1Å; C240-Y244 VanDerWaalsContact SG-OH 3.38Å; Y244-L250 HydrophobicContact CD2-CB 4.25Å; Y244-L250 HydrophobicContact CD2-CD1 3.18Å; Y244-L250 HydrophobicContact CD2-CG 4.3Å; Y244-L250 HydrophobicContact CE2-CD1 3.35Å; Y244-L250 HydrophobicContact CG-CB 4.08Å; Y244-L250 HydrophobicContact CG-CD1 3.88Å; Y244-N253 HydrophobicContact CD1-CB 4.22Å; Y244-N253 HydrophobicContact CE1-CB 3.65Å; Y244-C254 HydrophobicContact CE2-CB 4.43Å
245N90.4Very high92.6Very high128 Ų12866 Ų6668%0.68438%0.376SS*.SBendtrans-77-44.5-175.3-59.7-68.9000111.8D249N245-D249 PolarHBondContact N-OD2 2.93Å; N245-D249 PolarHBondContact ND2-OD2 3.15Å
246D92Very high92.4Very high104 Ų10464.5 Ų64.556%0.55637%0.374SS*.SBendtrans-148172.6-175.5-64.1-65000110.9E248 D249 L250D246-E248 VanDerWaalsContact C-N 3.31Å; D246-E248 PolarHBondContact O-N 3.34Å; D246-D249 WeakPolarHBondContact O-CB 3.2Å; D246-D249 PolarHBondContact O-N 3.43Å; D246-D249 VanDerWaalsContact O-N 3.17Å; D246-L250 PolarHBondContact O-N 3Å
247E91.3Very high92.1Very high147 Ų14767 Ų6769%0.68739%0.39SS*.Hα-helixtrans-59-38.1-179.2-169.7173.4-172.200113.1F235 L250 A251F235-E247 HydrophobicContact CE1-CB 3.91Å; E247-L250 PolarHBondContact O-N 2.82Å; E247-A251 WeakPolarHBondContact O-CB 3.42Å; E247-A251 PolarHBondContact O-N 2.83Å
248E91.3Very high91.8Very high166 Ų16669.9 Ų69.978%0.77641%0.407SS*.Hα-helixtrans-67.7-36.5177.9-62.8-175.5177.500112.3D246 A251 S252D246-E248 VanDerWaalsContact C-N 3.31Å; D246-E248 PolarHBondContact O-N 3.34Å; E248-A251 PolarHBondContact O-N 3.18Å; E248-S252 WeakPolarHBondContact O-CB 3.43Å; E248-S252 PolarHBondContact O-N 3.32Å; E248-S252 VanDerWaalsContact O-N 3.09Å; E248-S252 PolarHBondContact O-OG 3.27Å
249D92.1Very high91.6Very high39 Ų3970.4 Ų70.421%0.20941%0.414CS..Hα-helixtrans-67.8-43.9176.8-173.323.4000110.3N245 D246 A251 S252 N253N245-D249 PolarHBondContact N-OD2 2.93Å; N245-D249 PolarHBondContact ND2-OD2 3.15Å; D246-D249 WeakPolarHBondContact O-CB 3.2Å; D246-D249 PolarHBondContact O-N 3.43Å; D246-D249 VanDerWaalsContact O-N 3.17Å; D249-A251 PolarHBondContact O-N 3.03Å; D249-S252 PolarHBondContact O-N 2.92Å; D249-S252 PolarHBondContact O-OG 3.38Å; D249-N253 WeakPolarHBondContact O-CB 3.28Å; D249-N253 PolarHBondContact O-N 3.46Å; D249-N253 PolarHBondContact OD1-ND2 2.96Å
250L91.4Very high91.4Very high10 Ų1071.2 Ų71.25%0.05243%0.431CS..Hα-helixtrans-61.3-44.2174.1179.569.6000112.1R231 C237 Y244 D246 E247 S252 C254R231-L250 HydrophobicContact CB-CD2 3.89Å; R231-L250 HydrophobicContact CG-CD2 4.25Å; R231-L250 WeakPolarHBondContact O-CD2 3.46Å; C237-L250 HydrophobicContact CB-CD1 4.45Å; Y244-L250 HydrophobicContact CD2-CB 4.25Å; Y244-L250 HydrophobicContact CD2-CD1 3.18Å; Y244-L250 HydrophobicContact CD2-CG 4.3Å; Y244-L250 HydrophobicContact CE2-CD1 3.35Å; Y244-L250 HydrophobicContact CG-CB 4.08Å; Y244-L250 HydrophobicContact CG-CD1 3.88Å; D246-L250 PolarHBondContact O-N 3Å; E247-L250 PolarHBondContact O-N 2.82Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.78Å; L250-C254 HydrophobicContact CD1-CB 3.96Å; L250-C254 WeakPolarHBondContact O-CB 3.22Å; L250-C254 PolarHBondContact O-N 2.65Å
251A90.8Very high91.3Very high76 Ų7672.5 Ų72.563%0.62844%0.435SS*.Hα-helixtrans-70.2-29.4-177.600000113.4E247 E248 D249E247-A251 WeakPolarHBondContact O-CB 3.42Å; E247-A251 PolarHBondContact O-N 2.83Å; E248-A251 PolarHBondContact O-N 3.18Å; D249-A251 PolarHBondContact O-N 3.03Å
252S92.9Very high91.2Very high88 Ų8872.6 Ų72.662%0.61542%0.422SS*.Hα-helixtrans-86.8-31.7-179.354.80000113.5E248 D249 L250E248-S252 WeakPolarHBondContact O-CB 3.43Å; E248-S252 PolarHBondContact O-N 3.32Å; E248-S252 VanDerWaalsContact O-N 3.09Å; E248-S252 PolarHBondContact O-OG 3.27Å; D249-S252 PolarHBondContact O-N 2.92Å; D249-S252 PolarHBondContact O-OG 3.38Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.78Å
253N90.8Very high90.5Very high103 Ų10379 Ų7955%0.55145%0.447SS*.Hα-helixtrans-105.8-16.3-172.9-68.8-42.8000114.6Y244 D249Y244-N253 HydrophobicContact CD1-CB 4.22Å; Y244-N253 HydrophobicContact CE1-CB 3.65Å; D249-N253 WeakPolarHBondContact O-CB 3.28Å; D249-N253 PolarHBondContact O-N 3.46Å; D249-N253 PolarHBondContact OD1-ND2 2.96Å
254C93.8Very high90.4Very high12 Ų1278.5 Ų78.58%0.08144%0.443CS..  trans-95.2127.9177.7-167.90000111.7R231 C237 Y244 L250 G256 H262R231-C254 PolarHBondContact NH1-SG 3.22Å; C237-C254 PolarHBondContact SG-SG 2.94Å; Y244-C254 HydrophobicContact CE2-CB 4.43Å; L250-C254 HydrophobicContact CD1-CB 3.96Å; L250-C254 WeakPolarHBondContact O-CB 3.22Å; L250-C254 PolarHBondContact O-N 2.65Å; C254-G256 VanDerWaalsContact C-N 3.31Å; C254-G256 PolarHBondContact O-N 3.37Å; C254-G256 PolarHBondContact SG-O 3.03Å; C254-H262 PolarHBondContact SG-NE2 3.44Å
255P92.4Very high90.2Very high87 Ų8781.1 Ų81.157%0.56546%0.46SS*.  trans-58.5-33.3-179.3-28.234.9000115.8D261P255-D261 HydrophobicContact CB-CB 4.44Å; P255-D261 WeakPolarHBondContact CB-O 3.33Å
256G89.4Confident90.2Very high14 Ų1478.4 Ų78.414%0.14445%0.447CS..  trans-178.6-165177.600000113.1R231 C254 H262R231-G256 PolarHBondContact NH1-O 3.15Å; C254-G256 VanDerWaalsContact C-N 3.31Å; C254-G256 PolarHBondContact O-N 3.37Å; C254-G256 PolarHBondContact SG-O 3.03Å; G256-H262 PolarHBondContact O-CE1 2.76Å
257D88.3Confident90.1Very high87 Ų8776.9 Ų76.947%0.46544%0.441SS..SBendtrans-114.46.2-179.671-22.9000113W239 D261W239-D257 WeakPolarHBondContact CH2-O 3.28Å; W239-D257 WeakPolarHBondContact CZ3-O 3.29Å; D257-D261 PolarHBondContact N-OD2 3.31Å
258T90.1Very high90Very high61 Ų6172.6 Ų72.637%0.37443%0.426SS..SBendtrans-121.6160.6174.274.40000112.4A260 D261 H262T258-A260 PolarHBondContact O-N 2.86Å; T258-D261 WeakPolarHBondContact CB-OD2 3.31Å; T258-D261 PolarHBondContact N-OD2 2.85Å; T258-D261 PolarHBondContact O-N 3.37Å; T258-D261 VanDerWaalsContact OG1-CG 3.25Å; T258-D261 PolarHBondContact OG1-OD2 2.85Å; T258-H262 PolarHBondContact O-CE1 3.21Å; T258-H262 PolarHBondContact O-ND1 2.89Å
259A89.3Confident90Very high31 Ų3166.3 Ų66.326%0.25640%0.402SS..G310 helixtrans-58.3-34.9174.800000112.7W239 D261 H262 E263W239-A259 HydrophobicContact CZ2-CB 4.37Å; W239-A259 VanDerWaalsContact NE1-CB 3.29Å; A259-D261 VanDerWaalsContact C-N 3.29Å; A259-D261 PolarHBondContact O-N 3.4Å; A259-H262 PolarHBondContact O-N 3.13Å; A259-E263 PolarHBondContact O-N 3.23Å
260A89.6Confident89.8Confident67 Ų6768.3 Ų68.355%0.55442%0.416SS*.G310 helixtrans-68-27.7-177.200000113T258 H262T258-A260 PolarHBondContact O-N 2.86Å; A260-H262 PolarHBondContact O-N 3.24Å
261D90.7Very high89.7Confident71 Ų7172.8 Ų72.838%0.3844%0.444SS..G310 helixtrans-71.6-10.1177.7-53.4-48.9000112.6P255 D257 T258 A259P255-D261 HydrophobicContact CB-CB 4.44Å; P255-D261 WeakPolarHBondContact CB-O 3.33Å; D257-D261 PolarHBondContact N-OD2 3.31Å; T258-D261 WeakPolarHBondContact CB-OD2 3.31Å; T258-D261 PolarHBondContact N-OD2 2.85Å; T258-D261 PolarHBondContact O-N 3.37Å; T258-D261 VanDerWaalsContact OG1-CG 3.25Å; T258-D261 PolarHBondContact OG1-OD2 2.85Å; A259-D261 VanDerWaalsContact C-N 3.29Å; A259-D261 PolarHBondContact O-N 3.4Å
262H88.4Confident89.6Confident51 Ų5172.5 Ų72.524%0.23643%0.429CS..G310 helixtrans-119.66.6-175.3-55.181000113.1W239 C240 C254 G256 T258 A259 A260W239-H262 HydrophobicContact CB-CB 3.92Å; W239-H262 AromaticContact CE3-CE1 3.84Å; C240-H262 VanDerWaalsContact SG-CD2 3.56Å; C240-H262 PolarHBondContact SG-NE2 2.95Å; C240-H262 VanDerWaalsContact SG-NE2 3.43Å; C254-H262 PolarHBondContact SG-NE2 3.44Å; G256-H262 PolarHBondContact O-CE1 2.76Å; T258-H262 PolarHBondContact O-CE1 3.21Å; T258-H262 PolarHBondContact O-ND1 2.89Å; A259-H262 PolarHBondContact O-N 3.13Å; A260-H262 PolarHBondContact O-N 3.24Å
263E79.3Confident89.3Confident198 Ų19871.1 Ų71.193%0.92541%0.412SS*.  trans-87.60170-73.4-169.4162.500111.3K158 A259K158-E263 IonicContact NZ-OE1 2.76Å; K158-E263 PolarHBondContact NZ-OE1 3.12Å; A259-E263 PolarHBondContact O-N 3.23Å

Retrieved 263 of 263 residues in 149.8 ms (Link to these results)