G4VDV0_SCHMA Loading...

RYDR_ITPR domain-containing protein

AlphaFold DB , UniProt , Accession G4VDV0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M46.5Very low72.3Confident240 Ų240134.8 Ų134.8100%1.18271%0.711SS**  091.10-169.9163.372.900107.1S3M1-S3 PolarHBondContact O-N 3.17Å
2Q48.1Very low74.1Confident193 Ų193130.8 Ų130.890%0.90268%0.683SS**  trans-70.5113.3171.1-77.5179-8.500106.2M4Q2-M4 PolarHBondContact O-N 3.46Å
3S60.9Low75.6Confident92 Ų92126.6 Ų126.664%0.64366%0.661SS**  trans-54.8119171.950.10000108.3M1 T5M1-S3 PolarHBondContact O-N 3.17Å; S3-T5 PolarHBondContact O-N 3.26Å
4M61.8Low77.1Confident189 Ų189123.5 Ų123.593%0.93164%0.641SS**  trans-62.789.9167.8-90.6177.9-82.800108.3Q2 C6Q2-M4 PolarHBondContact O-N 3.46Å; M4-C6 VanDerWaalsContact C-N 3.34Å; M4-C6 PolarHBondContact O-N 2.91Å; M4-C6 VanDerWaalsContact O-N 3.13Å
5T68.9Low78.4Confident120 Ų120119.1 Ų119.174%0.73662%0.622SS**  trans-76.192.9163.2450000106.4S3 Q7S3-T5 PolarHBondContact O-N 3.26Å; T5-Q7 PolarHBondContact O-N 3.07Å
6C75Confident79.5Confident78 Ų78117.5 Ų117.553%0.52761%0.61SS.*  trans-72.4100.1172-168.80000108M4 D8 C9M4-C6 VanDerWaalsContact C-N 3.34Å; M4-C6 PolarHBondContact O-N 2.91Å; M4-C6 VanDerWaalsContact O-N 3.13Å; C6-D8 VanDerWaalsContact C-N 3.29Å; C6-D8 PolarHBondContact O-N 3.28Å; C6-C9 HydrophobicContact CB-CB 3.9Å; C6-C9 VanDerWaalsContact SG-CA 3.52Å; C6-C9 WeakPolarHBondContact SG-CB 3.37Å; C6-C9 PolarHBondContact SG-N 3.41Å
7Q77.4Confident80.4Confident147 Ų147118.5 Ų118.569%0.68760%0.604SS**THydrogen-bonded Turntrans-63.5-37.4-178.4-171.4164.6-21.700111.5T5 K12T5-Q7 PolarHBondContact O-N 3.07Å; Q7-K12 PolarHBondContact O-NZ 3.36Å
8D81.8Confident81.4Confident116 Ų116119.3 Ų119.362%0.6260%0.6SS**THydrogen-bonded Turntrans-118.832.5-172.6-53.8-48.8000113.4C6C6-D8 VanDerWaalsContact C-N 3.29Å; C6-D8 PolarHBondContact O-N 3.28Å
9C89Confident82.2Confident45 Ų45115.7 Ų115.730%0.30458%0.582SS.*  trans-62.1130.7176.2-172.20000109.8C6 R11 K12 L13C6-C9 HydrophobicContact CB-CB 3.9Å; C6-C9 VanDerWaalsContact SG-CA 3.52Å; C6-C9 WeakPolarHBondContact SG-CB 3.37Å; C6-C9 PolarHBondContact SG-N 3.41Å; C9-R11 PolarHBondContact O-N 3.35Å; C9-R11 VanDerWaalsContact O-N 3.1Å; C9-K12 HydrophobicContact CB-CB 4.06Å; C9-K12 PolarHBondContact O-N 3Å; C9-L13 PolarHBondContact O-N 3.05Å; C9-L13 VanDerWaalsContact O-N 3.1Å
10P91.9Very high82.9Confident107 Ų107118.4 Ų118.470%0.69559%0.589SS**Hα-helixtrans-51.2-39.3178.5-29.835.4000113.6E14P10-E14 WeakPolarHBondContact O-CB 3.31Å; P10-E14 PolarHBondContact O-N 3.17Å
11R93.7Very high83.5Confident156 Ų156116.6 Ų116.659%0.58958%0.579SS**Hα-helixtrans-68.5-38.3179-177.956.8177.2173.11.4113C9 E14 V15C9-R11 PolarHBondContact O-N 3.35Å; C9-R11 VanDerWaalsContact O-N 3.1Å; R11-E14 WeakPolarHBondContact CD-OE2 3.49Å; R11-E14 IonicContact CZ-OE2 3.32Å; R11-E14 VanDerWaalsContact NH1-CD 3.27Å; R11-E14 IonicContact NH1-OE1 2.71Å; R11-E14 PolarHBondContact NH1-OE1 3.42Å; R11-E14 IonicContact NH1-OE2 3.76Å; R11-E14 PolarHBondContact NH1-OE2 3.2Å; R11-E14 PolarHBondContact O-N 3.04Å; R11-V15 WeakPolarHBondContact O-CG2 3.27Å; R11-V15 PolarHBondContact O-N 2.92Å; R11-V15 VanDerWaalsContact O-N 3.09Å
12K93.6Very high85.8Confident87 Ų87108.1 Ų108.138%0.37854%0.537SS..Hα-helixtrans-65-49177.7177.5-176.3163.5-164.80110.2Q7 C9 E14 V15 E16Q7-K12 PolarHBondContact O-NZ 3.36Å; C9-K12 HydrophobicContact CB-CB 4.06Å; C9-K12 PolarHBondContact O-N 3Å; K12-E14 VanDerWaalsContact C-N 3.27Å; K12-E14 PolarHBondContact O-N 3.38Å; K12-V15 PolarHBondContact O-N 3.46Å; K12-V15 VanDerWaalsContact O-N 3.15Å; K12-E16 WeakPolarHBondContact CE-OE1 3.43Å; K12-E16 HydrophobicContact CG-CG 4.43Å; K12-E16 IonicContact NZ-OE1 3.4Å; K12-E16 WeakPolarHBondContact O-CG 3.44Å; K12-E16 PolarHBondContact O-N 2.94Å
13L94.8Very high88.1Confident76 Ų76101.7 Ų101.740%0.39851%0.506SS..Hα-helixtrans-60.8-37.2178-65.1174.3000112.1C9 R17C9-L13 PolarHBondContact O-N 3.05Å; C9-L13 VanDerWaalsContact O-N 3.1Å; L13-R17 VanDerWaalsContact O-CB 3.26Å; L13-R17 WeakPolarHBondContact O-CB 3.38Å; L13-R17 PolarHBondContact O-N 3.5Å
14E96.2Very high89.9Confident83 Ų8399.1 Ų99.139%0.38848%0.484SS..Hα-helixtrans-62.6-45.9174.1-174.5-167.4-177.800112.1P10 R11 K12 R17 Y18P10-E14 WeakPolarHBondContact O-CB 3.31Å; P10-E14 PolarHBondContact O-N 3.17Å; R11-E14 WeakPolarHBondContact CD-OE2 3.49Å; R11-E14 IonicContact CZ-OE2 3.32Å; R11-E14 VanDerWaalsContact NH1-CD 3.27Å; R11-E14 IonicContact NH1-OE1 2.71Å; R11-E14 PolarHBondContact NH1-OE1 3.42Å; R11-E14 IonicContact NH1-OE2 3.76Å; R11-E14 PolarHBondContact NH1-OE2 3.2Å; R11-E14 PolarHBondContact O-N 3.04Å; K12-E14 VanDerWaalsContact C-N 3.27Å; K12-E14 PolarHBondContact O-N 3.38Å; E14-R17 PolarHBondContact O-N 2.94Å; E14-Y18 PolarHBondContact O-N 3.38Å
15V95.9Very high91.5Very high58 Ų5895 Ų9535%0.35247%0.466SS..Hα-helixtrans-67-45.5178.8171.20000111.3R11 K12 R17 Y18 I19R11-V15 WeakPolarHBondContact O-CG2 3.27Å; R11-V15 PolarHBondContact O-N 2.92Å; R11-V15 VanDerWaalsContact O-N 3.09Å; K12-V15 PolarHBondContact O-N 3.46Å; K12-V15 VanDerWaalsContact O-N 3.15Å; V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 2.97Å; V15-Y18 WeakPolarHBondContact O-CB 3.47Å; V15-Y18 PolarHBondContact O-N 3.15Å; V15-Y18 VanDerWaalsContact O-N 3.13Å; V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.44Å; V15-I19 PolarHBondContact O-N 2.86Å
16E95.8Very high92.7Very high93 Ų9393.1 Ų93.144%0.43545%0.449SS..Hα-helixtrans-59.2-41.6176.6-73.7176.3167.100111.4K12 K20K12-E16 WeakPolarHBondContact CE-OE1 3.43Å; K12-E16 HydrophobicContact CG-CG 4.43Å; K12-E16 IonicContact NZ-OE1 3.4Å; K12-E16 WeakPolarHBondContact O-CG 3.44Å; K12-E16 PolarHBondContact O-N 2.94Å; E16-K20 VanDerWaalsContact O-CB 3.28Å; E16-K20 WeakPolarHBondContact O-CB 3.45Å; E16-K20 PolarHBondContact O-N 2.94Å
17R96.2Very high93.7Very high135 Ų13591.2 Ų91.251%0.50943%0.433SS..Hα-helixtrans-62.5-46.2173.6-177.4177.363.3-120.5-2.7111.5L13 E14 V15 K20 E21L13-R17 VanDerWaalsContact O-CB 3.26Å; L13-R17 WeakPolarHBondContact O-CB 3.38Å; L13-R17 PolarHBondContact O-N 3.5Å; E14-R17 PolarHBondContact O-N 2.94Å; V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 2.97Å; R17-K20 PolarHBondContact O-N 3.5Å; R17-E21 VanDerWaalsContact CD-OE1 3.3Å; R17-E21 WeakPolarHBondContact CD-OE1 3.39Å; R17-E21 HydrophobicContact CG-CG 4.1Å; R17-E21 WeakPolarHBondContact CG-OE1 3.42Å; R17-E21 VanDerWaalsContact O-CB 3.3Å; R17-E21 WeakPolarHBondContact O-CB 3.37Å; R17-E21 VanDerWaalsContact O-CG 3.32Å; R17-E21 WeakPolarHBondContact O-CG 3.33Å; R17-E21 PolarHBondContact O-N 3.28Å
18Y97Very high94.7Very high133 Ų13389 Ų8952%0.52243%0.425SS..Hα-helixtrans-60.3-49.3178.6-179.4-90.9000111.9E14 V15 K20 E21 H22 I24E14-Y18 PolarHBondContact O-N 3.38Å; V15-Y18 WeakPolarHBondContact O-CB 3.47Å; V15-Y18 PolarHBondContact O-N 3.15Å; V15-Y18 VanDerWaalsContact O-N 3.13Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 3.27Å; Y18-E21 PolarHBondContact O-N 3Å; Y18-H22 AromaticContact CD2-CD2 3.62Å; Y18-H22 AromaticContact CD2-NE2 3.77Å; Y18-H22 AromaticContact CE2-CD2 3.62Å; Y18-H22 AromaticContact CE2-NE2 3.55Å; Y18-H22 WeakPolarHBondContact O-CB 3.29Å; Y18-H22 PolarHBondContact O-CD2 2.78Å; Y18-H22 VanDerWaalsContact O-CD2 3.23Å; Y18-H22 PolarHBondContact O-N 2.95Å; Y18-I24 HydrophobicContact CE1-CD1 4.39Å; Y18-I24 HydrophobicContact CE1-CG1 4.29Å
19I97.4Very high95.3Very high50 Ų5089.6 Ų89.626%0.25642%0.424SS..Hα-helixtrans-57-48.3178.5-71170.9000110.3V15 K23 I24 D25V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.44Å; V15-I19 PolarHBondContact O-N 2.86Å; I19-K23 WeakPolarHBondContact O-CA 3.28Å; I19-K23 PolarHBondContact O-N 3.4Å; I19-I24 HydrophobicContact CG2-CB 4.25Å; I19-I24 PolarHBondContact O-N 2.99Å; I19-D25 VanDerWaalsContact CG2-OD2 3.31Å; I19-D25 WeakPolarHBondContact CG2-OD2 3.32Å
20K96Very high95.6Very high169 Ų16989.7 Ų89.774%0.73542%0.422SS*.Hα-helixtrans-67.3-47.1-178.9-175.4177.1-179.2177.60113E16 R17 Y18 H22 K23E16-K20 VanDerWaalsContact O-CB 3.28Å; E16-K20 WeakPolarHBondContact O-CB 3.45Å; E16-K20 PolarHBondContact O-N 2.94Å; R17-K20 PolarHBondContact O-N 3.5Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 3.27Å; K20-H22 VanDerWaalsContact C-N 3.27Å; K20-H22 PolarHBondContact O-N 3.39Å; K20-K23 PolarHBondContact O-N 3.17Å
21E95.6Very high95.8Very high81 Ų8185.5 Ų85.538%0.37939%0.393SS..Hα-helixtrans-63.1-36.1-178.9-78.7-174.5-160.100112.3R17 Y18 K137R17-E21 VanDerWaalsContact CD-OE1 3.3Å; R17-E21 WeakPolarHBondContact CD-OE1 3.39Å; R17-E21 HydrophobicContact CG-CG 4.1Å; R17-E21 WeakPolarHBondContact CG-OE1 3.42Å; R17-E21 VanDerWaalsContact O-CB 3.3Å; R17-E21 WeakPolarHBondContact O-CB 3.37Å; R17-E21 VanDerWaalsContact O-CG 3.32Å; R17-E21 WeakPolarHBondContact O-CG 3.33Å; R17-E21 PolarHBondContact O-N 3.28Å; Y18-E21 PolarHBondContact O-N 3Å; E21-K137 WeakPolarHBondContact O-CB 3.35Å; E21-K137 IonicContact OE2-NZ 2.78Å; E21-K137 PolarHBondContact OE2-NZ 3.26Å
22H95.7Very high96Very high62 Ų6279.8 Ų79.829%0.28738%0.38SS..Hα-helixtrans-93.2-1.3-179-69.8-94.7000113.6Y18 K20 I24Y18-H22 AromaticContact CD2-CD2 3.62Å; Y18-H22 AromaticContact CD2-NE2 3.77Å; Y18-H22 AromaticContact CE2-CD2 3.62Å; Y18-H22 AromaticContact CE2-NE2 3.55Å; Y18-H22 WeakPolarHBondContact O-CB 3.29Å; Y18-H22 PolarHBondContact O-CD2 2.78Å; Y18-H22 VanDerWaalsContact O-CD2 3.23Å; Y18-H22 PolarHBondContact O-N 2.95Å; K20-H22 VanDerWaalsContact C-N 3.27Å; K20-H22 PolarHBondContact O-N 3.39Å; H22-I24 VanDerWaalsContact C-N 3.27Å; H22-I24 HydrophobicContact CB-CD1 3.6Å; H22-I24 HydrophobicContact CB-CG1 3.79Å; H22-I24 PolarHBondContact O-N 2.94Å
23K96.1Very high96.1Very high59 Ų5977.8 Ų77.826%0.25738%0.377SS..THydrogen-bonded Turntrans51.643.9-176.9-60.4-177.7174.6-1750112.9I19 K20 D25 E26 M27 S134I19-K23 WeakPolarHBondContact O-CA 3.28Å; I19-K23 PolarHBondContact O-N 3.4Å; K20-K23 PolarHBondContact O-N 3.17Å; K23-D25 PolarHBondContact O-N 3.21Å; K23-E26 VanDerWaalsContact C-OE2 3.23Å; K23-E26 VanDerWaalsContact CA-OE2 3.24Å; K23-E26 WeakPolarHBondContact CA-OE2 3.47Å; K23-M27 VanDerWaalsContact O-CB 3.26Å; K23-M27 WeakPolarHBondContact O-CB 3.25Å; K23-M27 PolarHBondContact O-N 2.64Å; K23-S134 WeakPolarHBondContact CD-O 3.49Å; K23-S134 PolarHBondContact NZ-O 3.26Å
24I97.3Very high96.1Very high37 Ų3774.7 Ų74.719%0.1936%0.361CS..Hα-helixtrans-65-41.7-171.6-60.3-62000111.2Y18 I19 H22 M27 L28Y18-I24 HydrophobicContact CE1-CD1 4.39Å; Y18-I24 HydrophobicContact CE1-CG1 4.29Å; I19-I24 HydrophobicContact CG2-CB 4.25Å; I19-I24 PolarHBondContact O-N 2.99Å; H22-I24 VanDerWaalsContact C-N 3.27Å; H22-I24 HydrophobicContact CB-CD1 3.6Å; H22-I24 HydrophobicContact CB-CG1 3.79Å; H22-I24 PolarHBondContact O-N 2.94Å; I24-M27 HydrophobicContact CD1-CE 3.99Å; I24-M27 PolarHBondContact O-N 2.85Å; I24-L28 HydrophobicContact CG2-CD1 3.9Å; I24-L28 HydrophobicContact CG2-CG 4.3Å; I24-L28 WeakPolarHBondContact O-CB 3.32Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.2Å; I24-L28 PolarHBondContact O-N 3.36Å
25D96.1Very high96.2Very high102 Ų10272.3 Ų72.355%0.54535%0.351SS..Hα-helixtrans-64-46.7-179.1-67.9-30.9000110.8I19 K23 L28 Q29I19-D25 VanDerWaalsContact CG2-OD2 3.31Å; I19-D25 WeakPolarHBondContact CG2-OD2 3.32Å; K23-D25 PolarHBondContact O-N 3.21Å; D25-L28 PolarHBondContact O-N 2.92Å; D25-Q29 VanDerWaalsContact O-CB 3.32Å; D25-Q29 WeakPolarHBondContact O-CB 3.31Å; D25-Q29 PolarHBondContact O-N 3.27Å
26E94.1Very high96.2Very high81 Ų8177 Ų7738%0.37937%0.367SS..Hα-helixtrans-65.9-41.2178.2-58.690.9155.500111.7K23 Q29 N30 T135K23-E26 VanDerWaalsContact C-OE2 3.23Å; K23-E26 VanDerWaalsContact CA-OE2 3.24Å; K23-E26 WeakPolarHBondContact CA-OE2 3.47Å; E26-Q29 PolarHBondContact O-N 2.88Å; E26-N30 WeakPolarHBondContact O-CB 3.29Å; E26-N30 VanDerWaalsContact O-CG 3.24Å; E26-N30 PolarHBondContact O-N 3.25Å; E26-T135 HydrophobicContact CB-CG2 3.6Å
27M96.7Very high96.2Very high39 Ų3979.6 Ų79.619%0.19237%0.374CS..Hα-helixtrans-59.4-50.3176.6-175.7-176.261.900110.8K23 I24 Q29 N30 L31 L51 L54K23-M27 VanDerWaalsContact O-CB 3.26Å; K23-M27 WeakPolarHBondContact O-CB 3.25Å; K23-M27 PolarHBondContact O-N 2.64Å; I24-M27 HydrophobicContact CD1-CE 3.99Å; I24-M27 PolarHBondContact O-N 2.85Å; M27-Q29 PolarHBondContact O-N 3.3Å; M27-N30 PolarHBondContact O-N 3.45Å; M27-L31 HydrophobicContact CG-CD1 4.15Å; M27-L31 WeakPolarHBondContact O-CB 3.39Å; M27-L31 VanDerWaalsContact O-CG 3.28Å; M27-L31 WeakPolarHBondContact O-CG 3.35Å; M27-L31 PolarHBondContact O-N 3.1Å; M27-L51 HydrophobicContact SD-CD2 4.21Å; M27-L54 HydrophobicContact CG-CD1 4.15Å
28L97.3Very high96.2Very high100 Ų10078.2 Ų78.252%0.52437%0.373SS..Hα-helixtrans-65.5-39.6-179.6-68.9177.9000111.6I24 D25 L31 A32I24-L28 HydrophobicContact CG2-CD1 3.9Å; I24-L28 HydrophobicContact CG2-CG 4.3Å; I24-L28 WeakPolarHBondContact O-CB 3.32Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.2Å; I24-L28 PolarHBondContact O-N 3.36Å; D25-L28 PolarHBondContact O-N 2.92Å; L28-L31 PolarHBondContact O-N 3.35Å; L28-A32 VanDerWaalsContact O-CB 3.31Å; L28-A32 WeakPolarHBondContact O-CB 3.33Å; L28-A32 PolarHBondContact O-N 2.68Å
29Q95.4Very high96.2Very high129 Ų12979.1 Ų79.160%0.60338%0.384SS*.Hα-helixtrans-61.6-44.6175-179.1175.2-18.300111.8D25 E26 M27 A32 S33D25-Q29 VanDerWaalsContact O-CB 3.32Å; D25-Q29 WeakPolarHBondContact O-CB 3.31Å; D25-Q29 PolarHBondContact O-N 3.27Å; E26-Q29 PolarHBondContact O-N 2.88Å; M27-Q29 PolarHBondContact O-N 3.3Å; Q29-A32 PolarHBondContact O-N 3.39Å; Q29-S33 VanDerWaalsContact O-CB 3.3Å; Q29-S33 WeakPolarHBondContact O-CB 3.44Å; Q29-S33 PolarHBondContact O-N 2.9Å; Q29-S33 PolarHBondContact O-OG 3.46Å
30N94.6Very high96.2Very high47 Ų4778.3 Ų78.325%0.25138%0.382SS..Hα-helixtrans-64.5-45.6178.6-74.6-8.2000111.4E26 M27 S33 S34 M132 T135E26-N30 WeakPolarHBondContact O-CB 3.29Å; E26-N30 VanDerWaalsContact O-CG 3.24Å; E26-N30 PolarHBondContact O-N 3.25Å; M27-N30 PolarHBondContact O-N 3.45Å; N30-S33 PolarHBondContact O-N 3.45Å; N30-S34 VanDerWaalsContact O-CB 3.29Å; N30-S34 WeakPolarHBondContact O-CB 3.49Å; N30-S34 PolarHBondContact O-N 3.43Å; N30-M132 PolarHBondContact ND2-O 2.72Å; N30-T135 VanDerWaalsContact ND2-CG2 3.31Å; N30-T135 WeakPolarHBondContact ND2-CG2 3.14Å
31L97.1Very high96.4Very high18 Ų1880 Ų809%0.09439%0.393CS..Hα-helixtrans-60.7-47.1177.3-72.7175.9000111.9M27 L28 L35 L47 Q50 L51M27-L31 HydrophobicContact CG-CD1 4.15Å; M27-L31 WeakPolarHBondContact O-CB 3.39Å; M27-L31 VanDerWaalsContact O-CG 3.28Å; M27-L31 WeakPolarHBondContact O-CG 3.35Å; M27-L31 PolarHBondContact O-N 3.1Å; L28-L31 PolarHBondContact O-N 3.35Å; L31-L35 VanDerWaalsContact O-CB 3.29Å; L31-L35 WeakPolarHBondContact O-CB 3.36Å; L31-L35 PolarHBondContact O-N 3.34Å; L31-L47 HydrophobicContact CB-CD2 3.94Å; L31-L47 HydrophobicContact CD2-CD2 4.07Å; L31-L47 HydrophobicContact CG-CD2 4.46Å; L31-Q50 HydrophobicContact CD2-CB 3.48Å; L31-Q50 VanDerWaalsContact CD2-CB 3.48Å; L31-Q50 HydrophobicContact CD2-CG 4.27Å; L31-L51 HydrophobicContact CD1-CD2 3.92Å; L31-L51 HydrophobicContact CD1-CG 4.36Å
32A96.9Very high96.5Very high37 Ų3780.7 Ų80.731%0.30640%0.399SS..Hα-helixtrans-63.6-46.5178.100000111.9L28 Q29 S34 L35 F36L28-A32 VanDerWaalsContact O-CB 3.31Å; L28-A32 WeakPolarHBondContact O-CB 3.33Å; L28-A32 PolarHBondContact O-N 2.68Å; Q29-A32 PolarHBondContact O-N 3.39Å; A32-S34 PolarHBondContact O-N 2.98Å; A32-L35 PolarHBondContact O-N 3.5Å; A32-F36 HydrophobicContact CB-CE2 4.24Å; A32-F36 WeakPolarHBondContact O-CD2 3.38Å; A32-F36 VanDerWaalsContact O-CG 3.32Å; A32-F36 WeakPolarHBondContact O-CG 3.23Å; A32-F36 PolarHBondContact O-N 3.23Å
33S95.1Very high96.6Very high44 Ų4480.5 Ų80.531%0.30840%0.403SS..Hα-helixtrans-61.5-44.6179-56.10000111.4Q29 N30 L35 F36 Y37Q29-S33 VanDerWaalsContact O-CB 3.3Å; Q29-S33 WeakPolarHBondContact O-CB 3.44Å; Q29-S33 PolarHBondContact O-N 2.9Å; Q29-S33 PolarHBondContact O-OG 3.46Å; N30-S33 PolarHBondContact O-N 3.45Å; S33-L35 PolarHBondContact O-N 3.36Å; S33-F36 PolarHBondContact O-N 2.95Å; S33-Y37 WeakPolarHBondContact O-CB 3.34Å; S33-Y37 PolarHBondContact O-N 2.73Å
34S95.3Very high96.7Very high11 Ų1185.6 Ų85.68%0.07743%0.425CS..Hα-helixtrans-64-41.6177.5-157.80000111.9N30 A32 Y37 Q38 Y46N30-S34 VanDerWaalsContact O-CB 3.29Å; N30-S34 WeakPolarHBondContact O-CB 3.49Å; N30-S34 PolarHBondContact O-N 3.43Å; A32-S34 PolarHBondContact O-N 2.98Å; S34-Y37 PolarHBondContact O-N 3.47Å; S34-Q38 WeakPolarHBondContact O-CB 3.35Å; S34-Q38 WeakPolarHBondContact O-CG 3.29Å; S34-Q38 PolarHBondContact O-N 2.91Å; S34-Y46 PolarHBondContact OG-OH 3.46Å
35L97.5Very high96.8Very high34 Ų3487.8 Ų87.818%0.17844%0.435CS..Hα-helixtrans-62.5-45.4176.8-17869.9000112L31 A32 S33 Y37 M39 P40 P43 Y46 L47L31-L35 VanDerWaalsContact O-CB 3.29Å; L31-L35 WeakPolarHBondContact O-CB 3.36Å; L31-L35 PolarHBondContact O-N 3.34Å; A32-L35 PolarHBondContact O-N 3.5Å; S33-L35 PolarHBondContact O-N 3.36Å; L35-Y37 VanDerWaalsContact C-N 3.33Å; L35-M39 WeakPolarHBondContact O-CA 3.38Å; L35-M39 PolarHBondContact O-N 3.5Å; L35-P40 HydrophobicContact CD1-CG 3.61Å; L35-P43 HydrophobicContact CD1-CB 3.76Å; L35-P43 HydrophobicContact CD1-CG 4.44Å; L35-P43 HydrophobicContact CD2-CB 4.43Å; L35-Y46 HydrophobicContact CD1-CD1 3.91Å; L35-L47 HydrophobicContact CB-CD2 4.49Å; L35-L47 HydrophobicContact CD2-CD1 4.35Å
36F97Very high96.9Very high155 Ų15584.5 Ų84.568%0.6842%0.415SS*.Hα-helixtrans-70.1-30.3179.1-64.4-36.5000113.2A32 S33 M39A32-F36 HydrophobicContact CB-CE2 4.24Å; A32-F36 WeakPolarHBondContact O-CD2 3.38Å; A32-F36 VanDerWaalsContact O-CG 3.32Å; A32-F36 WeakPolarHBondContact O-CG 3.23Å; A32-F36 PolarHBondContact O-N 3.23Å; S33-F36 PolarHBondContact O-N 2.95Å; F36-M39 VanDerWaalsContact O-CG 3.25Å; F36-M39 WeakPolarHBondContact O-CG 3.26Å
37Y95.6Very high97.1Very high149 Ų14983.1 Ų83.158%0.58441%0.41SS*.Hα-helixtrans-72.3-46.1174.7178-104.4000112S33 S34 L35 L67S33-Y37 WeakPolarHBondContact O-CB 3.34Å; S33-Y37 PolarHBondContact O-N 2.73Å; S34-Y37 PolarHBondContact O-N 3.47Å; L35-Y37 VanDerWaalsContact C-N 3.33Å; Y37-L67 HydrophobicContact CD1-CD1 3.68Å; Y37-L67 HydrophobicContact CD2-CD1 4.38Å; Y37-L67 HydrophobicContact CE1-CD1 4.47Å; Y37-L67 HydrophobicContact CG-CD1 3.63Å
38Q96.1Very high97.2Very high105 Ų10585.1 Ų85.149%0.49142%0.42SS..Hα-helixtrans-81-28.3-175.6-65.8-64.3-19.300113.4S34 P40 Y46S34-Q38 WeakPolarHBondContact O-CB 3.35Å; S34-Q38 WeakPolarHBondContact O-CG 3.29Å; S34-Q38 PolarHBondContact O-N 2.91Å; Q38-P40 VanDerWaalsContact C-N 3.34Å; Q38-Y46 HydrophobicContact CG-CE2 4.34Å
39M97.4Very high97.2Very high153 Ų15384.2 Ų84.275%0.75441%0.414SS*.  trans4254.7-174.9-60.5-172.7-70.600113.3L35 F36L35-M39 WeakPolarHBondContact O-CA 3.38Å; L35-M39 PolarHBondContact O-N 3.5Å; F36-M39 VanDerWaalsContact O-CG 3.25Å; F36-M39 WeakPolarHBondContact O-CG 3.26Å
40P98Very high97.3Very high33 Ų3379 Ų7921%0.21439%0.39CS..  trans-67.1149.5-175.231-37.3000111.4L35 Q38 N42 P43 Y46L35-P40 HydrophobicContact CD1-CG 3.61Å; Q38-P40 VanDerWaalsContact C-N 3.34Å; P40-N42 PolarHBondContact O-N 2.93Å; P40-P43 WeakPolarHBondContact O-CD 3.3Å; P40-Y46 HydrophobicContact CB-CD2 4.32Å; P40-Y46 HydrophobicContact CB-CG 4.16Å; P40-Y46 HydrophobicContact CG-CD1 3.93Å; P40-Y46 HydrophobicContact CG-CD2 4.22Å; P40-Y46 HydrophobicContact CG-CG 3.65Å
41E98.6Very high97.4Very high204 Ų20480.7 Ų80.795%0.95340%0.398SS*.SBendtrans-59.7-33.6178-173178.3-174.200112.6P43E41-P43 WeakPolarHBondContact O-CD 3.37Å
42N98.4Very high97.4Very high95 Ų9585.5 Ų85.551%0.50842%0.42SS..  trans-118.587.7175-169.8-21.1000111.5P40 K44 Q45 Y46P40-N42 PolarHBondContact O-N 2.93Å; N42-K44 VanDerWaalsContact C-N 3.32Å; N42-K44 PolarHBondContact O-N 2.9Å; N42-K44 PolarHBondContact OD1-N 3.43Å; N42-Q45 HydrophobicContact CB-CB 4.07Å; N42-Q45 VanDerWaalsContact CG-CB 3.47Å; N42-Q45 PolarHBondContact O-N 3.4Å; N42-Q45 PolarHBondContact OD1-N 2.97Å; N42-Q45 VanDerWaalsContact OD1-N 3.17Å; N42-Y46 PolarHBondContact O-N 2.93Å
43P98.4Very high97.4Very high59 Ų5987.8 Ų87.838%0.38343%0.427SS..Hα-helixtrans-55.5-40-178.7-31.738.2000114.8L35 P40 E41 L47L35-P43 HydrophobicContact CD1-CB 3.76Å; L35-P43 HydrophobicContact CD1-CG 4.44Å; L35-P43 HydrophobicContact CD2-CB 4.43Å; P40-P43 WeakPolarHBondContact O-CD 3.3Å; E41-P43 WeakPolarHBondContact O-CD 3.37Å; P43-L47 VanDerWaalsContact O-CG 3.27Å; P43-L47 WeakPolarHBondContact O-CG 3.31Å; P43-L47 PolarHBondContact O-N 3.41Å
44K98.3Very high97.4Very high166 Ų16686.3 Ų86.372%0.72242%0.415SS*.Hα-helixtrans-69.3-45.3-176.6-68.1-179.9-177.5176.20111.2N42 Y46 L47 I48N42-K44 VanDerWaalsContact C-N 3.32Å; N42-K44 PolarHBondContact O-N 2.9Å; N42-K44 PolarHBondContact OD1-N 3.43Å; K44-Y46 VanDerWaalsContact C-N 3.34Å; K44-L47 PolarHBondContact O-N 3.13Å; K44-I48 VanDerWaalsContact O-CG1 3.31Å; K44-I48 WeakPolarHBondContact O-CG1 3.32Å; K44-I48 PolarHBondContact O-N 3.42Å
45Q98.5Very high97.4Very high82 Ų8291.4 Ų91.438%0.38344%0.436SS..Hα-helixtrans-62.1-44.9177.4-1795540.100110.9N42 L47 I48 E49N42-Q45 HydrophobicContact CB-CB 4.07Å; N42-Q45 VanDerWaalsContact CG-CB 3.47Å; N42-Q45 PolarHBondContact O-N 3.4Å; N42-Q45 PolarHBondContact OD1-N 2.97Å; N42-Q45 VanDerWaalsContact OD1-N 3.17Å; Q45-L47 PolarHBondContact O-N 2.94Å; Q45-I48 WeakPolarHBondContact O-CB 3.46Å; Q45-I48 PolarHBondContact O-N 3Å; Q45-I48 VanDerWaalsContact O-N 3.17Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.43Å; Q45-E49 PolarHBondContact NE2-OE1 3.35Å; Q45-E49 PolarHBondContact O-N 2.87Å
46Y98.4Very high97.3Very high33 Ų3390.7 Ų90.713%0.12944%0.435CS..Hα-helixtrans-56.8-47.9175.4177.8-100000112.4S34 L35 Q38 P40 N42 K44 I48 E49 Q50S34-Y46 PolarHBondContact OG-OH 3.46Å; L35-Y46 HydrophobicContact CD1-CD1 3.91Å; Q38-Y46 HydrophobicContact CG-CE2 4.34Å; P40-Y46 HydrophobicContact CB-CD2 4.32Å; P40-Y46 HydrophobicContact CB-CG 4.16Å; P40-Y46 HydrophobicContact CG-CD1 3.93Å; P40-Y46 HydrophobicContact CG-CD2 4.22Å; P40-Y46 HydrophobicContact CG-CG 3.65Å; N42-Y46 PolarHBondContact O-N 2.93Å; K44-Y46 VanDerWaalsContact C-N 3.34Å; Y46-I48 VanDerWaalsContact C-N 3.3Å; Y46-I48 PolarHBondContact O-N 3.45Å; Y46-E49 WeakPolarHBondContact O-CB 3.38Å; Y46-E49 PolarHBondContact O-N 2.89Å; Y46-E49 VanDerWaalsContact O-N 3.15Å; Y46-Q50 HydrophobicContact CD1-CG 4.04Å; Y46-Q50 HydrophobicContact CE1-CG 3.58Å; Y46-Q50 HydrophobicContact CE2-CG 4.28Å; Y46-Q50 WeakPolarHBondContact O-CG 2.85Å; Y46-Q50 PolarHBondContact O-N 3.47Å
47L98.2Very high97.2Very high52 Ų5283.5 Ų83.527%0.27240%0.404SS..Hα-helixtrans-62.8-35.7178.1-71.7173.1000112.7L31 L35 P43 K44 Q45 E49 Q50 L51L31-L47 HydrophobicContact CB-CD2 3.94Å; L31-L47 HydrophobicContact CD2-CD2 4.07Å; L31-L47 HydrophobicContact CG-CD2 4.46Å; L35-L47 HydrophobicContact CB-CD2 4.49Å; L35-L47 HydrophobicContact CD2-CD1 4.35Å; P43-L47 VanDerWaalsContact O-CG 3.27Å; P43-L47 WeakPolarHBondContact O-CG 3.31Å; P43-L47 PolarHBondContact O-N 3.41Å; K44-L47 PolarHBondContact O-N 3.13Å; Q45-L47 PolarHBondContact O-N 2.94Å; L47-E49 VanDerWaalsContact C-N 3.34Å; L47-Q50 PolarHBondContact O-N 3.02Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 3.1Å
48I98.4Very high97.1Very high81 Ų8180.4 Ų80.442%0.41539%0.391SS..Hα-helixtrans-60.7-46.2173.5-70.2164.4000110.1K44 Q45 Y46 Q50 L51 Q52K44-I48 VanDerWaalsContact O-CG1 3.31Å; K44-I48 WeakPolarHBondContact O-CG1 3.32Å; K44-I48 PolarHBondContact O-N 3.42Å; Q45-I48 WeakPolarHBondContact O-CB 3.46Å; Q45-I48 PolarHBondContact O-N 3Å; Q45-I48 VanDerWaalsContact O-N 3.17Å; Y46-I48 VanDerWaalsContact C-N 3.3Å; Y46-I48 PolarHBondContact O-N 3.45Å; I48-Q50 PolarHBondContact O-N 3.1Å; I48-L51 PolarHBondContact O-N 2.98Å; I48-Q52 HydrophobicContact CG2-CG 4.48Å; I48-Q52 WeakPolarHBondContact O-CG 3.3Å; I48-Q52 PolarHBondContact O-N 3.47Å
49E98.1Very high97Very high81 Ų8178 Ų7838%0.37938%0.381SS..Hα-helixtrans-62.6-42.4177.6-70164.2-163.700111.7Q45 Y46 L47 L51 Q52 L53Q45-E49 WeakPolarHBondContact CG-OE1 3.43Å; Q45-E49 PolarHBondContact NE2-OE1 3.35Å; Q45-E49 PolarHBondContact O-N 2.87Å; Y46-E49 WeakPolarHBondContact O-CB 3.38Å; Y46-E49 PolarHBondContact O-N 2.89Å; Y46-E49 VanDerWaalsContact O-N 3.15Å; L47-E49 VanDerWaalsContact C-N 3.34Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.38Å; E49-Q52 WeakPolarHBondContact O-CB 3.49Å; E49-Q52 PolarHBondContact O-N 3.15Å; E49-L53 WeakPolarHBondContact O-CG 3.39Å; E49-L53 PolarHBondContact O-N 3.09Å
50Q97.4Very high96.7Very high21 Ų2177.8 Ų77.810%0.09838%0.379CS..Hα-helixtrans-60.9-41.7175.6-63-49.1-73.700112.1L31 Y46 L47 I48 L53 L54 P65L31-Q50 HydrophobicContact CD2-CB 3.48Å; L31-Q50 VanDerWaalsContact CD2-CB 3.48Å; L31-Q50 HydrophobicContact CD2-CG 4.27Å; Y46-Q50 HydrophobicContact CD1-CG 4.04Å; Y46-Q50 HydrophobicContact CE1-CG 3.58Å; Y46-Q50 HydrophobicContact CE2-CG 4.28Å; Y46-Q50 WeakPolarHBondContact O-CG 2.85Å; Y46-Q50 PolarHBondContact O-N 3.47Å; L47-Q50 PolarHBondContact O-N 3.02Å; I48-Q50 PolarHBondContact O-N 3.1Å; Q50-L53 PolarHBondContact O-N 3.13Å; Q50-L54 PolarHBondContact O-N 2.8Å; Q50-P65 VanDerWaalsContact OE1-CB 3.27Å
51L97.3Very high96.2Very high81 Ų8184.8 Ų84.842%0.42441%0.406SS..Hα-helixtrans-66.9-36176.1-73.1169.5000112.4M27 L31 L47 I48 E49 L54 K55M27-L51 HydrophobicContact SD-CD2 4.21Å; L31-L51 HydrophobicContact CD1-CD2 3.92Å; L31-L51 HydrophobicContact CD1-CG 4.36Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 3.1Å; I48-L51 PolarHBondContact O-N 2.98Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.38Å; L51-L54 PolarHBondContact O-N 3.35Å; L51-K55 WeakPolarHBondContact O-CB 3.45Å; L51-K55 PolarHBondContact O-N 3.02Å
52Q96.9Very high95.8Very high120 Ų12077 Ų7756%0.56138%0.377SS*.Hα-helixtrans-64.5-42.9174-74171.6-23.800111.4I48 E49 K55 A56I48-Q52 HydrophobicContact CG2-CG 4.48Å; I48-Q52 WeakPolarHBondContact O-CG 3.3Å; I48-Q52 PolarHBondContact O-N 3.47Å; E49-Q52 WeakPolarHBondContact O-CB 3.49Å; E49-Q52 PolarHBondContact O-N 3.15Å; Q52-K55 WeakPolarHBondContact O-CB 3.3Å; Q52-K55 PolarHBondContact O-N 3.13Å; Q52-A56 PolarHBondContact O-N 2.82Å
53L96.6Very high95.4Very high85 Ų8578.3 Ų78.345%0.44538%0.38SS..Hα-helixtrans-63.4-42.6175.2-68.3172.1000112.1E49 Q50 K55 A56 S57 P65E49-L53 WeakPolarHBondContact O-CG 3.39Å; E49-L53 PolarHBondContact O-N 3.09Å; Q50-L53 PolarHBondContact O-N 3.13Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 3.46Å; L53-A56 PolarHBondContact O-N 3.39Å; L53-S57 WeakPolarHBondContact O-CB 3.34Å; L53-S57 PolarHBondContact O-N 3.41Å; L53-P65 HydrophobicContact CB-CB 4.47Å; L53-P65 HydrophobicContact CB-CG 4.1Å; L53-P65 HydrophobicContact CD1-CB 4.3Å
54L95.9Very high95.1Very high13 Ų1375.9 Ų75.97%0.06836%0.364CS..Hα-helixtrans-60.9-41.5174-77.7169.6000112.1M27 Q50 L51 S57 R58 P64 P65 A133 Y136M27-L54 HydrophobicContact CG-CD1 4.15Å; Q50-L54 PolarHBondContact O-N 2.8Å; L51-L54 PolarHBondContact O-N 3.35Å; L54-S57 PolarHBondContact O-N 3.45Å; L54-R58 PolarHBondContact O-N 3.4Å; L54-R58 VanDerWaalsContact O-N 3.1Å; L54-P64 HydrophobicContact CD2-CB 4.42Å; L54-P65 HydrophobicContact CD2-CG 4.03Å; L54-P65 HydrophobicContact CG-CG 3.81Å; L54-A133 VanDerWaalsContact CD2-O 3.23Å; L54-A133 WeakPolarHBondContact CD2-O 3.24Å; L54-Y136 HydrophobicContact CD2-CD1 4.43Å
55K95.2Very high94.8Very high117 Ų11769.3 Ų69.351%0.50934%0.338SS..Hα-helixtrans-62.2-46.9175.2176.5177.7160.957.80111.4L51 Q52 L53 S57 R58 D59L51-K55 WeakPolarHBondContact O-CB 3.45Å; L51-K55 PolarHBondContact O-N 3.02Å; Q52-K55 WeakPolarHBondContact O-CB 3.3Å; Q52-K55 PolarHBondContact O-N 3.13Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 3.46Å; K55-S57 VanDerWaalsContact C-N 3.3Å; K55-S57 PolarHBondContact O-N 2.74Å; K55-R58 PolarHBondContact O-N 3.2Å; K55-D59 WeakPolarHBondContact CG-OD2 3.39Å; K55-D59 IonicContact NZ-OD2 2.65Å; K55-D59 PolarHBondContact NZ-OD2 3.26Å; K55-D59 WeakPolarHBondContact O-CB 3.19Å; K55-D59 PolarHBondContact O-N 3.45Å
56A95.4Very high94.5Very high20 Ų2068 Ų6817%0.16534%0.336CS..Hα-helixtrans-62.9-37.3176.800000111.8Q52 L53 R58 D59 E60 F61 A62Q52-A56 PolarHBondContact O-N 2.82Å; L53-A56 PolarHBondContact O-N 3.39Å; A56-R58 VanDerWaalsContact C-N 3.31Å; A56-R58 PolarHBondContact O-N 3.47Å; A56-D59 PolarHBondContact O-N 3.37Å; A56-E60 CarbonylContact O-C 3.51Å; A56-E60 VanDerWaalsContact O-CA 3.3Å; A56-E60 WeakPolarHBondContact O-CA 3.34Å; A56-E60 VanDerWaalsContact O-CB 3.3Å; A56-E60 WeakPolarHBondContact O-CB 3.35Å; A56-E60 PolarHBondContact O-N 2.98Å; A56-F61 PolarHBondContact O-N 3.43Å; A56-A62 HydrophobicContact CB-CB 4.27Å; A56-A62 PolarHBondContact O-N 2.79Å
57S94.1Very high94.2Very high3 Ų369.4 Ų69.42%0.02135%0.345CS..Hα-helixtrans-62.2-38.9175.7-175.40000112.8L53 L54 K55 F61 A62 P64 Y136L53-S57 WeakPolarHBondContact O-CB 3.34Å; L53-S57 PolarHBondContact O-N 3.41Å; L54-S57 PolarHBondContact O-N 3.45Å; K55-S57 VanDerWaalsContact C-N 3.3Å; K55-S57 PolarHBondContact O-N 2.74Å; S57-F61 WeakPolarHBondContact O-CA 3.39Å; S57-F61 PolarHBondContact O-N 3.33Å; S57-A62 WeakPolarHBondContact CA-O 3.41Å; S57-A62 VanDerWaalsContact CB-O 3.24Å; S57-A62 WeakPolarHBondContact CB-O 3.28Å; S57-A62 PolarHBondContact OG-O 2.82Å; S57-P64 WeakPolarHBondContact OG-CB 3.21Å; S57-P64 WeakPolarHBondContact OG-CD 3.24Å; S57-Y136 PolarHBondContact O-OH 3.19Å; S57-Y136 PolarHBondContact OG-OH 2.75Å
58R93.8Very high93.9Very high85 Ų8570.1 Ų70.132%0.32135%0.346SS..Hα-helixtrans-71.7-48.6174.7-173.6-171.468.7-155.9-5.9113L54 K55 A56 Y136 K137 I139L54-R58 PolarHBondContact O-N 3.4Å; L54-R58 VanDerWaalsContact O-N 3.1Å; K55-R58 PolarHBondContact O-N 3.2Å; A56-R58 VanDerWaalsContact C-N 3.31Å; A56-R58 PolarHBondContact O-N 3.47Å; R58-Y136 HydrophobicContact CB-CD1 4.01Å; R58-Y136 HydrophobicContact CB-CD2 3.62Å; R58-Y136 HydrophobicContact CB-CE1 4.11Å; R58-Y136 HydrophobicContact CB-CE2 3.72Å; R58-Y136 HydrophobicContact CB-CG 3.77Å; R58-Y136 HydrophobicContact CG-CD2 3.48Å; R58-Y136 VanDerWaalsContact CG-CD2 3.48Å; R58-Y136 HydrophobicContact CG-CE2 3.81Å; R58-Y136 HydrophobicContact CG-CG 3.97Å; R58-K137 WeakPolarHBondContact CD-O 3.41Å; R58-I139 HydrophobicContact CG-CD1 4.25Å; R58-I139 HydrophobicContact CG-CG1 4.06Å
59D93.8Very high93.5Very high53 Ų5369.2 Ų69.228%0.28334%0.344SS..Hα-helixtrans-88.4-29.9-166.7-63.1-10.3000112.6K55 A56K55-D59 WeakPolarHBondContact CG-OD2 3.39Å; K55-D59 IonicContact NZ-OD2 2.65Å; K55-D59 PolarHBondContact NZ-OD2 3.26Å; K55-D59 WeakPolarHBondContact O-CB 3.19Å; K55-D59 PolarHBondContact O-N 3.45Å; A56-D59 PolarHBondContact O-N 3.37Å
60E91.3Very high93.3Very high150 Ų15069.8 Ų69.870%0.70135%0.347SS*.SBendtrans-120.67.3-172.1-56.3173.9-160.600112.4A56 A62A56-E60 CarbonylContact O-C 3.51Å; A56-E60 VanDerWaalsContact O-CA 3.3Å; A56-E60 WeakPolarHBondContact O-CA 3.34Å; A56-E60 VanDerWaalsContact O-CB 3.3Å; A56-E60 WeakPolarHBondContact O-CB 3.35Å; A56-E60 PolarHBondContact O-N 2.98Å; E60-A62 PolarHBondContact O-N 3.22Å; E60-A62 VanDerWaalsContact O-N 3.13Å
61F86.8Confident93.2Very high180 Ų18073.8 Ų73.879%0.78937%0.369SS*.  trans56.423.7-176.7-55.2-84.3000114.3A56 S57A56-F61 PolarHBondContact O-N 3.43Å; S57-F61 WeakPolarHBondContact O-CA 3.39Å; S57-F61 PolarHBondContact O-N 3.33Å
62A90.1Very high93Very high40 Ų4072.5 Ų72.533%0.33136%0.363SS..PPolyproline II helixtrans-64.4163172.300000111.5A56 S57 E60A56-A62 HydrophobicContact CB-CB 4.27Å; A56-A62 PolarHBondContact O-N 2.79Å; S57-A62 WeakPolarHBondContact CA-O 3.41Å; S57-A62 VanDerWaalsContact CB-O 3.24Å; S57-A62 WeakPolarHBondContact CB-O 3.28Å; S57-A62 PolarHBondContact OG-O 2.82Å; E60-A62 PolarHBondContact O-N 3.22Å; E60-A62 VanDerWaalsContact O-N 3.13Å
63E90.2Very high93Very high122 Ų12266.8 Ų66.857%0.5734%0.336SS*.PPolyproline II helixtrans-70.7131.8173.2-68.5-56.8144.500110.4K130E63-K130 IonicContact OE1-NZ 3.79Å; E63-K130 PolarHBondContact OE1-NZ 2.98Å; E63-K130 WeakPolarHBondContact OE2-CD 3.31Å; E63-K130 WeakPolarHBondContact OE2-CE 3.47Å; E63-K130 IonicContact OE2-NZ 2.72Å; E63-K130 PolarHBondContact OE2-NZ 2.74Å
64P92.5Very high93Very high8 Ų866.2 Ų66.25%0.05233%0.331CS..PPolyproline II helixtrans-70.7154.5178.231.2-35.4000110.6L54 S57 T66 K130 A133L54-P64 HydrophobicContact CD2-CB 4.42Å; S57-P64 WeakPolarHBondContact OG-CB 3.21Å; S57-P64 WeakPolarHBondContact OG-CD 3.24Å; P64-T66 PolarHBondContact O-N 3.02Å; P64-K130 HydrophobicContact CG-CG 4.32Å; P64-A133 HydrophobicContact CB-CB 3.74Å; P64-A133 HydrophobicContact CG-CB 3.59Å
65P92.4Very high93.1Very high28 Ų2868.1 Ų68.118%0.18234%0.344CS..PPolyproline II helixtrans-65.8122.817427.4-32.4000110.2Q50 L53 L54 A133Q50-P65 VanDerWaalsContact OE1-CB 3.27Å; L53-P65 HydrophobicContact CB-CB 4.47Å; L53-P65 HydrophobicContact CB-CG 4.1Å; L53-P65 HydrophobicContact CD1-CB 4.3Å; L54-P65 HydrophobicContact CD2-CG 4.03Å; L54-P65 HydrophobicContact CG-CG 3.81Å; P65-A133 WeakPolarHBondContact O-CB 3.32Å
66T91.3Very high93.1Very high55 Ų5564 Ų6434%0.33733%0.327SS..  trans-113.6141.8177.263.50000110.7P64 F68 L129 A133P64-T66 PolarHBondContact O-N 3.02Å; T66-F68 WeakPolarHBondContact CB-O 3.3Å; T66-F68 PolarHBondContact OG1-O 2.92Å; T66-L129 HydrophobicContact CG2-CB 4.42Å; T66-A133 HydrophobicContact CG2-CB 3.48Å; T66-A133 VanDerWaalsContact CG2-CB 3.48Å
67L91.5Very high93.2Very high62 Ų6263.1 Ų63.133%0.32532%0.319SS..SBendtrans-70.5-45.2171.2177.763.9000111.1Y37Y37-L67 HydrophobicContact CD1-CD1 3.68Å; Y37-L67 HydrophobicContact CD2-CD1 4.38Å; Y37-L67 HydrophobicContact CE1-CD1 4.47Å; Y37-L67 HydrophobicContact CG-CD1 3.63Å
68F91.9Very high93.4Very high68 Ų6866.5 Ų66.530%0.29834%0.337SS..SBendtrans-93.3137.4174.6-65.2-69.6000110.3T66 N72 L100 L129T66-F68 WeakPolarHBondContact CB-O 3.3Å; T66-F68 PolarHBondContact OG1-O 2.92Å; F68-N72 HydrophobicContact CD1-CB 4.36Å; F68-L100 HydrophobicContact CB-CD2 3.78Å; F68-L100 HydrophobicContact CD1-CD2 3.77Å; F68-L100 HydrophobicContact CD2-CD2 4.09Å; F68-L100 HydrophobicContact CE1-CD2 4.36Å; F68-L100 HydrophobicContact CG-CD2 3.61Å; F68-L129 HydrophobicContact CB-CD1 4.39Å; F68-L129 HydrophobicContact CB-CD2 3.76Å
69T91.7Very high93.5Very high61 Ų6169.2 Ų69.237%0.37436%0.355SS..  trans-101.8163.7176.265.20000111N71 N72 A73T69-N71 PolarHBondContact O-N 3.06Å; T69-N71 PolarHBondContact OG1-N 3.03Å; T69-N72 PolarHBondContact N-OD1 3.49Å; T69-N72 WeakPolarHBondContact O-CB 3.3Å; T69-N72 PolarHBondContact O-N 3.41Å; T69-N72 VanDerWaalsContact OG1-CG 3.26Å; T69-N72 PolarHBondContact OG1-N 2.84Å; T69-N72 VanDerWaalsContact OG1-N 3.17Å; T69-N72 PolarHBondContact OG1-OD1 2.98Å; T69-A73 PolarHBondContact O-N 3.28Å; T69-A73 VanDerWaalsContact O-N 3.11Å
70E93.1Very high93.6Very high94 Ų9468.7 Ų68.744%0.43935%0.352SS..Hα-helixtrans-56.6-34.7170.9-57.7-168.7173.700112A73 E74 M122 K126E70-A73 WeakPolarHBondContact O-CB 3.11Å; E70-A73 PolarHBondContact O-N 3.38Å; E70-E74 PolarHBondContact O-N 3.32Å; E70-M122 HydrophobicContact CB-CE 4.29Å; E70-K126 VanDerWaalsContact CD-CE 3.44Å; E70-K126 VanDerWaalsContact CD-NZ 3.33Å; E70-K126 HydrophobicContact CG-CG 3.97Å; E70-K126 VanDerWaalsContact OE1-CD 3.28Å; E70-K126 WeakPolarHBondContact OE1-CD 3.49Å; E70-K126 VanDerWaalsContact OE1-CG 3.32Å; E70-K126 WeakPolarHBondContact OE1-CG 3.28Å; E70-K126 IonicContact OE1-NZ 2.64Å; E70-K126 PolarHBondContact OE1-NZ 2.97Å; E70-K126 WeakPolarHBondContact OE2-CE 3.39Å; E70-K126 IonicContact OE2-NZ 3.4Å; E70-K126 PolarHBondContact OE2-NZ 3.48Å
71N95.2Very high93.8Very high105 Ų10562 Ų6256%0.56132%0.321SS*.Hα-helixtrans-66.8-35.8176-177.467.5000112.3T69 A73 T75T69-N71 PolarHBondContact O-N 3.06Å; T69-N71 PolarHBondContact OG1-N 3.03Å; N71-A73 VanDerWaalsContact C-N 3.35Å; N71-T75 WeakPolarHBondContact O-CB 3.26Å; N71-T75 PolarHBondContact O-N 3.17Å; N71-T75 PolarHBondContact O-OG1 2.87Å
72N94.4Very high94.2Very high53 Ų5358 Ų5828%0.28331%0.313SS..Hα-helixtrans-63.6-43.8172.4-59.8123.3000110.7F68 T69 T75 I76F68-N72 HydrophobicContact CD1-CB 4.36Å; T69-N72 PolarHBondContact N-OD1 3.49Å; T69-N72 WeakPolarHBondContact O-CB 3.3Å; T69-N72 PolarHBondContact O-N 3.41Å; T69-N72 VanDerWaalsContact OG1-CG 3.26Å; T69-N72 PolarHBondContact OG1-N 2.84Å; T69-N72 VanDerWaalsContact OG1-N 3.17Å; T69-N72 PolarHBondContact OG1-OD1 2.98Å; N72-T75 WeakPolarHBondContact O-CB 3.47Å; N72-T75 PolarHBondContact O-N 3.03Å; N72-I76 WeakPolarHBondContact O-CG1 3.11Å; N72-I76 PolarHBondContact O-N 2.97Å
73A95.8Very high94.4Very high0 Ų060.5 Ų60.50%033%0.327CS..Hα-helixtrans-61.3-47.3176.900000112.3T69 E70 N71 T75 I76 F77 L100 Y121 M122 V125T69-A73 PolarHBondContact O-N 3.28Å; T69-A73 VanDerWaalsContact O-N 3.11Å; E70-A73 WeakPolarHBondContact O-CB 3.11Å; E70-A73 PolarHBondContact O-N 3.38Å; N71-A73 VanDerWaalsContact C-N 3.35Å; A73-T75 VanDerWaalsContact C-N 3.28Å; A73-T75 PolarHBondContact O-N 3.48Å; A73-I76 PolarHBondContact O-N 3.39Å; A73-F77 PolarHBondContact O-N 3Å; A73-L100 HydrophobicContact CB-CD1 4.02Å; A73-Y121 HydrophobicContact CB-CE1 4.24Å; A73-Y121 WeakPolarHBondContact O-CE1 3.48Å; A73-Y121 PolarHBondContact O-OH 3.31Å; A73-Y121 VanDerWaalsContact O-OH 3.14Å; A73-M122 HydrophobicContact CB-CE 4.37Å; A73-M122 HydrophobicContact CB-SD 4.3Å; A73-V125 HydrophobicContact CB-CB 4.34Å; A73-V125 HydrophobicContact CB-CG1 3.49Å; A73-V125 VanDerWaalsContact CB-CG1 3.49Å
74E97.1Very high94.6Very high74 Ų7463.2 Ų63.235%0.34634%0.337SS..Hα-helixtrans-60.6-39.8176.5177.5166.1-158.100111.8E70 F77 N78 K118 M122E70-E74 PolarHBondContact O-N 3.32Å; E74-F77 WeakPolarHBondContact O-CB 3.47Å; E74-F77 PolarHBondContact O-N 2.71Å; E74-N78 PolarHBondContact O-N 3.42Å; E74-N78 PolarHBondContact O-ND2 3.46Å; E74-K118 WeakPolarHBondContact OE1-CE 3.42Å; E74-K118 IonicContact OE1-NZ 2.74Å; E74-K118 PolarHBondContact OE1-NZ 2.94Å; E74-M122 HydrophobicContact CB-CE 4.13Å; E74-M122 HydrophobicContact CB-SD 4.15Å
75T97.2Very high94.8Very high53 Ų5369.5 Ų69.533%0.32536%0.364SS..Hα-helixtrans-61.7-46.3175.8-61.20000111.3N71 N72 A73 F77 N78 M79N71-T75 WeakPolarHBondContact O-CB 3.26Å; N71-T75 PolarHBondContact O-N 3.17Å; N71-T75 PolarHBondContact O-OG1 2.87Å; N72-T75 WeakPolarHBondContact O-CB 3.47Å; N72-T75 PolarHBondContact O-N 3.03Å; A73-T75 VanDerWaalsContact C-N 3.28Å; A73-T75 PolarHBondContact O-N 3.48Å; T75-F77 VanDerWaalsContact C-N 3.33Å; T75-F77 PolarHBondContact O-N 3.25Å; T75-N78 PolarHBondContact O-N 2.73Å; T75-M79 HydrophobicContact CG2-CE 3.65Å; T75-M79 HydrophobicContact CG2-SD 4.34Å; T75-M79 WeakPolarHBondContact O-CG 3.33Å; T75-M79 PolarHBondContact O-N 3.11Å
76I96.6Very high95Very high31 Ų3172.8 Ų72.816%0.15938%0.38CS..Hα-helixtrans-59.1-45.7175.7-70165.8000110.4N72 A73 N78 M79 L80 A96 T99 L100N72-I76 WeakPolarHBondContact O-CG1 3.11Å; N72-I76 PolarHBondContact O-N 2.97Å; A73-I76 PolarHBondContact O-N 3.39Å; I76-N78 PolarHBondContact O-N 2.66Å; I76-M79 WeakPolarHBondContact O-CB 3.25Å; I76-M79 PolarHBondContact O-N 3.45Å; I76-L80 HydrophobicContact CG2-CD1 3.86Å; I76-L80 WeakPolarHBondContact O-CG 3.38Å; I76-L80 PolarHBondContact O-N 3.49Å; I76-L80 VanDerWaalsContact O-N 3.1Å; I76-A96 HydrophobicContact CG2-CB 3.88Å; I76-T99 HydrophobicContact CD1-CG2 4.24Å; I76-L100 HydrophobicContact CD1-CD1 4.29Å; I76-L100 HydrophobicContact CD1-CD2 3.74Å; I76-L100 HydrophobicContact CD1-CG 3.88Å
77F97Very high95.2Very high0 Ų071.7 Ų71.70%037%0.374CS..Hα-helixtrans-57.2-49.9176.6-175.3-83.9000111.9A73 E74 T75 M79 L80 D81 I88 K118 Y121A73-F77 PolarHBondContact O-N 3Å; E74-F77 WeakPolarHBondContact O-CB 3.47Å; E74-F77 PolarHBondContact O-N 2.71Å; T75-F77 VanDerWaalsContact C-N 3.33Å; T75-F77 PolarHBondContact O-N 3.25Å; F77-M79 PolarHBondContact O-N 3.19Å; F77-L80 CarbonylContact O-C 3.54Å; F77-L80 WeakPolarHBondContact O-CA 3.28Å; F77-L80 PolarHBondContact O-N 2.98Å; F77-D81 HydrophobicContact CD1-CB 4.38Å; F77-D81 HydrophobicContact CE1-CB 3.9Å; F77-D81 HydrophobicContact CZ-CB 4.48Å; F77-D81 PolarHBondContact O-N 3.25Å; F77-I88 HydrophobicContact CD2-CD1 3.86Å; F77-I88 HydrophobicContact CD2-CG1 4.31Å; F77-I88 HydrophobicContact CD2-CG2 4.26Å; F77-I88 HydrophobicContact CE1-CG2 4.44Å; F77-I88 HydrophobicContact CE2-CB 4.36Å; F77-I88 HydrophobicContact CE2-CD1 3.88Å; F77-I88 HydrophobicContact CE2-CG1 3.8Å; F77-I88 HydrophobicContact CE2-CG2 3.83Å; F77-I88 HydrophobicContact CZ-CG2 3.92Å; F77-K118 HydrophobicContact CD1-CB 4.14Å; F77-K118 HydrophobicContact CD1-CD 3.69Å; F77-K118 HydrophobicContact CD1-CG 3.69Å; F77-K118 HydrophobicContact CD2-CB 4.48Å; F77-K118 HydrophobicContact CD2-CG 4.3Å; F77-K118 HydrophobicContact CE1-CB 3.57Å; F77-K118 HydrophobicContact CE1-CD 3.73Å; F77-K118 HydrophobicContact CE1-CG 3.65Å; F77-K118 VanDerWaalsContact CE2-CA 3.46Å; F77-K118 HydrophobicContact CE2-CB 3.93Å; F77-K118 HydrophobicContact CE2-CG 4.23Å; F77-K118 HydrophobicContact CG-CD 4.44Å; F77-K118 HydrophobicContact CG-CG 4.03Å; F77-K118 VanDerWaalsContact CZ-CA 3.44Å; F77-K118 HydrophobicContact CZ-CB 3.44Å; F77-K118 VanDerWaalsContact CZ-CB 3.44Å; F77-K118 HydrophobicContact CZ-CD 4.46Å; F77-K118 HydrophobicContact CZ-CG 3.93Å; F77-Y121 HydrophobicContact CB-CD1 3.9Å; F77-Y121 HydrophobicContact CB-CE1 3.65Å; F77-Y121 AromaticContact CD2-CD1 3.48Å; F77-Y121 HydrophobicContact CD2-CD1 3.48Å; F77-Y121 VanDerWaalsContact CD2-CD1 3.48Å; F77-Y121 HydrophobicContact CD2-CD2 4.43Å; F77-Y121 HydrophobicContact CD2-CE1 4.06Å; F77-Y121 AromaticContact CD2-CG 3.69Å; F77-Y121 HydrophobicContact CD2-CG 3.69Å; F77-Y121 HydrophobicContact CE2-CD1 4.42Å; F77-Y121 HydrophobicContact CE2-CG 4.33Å; F77-Y121 HydrophobicContact CG-CD1 4.04Å; F77-Y121 HydrophobicContact CG-CE1 4.3Å
78N96.8Very high95.4Very high74 Ų7468.7 Ų68.740%0.39636%0.359SS..Hα-helixtrans-63-31.3-178.4-64.8-26.1000111.9E74 T75 I76 L80 D81 K118E74-N78 PolarHBondContact O-N 3.42Å; E74-N78 PolarHBondContact O-ND2 3.46Å; T75-N78 PolarHBondContact O-N 2.73Å; I76-N78 PolarHBondContact O-N 2.66Å; N78-L80 VanDerWaalsContact C-N 3.33Å; N78-D81 CarbonylContact O-C 3.5Å; N78-K118 PolarHBondContact OD1-NZ 2.96Å
79M96.9Very high95.4Very high142 Ų14267.1 Ų67.170%0.736%0.355SS*.Hα-helixtrans-68.1-32.9172.3-70.5174.5176.500112.4T75 I76 F77T75-M79 HydrophobicContact CG2-CE 3.65Å; T75-M79 HydrophobicContact CG2-SD 4.34Å; T75-M79 WeakPolarHBondContact O-CG 3.33Å; T75-M79 PolarHBondContact O-N 3.11Å; I76-M79 WeakPolarHBondContact O-CB 3.25Å; I76-M79 PolarHBondContact O-N 3.45Å; F77-M79 PolarHBondContact O-N 3.19Å
80L95.9Very high95.3Very high42 Ų4265.7 Ų65.722%0.2235%0.347CS..Hα-helixtrans-85.2-14.9179.6-64.1171.1000113.4I76 F77 N78 P82 I88 R92 A96I76-L80 HydrophobicContact CG2-CD1 3.86Å; I76-L80 WeakPolarHBondContact O-CG 3.38Å; I76-L80 PolarHBondContact O-N 3.49Å; I76-L80 VanDerWaalsContact O-N 3.1Å; F77-L80 CarbonylContact O-C 3.54Å; F77-L80 WeakPolarHBondContact O-CA 3.28Å; F77-L80 PolarHBondContact O-N 2.98Å; N78-L80 VanDerWaalsContact C-N 3.33Å; L80-P82 VanDerWaalsContact O-CD 3.26Å; L80-P82 WeakPolarHBondContact O-CD 3.32Å; L80-I88 HydrophobicContact CB-CG2 3.89Å; L80-I88 HydrophobicContact CD1-CD1 4.37Å; L80-R92 HydrophobicContact CB-CB 4.4Å; L80-R92 HydrophobicContact CD1-CB 4.35Å; L80-R92 HydrophobicContact CD2-CB 4.22Å; L80-R92 HydrophobicContact CD2-CG 4.4Å; L80-R92 PolarHBondContact O-NH1 3.42Å; L80-A96 HydrophobicContact CD1-CB 3.64Å
81D96.4Very high95.1Very high10 Ų1065.7 Ų65.75%0.05335%0.351CS..  trans-114.867.9173.9-177.421000112.3F77 N78 C83 K84 K85 N86 I88F77-D81 HydrophobicContact CD1-CB 4.38Å; F77-D81 HydrophobicContact CE1-CB 3.9Å; F77-D81 HydrophobicContact CZ-CB 4.48Å; F77-D81 PolarHBondContact O-N 3.25Å; N78-D81 CarbonylContact O-C 3.5Å; D81-C83 PolarHBondContact O-N 3.04Å; D81-C83 VanDerWaalsContact O-N 3.15Å; D81-K84 PolarHBondContact O-N 2.65Å; D81-K84 PolarHBondContact OD1-N 3.4Å; D81-K84 VanDerWaalsContact OD1-N 3.17Å; D81-K84 VanDerWaalsContact OD2-C 3.27Å; D81-K84 VanDerWaalsContact OD2-CA 3.31Å; D81-K84 WeakPolarHBondContact OD2-CA 3.35Å; D81-K85 VanDerWaalsContact CG-N 3.26Å; D81-K85 PolarHBondContact OD1-N 2.89Å; D81-K85 PolarHBondContact OD2-N 3.04Å; D81-N86 WeakPolarHBondContact OD2-CA 3.42Å; D81-N86 PolarHBondContact OD2-N 3.36Å; D81-I88 HydrophobicContact CB-CG2 3.79Å
82P94.3Very high94.9Very high95 Ų9565.4 Ų65.462%0.61734%0.342SS*.THydrogen-bonded Turntrans-64-24.1-176.926.8-36000113.3L80 K84L80-P82 VanDerWaalsContact O-CD 3.26Å; L80-P82 WeakPolarHBondContact O-CD 3.32Å; P82-K84 VanDerWaalsContact C-N 3.31Å
83C94.6Very high94.8Very high94 Ų9463.1 Ų63.164%0.63533%0.329SS*.THydrogen-bonded Turntrans-86.90.5178.7-62.50000113.2D81 K85D81-C83 PolarHBondContact O-N 3.04Å; D81-C83 VanDerWaalsContact O-N 3.15Å; C83-K85 VanDerWaalsContact C-N 3.27Å; C83-K85 HydrophobicContact CB-CD 4.37Å; C83-K85 HydrophobicContact CB-CG 4Å; C83-K85 PolarHBondContact O-N 3.44Å
84K95Very high94.5Very high178 Ų17868 Ų6877%0.77435%0.352SS*.  trans53.542-178.9-55.4-177.5179.9-178.80113D81 P82 N86D81-K84 PolarHBondContact O-N 2.65Å; D81-K84 PolarHBondContact OD1-N 3.4Å; D81-K84 VanDerWaalsContact OD1-N 3.17Å; D81-K84 VanDerWaalsContact OD2-C 3.27Å; D81-K84 VanDerWaalsContact OD2-CA 3.31Å; D81-K84 WeakPolarHBondContact OD2-CA 3.35Å; P82-K84 VanDerWaalsContact C-N 3.31Å; K84-N86 PolarHBondContact O-N 2.78Å
85K95.9Very high94.2Very high141 Ų14169.4 Ų69.461%0.61336%0.358SS*.  trans-75.1-9.3175.9-66.3-178178.4-177.90112.9D81 C83 S87D81-K85 VanDerWaalsContact CG-N 3.26Å; D81-K85 PolarHBondContact OD1-N 2.89Å; D81-K85 PolarHBondContact OD2-N 3.04Å; C83-K85 VanDerWaalsContact C-N 3.27Å; C83-K85 HydrophobicContact CB-CD 4.37Å; C83-K85 HydrophobicContact CB-CG 4Å; C83-K85 PolarHBondContact O-N 3.44Å; K85-S87 PolarHBondContact O-N 2.95Å
86N96.7Very high94Very high96 Ų9666.9 Ų66.951%0.51334%0.343SS..SBendtrans55.827.2-167.1-67.7-55.9000112.9D81 K84 S117 K118D81-N86 WeakPolarHBondContact OD2-CA 3.42Å; D81-N86 PolarHBondContact OD2-N 3.36Å; K84-N86 PolarHBondContact O-N 2.78Å; N86-S117 WeakPolarHBondContact O-CA 3.19Å; N86-K118 HydrophobicContact CB-CB 4.41Å; N86-K118 PolarHBondContact O-N 3.43Å
87S95.8Very high93.8Very high32 Ų3265.7 Ų65.722%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-149.7148.3173.363.90000111.5K85 I116K85-S87 PolarHBondContact O-N 2.95Å; S87-I116 CarbonylContact C-O 3.52Å; S87-I116 WeakPolarHBondContact CA-O 3.39Å; S87-I116 WeakPolarHBondContact CB-O 3.25Å
88I94.5Very high93.5Very high0 Ų069.4 Ų69.40%035%0.354CS..EExtended strand (participates in β ladder)trans-126.4145.3177.359.3179.1000110.5F77 L80 D81 R92 F115 I116F77-I88 HydrophobicContact CD2-CD1 3.86Å; F77-I88 HydrophobicContact CD2-CG1 4.31Å; F77-I88 HydrophobicContact CD2-CG2 4.26Å; F77-I88 HydrophobicContact CE1-CG2 4.44Å; F77-I88 HydrophobicContact CE2-CB 4.36Å; F77-I88 HydrophobicContact CE2-CD1 3.88Å; F77-I88 HydrophobicContact CE2-CG1 3.8Å; F77-I88 HydrophobicContact CE2-CG2 3.83Å; F77-I88 HydrophobicContact CZ-CG2 3.92Å; L80-I88 HydrophobicContact CB-CG2 3.89Å; L80-I88 HydrophobicContact CD1-CD1 4.37Å; D81-I88 HydrophobicContact CB-CG2 3.79Å; I88-R92 HydrophobicContact CB-CB 4.35Å; I88-F115 CarbonylContact O-C 3.55Å; I88-F115 WeakPolarHBondContact O-CA 3.4Å; I88-I116 PolarHBondContact N-O 2.95Å; I88-I116 PolarHBondContact O-N 3.22Å
89P92.4Very high93.3Very high35 Ų3570 Ų7023%0.22736%0.361CS..EExtended strand (participates in β ladder)trans-55.5153.2169.1-28.536.6000113.5D91 R92 Y93 E114 F115P89-D91 VanDerWaalsContact C-N 3.34Å; P89-D91 WeakPolarHBondContact CB-OD1 3.43Å; P89-D91 PolarHBondContact O-N 3.28Å; P89-R92 PolarHBondContact O-N 2.88Å; P89-R92 VanDerWaalsContact O-N 3.16Å; P89-Y93 PolarHBondContact O-N 3.25Å; P89-E114 WeakPolarHBondContact CA-O 3.32Å; P89-F115 HydrophobicContact CG-CD1 4.1Å; P89-F115 HydrophobicContact CG-CE1 3.72Å
90S89Confident93Very high30 Ų3063.6 Ų63.621%0.2133%0.329CS..Hα-helixtrans-63.6-30.8-174.3-63.80000115Y93 Q94 L109 D113 E114S90-Y93 WeakPolarHBondContact O-CB 3.47Å; S90-Y93 PolarHBondContact O-N 2.88Å; S90-Q94 PolarHBondContact O-N 3.12Å; S90-L109 WeakPolarHBondContact OG-CD1 3.35Å; S90-D113 PolarHBondContact OG-O 3.34Å; S90-E114 PolarHBondContact N-O 3.4Å; S90-E114 PolarHBondContact OG-O 3.28Å
91D89.2Confident92.7Very high95 Ų9563.5 Ų63.551%0.50834%0.338SS..Hα-helixtrans-64.9-44.3172.864.1-33.7000111.7P89 Q94 H95P89-D91 VanDerWaalsContact C-N 3.34Å; P89-D91 WeakPolarHBondContact CB-OD1 3.43Å; P89-D91 PolarHBondContact O-N 3.28Å; D91-Q94 PolarHBondContact O-N 2.89Å; D91-H95 PolarHBondContact O-CD2 3.27Å; D91-H95 PolarHBondContact O-N 3.01Å
92R92.3Very high92.3Very high98 Ų9863 Ų6337%0.3734%0.336SS..Hα-helixtrans-66.2-39.4175.2-62.9-169.2-172176.1-2111.9L80 I88 P89 H95 A96L80-R92 HydrophobicContact CB-CB 4.4Å; L80-R92 HydrophobicContact CD1-CB 4.35Å; L80-R92 HydrophobicContact CD2-CB 4.22Å; L80-R92 HydrophobicContact CD2-CG 4.4Å; L80-R92 PolarHBondContact O-NH1 3.42Å; I88-R92 HydrophobicContact CB-CB 4.35Å; P89-R92 PolarHBondContact O-N 2.88Å; P89-R92 VanDerWaalsContact O-N 3.16Å; R92-H95 PolarHBondContact O-N 3.35Å; R92-A96 WeakPolarHBondContact O-CB 3.34Å; R92-A96 PolarHBondContact O-N 3.27Å
93Y91.5Very high91.4Very high6 Ų662.3 Ų62.32%0.02433%0.326CS..Hα-helixtrans-57.9-49.4173.3167.9-103.6000111.1P89 S90 H95 A96 L97 L109 I116 Y121P89-Y93 PolarHBondContact O-N 3.25Å; S90-Y93 WeakPolarHBondContact O-CB 3.47Å; S90-Y93 PolarHBondContact O-N 2.88Å; Y93-H95 PolarHBondContact O-N 2.8Å; Y93-A96 WeakPolarHBondContact O-CB 3.38Å; Y93-A96 PolarHBondContact O-N 3.46Å; Y93-L97 HydrophobicContact CD1-CD1 4.39Å; Y93-L97 HydrophobicContact CE1-CD1 3.69Å; Y93-L97 HydrophobicContact CE1-CG 4.34Å; Y93-L97 HydrophobicContact CE2-CD1 4.11Å; Y93-L97 HydrophobicContact CE2-CD2 4Å; Y93-L97 HydrophobicContact CE2-CG 4.13Å; Y93-L97 WeakPolarHBondContact O-CG 3.35Å; Y93-L97 PolarHBondContact O-N 2.93Å; Y93-L109 HydrophobicContact CD1-CD1 3.51Å; Y93-L109 HydrophobicContact CD1-CG 4.28Å; Y93-L109 HydrophobicContact CE1-CD1 3.74Å; Y93-L109 HydrophobicContact CE1-CD2 4.31Å; Y93-L109 HydrophobicContact CE1-CG 4Å; Y93-L109 HydrophobicContact CG-CD1 4.43Å; Y93-I116 HydrophobicContact CD1-CG1 4.1Å; Y93-I116 HydrophobicContact CD2-CB 4.11Å; Y93-I116 HydrophobicContact CD2-CG1 4.13Å; Y93-I116 HydrophobicContact CD2-CG2 3.77Å; Y93-I116 HydrophobicContact CE2-CG2 3.94Å; Y93-I116 HydrophobicContact CG-CB 4.23Å; Y93-I116 HydrophobicContact CG-CG1 3.81Å; Y93-I116 HydrophobicContact CG-CG2 4.33Å; Y93-Y121 AromaticContact CD2-CD2 3.77Å; Y93-Y121 HydrophobicContact CD2-CD2 3.77Å; Y93-Y121 AromaticContact CE2-CD2 3.97Å; Y93-Y121 HydrophobicContact CE2-CD2 3.97Å
94Q89.6Confident90Very high102 Ų10266.4 Ų66.448%0.47734%0.336SS..Hα-helixtrans-58.1-49.9177.1-177.6179.1-24.300111.2S90 D91 A96 L97 E98 L103S90-Q94 PolarHBondContact O-N 3.12Å; D91-Q94 PolarHBondContact O-N 2.89Å; Q94-A96 VanDerWaalsContact C-N 3.26Å; Q94-A96 PolarHBondContact O-N 3.21Å; Q94-L97 WeakPolarHBondContact O-CB 3.29Å; Q94-L97 PolarHBondContact O-N 3.14Å; Q94-E98 HydrophobicContact CG-CG 4.38Å; Q94-E98 PolarHBondContact NE2-OE1 3.31Å; Q94-E98 WeakPolarHBondContact O-CG 3.42Å; Q94-E98 PolarHBondContact O-N 3.14Å; Q94-L103 HydrophobicContact CG-CD2 4.27Å
95H90.3Very high88.3Confident103 Ų10359.3 Ų59.348%0.47731%0.309SS..Hα-helixtrans-59.2-35.1177.4-71.8-42.8000113.6D91 R92 Y93 E98 T99D91-H95 PolarHBondContact O-CD2 3.27Å; D91-H95 PolarHBondContact O-N 3.01Å; R92-H95 PolarHBondContact O-N 3.35Å; Y93-H95 PolarHBondContact O-N 2.8Å; H95-E98 IonicContact CE1-OE2 3.75Å; H95-E98 IonicContact CG-OE2 3.96Å; H95-E98 IonicContact ND1-OE2 2.91Å; H95-E98 PolarHBondContact ND1-OE2 3.44Å; H95-E98 PolarHBondContact O-N 3.17Å; H95-T99 WeakPolarHBondContact O-CB 3.46Å; H95-T99 PolarHBondContact O-N 2.9Å; H95-T99 PolarHBondContact O-OG1 3.41Å
96A93.4Very high86.4Confident1 Ų153.4 Ų53.41%0.00829%0.288CS..Hα-helixtrans-64.4-42.7174.300000111.5I76 L80 R92 Y93 Q94 T99 L100 Y121I76-A96 HydrophobicContact CG2-CB 3.88Å; L80-A96 HydrophobicContact CD1-CB 3.64Å; R92-A96 WeakPolarHBondContact O-CB 3.34Å; R92-A96 PolarHBondContact O-N 3.27Å; Y93-A96 WeakPolarHBondContact O-CB 3.38Å; Y93-A96 PolarHBondContact O-N 3.46Å; Q94-A96 VanDerWaalsContact C-N 3.26Å; Q94-A96 PolarHBondContact O-N 3.21Å; A96-T99 PolarHBondContact O-N 2.95Å; A96-L100 WeakPolarHBondContact O-CG 3.45Å; A96-L100 PolarHBondContact O-N 3.48Å; A96-L100 VanDerWaalsContact O-N 3.17Å; A96-Y121 HydrophobicContact CB-CE2 3.58Å
97L92.8Very high84.5Confident6 Ų656.6 Ų56.63%0.03130%0.297CS..Hα-helixtrans-67.1-37176.1-60-170000112.3Y93 Q94 L100 G101 V102 L103 Y121 V124 V125Y93-L97 HydrophobicContact CD1-CD1 4.39Å; Y93-L97 HydrophobicContact CE1-CD1 3.69Å; Y93-L97 HydrophobicContact CE1-CG 4.34Å; Y93-L97 HydrophobicContact CE2-CD1 4.11Å; Y93-L97 HydrophobicContact CE2-CD2 4Å; Y93-L97 HydrophobicContact CE2-CG 4.13Å; Y93-L97 WeakPolarHBondContact O-CG 3.35Å; Y93-L97 PolarHBondContact O-N 2.93Å; Q94-L97 WeakPolarHBondContact O-CB 3.29Å; Q94-L97 PolarHBondContact O-N 3.14Å; L97-L100 PolarHBondContact O-N 2.98Å; L97-G101 PolarHBondContact O-N 2.79Å; L97-V102 HydrophobicContact CB-CG2 3.9Å; L97-V102 HydrophobicContact CD2-CG2 3.56Å; L97-V102 HydrophobicContact CG-CG2 4.24Å; L97-V102 PolarHBondContact O-N 2.98Å; L97-L103 HydrophobicContact CB-CD2 3.82Å; L97-L103 HydrophobicContact CB-CG 4.41Å; L97-Y121 HydrophobicContact CD2-CD2 4.48Å; L97-Y121 HydrophobicContact CD2-CE2 4.32Å; L97-V124 HydrophobicContact CD1-CG1 4.39Å; L97-V124 HydrophobicContact CD2-CG1 4.16Å; L97-V125 HydrophobicContact CD2-CG2 3.78Å
98E90.9Very high82.7Confident77 Ų7761.8 Ų61.836%0.3633%0.327SS..Hα-helixtrans-61.2-49.1175.2-67.3173.1171.100110.6Q94 H95 L100 G101 L103Q94-E98 HydrophobicContact CG-CG 4.38Å; Q94-E98 PolarHBondContact NE2-OE1 3.31Å; Q94-E98 WeakPolarHBondContact O-CG 3.42Å; Q94-E98 PolarHBondContact O-N 3.14Å; H95-E98 IonicContact CE1-OE2 3.75Å; H95-E98 IonicContact CG-OE2 3.96Å; H95-E98 IonicContact ND1-OE2 2.91Å; H95-E98 PolarHBondContact ND1-OE2 3.44Å; H95-E98 PolarHBondContact O-N 3.17Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 3.14Å; E98-G101 PolarHBondContact O-N 2.97Å; E98-L103 HydrophobicContact CB-CD1 4.12Å; E98-L103 HydrophobicContact CB-CD2 4.24Å; E98-L103 HydrophobicContact CB-CG 4.31Å; E98-L103 HydrophobicContact CG-CD1 3.5Å; E98-L103 HydrophobicContact CG-CD2 3.33Å; E98-L103 HydrophobicContact CG-CG 3.74Å
99T91.2Very high81Confident88 Ų8863.7 Ų63.754%0.5434%0.337SS..Hα-helixtrans-59.4-38.4180-58.60000112.1I76 H95 A96 G101I76-T99 HydrophobicContact CD1-CG2 4.24Å; H95-T99 WeakPolarHBondContact O-CB 3.46Å; H95-T99 PolarHBondContact O-N 2.9Å; H95-T99 PolarHBondContact O-OG1 3.41Å; A96-T99 PolarHBondContact O-N 2.95Å; T99-G101 VanDerWaalsContact C-N 3.34Å
100L92.1Very high79.2Confident6 Ų667.5 Ų67.53%0.03136%0.356CS..THydrogen-bonded Turntrans-84.7-6.7179.6-71.9168.9000113.5F68 A73 I76 A96 L97 E98 V102 Y121 V125F68-L100 HydrophobicContact CB-CD2 3.78Å; F68-L100 HydrophobicContact CD1-CD2 3.77Å; F68-L100 HydrophobicContact CD2-CD2 4.09Å; F68-L100 HydrophobicContact CE1-CD2 4.36Å; F68-L100 HydrophobicContact CG-CD2 3.61Å; A73-L100 HydrophobicContact CB-CD1 4.02Å; I76-L100 HydrophobicContact CD1-CD1 4.29Å; I76-L100 HydrophobicContact CD1-CD2 3.74Å; I76-L100 HydrophobicContact CD1-CG 3.88Å; A96-L100 WeakPolarHBondContact O-CG 3.45Å; A96-L100 PolarHBondContact O-N 3.48Å; A96-L100 VanDerWaalsContact O-N 3.17Å; L97-L100 PolarHBondContact O-N 2.98Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 3.14Å; L100-V102 VanDerWaalsContact C-N 3.3Å; L100-V102 HydrophobicContact CB-CG1 4.32Å; L100-V102 HydrophobicContact CB-CG2 3.95Å; L100-V102 PolarHBondContact O-N 2.93Å; L100-Y121 VanDerWaalsContact CD1-OH 3.29Å; L100-Y121 WeakPolarHBondContact CD1-OH 3.46Å; L100-V125 HydrophobicContact CD1-CG1 3.75Å; L100-V125 HydrophobicContact CD1-CG2 3.87Å
101G88.7Confident77.6Confident40 Ų4071.9 Ų71.941%0.41239%0.386SS..THydrogen-bonded Turntrans69.920.5-176.900000114.7L97 E98 T99L97-G101 PolarHBondContact O-N 2.79Å; E98-G101 PolarHBondContact O-N 2.97Å; T99-G101 VanDerWaalsContact C-N 3.34Å
102V88.4Confident76.1Confident0 Ų075.5 Ų75.50%040%0.398CS..  trans-105.214.2-174.1-620000113.9L97 L100 Q104 C105 V125 L129L97-V102 HydrophobicContact CB-CG2 3.9Å; L97-V102 HydrophobicContact CD2-CG2 3.56Å; L97-V102 HydrophobicContact CG-CG2 4.24Å; L97-V102 PolarHBondContact O-N 2.98Å; L100-V102 VanDerWaalsContact C-N 3.3Å; L100-V102 HydrophobicContact CB-CG1 4.32Å; L100-V102 HydrophobicContact CB-CG2 3.95Å; L100-V102 PolarHBondContact O-N 2.93Å; V102-Q104 PolarHBondContact O-N 2.72Å; V102-Q104 VanDerWaalsContact O-N 3.14Å; V102-C105 WeakPolarHBondContact O-CB 3.43Å; V102-C105 PolarHBondContact O-N 3.2Å; V102-V125 HydrophobicContact CG2-CG2 4.34Å; V102-L129 HydrophobicContact CG1-CD2 3.88Å; V102-L129 HydrophobicContact CG1-CG 4.19Å
103L75.3Confident74.9Confident80 Ų8075.1 Ų75.142%0.41940%0.403SS..G310 helixtrans-51.2-40.5-176.8-72.4164.9000113.9Q94 L97 E98 C105 G106Q94-L103 HydrophobicContact CG-CD2 4.27Å; L97-L103 HydrophobicContact CB-CD2 3.82Å; L97-L103 HydrophobicContact CB-CG 4.41Å; E98-L103 HydrophobicContact CB-CD1 4.12Å; E98-L103 HydrophobicContact CB-CD2 4.24Å; E98-L103 HydrophobicContact CB-CG 4.31Å; E98-L103 HydrophobicContact CG-CD1 3.5Å; E98-L103 HydrophobicContact CG-CD2 3.33Å; E98-L103 HydrophobicContact CG-CG 3.74Å; L103-C105 PolarHBondContact O-N 3.36Å; L103-G106 PolarHBondContact O-N 3.41Å
104Q65.7Low74.6Confident180 Ų18081.9 Ų81.984%0.84144%0.435SS*.G310 helixtrans-70.2-11.9-176.5-62.1-17513.800113.2V102V102-Q104 PolarHBondContact O-N 2.72Å; V102-Q104 VanDerWaalsContact O-N 3.14Å
105C58.1Low74.6Confident29 Ų2982 Ų8220%0.19643%0.434CS..G310 helixtrans-97.9-14.1179.1-57.40000112.5V102 L103 G128 Q131V102-C105 WeakPolarHBondContact O-CB 3.43Å; V102-C105 PolarHBondContact O-N 3.2Å; L103-C105 PolarHBondContact O-N 3.36Å; C105-G128 WeakPolarHBondContact SG-CA 3.43Å; C105-Q131 PolarHBondContact SG-OE1 3.48Å
106G56.5Low74.7Confident17 Ų1777.4 Ų77.418%0.17541%0.413CS..SBendtrans-74.8133.9176.800000111L103 V108L103-G106 PolarHBondContact O-N 3.41Å; G106-V108 PolarHBondContact O-N 2.85Å
107K56.8Low74.7Confident163 Ų16380 Ų8071%0.70943%0.43SS*.  trans-57.4128.8158.1-70.1-177.4178.5179.30107L109K107-L109 PolarHBondContact O-N 3.48Å
108V57.4Low74.9Confident142 Ų14281.2 Ų81.286%0.86144%0.436SS*.  trans-54114.8160.9178.50000105G106 D110G106-V108 PolarHBondContact O-N 2.85Å; V108-D110 PolarHBondContact O-N 3.08Å
109L58.6Low75.1Confident40 Ų4083.3 Ų83.321%0.20945%0.449CS..  trans-61.3127.7177.2-64170.6000106.9S90 Y93 K107 I116S90-L109 WeakPolarHBondContact OG-CD1 3.35Å; Y93-L109 HydrophobicContact CD1-CD1 3.51Å; Y93-L109 HydrophobicContact CD1-CG 4.28Å; Y93-L109 HydrophobicContact CE1-CD1 3.74Å; Y93-L109 HydrophobicContact CE1-CD2 4.31Å; Y93-L109 HydrophobicContact CE1-CG 4Å; Y93-L109 HydrophobicContact CG-CD1 4.43Å; K107-L109 PolarHBondContact O-N 3.48Å; L109-I116 HydrophobicContact CD1-CD1 3.49Å; L109-I116 VanDerWaalsContact CD1-CD1 3.49Å; L109-I116 HydrophobicContact CD1-CG1 3.68Å; L109-I116 HydrophobicContact CD2-CD1 3.38Å; L109-I116 HydrophobicContact CD2-CG1 4.33Å; L109-I116 HydrophobicContact CG-CD1 4.05Å
110D55.2Low75.2Confident115 Ų11582.3 Ų82.362%0.61544%0.439SS*.  trans-59.3142.1165-126.2-6.1000106.4V108 K112 D113V108-D110 PolarHBondContact O-N 3.08Å; D110-K112 PolarHBondContact O-N 3.29Å; D110-D113 PolarHBondContact O-N 2.87Å
111S56.3Low75.2Confident121 Ų12182 Ų8285%0.84644%0.438SS*.THydrogen-bonded Turntrans-57.20.6-174.557.80000115.6
112K58.2Low75.5Confident172 Ų17281.1 Ų81.175%0.74842%0.423SS*.THydrogen-bonded Turntrans-88-24.2-178.3-62.5-178.2-179.3174.40113.8D110 E114D110-K112 PolarHBondContact O-N 3.29Å; K112-E114 PolarHBondContact O-N 2.95Å
113D66.9Low75.8Confident90 Ų9085.8 Ų85.848%0.48145%0.448SS..  trans-8896.9178.6-67.1-30.3000109.1S90 D110 F115 I116S90-D113 PolarHBondContact OG-O 3.34Å; D110-D113 PolarHBondContact O-N 2.87Å; D113-F115 VanDerWaalsContact C-N 3.27Å; D113-I116 HydrophobicContact CB-CD1 4.16Å
114E84.3Confident76.6Confident148 Ų14882.7 Ų82.769%0.69243%0.432SS*.SBendtrans-70.2-26.9174.8-72.8-174.5172.900112.3P89 S90 K112P89-E114 WeakPolarHBondContact CA-O 3.32Å; S90-E114 PolarHBondContact N-O 3.4Å; S90-E114 PolarHBondContact OG-O 3.28Å; K112-E114 PolarHBondContact O-N 2.95Å
115F90.5Very high77.9Confident104 Ų10474.1 Ų74.146%0.45639%0.392SS..EExtended strand (participates in β ladder)trans-137.2139.8-175.4-65.4-91.7000111.9I88 P89 D113I88-F115 CarbonylContact O-C 3.55Å; I88-F115 WeakPolarHBondContact O-CA 3.4Å; P89-F115 HydrophobicContact CG-CD1 4.1Å; P89-F115 HydrophobicContact CG-CE1 3.72Å; D113-F115 VanDerWaalsContact C-N 3.27Å
116I91.8Very high79.6Confident7 Ų776.7 Ų76.74%0.03640%0.4CS..EExtended strand (participates in β ladder)trans-108.8127.9177.1-54.9-56000109.7S87 I88 Y93 L109 D113 M120S87-I116 CarbonylContact C-O 3.52Å; S87-I116 WeakPolarHBondContact CA-O 3.39Å; S87-I116 WeakPolarHBondContact CB-O 3.25Å; I88-I116 PolarHBondContact N-O 2.95Å; I88-I116 PolarHBondContact O-N 3.22Å; Y93-I116 HydrophobicContact CD1-CG1 4.1Å; Y93-I116 HydrophobicContact CD2-CB 4.11Å; Y93-I116 HydrophobicContact CD2-CG1 4.13Å; Y93-I116 HydrophobicContact CD2-CG2 3.77Å; Y93-I116 HydrophobicContact CE2-CG2 3.94Å; Y93-I116 HydrophobicContact CG-CB 4.23Å; Y93-I116 HydrophobicContact CG-CG1 3.81Å; Y93-I116 HydrophobicContact CG-CG2 4.33Å; L109-I116 HydrophobicContact CD1-CD1 3.49Å; L109-I116 VanDerWaalsContact CD1-CD1 3.49Å; L109-I116 HydrophobicContact CD1-CG1 3.68Å; L109-I116 HydrophobicContact CD2-CD1 3.38Å; L109-I116 HydrophobicContact CD2-CG1 4.33Å; L109-I116 HydrophobicContact CG-CD1 4.05Å; D113-I116 HydrophobicContact CB-CD1 4.16Å; I116-M120 HydrophobicContact CG2-CB 4.05Å; I116-M120 HydrophobicContact CG2-CG 4.02Å
117S94.1Very high81.2Confident54 Ų5480.1 Ų80.138%0.37842%0.418SS..EExtended strand (participates in β ladder)trans-69.8154176.269.20000111.6N86 D119 M120 Y121N86-S117 WeakPolarHBondContact O-CA 3.19Å; S117-D119 VanDerWaalsContact C-N 3.26Å; S117-D119 PolarHBondContact O-N 3.32Å; S117-M120 PolarHBondContact O-N 3.1Å; S117-M120 WeakPolarHBondContact OG-CB 3.44Å; S117-M120 PolarHBondContact OG-N 2.95Å; S117-Y121 PolarHBondContact O-N 2.92Å
118K95.8Very high82.9Confident33 Ų3372.3 Ų72.314%0.14338%0.384CS..Hα-helixtrans-54.1-44.3174.3-170.1169.1176.9173.50112E74 F77 N78 N86 M120 Y121 M122E74-K118 WeakPolarHBondContact OE1-CE 3.42Å; E74-K118 IonicContact OE1-NZ 2.74Å; E74-K118 PolarHBondContact OE1-NZ 2.94Å; F77-K118 HydrophobicContact CD1-CB 4.14Å; F77-K118 HydrophobicContact CD1-CD 3.69Å; F77-K118 HydrophobicContact CD1-CG 3.69Å; F77-K118 HydrophobicContact CD2-CB 4.48Å; F77-K118 HydrophobicContact CD2-CG 4.3Å; F77-K118 HydrophobicContact CE1-CB 3.57Å; F77-K118 HydrophobicContact CE1-CD 3.73Å; F77-K118 HydrophobicContact CE1-CG 3.65Å; F77-K118 VanDerWaalsContact CE2-CA 3.46Å; F77-K118 HydrophobicContact CE2-CB 3.93Å; F77-K118 HydrophobicContact CE2-CG 4.23Å; F77-K118 HydrophobicContact CG-CD 4.44Å; F77-K118 HydrophobicContact CG-CG 4.03Å; F77-K118 VanDerWaalsContact CZ-CA 3.44Å; F77-K118 HydrophobicContact CZ-CB 3.44Å; F77-K118 VanDerWaalsContact CZ-CB 3.44Å; F77-K118 HydrophobicContact CZ-CD 4.46Å; F77-K118 HydrophobicContact CZ-CG 3.93Å; N78-K118 PolarHBondContact OD1-NZ 2.96Å; N86-K118 HydrophobicContact CB-CB 4.41Å; N86-K118 PolarHBondContact O-N 3.43Å; K118-M120 PolarHBondContact O-N 3.41Å; K118-Y121 PolarHBondContact O-N 3.06Å; K118-M122 HydrophobicContact CG-CG 4.26Å; K118-M122 WeakPolarHBondContact O-CB 3.49Å; K118-M122 VanDerWaalsContact O-CG 3.25Å; K118-M122 WeakPolarHBondContact O-CG 3.32Å; K118-M122 PolarHBondContact O-N 3.18Å
119D95.3Very high84.6Confident121 Ų12166.2 Ų66.265%0.64735%0.346SS*.Hα-helixtrans-62.9-44-179.4-64.4-25.1000112.2S117 M122 N123S117-D119 VanDerWaalsContact C-N 3.26Å; S117-D119 PolarHBondContact O-N 3.32Å; D119-M122 PolarHBondContact O-N 3.27Å; D119-N123 WeakPolarHBondContact O-CB 3.47Å; D119-N123 PolarHBondContact O-N 3.28Å; D119-N123 PolarHBondContact O-ND2 2.91Å
120M92.4Very high86.2Confident66 Ų6668.3 Ų68.333%0.32535%0.354SS..Hα-helixtrans-64.2-45.9177.1-18058.8-17600111I116 S117 K118 M122 N123 V124I116-M120 HydrophobicContact CG2-CB 4.05Å; I116-M120 HydrophobicContact CG2-CG 4.02Å; S117-M120 PolarHBondContact O-N 3.1Å; S117-M120 WeakPolarHBondContact OG-CB 3.44Å; S117-M120 PolarHBondContact OG-N 2.95Å; K118-M120 PolarHBondContact O-N 3.41Å; M120-M122 PolarHBondContact O-N 3.33Å; M120-N123 PolarHBondContact O-N 3.24Å; M120-V124 HydrophobicContact CE-CG2 3.77Å; M120-V124 WeakPolarHBondContact O-CG2 3.41Å; M120-V124 PolarHBondContact O-N 3.02Å; M120-V124 VanDerWaalsContact O-N 3.08Å; M120-V124 HydrophobicContact SD-CG2 4.33Å
121Y93.2Very high87.9Confident0 Ų067.7 Ų67.70%035%0.347CS..Hα-helixtrans-55.4-51.6174.4166.8-97000111.7A73 F77 Y93 A96 L97 L100 S117 K118 N123 V124 V125A73-Y121 HydrophobicContact CB-CE1 4.24Å; A73-Y121 WeakPolarHBondContact O-CE1 3.48Å; A73-Y121 PolarHBondContact O-OH 3.31Å; A73-Y121 VanDerWaalsContact O-OH 3.14Å; F77-Y121 HydrophobicContact CB-CD1 3.9Å; F77-Y121 HydrophobicContact CB-CE1 3.65Å; F77-Y121 AromaticContact CD2-CD1 3.48Å; F77-Y121 HydrophobicContact CD2-CD1 3.48Å; F77-Y121 VanDerWaalsContact CD2-CD1 3.48Å; F77-Y121 HydrophobicContact CD2-CD2 4.43Å; F77-Y121 HydrophobicContact CD2-CE1 4.06Å; F77-Y121 AromaticContact CD2-CG 3.69Å; F77-Y121 HydrophobicContact CD2-CG 3.69Å; F77-Y121 HydrophobicContact CE2-CD1 4.42Å; F77-Y121 HydrophobicContact CE2-CG 4.33Å; F77-Y121 HydrophobicContact CG-CD1 4.04Å; F77-Y121 HydrophobicContact CG-CE1 4.3Å; Y93-Y121 AromaticContact CD2-CD2 3.77Å; Y93-Y121 HydrophobicContact CD2-CD2 3.77Å; Y93-Y121 AromaticContact CE2-CD2 3.97Å; Y93-Y121 HydrophobicContact CE2-CD2 3.97Å; A96-Y121 HydrophobicContact CB-CE2 3.58Å; L97-Y121 HydrophobicContact CD2-CD2 4.48Å; L97-Y121 HydrophobicContact CD2-CE2 4.32Å; L100-Y121 VanDerWaalsContact CD1-OH 3.29Å; L100-Y121 WeakPolarHBondContact CD1-OH 3.46Å; S117-Y121 PolarHBondContact O-N 2.92Å; K118-Y121 PolarHBondContact O-N 3.06Å; Y121-N123 VanDerWaalsContact C-N 3.33Å; Y121-N123 PolarHBondContact O-N 3.19Å; Y121-V124 PolarHBondContact O-N 2.94Å; Y121-V125 HydrophobicContact CD1-CG2 4.49Å; Y121-V125 HydrophobicContact CD2-CG2 3.99Å; Y121-V125 HydrophobicContact CE1-CG2 4.11Å; Y121-V125 HydrophobicContact CE2-CG2 3.58Å; Y121-V125 HydrophobicContact CG-CG2 4.45Å; Y121-V125 WeakPolarHBondContact O-CG2 3.43Å; Y121-V125 PolarHBondContact O-N 3.03Å
122M95.4Very high89.5Confident22 Ų2265.3 Ų65.311%0.10832%0.324CS..Hα-helixtrans-62-41-178.8-70-55.2-64.800111.5E70 A73 E74 K118 D119 M120 V124 V125 K126E70-M122 HydrophobicContact CB-CE 4.29Å; A73-M122 HydrophobicContact CB-CE 4.37Å; A73-M122 HydrophobicContact CB-SD 4.3Å; E74-M122 HydrophobicContact CB-CE 4.13Å; E74-M122 HydrophobicContact CB-SD 4.15Å; K118-M122 HydrophobicContact CG-CG 4.26Å; K118-M122 WeakPolarHBondContact O-CB 3.49Å; K118-M122 VanDerWaalsContact O-CG 3.25Å; K118-M122 WeakPolarHBondContact O-CG 3.32Å; K118-M122 PolarHBondContact O-N 3.18Å; D119-M122 PolarHBondContact O-N 3.27Å; M120-M122 PolarHBondContact O-N 3.33Å; M122-V124 PolarHBondContact O-N 2.97Å; M122-V125 PolarHBondContact O-N 3.46Å; M122-K126 WeakPolarHBondContact O-CB 3.39Å; M122-K126 WeakPolarHBondContact O-CG 3.46Å; M122-K126 PolarHBondContact O-N 3.33Å
123N93.6Very high91.2Very high97 Ų9757.3 Ų57.352%0.51929%0.29SS..Hα-helixtrans-62.3-43.6178-74.3-24.5000112.7D119 M120 Y121 T127D119-N123 WeakPolarHBondContact O-CB 3.47Å; D119-N123 PolarHBondContact O-N 3.28Å; D119-N123 PolarHBondContact O-ND2 2.91Å; M120-N123 PolarHBondContact O-N 3.24Å; Y121-N123 VanDerWaalsContact C-N 3.33Å; Y121-N123 PolarHBondContact O-N 3.19Å; N123-T127 PolarHBondContact O-N 3.25Å; N123-T127 PolarHBondContact O-OG1 3.2Å
124V92.1Very high92.5Very high15 Ų1553.9 Ų53.99%0.09127%0.272CS..Hα-helixtrans-64.1-47.1176.41720000110.5L97 M120 Y121 M122 T127 G128L97-V124 HydrophobicContact CD1-CG1 4.39Å; L97-V124 HydrophobicContact CD2-CG1 4.16Å; M120-V124 HydrophobicContact CE-CG2 3.77Å; M120-V124 WeakPolarHBondContact O-CG2 3.41Å; M120-V124 PolarHBondContact O-N 3.02Å; M120-V124 VanDerWaalsContact O-N 3.08Å; M120-V124 HydrophobicContact SD-CG2 4.33Å; Y121-V124 PolarHBondContact O-N 2.94Å; M122-V124 PolarHBondContact O-N 2.97Å; V124-T127 PolarHBondContact O-N 3.26Å; V124-G128 PolarHBondContact O-N 3.17Å
125V93.6Very high93Very high1 Ų147 Ų471%0.00624%0.24CC..Hα-helixtrans-65.2-45.8-177.9172.20000112A73 L97 L100 V102 Y121 M122 T127 G128 L129A73-V125 HydrophobicContact CB-CB 4.34Å; A73-V125 HydrophobicContact CB-CG1 3.49Å; A73-V125 VanDerWaalsContact CB-CG1 3.49Å; L97-V125 HydrophobicContact CD2-CG2 3.78Å; L100-V125 HydrophobicContact CD1-CG1 3.75Å; L100-V125 HydrophobicContact CD1-CG2 3.87Å; V102-V125 HydrophobicContact CG2-CG2 4.34Å; Y121-V125 HydrophobicContact CD1-CG2 4.49Å; Y121-V125 HydrophobicContact CD2-CG2 3.99Å; Y121-V125 HydrophobicContact CE1-CG2 4.11Å; Y121-V125 HydrophobicContact CE2-CG2 3.58Å; Y121-V125 HydrophobicContact CG-CG2 4.45Å; Y121-V125 WeakPolarHBondContact O-CG2 3.43Å; Y121-V125 PolarHBondContact O-N 3.03Å; M122-V125 PolarHBondContact O-N 3.46Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 PolarHBondContact O-N 3.33Å; V125-G128 PolarHBondContact O-N 3.21Å; V125-G128 VanDerWaalsContact O-N 3.12Å; V125-L129 HydrophobicContact CG1-CD1 3.67Å; V125-L129 HydrophobicContact CG1-CG 3.87Å; V125-L129 WeakPolarHBondContact O-CB 3.31Å; V125-L129 WeakPolarHBondContact O-CG 3.35Å; V125-L129 PolarHBondContact O-N 2.9Å
126K92.8Very high93.2Very high82 Ų8243.9 Ų43.936%0.35723%0.226SC..Hα-helixtrans-55.4-47.4177.5-72.6-179.8-169.5-135.90111.6E70 M122 K130E70-K126 VanDerWaalsContact CD-CE 3.44Å; E70-K126 VanDerWaalsContact CD-NZ 3.33Å; E70-K126 HydrophobicContact CG-CG 3.97Å; E70-K126 VanDerWaalsContact OE1-CD 3.28Å; E70-K126 WeakPolarHBondContact OE1-CD 3.49Å; E70-K126 VanDerWaalsContact OE1-CG 3.32Å; E70-K126 WeakPolarHBondContact OE1-CG 3.28Å; E70-K126 IonicContact OE1-NZ 2.64Å; E70-K126 PolarHBondContact OE1-NZ 2.97Å; E70-K126 WeakPolarHBondContact OE2-CE 3.39Å; E70-K126 IonicContact OE2-NZ 3.4Å; E70-K126 PolarHBondContact OE2-NZ 3.48Å; M122-K126 WeakPolarHBondContact O-CB 3.39Å; M122-K126 WeakPolarHBondContact O-CG 3.46Å; M122-K126 PolarHBondContact O-N 3.33Å; K126-K130 PolarHBondContact O-N 2.91Å
127T91.9Very high93.2Very high89 Ų8948 Ų4855%0.54624%0.244SC..Hα-helixtrans-62-45.5177.2-54.50000111N123 V124 V125 K130 Q131N123-T127 PolarHBondContact O-N 3.25Å; N123-T127 PolarHBondContact O-OG1 3.2Å; V124-T127 PolarHBondContact O-N 3.26Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 PolarHBondContact O-N 3.33Å; T127-K130 PolarHBondContact O-N 2.9Å; T127-Q131 WeakPolarHBondContact O-CB 3.4Å; T127-Q131 PolarHBondContact O-N 3.45Å
128G92.3Very high92.8Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-66.5-43.6-178.300000113.8C105 V124 V125 K130 Q131 M132C105-G128 WeakPolarHBondContact SG-CA 3.43Å; V124-G128 PolarHBondContact O-N 3.17Å; V125-G128 PolarHBondContact O-N 3.21Å; V125-G128 VanDerWaalsContact O-N 3.12Å; G128-K130 VanDerWaalsContact C-N 3.34Å; G128-K130 PolarHBondContact O-N 2.78Å; G128-Q131 PolarHBondContact O-N 2.99Å; G128-M132 WeakPolarHBondContact O-CB 3.14Å; G128-M132 VanDerWaalsContact O-CG 3.25Å; G128-M132 WeakPolarHBondContact O-CG 3.26Å; G128-M132 PolarHBondContact O-N 3.42Å
129L93.1Very high92.1Very high13 Ų1354.1 Ų54.17%0.06828%0.277CS..Hα-helixtrans-60.6-44.9176.6-69.9178.2000111.1T66 F68 V102 V125 Q131 M132 A133T66-L129 HydrophobicContact CG2-CB 4.42Å; F68-L129 HydrophobicContact CB-CD1 4.39Å; F68-L129 HydrophobicContact CB-CD2 3.76Å; V102-L129 HydrophobicContact CG1-CD2 3.88Å; V102-L129 HydrophobicContact CG1-CG 4.19Å; V125-L129 HydrophobicContact CG1-CD1 3.67Å; V125-L129 HydrophobicContact CG1-CG 3.87Å; V125-L129 WeakPolarHBondContact O-CB 3.31Å; V125-L129 WeakPolarHBondContact O-CG 3.35Å; V125-L129 PolarHBondContact O-N 2.9Å; L129-Q131 PolarHBondContact O-N 3.03Å; L129-M132 PolarHBondContact O-N 3.15Å; L129-A133 WeakPolarHBondContact O-CB 3.49Å; L129-A133 PolarHBondContact O-N 2.83Å
130K91.7Very high91Very high85 Ų8555.2 Ų55.237%0.3732%0.317SS..Hα-helixtrans-61.9-44.6176.3-173.8167.7-173.2154.30111.7E63 P64 K126 T127 G128 A133 S134E63-K130 IonicContact OE1-NZ 3.79Å; E63-K130 PolarHBondContact OE1-NZ 2.98Å; E63-K130 WeakPolarHBondContact OE2-CD 3.31Å; E63-K130 WeakPolarHBondContact OE2-CE 3.47Å; E63-K130 IonicContact OE2-NZ 2.72Å; E63-K130 PolarHBondContact OE2-NZ 2.74Å; P64-K130 HydrophobicContact CG-CG 4.32Å; K126-K130 PolarHBondContact O-N 2.91Å; T127-K130 PolarHBondContact O-N 2.9Å; G128-K130 VanDerWaalsContact C-N 3.34Å; G128-K130 PolarHBondContact O-N 2.78Å; K130-A133 PolarHBondContact O-N 3.16Å; K130-S134 WeakPolarHBondContact O-CB 3.47Å; K130-S134 PolarHBondContact O-N 2.79Å; K130-S134 PolarHBondContact O-OG 3.34Å
131Q90.9Very high90.9Very high102 Ų10254.7 Ų54.748%0.47732%0.317SS..Hα-helixtrans-63-42.7178.4-178.8174.7-9.900112.4C105 T127 G128 L129 S134C105-Q131 PolarHBondContact SG-OE1 3.48Å; T127-Q131 WeakPolarHBondContact O-CB 3.4Å; T127-Q131 PolarHBondContact O-N 3.45Å; G128-Q131 PolarHBondContact O-N 2.99Å; L129-Q131 PolarHBondContact O-N 3.03Å; Q131-S134 PolarHBondContact O-N 3.46Å
132M90.6Very high90.8Very high71 Ų7157.5 Ų57.535%0.3533%0.334SS..Hα-helixtrans-68.9-33.9179.4-72.9-58.8-62.700112.7N30 G128 L129 T135N30-M132 PolarHBondContact ND2-O 2.72Å; G128-M132 WeakPolarHBondContact O-CB 3.14Å; G128-M132 VanDerWaalsContact O-CG 3.25Å; G128-M132 WeakPolarHBondContact O-CG 3.26Å; G128-M132 PolarHBondContact O-N 3.42Å; L129-M132 PolarHBondContact O-N 3.15Å; M132-T135 VanDerWaalsContact O-CG2 3.28Å; M132-T135 WeakPolarHBondContact O-CG2 3.41Å
133A93Very high90.5Very high4 Ų459.5 Ų59.53%0.03335%0.346CS..Hα-helixtrans-81.8-22.2177.200000113.3L54 P64 P65 T66 L129 K130 T135L54-A133 VanDerWaalsContact CD2-O 3.23Å; L54-A133 WeakPolarHBondContact CD2-O 3.24Å; P64-A133 HydrophobicContact CB-CB 3.74Å; P64-A133 HydrophobicContact CG-CB 3.59Å; P65-A133 WeakPolarHBondContact O-CB 3.32Å; T66-A133 HydrophobicContact CG2-CB 3.48Å; T66-A133 VanDerWaalsContact CG2-CB 3.48Å; L129-A133 WeakPolarHBondContact O-CB 3.49Å; L129-A133 PolarHBondContact O-N 2.83Å; K130-A133 PolarHBondContact O-N 3.16Å; A133-T135 PolarHBondContact O-N 3.29Å; A133-T135 PolarHBondContact O-OG1 3.32Å
134S93.7Very high90.3Very high17 Ų1757.3 Ų57.312%0.11934%0.336CS..  trans-73.467.1175.8-59.10000111.8K23 K130 Q131 Y136K23-S134 WeakPolarHBondContact CD-O 3.49Å; K23-S134 PolarHBondContact NZ-O 3.26Å; K130-S134 WeakPolarHBondContact O-CB 3.47Å; K130-S134 PolarHBondContact O-N 2.79Å; K130-S134 PolarHBondContact O-OG 3.34Å; Q131-S134 PolarHBondContact O-N 3.46Å; S134-Y136 VanDerWaalsContact C-N 3.29Å; S134-Y136 PolarHBondContact O-N 2.66Å; S134-Y136 PolarHBondContact OG-OH 2.68Å
135T95.3Very high90.2Very high3 Ų359.9 Ų59.92%0.01835%0.351CS..  trans-92.552.6-174.150.70000112.1E26 N30 M132 A133E26-T135 HydrophobicContact CB-CG2 3.6Å; N30-T135 VanDerWaalsContact ND2-CG2 3.31Å; N30-T135 WeakPolarHBondContact ND2-CG2 3.14Å; M132-T135 VanDerWaalsContact O-CG2 3.28Å; M132-T135 WeakPolarHBondContact O-CG2 3.41Å; A133-T135 PolarHBondContact O-N 3.29Å; A133-T135 PolarHBondContact O-OG1 3.32Å
136Y93.7Very high90Very high40 Ų4063.9 Ų63.916%0.15737%0.374CS..SBendtrans-142.6157.8179.247.8-102.7000110.6L54 S57 R58 S134 P138L54-Y136 HydrophobicContact CD2-CD1 4.43Å; S57-Y136 PolarHBondContact O-OH 3.19Å; S57-Y136 PolarHBondContact OG-OH 2.75Å; R58-Y136 HydrophobicContact CB-CD1 4.01Å; R58-Y136 HydrophobicContact CB-CD2 3.62Å; R58-Y136 HydrophobicContact CB-CE1 4.11Å; R58-Y136 HydrophobicContact CB-CE2 3.72Å; R58-Y136 HydrophobicContact CB-CG 3.77Å; R58-Y136 HydrophobicContact CG-CD2 3.48Å; R58-Y136 VanDerWaalsContact CG-CD2 3.48Å; R58-Y136 HydrophobicContact CG-CE2 3.81Å; R58-Y136 HydrophobicContact CG-CG 3.97Å; S134-Y136 VanDerWaalsContact C-N 3.29Å; S134-Y136 PolarHBondContact O-N 2.66Å; S134-Y136 PolarHBondContact OG-OH 2.68Å; Y136-P138 WeakPolarHBondContact O-CD 3.38Å
137K92.8Very high89.8Confident94 Ų9462.6 Ų62.641%0.40938%0.376SS..PPolyproline II helixtrans-67.1123.3167.3-172.3170.7-179.4166.30109E21 R58E21-K137 WeakPolarHBondContact O-CB 3.35Å; E21-K137 IonicContact OE2-NZ 2.78Å; E21-K137 PolarHBondContact OE2-NZ 3.26Å; R58-K137 WeakPolarHBondContact CD-O 3.41Å
138P85Confident89.6Confident96 Ų9660.5 Ų60.562%0.62336%0.363SS*.PPolyproline II helixtrans-58.6146.5175-23.734.2000111.7Y136 G140Y136-P138 WeakPolarHBondContact O-CD 3.38Å; P138-G140 PolarHBondContact O-N 3.31Å
139I82.1Confident89.4Confident118 Ų11865.6 Ų65.661%0.60539%0.393SS*.PPolyproline II helixtrans-73118.4167.8-58.4172.1000106.4R58R58-I139 HydrophobicContact CG-CD1 4.25Å; R58-I139 HydrophobicContact CG-CG1 4.06Å
140G71Confident89.1Confident144 Ų14470.4 Ų70.4100%1.48542%0.422SS*.  trans-83.90173.300000112.1P138P138-G140 PolarHBondContact O-N 3.31Å

Retrieved 140 of 140 residues in 563.6 ms (Link to these results)

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