A0A096N3L5_PAPAN Loading...

Homogentisate 1,2-dioxygenase

Catalyzes the conversion of homogentisate to maleylacetoacetate.

AlphaFold DB , UniProt , Accession A0A096N3L5, Species PAPAN (Papio anubis, Olive baboon), Gene HGD, Length 445 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
1M61.6Low93.4Very high179 Ų17977 Ų7788%0.88243%0.425SS*.  0132.90-146.9179.1-75.500107.1L164 F193M1-L164 HydrophobicContact CE-CD2 4.05Å; M1-L164 HydrophobicContact SD-CD2 3.77Å; M1-F193 HydrophobicContact CE-CE1 3.85Å; M1-F193 HydrophobicContact CE-CZ 3.98Å
2A84.6Confident93.8Very high90 Ų9077.2 Ų77.274%0.74443%0.425SS*.PPolyproline II helixtrans-62.5144.3177.600000109.9L4A2-L4 PolarHBondContact O-N 3.09Å
3E93Very high94.2Very high156 Ų15678.6 Ų78.673%0.72943%0.426SS*.PPolyproline II helixtrans-63.5126.9177.4-171.6-165.4-157.100110.1K5E3-K5 IonicContact OE2-NZ 3.21Å; E3-K5 PolarHBondContact OE2-NZ 3.24Å
4L97.8Very high94.5Very high48 Ų4873.6 Ų73.625%0.25140%0.4SS..PPolyproline II helixtrans-70.8146.5177.5-62.3176000110.9A2 Y6 L164 K171 L173A2-L4 PolarHBondContact O-N 3.09Å; L4-Y6 HydrophobicContact CB-CE2 3.94Å; L4-L164 HydrophobicContact CD1-CD1 4.06Å; L4-K171 HydrophobicContact CD1-CB 3.96Å; L4-K171 HydrophobicContact CD2-CB 4.15Å; L4-L173 HydrophobicContact CD1-CB 4.04Å
5K98.4Very high94.8Very high126 Ų12672.9 Ų72.955%0.54841%0.408SS..  trans-105152.9174-59.1-57178.9-167.30110.2E3 I231E3-K5 IonicContact OE2-NZ 3.21Å; E3-K5 PolarHBondContact OE2-NZ 3.24Å; K5-I231 HydrophobicContact CB-CD1 4.03Å
6Y98.8Very high95.1Very high60 Ų6069.1 Ų69.124%0.23539%0.388CS..EExtended strand (participates in β ladder)trans-139.5149.1-174-57.9-84.3000110.9L4 M172 L173 L228 I229 K276L4-Y6 HydrophobicContact CB-CE2 3.94Å; Y6-M172 HydrophobicContact CE1-CB 4.3Å; Y6-M172 HydrophobicContact CE1-CG 4.09Å; Y6-L173 PolarHBondContact OH-N 3.32Å; Y6-L173 VanDerWaalsContact OH-N 3.11Å; Y6-L228 HydrophobicContact CD1-CB 4.2Å; Y6-L228 HydrophobicContact CD2-CD1 4.19Å; Y6-L228 HydrophobicContact CG-CB 3.99Å; Y6-L228 HydrophobicContact CG-CD1 4.31Å; Y6-I229 CarbonylContact C-O 3.52Å; Y6-I229 VanDerWaalsContact CA-O 3.24Å; Y6-I229 WeakPolarHBondContact CA-O 3.4Å; Y6-I229 WeakPolarHBondContact CB-O 3.24Å; Y6-K276 HydrophobicContact CE1-CD 4.06Å
7I98.8Very high95.3Very high42 Ų4268.8 Ų68.822%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-81.4155.5160.2-62.3163.3000107.6C14 L228 I229 I231 W268I7-C14 HydrophobicContact CD1-CB 4.21Å; I7-C14 HydrophobicContact CG2-CB 4.4Å; I7-C14 VanDerWaalsContact CG2-SG 3.57Å; I7-L228 CarbonylContact O-C 3.48Å; I7-L228 VanDerWaalsContact O-CA 3.3Å; I7-L228 WeakPolarHBondContact O-CA 3.46Å; I7-I229 HydrophobicContact CB-CB 4.37Å; I7-I229 PolarHBondContact N-O 3.19Å; I7-I229 PolarHBondContact O-N 3.31Å; I7-I231 HydrophobicContact CD1-CG2 4.46Å; I7-I231 HydrophobicContact CG1-CG2 4.1Å; I7-W268 HydrophobicContact CD1-CH2 4.32Å; I7-W268 HydrophobicContact CD1-CZ2 4.4Å
8S98.8Very high95.5Very high55 Ų5565.1 Ų65.139%0.38536%0.362SS..EExtended strand (participates in β ladder)trans-125.8151.9178.663.70000112.5N12 R225 F227S8-N12 PolarHBondContact O-ND2 3.29Å; S8-N12 VanDerWaalsContact O-ND2 3.12Å; S8-R225 WeakPolarHBondContact CB-O 3.33Å; S8-F227 WeakPolarHBondContact CA-O 3.41Å
9G98.7Very high95.7Very high8 Ų867.4 Ų67.48%0.08238%0.38CS..  trans118.2109.7175.800000113.3G11 N12 P224 F227G9-G11 PolarHBondContact O-N 3.17Å; G9-N12 WeakPolarHBondContact O-CB 3.07Å; G9-N12 PolarHBondContact O-N 3.26Å; G9-P224 CarbonylContact C-O 3.59Å; G9-P224 VanDerWaalsContact CA-O 3.29Å; G9-P224 WeakPolarHBondContact CA-O 3.44Å; G9-F227 PolarHBondContact N-O 3.29Å
10F98.8Very high95.8Very high43 Ų4370.6 Ų70.619%0.18939%0.386CS..THydrogen-bonded Turntrans-59.8126.4176.4-172.2-90.2000111.9N12 L210 P224 F227 Y275 L301F10-N12 VanDerWaalsContact C-N 3.28Å; F10-N12 PolarHBondContact O-N 3.45Å; F10-L210 HydrophobicContact CB-CD1 4.17Å; F10-L210 HydrophobicContact CD1-CD1 3.9Å; F10-L210 HydrophobicContact CD1-CG 3.92Å; F10-L210 HydrophobicContact CE1-CG 4.12Å; F10-L210 HydrophobicContact CG-CD1 4.06Å; F10-L210 HydrophobicContact CG-CG 4.16Å; F10-P224 HydrophobicContact CB-CB 4.13Å; F10-P224 PolarHBondContact N-O 2.91Å; F10-F227 HydrophobicContact CB-CB 4.01Å; F10-F227 HydrophobicContact CB-CD2 3.9Å; F10-F227 HydrophobicContact CB-CG 3.93Å; F10-F227 HydrophobicContact CD2-CB 4.31Å; F10-F227 AromaticContact CD2-CD1 3.59Å; F10-F227 HydrophobicContact CD2-CD1 3.59Å; F10-F227 HydrophobicContact CD2-CD2 4.2Å; F10-F227 AromaticContact CD2-CE1 3.86Å; F10-F227 HydrophobicContact CD2-CE1 3.86Å; F10-F227 HydrophobicContact CD2-CE2 4.44Å; F10-F227 AromaticContact CD2-CG 3.77Å; F10-F227 HydrophobicContact CD2-CG 3.77Å; F10-F227 HydrophobicContact CD2-CZ 4.28Å; F10-F227 HydrophobicContact CE2-CD1 4.29Å; F10-F227 HydrophobicContact CE2-CE1 4.24Å; F10-F227 HydrophobicContact CG-CD2 4.44Å; F10-F227 HydrophobicContact CG-CG 4.32Å; F10-Y275 HydrophobicContact CD2-CE2 4.44Å; F10-Y275 HydrophobicContact CE2-CE1 4.16Å; F10-Y275 HydrophobicContact CE2-CE2 4Å; F10-Y275 AromaticContact CE2-CZ 3.67Å; F10-L301 HydrophobicContact CE2-CD2 3.87Å; F10-L301 HydrophobicContact CZ-CD2 4.19Å
11G98Very high95.9Very high40 Ų4067.9 Ų67.941%0.41237%0.372SS..THydrogen-bonded Turntrans76.36.7175.400000115.8G9G9-G11 PolarHBondContact O-N 3.17Å
12N98.8Very high97.7Very high79 Ų7963.6 Ų63.642%0.42236%0.358SS..  trans-60.4151.3177.9-85-1000112.7S8 G9 F10 C14 N271S8-N12 PolarHBondContact O-ND2 3.29Å; S8-N12 VanDerWaalsContact O-ND2 3.12Å; G9-N12 WeakPolarHBondContact O-CB 3.07Å; G9-N12 PolarHBondContact O-N 3.26Å; F10-N12 VanDerWaalsContact C-N 3.28Å; F10-N12 PolarHBondContact O-N 3.45Å; N12-C14 PolarHBondContact O-N 3.21Å; N12-N271 VanDerWaalsContact O-CA 3.23Å; N12-N271 WeakPolarHBondContact O-CA 3.11Å; N12-N271 VanDerWaalsContact O-CB 3.27Å; N12-N271 WeakPolarHBondContact O-CB 3.46Å
13E98.9Very high98.4Very high96 Ų9661.4 Ų61.445%0.44934%0.343SS..  trans-80.499.1157.2-79.1-82.8-152.600108.2R58 G270 N271E13-R58 IonicContact OE1-CZ 2.64Å; E13-R58 IonicContact OE1-NH1 2.79Å; E13-R58 PolarHBondContact OE1-NH1 3.08Å; E13-R58 IonicContact OE1-NH2 2.6Å; E13-R58 PolarHBondContact OE1-NH2 3.33Å; E13-R58 IonicContact OE2-CZ 3.6Å; E13-R58 IonicContact OE2-NH1 3.96Å; E13-R58 PolarHBondContact OE2-NH1 2.93Å; E13-R58 IonicContact OE2-NH2 2.8Å; E13-G270 WeakPolarHBondContact OE2-CA 3.37Å; E13-N271 HydrophobicContact CG-CB 4.21Å; E13-N271 PolarHBondContact OE2-N 3.43Å
14C98.8Very high98.6Very high8 Ų854 Ų545%0.05431%0.309CS..EExtended strand (participates in β ladder)trans-92.7155-180-63.90000110.7I7 N12 W268 H269 G270I7-C14 HydrophobicContact CD1-CB 4.21Å; I7-C14 HydrophobicContact CG2-CB 4.4Å; I7-C14 VanDerWaalsContact CG2-SG 3.57Å; N12-C14 PolarHBondContact O-N 3.21Å; C14-W268 HydrophobicContact CB-CH2 3.5Å; C14-W268 VanDerWaalsContact CB-CH2 3.5Å; C14-W268 HydrophobicContact CB-CZ3 3.54Å; C14-H269 CarbonylContact O-C 3.49Å; C14-H269 WeakPolarHBondContact O-CA 3.25Å; C14-H269 WeakPolarHBondContact O-CB 3.31Å; C14-G270 PolarHBondContact N-O 3.33Å; C14-G270 PolarHBondContact O-N 3.33Å
15A98.9Very high98.7Very high64 Ų6453.1 Ų53.153%0.52930%0.304SS..EExtended strand (participates in β ladder)trans-132.9130168.600000107.5L25 H269A15-L25 HydrophobicContact CB-CD1 3.77Å; A15-H269 HydrophobicContact CB-CB 4.06Å
16S98.9Very high98.7Very high11 Ų1147.9 Ų47.98%0.07728%0.283CS..EExtended strand (participates in β ladder)trans-143.1133.4179.5-1650000110.8A232 A267 W268S16-A232 WeakPolarHBondContact OG-CB 3.48Å; S16-A232 PolarHBondContact OG-N 2.75Å; S16-A267 CarbonylContact O-C 3.53Å; S16-A267 VanDerWaalsContact O-CA 3.3Å; S16-A267 WeakPolarHBondContact O-CA 3.24Å; S16-W268 PolarHBondContact N-O 3.2Å; S16-W268 PolarHBondContact O-N 3.33Å
17E98.9Very high98.7Very high64 Ų6453.7 Ų53.730%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-118.2139.9173.3-65.7-179168.300108.6G23 S24 L25 A267E17-G23 PolarHBondContact OE2-N 3.48Å; E17-S24 WeakPolarHBondContact CB-OG 3.43Å; E17-S24 WeakPolarHBondContact CG-OG 3.42Å; E17-S24 PolarHBondContact OE1-N 2.83Å; E17-L25 HydrophobicContact CG-CB 4.36Å; E17-L25 HydrophobicContact CG-CD1 3.93Å; E17-L25 HydrophobicContact CG-CG 3.67Å; E17-L25 VanDerWaalsContact OE1-CB 3.22Å; E17-L25 WeakPolarHBondContact OE1-CB 3.35Å; E17-L25 WeakPolarHBondContact OE1-CG 3.27Å; E17-L25 PolarHBondContact OE1-N 2.71Å; E17-A267 HydrophobicContact CB-CB 4.37Å; E17-A267 HydrophobicContact CG-CB 3.95Å
18D98.8Very high98.7Very high3 Ų355.8 Ų55.82%0.01634%0.344CS..  trans-62.5129.6168.9-171.8-65.6000108.7R20 C21 W233 Y234 V266D18-R20 PolarHBondContact O-N 2.93Å; D18-R20 VanDerWaalsContact OD1-CB 3.28Å; D18-R20 WeakPolarHBondContact OD1-CB 3.5Å; D18-R20 WeakPolarHBondContact OD1-CG 3.41Å; D18-R20 IonicContact OD1-CZ 3.72Å; D18-R20 PolarHBondContact OD1-N 3.08Å; D18-R20 IonicContact OD1-NE 3.75Å; D18-R20 PolarHBondContact OD1-NE 3.48Å; D18-R20 IonicContact OD1-NH2 3.68Å; D18-R20 IonicContact OD2-CZ 2.82Å; D18-R20 IonicContact OD2-NE 3.35Å; D18-R20 PolarHBondContact OD2-NE 2.77Å; D18-R20 IonicContact OD2-NH2 2.76Å; D18-R20 PolarHBondContact OD2-NH2 3.44Å; D18-C21 PolarHBondContact O-N 2.83Å; D18-W233 WeakPolarHBondContact OD2-CA 3.36Å; D18-Y234 HydrophobicContact CB-CD1 3.92Å; D18-Y234 HydrophobicContact CB-CE1 4.21Å; D18-Y234 WeakPolarHBondContact OD2-CD1 3.42Å; D18-Y234 PolarHBondContact OD2-N 3.1Å; D18-V266 HydrophobicContact CB-CG1 4.39Å; D18-V266 VanDerWaalsContact CB-O 3.29Å; D18-V266 WeakPolarHBondContact CB-O 3.36Å; D18-V266 PolarHBondContact N-O 3.39Å
19P98.3Very high98.7Very high108 Ų10858.1 Ų58.170%0.70135%0.349SS*.THydrogen-bonded Turntrans-62.4-14.2-173.525-36000114C21P19-C21 VanDerWaalsContact C-N 3.29Å
20R98.7Very high98.7Very high131 Ų13160.3 Ų60.349%0.49436%0.359SS..THydrogen-bonded Turntrans-75.6-16.9174.7-62.9170.6-74.5173.1-2.5112.9D18 Y234D18-R20 PolarHBondContact O-N 2.93Å; D18-R20 VanDerWaalsContact OD1-CB 3.28Å; D18-R20 WeakPolarHBondContact OD1-CB 3.5Å; D18-R20 WeakPolarHBondContact OD1-CG 3.41Å; D18-R20 IonicContact OD1-CZ 3.72Å; D18-R20 PolarHBondContact OD1-N 3.08Å; D18-R20 IonicContact OD1-NE 3.75Å; D18-R20 PolarHBondContact OD1-NE 3.48Å; D18-R20 IonicContact OD1-NH2 3.68Å; D18-R20 IonicContact OD2-CZ 2.82Å; D18-R20 IonicContact OD2-NE 3.35Å; D18-R20 PolarHBondContact OD2-NE 2.77Å; D18-R20 IonicContact OD2-NH2 2.76Å; D18-R20 PolarHBondContact OD2-NH2 3.44Å; R20-Y234 VanDerWaalsContact CZ-CE1 3.48Å; R20-Y234 VanDerWaalsContact NH2-CD1 3.28Å; R20-Y234 PolarHBondContact NH2-O 3.31Å
21C98.6Very high98.7Very high14 Ų1463.1 Ų63.110%0.09538%0.376CS..SBendtrans-132.666.3-174.4-59.50000111.1D18 P19 S24 Y37 V266D18-C21 PolarHBondContact O-N 2.83Å; P19-C21 VanDerWaalsContact C-N 3.29Å; C21-S24 WeakPolarHBondContact O-CB 3.21Å; C21-S24 PolarHBondContact O-N 2.93Å; C21-S24 PolarHBondContact O-OG 2.8Å; C21-Y37 HydrophobicContact CB-CD2 4.32Å; C21-Y37 HydrophobicContact CB-CE1 4.32Å; C21-Y37 HydrophobicContact CB-CE2 3.9Å; C21-V266 HydrophobicContact CB-CG1 3.52Å
22P98.6Very high98.7Very high90 Ų9062.5 Ų62.558%0.58436%0.364SS*.THydrogen-bonded Turntrans-62.1138.3-178.627.7-35.9000112.1Y37P22-Y37 PolarHBondContact O-OH 3.16Å
23G98.5Very high98.7Very high43 Ų4368.3 Ų68.344%0.44339%0.389SS..THydrogen-bonded Turntrans74.329.1-17600000113E17 P36E17-G23 PolarHBondContact OE2-N 3.48Å; G23-P36 VanDerWaalsContact O-CB 3.25Å; G23-P36 WeakPolarHBondContact O-CB 3.48Å
24S98.8Very high98.7Very high0 Ų068.2 Ų68.20%040%0.395CS..  trans-79.2-18.3177.7390000113.4E17 C21 A267E17-S24 WeakPolarHBondContact CB-OG 3.43Å; E17-S24 WeakPolarHBondContact CG-OG 3.42Å; E17-S24 PolarHBondContact OE1-N 2.83Å; C21-S24 WeakPolarHBondContact O-CB 3.21Å; C21-S24 PolarHBondContact O-N 2.93Å; C21-S24 PolarHBondContact O-OG 2.8Å; S24-A267 WeakPolarHBondContact OG-CB 3.47Å
25L98.9Very high98.7Very high30 Ų3068.4 Ų68.416%0.15740%0.396CS..SBendtrans-77.2135.1165.2-66.8175.2000110.1A15 E17 Y62 A267 H269A15-L25 HydrophobicContact CB-CD1 3.77Å; E17-L25 HydrophobicContact CG-CB 4.36Å; E17-L25 HydrophobicContact CG-CD1 3.93Å; E17-L25 HydrophobicContact CG-CG 3.67Å; E17-L25 VanDerWaalsContact OE1-CB 3.22Å; E17-L25 WeakPolarHBondContact OE1-CB 3.35Å; E17-L25 WeakPolarHBondContact OE1-CG 3.27Å; E17-L25 PolarHBondContact OE1-N 2.71Å; L25-Y62 HydrophobicContact CD2-CD2 3.52Å; L25-Y62 HydrophobicContact CD2-CE2 3.51Å; L25-A267 HydrophobicContact CD2-CB 3.71Å; L25-A267 HydrophobicContact CG-CB 3.96Å; L25-H269 HydrophobicContact CD1-CB 4.45Å; L25-H269 HydrophobicContact CD2-CB 4.41Å
26P98.8Very high98.7Very high17 Ų1767.2 Ų67.211%0.1138%0.383CS..PPolyproline II helixtrans-69135.1171.6-7.921.7000111.1Q29 P32 P36 Y62P26-Q29 HydrophobicContact CB-CG 4.5Å; P26-Q29 WeakPolarHBondContact CB-O 3.29Å; P26-P32 HydrophobicContact CB-CB 4.45Å; P26-P32 HydrophobicContact CB-CG 3.84Å; P26-P32 HydrophobicContact CG-CG 3.75Å; P26-P36 HydrophobicContact CB-CG 4.48Å; P26-Y62 WeakPolarHBondContact CD-OH 3.41Å; P26-Y62 HydrophobicContact CG-CD1 3.94Å; P26-Y62 HydrophobicContact CG-CE1 3.2Å; P26-Y62 HydrophobicContact CG-CE2 4.41Å; P26-Y62 VanDerWaalsContact CG-CZ 3.48Å
27E98.7Very high98.7Very high182 Ų18272.4 Ų72.485%0.8540%0.402SS*.SBendtrans-75.9128.1-180-169.767.2-170.200110.9Q29E27-Q29 PolarHBondContact O-N 3.36Å; E27-Q29 VanDerWaalsContact O-N 3.09Å
28G98.4Very high98.7Very high85 Ų8575.4 Ų75.488%0.87642%0.42SS*.SBendtrans70.60.2170.600000116.9
29Q98.6Very high98.7Very high105 Ų10576 Ų7649%0.49142%0.423SS..  trans-154.6159.917963.9-177.695.900112.6P26 E27 N31P26-Q29 HydrophobicContact CB-CG 4.5Å; P26-Q29 WeakPolarHBondContact CB-O 3.29Å; E27-Q29 PolarHBondContact O-N 3.36Å; E27-Q29 VanDerWaalsContact O-N 3.09Å; Q29-N31 PolarHBondContact NE2-O 2.83Å
30N98.8Very high98.7Very high54 Ų5476.8 Ų76.829%0.28941%0.413SS..SBendtrans-98.1-22178.7-55.8-17.4000113.8P32 W60 Y62 H269N30-P32 VanDerWaalsContact C-CD 3.5Å; N30-P32 WeakPolarHBondContact O-CD 3.46Å; N30-W60 HydrophobicContact CB-CD2 3.77Å; N30-W60 HydrophobicContact CB-CE3 4.07Å; N30-W60 HydrophobicContact CB-CG 4.27Å; N30-W60 HydrophobicContact CB-CH2 4.25Å; N30-W60 HydrophobicContact CB-CZ2 3.94Å; N30-W60 HydrophobicContact CB-CZ3 4.3Å; N30-W60 PolarHBondContact ND2-NE1 3.35Å; N30-Y62 WeakPolarHBondContact CA-OH 3.47Å; N30-Y62 PolarHBondContact O-OH 3.23Å; N30-H269 PolarHBondContact OD1-CE1 2.84Å; N30-H269 VanDerWaalsContact OD1-CE1 3.29Å; N30-H269 PolarHBondContact OD1-NE2 3.19Å
31N98.7Very high98.7Very high101 Ų10172.3 Ų72.354%0.5440%0.404SS..  trans-127.365.9-170.2-58-82.1000110.9Q29 W60Q29-N31 PolarHBondContact NE2-O 2.83Å; N31-W60 WeakPolarHBondContact ND2-CH2 3.13Å; N31-W60 WeakPolarHBondContact OD1-CH2 3.24Å; N31-W60 WeakPolarHBondContact OD1-CZ3 3.33Å
32P98.7Very high98.7Very high27 Ų2773.4 Ų73.418%0.17541%0.408CS..  trans-64.7152.5172.133.6-38.3000110.8P26 N30 V34 C35P26-P32 HydrophobicContact CB-CB 4.45Å; P26-P32 HydrophobicContact CB-CG 3.84Å; P26-P32 HydrophobicContact CG-CG 3.75Å; N30-P32 VanDerWaalsContact C-CD 3.5Å; N30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-V34 PolarHBondContact O-N 2.67Å; P32-C35 HydrophobicContact CG-CB 4.11Å; P32-C35 VanDerWaalsContact CG-SG 3.59Å
33Q98.5Very high98.7Very high201 Ų20172.5 Ų72.594%0.93940%0.396SS*.SBendtrans-59.8-36.6175.6-175179.119.900111.4
34V98.7Very high98.8Very high94 Ų9472 Ų7257%0.5738%0.383SS*.SBendtrans-132.9118.6171.3-177.10000106.6P32 N38P32-V34 PolarHBondContact O-N 2.67Å; V34-N38 WeakPolarHBondContact CG1-OD1 3.2Å
35C98.9Very high98.8Very high13 Ų1374.4 Ų74.49%0.08840%0.4CS..  trans-68.1154.9176.6-59.40000110.7P32 Y37 N38 L39 Y62P32-C35 HydrophobicContact CG-CB 4.11Å; P32-C35 VanDerWaalsContact CG-SG 3.59Å; C35-Y37 PolarHBondContact O-N 3.34Å; C35-N38 WeakPolarHBondContact O-CA 3.45Å; C35-N38 PolarHBondContact O-N 2.76Å; C35-L39 HydrophobicContact CB-CB 4.1Å; C35-L39 WeakPolarHBondContact CB-O 3.22Å; C35-L39 PolarHBondContact SG-O 3.01Å; C35-L39 VanDerWaalsContact SG-O 3.33Å; C35-Y62 HydrophobicContact CB-CD1 4.41Å
36P98.8Very high98.8Very high39 Ų3973.9 Ų73.925%0.25340%0.402SS..G310 helixtrans-46.2140.7163.2-27.336.1000111.1G23 P26 N38 L39G23-P36 VanDerWaalsContact O-CB 3.25Å; G23-P36 WeakPolarHBondContact O-CB 3.48Å; P26-P36 HydrophobicContact CB-CG 4.48Å; P36-N38 PolarHBondContact O-N 2.81Å; P36-N38 VanDerWaalsContact O-N 3.08Å; P36-L39 WeakPolarHBondContact O-CG 3.4Å; P36-L39 PolarHBondContact O-N 3.44Å
37Y98.8Very high98.8Very high120 Ų12074.2 Ų74.247%0.47140%0.404SS..G310 helixtrans58.216-175.5-58.5-86.8000115.6C21 P22 C35 L39C21-Y37 HydrophobicContact CB-CD2 4.32Å; C21-Y37 HydrophobicContact CB-CE1 4.32Å; C21-Y37 HydrophobicContact CB-CE2 3.9Å; P22-Y37 PolarHBondContact O-OH 3.16Å; C35-Y37 PolarHBondContact O-N 3.34Å; Y37-L39 PolarHBondContact O-N 2.88Å
38N98.8Very high98.8Very high127 Ų12768.5 Ų68.568%0.67939%0.388SS*.G310 helixtrans58.829.8-175.9-48.9-72.3000113.6V34 C35 P36V34-N38 WeakPolarHBondContact CG1-OD1 3.2Å; C35-N38 WeakPolarHBondContact O-CA 3.45Å; C35-N38 PolarHBondContact O-N 2.76Å; P36-N38 PolarHBondContact O-N 2.81Å; P36-N38 VanDerWaalsContact O-N 3.08Å
39L98.9Very high98.8Very high16 Ų1671.5 Ų71.58%0.08438%0.377CS..PPolyproline II helixtrans-69.1165.1176.5-61.5168.7000111.5C35 P36 Y37 I64 V266C35-L39 HydrophobicContact CB-CB 4.1Å; C35-L39 WeakPolarHBondContact CB-O 3.22Å; C35-L39 PolarHBondContact SG-O 3.01Å; C35-L39 VanDerWaalsContact SG-O 3.33Å; P36-L39 WeakPolarHBondContact O-CG 3.4Å; P36-L39 PolarHBondContact O-N 3.44Å; Y37-L39 PolarHBondContact O-N 2.88Å; L39-I64 HydrophobicContact CD2-CG1 4.16Å; L39-V266 HydrophobicContact CD1-CB 3.85Å; L39-V266 HydrophobicContact CD1-CG1 4.26Å; L39-V266 HydrophobicContact CD1-CG2 4.3Å; L39-V266 HydrophobicContact CD2-CB 4.2Å; L39-V266 HydrophobicContact CD2-CG2 3.72Å
40Y98.9Very high98.7Very high124 Ų12473.1 Ų73.149%0.48639%0.394SS..EExtended strand (participates in β ladder)trans-95.4129.8168.7-68-96.1000109.6Y62 R63 I64 L65 P66Y40-Y62 WeakPolarHBondContact O-CA 3.35Å; Y40-R63 PolarHBondContact N-O 3.02Å; Y40-R63 PolarHBondContact O-N 3.27Å; Y40-I64 VanDerWaalsContact CD2-O 3.29Å; Y40-I64 WeakPolarHBondContact CD2-O 3.38Å; Y40-I64 WeakPolarHBondContact CE2-O 3.35Å; Y40-L65 HydrophobicContact CE2-CD2 4.46Å; Y40-P66 HydrophobicContact CD1-CB 4.47Å; Y40-P66 HydrophobicContact CD1-CG 4.15Å; Y40-P66 HydrophobicContact CE1-CG 4.41Å; Y40-P66 HydrophobicContact CG-CB 4.45Å; Y40-P66 HydrophobicContact CG-CG 4.33Å
41A98.9Very high98.7Very high37 Ų3772.3 Ų72.331%0.30639%0.393SS..EExtended strand (participates in β ladder)trans-80.7128.1167.500000109.7W60 L61 Y62A41-W60 HydrophobicContact CB-CE3 4.31Å; A41-W60 HydrophobicContact CB-CZ3 4.26Å; A41-L61 CarbonylContact C-O 3.48Å; A41-L61 WeakPolarHBondContact CA-O 3.42Å; A41-Y62 HydrophobicContact CB-CD1 4.1Å; A41-Y62 HydrophobicContact CB-CE1 3.82Å
42E98.9Very high98.7Very high37 Ų3771.7 Ų71.717%0.17339%0.394CS..EExtended strand (participates in β ladder)trans-136.2127.5178.6-179.6171.897.200109.5W60 L61 R63 S67E42-W60 CarbonylContact O-C 3.57Å; E42-L61 HydrophobicContact CB-CB 4.41Å; E42-L61 PolarHBondContact N-O 2.9Å; E42-L61 PolarHBondContact O-N 3.1Å; E42-R63 WeakPolarHBondContact OE1-CD 3.48Å; E42-R63 IonicContact OE1-CZ 3.15Å; E42-R63 IonicContact OE1-NE 3.81Å; E42-R63 IonicContact OE1-NH1 3.78Å; E42-R63 PolarHBondContact OE1-NH1 2.71Å; E42-S67 VanDerWaalsContact OE1-CB 3.32Å; E42-S67 WeakPolarHBondContact OE1-CB 3.11Å; E42-S67 PolarHBondContact OE1-OG 2.82Å; E42-S67 VanDerWaalsContact OE2-CB 3.27Å; E42-S67 WeakPolarHBondContact OE2-CB 3.28Å; E42-S67 PolarHBondContact OE2-N 3.05Å; E42-S67 PolarHBondContact OE2-OG 2.79Å
43Q98.9Very high98.7Very high70 Ų7080.8 Ų80.833%0.32743%0.425SS..EExtended strand (participates in β ladder)trans-97.9123.4176.7-176.1173.5-143.900110.4S59 W60Q43-S59 CarbonylContact C-O 3.43Å; Q43-S59 WeakPolarHBondContact CA-O 3.22Å; Q43-W60 HydrophobicContact CB-CD2 4.03Å; Q43-W60 HydrophobicContact CB-CE3 4.05Å; Q43-W60 HydrophobicContact CB-CH2 3.95Å; Q43-W60 HydrophobicContact CB-CZ2 3.94Å; Q43-W60 HydrophobicContact CB-CZ3 4.01Å; Q43-W60 HydrophobicContact CG-CD2 4.34Å; Q43-W60 HydrophobicContact CG-CZ2 4.12Å
44L98.9Very high98.7Very high33 Ų3375.8 Ų75.817%0.17341%0.412CS..EExtended strand (participates in β ladder)trans-93111.8165.5-179.762.5000108.8R58 S59 F169 M186 Y272L44-R58 VanDerWaalsContact O-CA 3.31Å; L44-R58 WeakPolarHBondContact O-CA 3.35Å; L44-S59 PolarHBondContact N-O 2.68Å; L44-S59 PolarHBondContact O-N 2.78Å; L44-F169 HydrophobicContact CD2-CE2 4.25Å; L44-F169 HydrophobicContact CD2-CZ 4.2Å; L44-M186 HydrophobicContact CD2-CE 4.22Å; L44-M186 HydrophobicContact CD2-CG 3.78Å; L44-Y272 HydrophobicContact CD1-CE1 4.45Å; L44-Y272 HydrophobicContact CD2-CD1 3.72Å; L44-Y272 HydrophobicContact CD2-CE1 3.73Å; L44-Y272 HydrophobicContact CG-CD1 3.78Å; L44-Y272 HydrophobicContact CG-CE1 3.81Å
45S98.9Very high98.7Very high51 Ų5173.8 Ų73.836%0.35740%0.4SS..EExtended strand (participates in β ladder)trans-97.5112.7178.5-54.70000109.6F49S45-F49 WeakPolarHBondContact OG-CE1 3.43Å
46G98.7Very high98.7Very high19 Ų1974.9 Ų74.920%0.19641%0.405CS..SBendtrans-85.5-24.5176.700000113K57 H207G46-K57 WeakPolarHBondContact CA-O 3.32Å; G46-K57 PolarHBondContact N-O 2.87Å; G46-H207 PolarHBondContact O-NE2 3Å
47S98.8Very high98.7Very high24 Ų2474.6 Ų74.617%0.16840%0.4CS..SBendtrans-123.1172178.474.20000112.5N56 K57S47-N56 WeakPolarHBondContact OG-CA 3.29Å; S47-K57 PolarHBondContact N-O 2.84Å; S47-K57 VanDerWaalsContact N-O 3.15Å; S47-K57 PolarHBondContact OG-N 2.8Å
48A98.5Very high98.7Very high62 Ų6271.2 Ų71.251%0.51239%0.386SS..  trans-61.4146.3164.200000110.5T50 C51A48-T50 PolarHBondContact O-N 3.37Å; A48-C51 WeakPolarHBondContact O-CB 3.31Å; A48-C51 PolarHBondContact O-N 2.9Å; A48-C51 PolarHBondContact O-SG 3.15Å; A48-C51 VanDerWaalsContact O-SG 3.33Å
49F98.4Very high98.7Very high148 Ų14865.2 Ų65.265%0.64935%0.354SS*.THydrogen-bonded Turntrans-60.7-30-176.3-69.6-58.3000113.9S45 N56S45-F49 WeakPolarHBondContact OG-CE1 3.43Å; F49-N56 PolarHBondContact O-ND2 2.85Å
50T98.4Very high98.7Very high138 Ų13865.4 Ų65.485%0.84735%0.354SS*.THydrogen-bonded Turntrans-94.17.2-175.853.80000113.5A48A48-T50 PolarHBondContact O-N 3.37Å
51C98.5Very high98.7Very high38 Ų3859.5 Ų59.526%0.25733%0.331SS..SBendtrans-56140.6171.7-72.60000110.1A48 N56A48-C51 WeakPolarHBondContact O-CB 3.31Å; A48-C51 PolarHBondContact O-N 2.9Å; A48-C51 PolarHBondContact O-SG 3.15Å; A48-C51 VanDerWaalsContact O-SG 3.33Å; C51-N56 HydrophobicContact CB-CB 4.11Å; C51-N56 PolarHBondContact O-ND2 2.78Å; C51-N56 VanDerWaalsContact O-ND2 3.17Å
52P98.6Very high98.7Very high88 Ų8857.8 Ų57.857%0.57132%0.316SS*.  trans-49148.1169-26.433.8000111.2S54 T55 N56P52-S54 PolarHBondContact O-N 2.93Å; P52-T55 CarbonylContact O-C 3.6Å; P52-T55 PolarHBondContact O-N 2.93Å; P52-T55 PolarHBondContact O-OG1 2.83Å; P52-N56 WeakPolarHBondContact O-CB 3.4Å; P52-N56 PolarHBondContact O-N 3.16Å
53R98.4Very high98.7Very high218 Ų21856 Ų5682%0.82331%0.308SS*.THydrogen-bonded Turntrans-53.8-33.3-173.6-173.9179-73.5-86.73.2113.9T55R53-T55 VanDerWaalsContact C-N 3.3Å; R53-T55 PolarHBondContact O-N 2.88Å
54S98Very high98.7Very high95 Ų9554.7 Ų54.766%0.66430%0.303SS*.THydrogen-bonded Turntrans-63.7-33.1176.949.50000113.3P52 K57P52-S54 PolarHBondContact O-N 2.93Å; S54-K57 PolarHBondContact O-NZ 2.8Å; S54-K57 VanDerWaalsContact O-NZ 3.16Å
55T98.3Very high98.7Very high52 Ų5256.2 Ų56.232%0.31931%0.311SS..THydrogen-bonded Turntrans-110.5-2.7-177.756.60000113.5P52 R53 K57P52-T55 CarbonylContact O-C 3.6Å; P52-T55 PolarHBondContact O-N 2.93Å; P52-T55 PolarHBondContact O-OG1 2.83Å; R53-T55 VanDerWaalsContact C-N 3.3Å; R53-T55 PolarHBondContact O-N 2.88Å; T55-K57 PolarHBondContact O-N 2.99Å
56N98.8Very high98.7Very high36 Ų3655 Ų5519%0.19330%0.301CS..  trans-73117.2173.1-159.7-65.9000109.8S47 F49 C51 P52 N271S47-N56 WeakPolarHBondContact OG-CA 3.29Å; F49-N56 PolarHBondContact O-ND2 2.85Å; C51-N56 HydrophobicContact CB-CB 4.11Å; C51-N56 PolarHBondContact O-ND2 2.78Å; C51-N56 VanDerWaalsContact O-ND2 3.17Å; P52-N56 WeakPolarHBondContact O-CB 3.4Å; P52-N56 PolarHBondContact O-N 3.16Å; N56-N271 PolarHBondContact O-ND2 3.24Å
57K98.9Very high98.7Very high34 Ų3455 Ų5515%0.14830%0.298CS..  trans-119.3117.7-176.6-57.3-55179.5-1630109.9G46 S47 S54 T55 N271 Y272G46-K57 WeakPolarHBondContact CA-O 3.32Å; G46-K57 PolarHBondContact N-O 2.87Å; S47-K57 PolarHBondContact N-O 2.84Å; S47-K57 VanDerWaalsContact N-O 3.15Å; S47-K57 PolarHBondContact OG-N 2.8Å; S54-K57 PolarHBondContact O-NZ 2.8Å; S54-K57 VanDerWaalsContact O-NZ 3.16Å; T55-K57 PolarHBondContact O-N 2.99Å; K57-N271 WeakPolarHBondContact CA-OD1 3.36Å; K57-Y272 HydrophobicContact CB-CD2 3.73Å; K57-Y272 HydrophobicContact CB-CE2 4.47Å; K57-Y272 HydrophobicContact CB-CG 4.18Å; K57-Y272 HydrophobicContact CG-CD2 4.46Å
58R98.9Very high98.7Very high49 Ų4959.1 Ų59.119%0.18532%0.322CS..EExtended strand (participates in β ladder)trans-155.6152.2175.664.392.8-177.686.93.1112.4E13 L44 G270 N271E13-R58 IonicContact OE1-CZ 2.64Å; E13-R58 IonicContact OE1-NH1 2.79Å; E13-R58 PolarHBondContact OE1-NH1 3.08Å; E13-R58 IonicContact OE1-NH2 2.6Å; E13-R58 PolarHBondContact OE1-NH2 3.33Å; E13-R58 IonicContact OE2-CZ 3.6Å; E13-R58 IonicContact OE2-NH1 3.96Å; E13-R58 PolarHBondContact OE2-NH1 2.93Å; E13-R58 IonicContact OE2-NH2 2.8Å; L44-R58 VanDerWaalsContact O-CA 3.31Å; L44-R58 WeakPolarHBondContact O-CA 3.35Å; R58-G270 WeakPolarHBondContact O-CA 3.47Å; R58-N271 PolarHBondContact N-OD1 2.99Å; R58-N271 PolarHBondContact O-N 3.47Å; R58-N271 PolarHBondContact O-OD1 2.74Å; R58-N271 VanDerWaalsContact O-OD1 3.1Å
59S98.9Very high98.7Very high0 Ų059.1 Ų59.10%032%0.319CS..EExtended strand (participates in β ladder)trans-135142.9170.9-65.30000111.3Q43 L44 H269 Y272Q43-S59 CarbonylContact C-O 3.43Å; Q43-S59 WeakPolarHBondContact CA-O 3.22Å; L44-S59 PolarHBondContact N-O 2.68Å; L44-S59 PolarHBondContact O-N 2.78Å; S59-H269 CarbonylContact C-O 3.58Å; S59-H269 WeakPolarHBondContact CA-O 3.42Å; S59-Y272 VanDerWaalsContact OG-C 3.29Å; S59-Y272 PolarHBondContact OG-N 3.08Å; S59-Y272 PolarHBondContact OG-O 3.07Å
60W98.9Very high98.7Very high20 Ų2055.3 Ų55.38%0.07630%0.303CS..EExtended strand (participates in β ladder)trans-99.7129.5170.4-75.587000109N30 N31 A41 E42 Q43 Y62 W268 H269N30-W60 HydrophobicContact CB-CD2 3.77Å; N30-W60 HydrophobicContact CB-CE3 4.07Å; N30-W60 HydrophobicContact CB-CG 4.27Å; N30-W60 HydrophobicContact CB-CH2 4.25Å; N30-W60 HydrophobicContact CB-CZ2 3.94Å; N30-W60 HydrophobicContact CB-CZ3 4.3Å; N30-W60 PolarHBondContact ND2-NE1 3.35Å; N31-W60 WeakPolarHBondContact ND2-CH2 3.13Å; N31-W60 WeakPolarHBondContact OD1-CH2 3.24Å; N31-W60 WeakPolarHBondContact OD1-CZ3 3.33Å; A41-W60 HydrophobicContact CB-CE3 4.31Å; A41-W60 HydrophobicContact CB-CZ3 4.26Å; E42-W60 CarbonylContact O-C 3.57Å; Q43-W60 HydrophobicContact CB-CD2 4.03Å; Q43-W60 HydrophobicContact CB-CE3 4.05Å; Q43-W60 HydrophobicContact CB-CH2 3.95Å; Q43-W60 HydrophobicContact CB-CZ2 3.94Å; Q43-W60 HydrophobicContact CB-CZ3 4.01Å; Q43-W60 HydrophobicContact CG-CD2 4.34Å; Q43-W60 HydrophobicContact CG-CZ2 4.12Å; W60-Y62 HydrophobicContact CB-CE2 4.18Å; W60-W268 CarbonylContact O-C 3.6Å; W60-W268 WeakPolarHBondContact O-CA 3.4Å; W60-W268 VanDerWaalsContact O-CB 3.28Å; W60-W268 WeakPolarHBondContact O-CB 3.11Å; W60-H269 WeakPolarHBondContact CB-NE2 3.29Å; W60-H269 AromaticContact CD1-CE1 3.61Å; W60-H269 AromaticContact CD1-NE2 3.95Å; W60-H269 AromaticContact CG-CE1 3.92Å; W60-H269 AromaticContact CG-NE2 3.8Å; W60-H269 PolarHBondContact N-O 2.83Å; W60-H269 PolarHBondContact O-N 2.8Å
61L98.9Very high98.7Very high1 Ų155 Ų551%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-114128.6-178.7-48.6179.9000108.2A41 E42 F169 V265 W268A41-L61 CarbonylContact C-O 3.48Å; A41-L61 WeakPolarHBondContact CA-O 3.42Å; E42-L61 HydrophobicContact CB-CB 4.41Å; E42-L61 PolarHBondContact N-O 2.9Å; E42-L61 PolarHBondContact O-N 3.1Å; L61-F169 HydrophobicContact CD2-CE1 3.86Å; L61-F169 HydrophobicContact CD2-CE2 4.44Å; L61-F169 HydrophobicContact CD2-CZ 3.81Å; L61-V265 HydrophobicContact CB-CG1 4.03Å; L61-V265 HydrophobicContact CB-CG2 4.26Å; L61-V265 HydrophobicContact CD1-CG2 4.35Å; L61-V265 HydrophobicContact CD2-CG1 4.24Å; L61-W268 HydrophobicContact CD2-CB 3.83Å
62Y98.9Very high98.7Very high0 Ų058.3 Ų58.30%031%0.311CS..EExtended strand (participates in β ladder)trans-107.8101.2172.9-59.5-84.9000108L25 P26 N30 C35 Y40 A41 W60 V266 A267 H269L25-Y62 HydrophobicContact CD2-CD2 3.52Å; L25-Y62 HydrophobicContact CD2-CE2 3.51Å; P26-Y62 WeakPolarHBondContact CD-OH 3.41Å; P26-Y62 HydrophobicContact CG-CD1 3.94Å; P26-Y62 HydrophobicContact CG-CE1 3.2Å; P26-Y62 HydrophobicContact CG-CE2 4.41Å; P26-Y62 VanDerWaalsContact CG-CZ 3.48Å; N30-Y62 WeakPolarHBondContact CA-OH 3.47Å; N30-Y62 PolarHBondContact O-OH 3.23Å; C35-Y62 HydrophobicContact CB-CD1 4.41Å; Y40-Y62 WeakPolarHBondContact O-CA 3.35Å; A41-Y62 HydrophobicContact CB-CD1 4.1Å; A41-Y62 HydrophobicContact CB-CE1 3.82Å; W60-Y62 HydrophobicContact CB-CE2 4.18Å; Y62-V266 PolarHBondContact O-N 3.37Å; Y62-A267 HydrophobicContact CD2-CB 4.48Å; Y62-A267 PolarHBondContact N-O 3.14Å; Y62-A267 PolarHBondContact O-N 2.67Å; Y62-H269 AromaticContact CE2-CD2 3.77Å; Y62-H269 PolarHBondContact OH-NE2 2.82Å
63R98.9Very high98.7Very high1 Ų157 Ų570%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-124.1154.7-163.363.4-171.1-62.8139.713.4112.9Y40 E42 L65 S67 E168 P262 N264 V265Y40-R63 PolarHBondContact N-O 3.02Å; Y40-R63 PolarHBondContact O-N 3.27Å; E42-R63 WeakPolarHBondContact OE1-CD 3.48Å; E42-R63 IonicContact OE1-CZ 3.15Å; E42-R63 IonicContact OE1-NE 3.81Å; E42-R63 IonicContact OE1-NH1 3.78Å; E42-R63 PolarHBondContact OE1-NH1 2.71Å; R63-L65 PolarHBondContact NE-O 3.37Å; R63-S67 VanDerWaalsContact CZ-OG 3.25Å; R63-S67 PolarHBondContact NH1-OG 3.25Å; R63-E168 IonicContact CZ-OE1 2.8Å; R63-E168 IonicContact NH1-OE1 2.83Å; R63-E168 PolarHBondContact NH1-OE1 3.21Å; R63-E168 IonicContact NH2-OE1 2.71Å; R63-P262 PolarHBondContact NH2-O 3.2Å; R63-P262 VanDerWaalsContact NH2-O 3.16Å; R63-N264 CarbonylContact C-O 3.6Å; R63-N264 VanDerWaalsContact CA-O 3.29Å; R63-N264 WeakPolarHBondContact CA-O 3.47Å; R63-N264 PolarHBondContact NE-OD1 2.84Å; R63-N264 PolarHBondContact NH2-OD1 3.04Å; R63-V265 HydrophobicContact CB-CG2 4.06Å
64I98.9Very high98.7Very high41 Ų4153.5 Ų53.521%0.2129%0.289CS..SBendtrans-67.4-44.1-176.2-60.6173.7000111.6L39 Y40 Y234 D236 N264 V266L39-I64 HydrophobicContact CD2-CG1 4.16Å; Y40-I64 VanDerWaalsContact CD2-O 3.29Å; Y40-I64 WeakPolarHBondContact CD2-O 3.38Å; Y40-I64 WeakPolarHBondContact CE2-O 3.35Å; I64-Y234 HydrophobicContact CD1-CD2 3.65Å; I64-Y234 HydrophobicContact CD1-CE2 3.89Å; I64-D236 HydrophobicContact CD1-CB 3.61Å; I64-N264 HydrophobicContact CB-CB 4.13Å; I64-N264 HydrophobicContact CD1-CB 4.23Å; I64-N264 HydrophobicContact CG1-CB 4.35Å; I64-N264 PolarHBondContact N-O 3.25Å; I64-V266 HydrophobicContact CD1-CG2 4.35Å; I64-V266 HydrophobicContact CG1-CG2 3.98Å
65L98.8Very high98.8Very high65 Ų6553.1 Ų53.134%0.3429%0.286SS..SBendtrans-133.1139.7173-79.6173.3000109.5Y40 R63 V260 N264Y40-L65 HydrophobicContact CE2-CD2 4.46Å; R63-L65 PolarHBondContact NE-O 3.37Å; L65-V260 HydrophobicContact CD1-CG1 4.1Å; L65-V260 HydrophobicContact CD1-CG2 3.86Å; L65-N264 PolarHBondContact N-ND2 2.72Å; L65-N264 PolarHBondContact O-ND2 2.99Å
66P98.8Very high98.8Very high25 Ų2553.5 Ų53.516%0.16229%0.286CS..  trans-70.6152.8-17732.1-36.4000111.8Y40 V68 S69Y40-P66 HydrophobicContact CD1-CB 4.47Å; Y40-P66 HydrophobicContact CD1-CG 4.15Å; Y40-P66 HydrophobicContact CE1-CG 4.41Å; Y40-P66 HydrophobicContact CG-CB 4.45Å; Y40-P66 HydrophobicContact CG-CG 4.33Å; P66-V68 HydrophobicContact CB-CG2 4.05Å; P66-V68 HydrophobicContact CG-CG2 3.96Å; P66-V68 PolarHBondContact O-N 2.68Å; P66-V68 VanDerWaalsContact O-N 3.08Å; P66-S69 WeakPolarHBondContact O-CB 3.49Å; P66-S69 PolarHBondContact O-N 2.64Å; P66-S69 VanDerWaalsContact O-N 3.1Å
67S98.8Very high98.8Very high19 Ų1958.1 Ų58.113%0.13331%0.311CS..THydrogen-bonded Turntrans-60.8-20.5-177.1-77.20000114.3E42 R63 S69 H70 R187E42-S67 VanDerWaalsContact OE1-CB 3.32Å; E42-S67 WeakPolarHBondContact OE1-CB 3.11Å; E42-S67 PolarHBondContact OE1-OG 2.82Å; E42-S67 VanDerWaalsContact OE2-CB 3.27Å; E42-S67 WeakPolarHBondContact OE2-CB 3.28Å; E42-S67 PolarHBondContact OE2-N 3.05Å; E42-S67 PolarHBondContact OE2-OG 2.79Å; R63-S67 VanDerWaalsContact CZ-OG 3.25Å; R63-S67 PolarHBondContact NH1-OG 3.25Å; S67-S69 PolarHBondContact O-N 2.59Å; S67-H70 PolarHBondContact O-CD2 3.32Å; S67-R187 PolarHBondContact O-NH2 2.67Å
68V98.6Very high98.7Very high111 Ų11158.7 Ų58.767%0.67331%0.314SS*.THydrogen-bonded Turntrans-72.1-14.9178.6-61.90000113.1P66 H70P66-V68 HydrophobicContact CB-CG2 4.05Å; P66-V68 HydrophobicContact CG-CG2 3.96Å; P66-V68 PolarHBondContact O-N 2.68Å; P66-V68 VanDerWaalsContact O-N 3.08Å; V68-H70 VanDerWaalsContact C-N 3.27Å; V68-H70 PolarHBondContact O-CD2 2.95Å; V68-H70 PolarHBondContact O-N 3.22Å
69S98.5Very high98.6Very high63 Ų6358.7 Ų58.744%0.44133%0.329SS..  trans-79.269.7179.5-62.30000112P66 S67 Q258P66-S69 WeakPolarHBondContact O-CB 3.49Å; P66-S69 PolarHBondContact O-N 2.64Å; P66-S69 VanDerWaalsContact O-N 3.1Å; S67-S69 PolarHBondContact O-N 2.59Å; S69-Q258 WeakPolarHBondContact O-CB 3.3Å
70H98.7Very high98.5Very high68 Ų6863 Ų6332%0.31535%0.349SS..SBendtrans-140.9160.8174.967.192.5000111.6S67 V68 F73 Q258S67-H70 PolarHBondContact O-CD2 3.32Å; V68-H70 VanDerWaalsContact C-N 3.27Å; V68-H70 PolarHBondContact O-CD2 2.95Å; V68-H70 PolarHBondContact O-N 3.22Å; H70-F73 AromaticContact CE1-CD2 3.85Å; H70-F73 AromaticContact CE1-CE2 3.48Å; H70-F73 VanDerWaalsContact CE1-CE2 3.48Å; H70-F73 WeakPolarHBondContact CE1-CE2 3.45Å; H70-F73 AromaticContact ND1-CE2 3.85Å; H70-Q258 HydrophobicContact CB-CB 4.08Å
71K98.7Very high98.5Very high131 Ų13162.5 Ų62.557%0.5735%0.348SS*.PPolyproline II helixtrans-72.3162.2170.6-66.7-171.5-179.8-176.10111A256 K257K71-A256 VanDerWaalsContact O-CB 3.3Å; K71-A256 WeakPolarHBondContact O-CB 3.47Å; K71-K257 WeakPolarHBondContact CB-O 3.5Å; K71-K257 HydrophobicContact CD-CB 4.44Å; K71-K257 PolarHBondContact N-O 3.12Å
72P98.8Very high98.5Very high107 Ų10764.2 Ų64.270%0.69536%0.359SS*.PPolyproline II helixtrans-52.4148.2173.6-27.236.4000112.8
73F98.9Very high98.5Very high61 Ų6165.6 Ų65.627%0.26837%0.365SS..PPolyproline II helixtrans-75.3138.8174.1-82.3-82.2000110.8H70 Y148 V245 N247 F254 A255 A256H70-F73 AromaticContact CE1-CD2 3.85Å; H70-F73 AromaticContact CE1-CE2 3.48Å; H70-F73 VanDerWaalsContact CE1-CE2 3.48Å; H70-F73 WeakPolarHBondContact CE1-CE2 3.45Å; H70-F73 AromaticContact ND1-CE2 3.85Å; F73-Y148 HydrophobicContact CE1-CE1 4.38Å; F73-Y148 AromaticContact CZ-CE1 3.88Å; F73-Y148 HydrophobicContact CZ-CE1 3.88Å; F73-V245 HydrophobicContact CE1-CG1 4.33Å; F73-V245 WeakPolarHBondContact CE1-O 3.41Å; F73-V245 HydrophobicContact CZ-CG1 4.14Å; F73-N247 HydrophobicContact CD1-CB 4.16Å; F73-N247 HydrophobicContact CE1-CB 3.63Å; F73-N247 HydrophobicContact CZ-CB 4.09Å; F73-F254 HydrophobicContact CB-CB 4.06Å; F73-F254 HydrophobicContact CD1-CB 3.79Å; F73-F254 HydrophobicContact CG-CB 4.27Å; F73-A255 WeakPolarHBondContact CA-O 3.25Å; F73-A256 HydrophobicContact CD1-CB 3.57Å; F73-A256 HydrophobicContact CD2-CB 4.07Å; F73-A256 HydrophobicContact CE1-CB 3.55Å; F73-A256 HydrophobicContact CE2-CB 4.05Å; F73-A256 HydrophobicContact CG-CB 3.82Å; F73-A256 HydrophobicContact CZ-CB 3.78Å
74E98.8Very high98.5Very high145 Ų14569.1 Ų69.168%0.67838%0.384SS*.EExtended strand (participates in β ladder)trans-117.6142.9174.5-64.7173.9-152.400109.4F254 A255E74-F254 CarbonylContact O-C 3.57Å; E74-F254 WeakPolarHBondContact O-CA 3.48Å; E74-A255 PolarHBondContact N-O 2.85Å; E74-A255 PolarHBondContact O-N 3.14Å
75S98.8Very high98.5Very high86 Ų8668.4 Ų68.460%0.60138%0.379SS*.EExtended strand (participates in β ladder)trans-63.8140.6176.9-162.60000110.3
76I98.7Very high98.4Very high60 Ų6072.6 Ų72.631%0.30840%0.401SS..  trans-126.2166.217163.9170.2000109.9E78 I246 L253 A255I76-E78 PolarHBondContact O-N 3.09Å; I76-I246 HydrophobicContact CD1-CD1 4.39Å; I76-I246 HydrophobicContact CD1-CG1 4.48Å; I76-I246 HydrophobicContact CD1-CG2 4.04Å; I76-L253 HydrophobicContact CD1-CB 3.97Å; I76-L253 HydrophobicContact CG1-CB 3.56Å; I76-L253 WeakPolarHBondContact CG1-O 3.48Å; I76-L253 PolarHBondContact N-O 3.09Å; I76-A255 HydrophobicContact CD1-CB 4.35Å; I76-A255 HydrophobicContact CG2-CB 3.72Å
77D97.8Very high98.4Very high134 Ų13473.6 Ų73.672%0.71740%0.404SS*.  trans-62.2133.1174.7-178.873.6000111.2G79D77-G79 VanDerWaalsContact C-N 3.27Å; D77-G79 PolarHBondContact O-N 3.21Å; D77-G79 VanDerWaalsContact OD2-CA 3.3Å; D77-G79 WeakPolarHBondContact OD2-CA 3.43Å; D77-G79 PolarHBondContact OD2-N 3.47Å
78E97.1Very high98.3Very high46 Ų4674 Ų7422%0.21541%0.405CS..  trans-75.8-12.7178.5-72.274-160.800114I76 H80 V81 K252 L253I76-E78 PolarHBondContact O-N 3.09Å; E78-H80 PolarHBondContact O-N 2.85Å; E78-V81 WeakPolarHBondContact O-CB 3.3Å; E78-V81 PolarHBondContact O-N 3.37Å; E78-K252 HydrophobicContact CG-CD 4.07Å; E78-K252 WeakPolarHBondContact OE1-CA 3.36Å; E78-K252 WeakPolarHBondContact OE1-CB 3.5Å; E78-K252 WeakPolarHBondContact OE1-CD 3.09Å; E78-L253 HydrophobicContact CG-CB 4.39Å; E78-L253 HydrophobicContact CG-CG 4.22Å; E78-L253 PolarHBondContact OE1-N 2.91Å; E78-L253 VanDerWaalsContact OE1-N 3.15Å
79G96.7Very high98.3Very high48 Ų4875.5 Ų75.550%0.49541%0.41SS..THydrogen-bonded Turntrans58.3-110.2-172.200000111.8D77D77-G79 VanDerWaalsContact C-N 3.27Å; D77-G79 PolarHBondContact O-N 3.21Å; D77-G79 VanDerWaalsContact OD2-CA 3.3Å; D77-G79 WeakPolarHBondContact OD2-CA 3.43Å; D77-G79 PolarHBondContact OD2-N 3.47Å
80H98.1Very high98.3Very high91 Ų9178.8 Ų78.842%0.42143%0.429SS..BIsolated β-bridgetrans-112.111179-65.2-63.4000113.6E78 T82 H117 T118 W411E78-H80 PolarHBondContact O-N 2.85Å; H80-T82 PolarHBondContact O-N 3.38Å; H80-H117 HydrophobicContact CB-CB 4.17Å; H80-H117 WeakPolarHBondContact CB-ND1 3.38Å; H80-H117 AromaticContact CD2-CE1 3.15Å; H80-H117 PolarHBondContact CD2-CE1 3.49Å; H80-H117 AromaticContact CD2-ND1 3.2Å; H80-H117 PolarHBondContact CD2-ND1 2.92Å; H80-H117 AromaticContact CG-CE1 3.81Å; H80-H117 AromaticContact CG-ND1 3.35Å; H80-H117 AromaticContact NE2-CE1 3.9Å; H80-T118 PolarHBondContact O-N 2.91Å; H80-W411 AromaticContact ND1-CD1 3.89Å
81V98.6Very high98.2Very high10 Ų1079 Ų796%0.06143%0.433CS..  trans-76.3119.2167.9-179.60000108.2E78 L116 T118 K248E78-V81 WeakPolarHBondContact O-CB 3.3Å; E78-V81 PolarHBondContact O-N 3.37Å; V81-L116 HydrophobicContact CG2-CB 3.72Å; V81-L116 HydrophobicContact CG2-CD1 4.41Å; V81-T118 WeakPolarHBondContact CA-OG1 3.45Å; V81-K248 HydrophobicContact CG1-CD 4.3Å
82T98.6Very high98.1Very high37 Ų3776.8 Ų76.823%0.22743%0.432CS..  trans-143.8161.5178.9-175.90000110.7H80 N84 T118 T409H80-T82 PolarHBondContact O-N 3.38Å; T82-N84 PolarHBondContact OG1-N 2.84Å; T82-T118 PolarHBondContact N-OG1 2.75Å; T82-T118 VanDerWaalsContact N-OG1 3.1Å; T82-T118 WeakPolarHBondContact O-CG2 3.44Å; T82-T118 PolarHBondContact O-OG1 3.4Å; T82-T409 HydrophobicContact CG2-CG2 3.58Å
83H98.7Very high98Very high28 Ų2876.8 Ų76.813%0.1343%0.426CS..  trans-141.611.6176.458.3-98.1000111.7W85 I125 Q250 G251 K252H83-W85 HydrophobicContact CB-CH2 4.42Å; H83-W85 HydrophobicContact CB-CZ2 3.98Å; H83-W85 PolarHBondContact O-N 2.92Å; H83-W85 VanDerWaalsContact O-N 3.12Å; H83-W85 PolarHBondContact O-NE1 2.95Å; H83-I125 HydrophobicContact CB-CG2 4.12Å; H83-Q250 PolarHBondContact CE1-O 3.11Å; H83-G251 PolarHBondContact CE1-O 2.87Å; H83-G251 WeakPolarHBondContact ND1-CA 3.31Å; H83-G251 PolarHBondContact ND1-O 2.84Å; H83-G251 VanDerWaalsContact ND1-O 3.15Å; H83-K252 PolarHBondContact CE1-NZ 3.11Å
84N98.6Very high97.8Very high76 Ų7676 Ų7641%0.40642%0.423SS..  trans-84.185.8178.3-174.814.3000109.1T82 D86 E87T82-N84 PolarHBondContact OG1-N 2.84Å; N84-D86 PolarHBondContact O-N 2.9Å; N84-D86 PolarHBondContact OD1-N 3.34Å; N84-E87 HydrophobicContact CB-CB 4.32Å; N84-E87 WeakPolarHBondContact O-CB 3.27Å; N84-E87 WeakPolarHBondContact O-CG 3.23Å; N84-E87 PolarHBondContact O-N 2.96Å
85W98.7Very high97.7Very high26 Ų2669.8 Ų69.810%0.09840%0.395CS..G310 helixtrans-70.3-18179.9-43.5125.8000112.9H83 E87 T118 G121 G123 A132 A407 T409H83-W85 HydrophobicContact CB-CH2 4.42Å; H83-W85 HydrophobicContact CB-CZ2 3.98Å; H83-W85 PolarHBondContact O-N 2.92Å; H83-W85 VanDerWaalsContact O-N 3.12Å; H83-W85 PolarHBondContact O-NE1 2.95Å; W85-E87 PolarHBondContact O-N 3.19Å; W85-T118 HydrophobicContact CH2-CG2 3.75Å; W85-T118 HydrophobicContact CZ3-CG2 3.86Å; W85-G121 VanDerWaalsContact CH2-CA 3.49Å; W85-G121 VanDerWaalsContact CZ3-N 3.35Å; W85-G123 PolarHBondContact NE1-O 2.94Å; W85-G123 VanDerWaalsContact NE1-O 3.07Å; W85-A132 HydrophobicContact CH2-CB 3.77Å; W85-A132 HydrophobicContact CZ2-CB 4.08Å; W85-A407 HydrophobicContact CB-CB 4.11Å; W85-T409 HydrophobicContact CE3-CG2 4.33Å; W85-T409 HydrophobicContact CZ3-CG2 3.83Å
86D98.3Very high97.5Very high152 Ų15266.6 Ų66.681%0.81337%0.369SS*.G310 helixtrans-82.12.7177.9-59.7-21000112.6N84N84-D86 PolarHBondContact O-N 2.9Å; N84-D86 PolarHBondContact OD1-N 3.34Å
87E97.8Very high97.5Very high46 Ų4663.8 Ų63.822%0.21536%0.355CS..G310 helixtrans-82-13.8-17584.3172.1170.300114.8N84 W85 K410N84-E87 HydrophobicContact CB-CB 4.32Å; N84-E87 WeakPolarHBondContact O-CB 3.27Å; N84-E87 WeakPolarHBondContact O-CG 3.23Å; N84-E87 PolarHBondContact O-N 2.96Å; W85-E87 PolarHBondContact O-N 3.19Å; E87-K410 HydrophobicContact CG-CD 4.2Å; E87-K410 HydrophobicContact CG-CG 3.93Å; E87-K410 WeakPolarHBondContact O-CE 3.11Å; E87-K410 PolarHBondContact OE1-N 2.66Å; E87-K410 VanDerWaalsContact OE2-CD 3.32Å; E87-K410 WeakPolarHBondContact OE2-CD 3.26Å; E87-K410 WeakPolarHBondContact OE2-CE 3.31Å; E87-K410 IonicContact OE2-NZ 3.93Å; E87-K410 PolarHBondContact OE2-NZ 2.74Å
88V97.6Very high97.4Very high27 Ų2763.2 Ų63.216%0.16435%0.346CS..SBendtrans-127136179.1-176.20000107.7V408 K410 L413V88-V408 HydrophobicContact CG1-CG1 4.36Å; V88-V408 WeakPolarHBondContact CG2-O 3.25Å; V88-K410 HydrophobicContact CG2-CG 3.94Å; V88-L413 HydrophobicContact CG1-CD2 3.67Å
89D98Very high97.4Very high144 Ų14463 Ų6377%0.7735%0.349SS*.  trans-61.2142174.7-64.8-34.8000110.6D91D89-D91 PolarHBondContact O-N 2.87Å
90P98.1Very high97.5Very high131 Ų13160.8 Ų60.885%0.85133%0.325SS*.  trans-56.7128175.6-2634.7000112.2
91D96.8Very high97.4Very high74 Ų7463.6 Ų63.640%0.39634%0.339SS..  trans-125.2114.6175-170.5-16.6000109.6D89 N93D89-D91 PolarHBondContact O-N 2.87Å; D91-N93 PolarHBondContact O-N 2.78Å; D91-N93 WeakPolarHBondContact OD1-CB 3.3Å; D91-N93 VanDerWaalsContact OD1-CG 3.23Å; D91-N93 PolarHBondContact OD1-N 2.79Å; D91-N93 PolarHBondContact OD1-ND2 2.77Å
92P96.9Very high97.4Very high83 Ų8363.6 Ų63.654%0.53934%0.338SS..  trans-77.6-7.4179.433.4-36.1000112.9S366 T369P92-S366 PolarHBondContact O-OG 2.82Å; P92-T369 PolarHBondContact O-OG1 2.92Å
93N96.7Very high97.2Very high107 Ų10763.5 Ų63.557%0.57234%0.338SS*.SBendtrans-62.6150.3-178.5-68.6-56.4000112.1D91 L95D91-N93 PolarHBondContact O-N 2.78Å; D91-N93 WeakPolarHBondContact OD1-CB 3.3Å; D91-N93 VanDerWaalsContact OD1-CG 3.23Å; D91-N93 PolarHBondContact OD1-N 2.79Å; D91-N93 PolarHBondContact OD1-ND2 2.77Å; N93-L95 PolarHBondContact O-N 3.44Å
94Q94.6Very high97.1Very high44 Ų4466.3 Ų66.321%0.20635%0.35CS..  trans-71.6128.7176.9-46.1-177.637.600109H365 T369 P370 Y423Q94-H365 PolarHBondContact OE1-CE1 2.65Å; Q94-H365 PolarHBondContact OE1-ND1 2.93Å; Q94-H365 VanDerWaalsContact OE1-ND1 3.14Å; Q94-T369 HydrophobicContact CG-CG2 3.57Å; Q94-P370 PolarHBondContact NE2-O 2.68Å; Q94-Y423 HydrophobicContact CB-CD1 3.7Å; Q94-Y423 HydrophobicContact CB-CE1 3.72Å
95L96.3Very high96.8Very high16 Ų1664.2 Ų64.28%0.08434%0.343CS..EExtended strand (participates in β ladder)trans-106.5144.4178.8-57.6177.1000110.1N93 W97 S363 L364 V408 L419N93-L95 PolarHBondContact O-N 3.44Å; L95-W97 HydrophobicContact CB-CH2 3.61Å; L95-W97 HydrophobicContact CB-CZ2 3.87Å; L95-W97 HydrophobicContact CB-CZ3 4.06Å; L95-W97 HydrophobicContact CD1-CH2 3.9Å; L95-W97 HydrophobicContact CD1-CZ2 3.84Å; L95-W97 HydrophobicContact CG-CH2 4.42Å; L95-W97 HydrophobicContact CG-CZ2 4.5Å; L95-S363 CarbonylContact O-C 3.57Å; L95-S363 WeakPolarHBondContact O-CA 3.38Å; L95-S363 VanDerWaalsContact O-CB 3.29Å; L95-S363 WeakPolarHBondContact O-CB 3.46Å; L95-L364 HydrophobicContact CB-CB 4.34Å; L95-L364 PolarHBondContact N-O 3.47Å; L95-L364 PolarHBondContact O-N 2.67Å; L95-V408 HydrophobicContact CD1-CB 4.09Å; L95-V408 HydrophobicContact CD1-CG1 4.08Å; L95-V408 HydrophobicContact CD1-CG2 4.24Å; L95-L419 HydrophobicContact CB-CD1 3.98Å; L95-L419 HydrophobicContact CD2-CD1 3.92Å; L95-L419 HydrophobicContact CD2-CD2 4.36Å; L95-L419 HydrophobicContact CG-CD1 4.44Å
96R96Very high96.6Very high19 Ų1968.4 Ų68.47%0.07238%0.377CS..EExtended strand (participates in β ladder)trans-140.7134.6172.5-178167.968174.4-2110G355 G356 G362 L419 D420 Y423R96-G355 PolarHBondContact NH1-O 3.16Å; R96-G356 WeakPolarHBondContact CD-O 3.13Å; R96-G362 CarbonylContact C-O 3.52Å; R96-G362 WeakPolarHBondContact CA-O 3.39Å; R96-L419 CarbonylContact O-C 3.45Å; R96-L419 WeakPolarHBondContact O-CA 3.29Å; R96-D420 HydrophobicContact CB-CB 4.46Å; R96-D420 IonicContact CZ-OD2 2.67Å; R96-D420 VanDerWaalsContact CZ-OD2 3.31Å; R96-D420 IonicContact NE-OD2 2.85Å; R96-D420 PolarHBondContact NE-OD2 3.36Å; R96-D420 VanDerWaalsContact NE-OD2 3.17Å; R96-D420 IonicContact NH2-OD2 2.8Å; R96-D420 PolarHBondContact NH2-OD2 3.12Å; R96-D420 PolarHBondContact O-N 3.33Å; R96-Y423 HydrophobicContact CB-CD1 3.57Å; R96-Y423 HydrophobicContact CB-CD2 4.06Å; R96-Y423 HydrophobicContact CB-CE1 3.94Å; R96-Y423 HydrophobicContact CB-CE2 4.4Å; R96-Y423 HydrophobicContact CB-CG 3.63Å; R96-Y423 VanDerWaalsContact NE-CD2 3.3Å
97W97.4Very high96.4Very high0 Ų068.5 Ų68.50%037%0.372CS..EExtended strand (participates in β ladder)trans-114134.7177.4-60.2-89.5000110.8L95 F100 L119 F342 G361 G362 L364 V408 G412 C418 L419L95-W97 HydrophobicContact CB-CH2 3.61Å; L95-W97 HydrophobicContact CB-CZ2 3.87Å; L95-W97 HydrophobicContact CB-CZ3 4.06Å; L95-W97 HydrophobicContact CD1-CH2 3.9Å; L95-W97 HydrophobicContact CD1-CZ2 3.84Å; L95-W97 HydrophobicContact CG-CH2 4.42Å; L95-W97 HydrophobicContact CG-CZ2 4.5Å; W97-F100 HydrophobicContact CB-CE1 4.03Å; W97-F100 HydrophobicContact CB-CE2 4.28Å; W97-F100 HydrophobicContact CB-CZ 3.65Å; W97-F100 AromaticContact CD1-CE1 3.94Å; W97-F100 HydrophobicContact CD2-CZ 4.23Å; W97-F100 AromaticContact CG-CE1 3.98Å; W97-F100 HydrophobicContact CG-CE1 3.98Å; W97-F100 AromaticContact CG-CZ 3.72Å; W97-F100 HydrophobicContact CG-CZ 3.72Å; W97-L119 HydrophobicContact CD2-CD1 4.25Å; W97-L119 HydrophobicContact CE3-CD2 4.39Å; W97-L119 HydrophobicContact CH2-CD1 4.31Å; W97-L119 HydrophobicContact CH2-CD2 4.46Å; W97-L119 HydrophobicContact CH2-CG 4.48Å; W97-L119 HydrophobicContact CZ2-CD1 3.87Å; W97-L119 HydrophobicContact CZ2-CG 4.5Å; W97-L119 HydrophobicContact CZ3-CD2 4.26Å; W97-F342 HydrophobicContact CZ3-CD2 4.48Å; W97-F342 HydrophobicContact CZ3-CE2 4.34Å; W97-G361 VanDerWaalsContact O-CA 3.24Å; W97-G361 WeakPolarHBondContact O-CA 3.42Å; W97-G362 PolarHBondContact N-O 3.19Å; W97-G362 PolarHBondContact O-N 2.86Å; W97-L364 HydrophobicContact CH2-CB 3.81Å; W97-L364 HydrophobicContact CH2-CD2 4.41Å; W97-L364 HydrophobicContact CZ3-CB 3.77Å; W97-V408 HydrophobicContact CZ2-CG2 3.92Å; W97-G412 PolarHBondContact NE1-O 3.3Å; W97-C418 CarbonylContact C-O 3.56Å; W97-C418 WeakPolarHBondContact CA-O 3.17Å; W97-C418 HydrophobicContact CB-CB 4.24Å; W97-L419 HydrophobicContact CD2-CD1 4.42Å; W97-L419 HydrophobicContact CZ2-CD1 4.32Å
98K96.2Very high96.4Very high123 Ų12373.3 Ų73.354%0.53539%0.392SS..PPolyproline II helixtrans-62.7166.3160.9-66.2175.7-175.3171.60110.2F100 C418K98-F100 PolarHBondContact O-N 3.07Å; K98-C418 HydrophobicContact CB-CB 4.46Å; K98-C418 PolarHBondContact N-O 2.97Å
99P96.9Very high96.4Very high41 Ų4179 Ų7927%0.26642%0.415SS..PPolyproline II helixtrans-55.1124.7177.7-27.136.4000112.9E101 L358 P359 G360P99-E101 PolarHBondContact O-N 2.64Å; P99-L358 HydrophobicContact CG-CB 3.67Å; P99-L358 HydrophobicContact CG-CD1 4.47Å; P99-P359 WeakPolarHBondContact CG-O 3.36Å; P99-G360 WeakPolarHBondContact CA-O 3.1Å
100F97.9Very high96.4Very high1 Ų172.6 Ų72.60%0.00438%0.381CS..PPolyproline II helixtrans-63.1134.5-177.3-61.9-80.8000111.6W97 K98 L119 I135 L137 R197 G360 W411 C418W97-F100 HydrophobicContact CB-CE1 4.03Å; W97-F100 HydrophobicContact CB-CE2 4.28Å; W97-F100 HydrophobicContact CB-CZ 3.65Å; W97-F100 AromaticContact CD1-CE1 3.94Å; W97-F100 HydrophobicContact CD2-CZ 4.23Å; W97-F100 AromaticContact CG-CE1 3.98Å; W97-F100 HydrophobicContact CG-CE1 3.98Å; W97-F100 AromaticContact CG-CZ 3.72Å; W97-F100 HydrophobicContact CG-CZ 3.72Å; K98-F100 PolarHBondContact O-N 3.07Å; F100-L119 HydrophobicContact CE1-CD1 4.18Å; F100-L119 HydrophobicContact CZ-CD1 3.91Å; F100-L119 HydrophobicContact CZ-CD2 4.15Å; F100-I135 HydrophobicContact CB-CG2 4.1Å; F100-I135 HydrophobicContact CD2-CB 4.38Å; F100-I135 HydrophobicContact CD2-CD1 4.02Å; F100-I135 HydrophobicContact CD2-CG1 3.84Å; F100-I135 HydrophobicContact CD2-CG2 3.76Å; F100-I135 HydrophobicContact CE1-CG1 4.49Å; F100-I135 HydrophobicContact CE2-CD1 3.66Å; F100-I135 HydrophobicContact CE2-CG1 3.64Å; F100-I135 HydrophobicContact CE2-CG2 4.43Å; F100-I135 HydrophobicContact CG-CG1 4.38Å; F100-I135 HydrophobicContact CG-CG2 4Å; F100-I135 HydrophobicContact CZ-CD1 4.34Å; F100-I135 HydrophobicContact CZ-CG1 3.99Å; F100-L137 HydrophobicContact CB-CD1 4.11Å; F100-L137 HydrophobicContact CB-CD2 3.86Å; F100-R197 WeakPolarHBondContact O-CD 3.23Å; F100-R197 PolarHBondContact O-NH1 3.35Å; F100-G360 VanDerWaalsContact CD2-O 3.23Å; F100-G360 WeakPolarHBondContact CD2-O 2.95Å; F100-G360 PolarHBondContact N-O 3.06Å; F100-W411 AromaticContact CD1-CH2 3.47Å; F100-W411 HydrophobicContact CD1-CH2 3.47Å; F100-W411 VanDerWaalsContact CD1-CH2 3.47Å; F100-W411 HydrophobicContact CD1-CZ2 4.11Å; F100-W411 HydrophobicContact CD1-CZ3 4.27Å; F100-W411 AromaticContact CE1-CH2 3.63Å; F100-W411 HydrophobicContact CE1-CH2 3.63Å; F100-W411 AromaticContact CE1-CZ3 3.96Å; F100-W411 HydrophobicContact CE1-CZ3 3.96Å; F100-W411 HydrophobicContact CG-CH2 4.23Å; F100-C418 HydrophobicContact CD1-CB 4.2Å; F100-C418 HydrophobicContact CE1-CB 4.36Å
101E96.9Very high96.5Very high150 Ų15067.1 Ų67.170%0.70134%0.344SS*.PPolyproline II helixtrans-72.1129.5-175.6-172.4176.7177.200111.8P99 L137P99-E101 PolarHBondContact O-N 2.64Å; E101-L137 WeakPolarHBondContact O-CD1 3.43Å
102I97.9Very high96.6Very high10 Ų1063.6 Ų63.65%0.05133%0.326CS..PPolyproline II helixtrans-88.5128.3176.4-51.8169.9000108K104 L137 C138 K160 E195 R197I102-K104 PolarHBondContact O-N 2.81Å; I102-L137 HydrophobicContact CG1-CD2 4.16Å; I102-C138 WeakPolarHBondContact CG2-O 3.39Å; I102-K160 HydrophobicContact CD1-CD 3.91Å; I102-E195 HydrophobicContact CB-CB 4.36Å; I102-E195 HydrophobicContact CD1-CB 4.01Å; I102-E195 HydrophobicContact CG2-CB 3.85Å; I102-E195 HydrophobicContact CG2-CG 4.09Å; I102-R197 HydrophobicContact CD1-CB 3.74Å; I102-R197 HydrophobicContact CG1-CB 3.97Å
103P95.1Very high96.6Very high35 Ų3560 Ų6023%0.22730%0.302CS..PPolyproline II helixtrans-59.3132.9175.924.2-32.8000110A105 V110 N139P103-A105 PolarHBondContact O-N 3.21Å; P103-V110 HydrophobicContact CB-CG2 4.15Å; P103-V110 HydrophobicContact CG-CB 3.99Å; P103-V110 HydrophobicContact CG-CG1 4.34Å; P103-V110 HydrophobicContact CG-CG2 3.77Å; P103-N139 PolarHBondContact O-ND2 3.48Å
104K95.4Very high96.7Very high87 Ų8758.4 Ų58.438%0.37830%0.299SS..PPolyproline II helixtrans-69.6133179.1-63.7-57.4-173.3-179.10110.6I102 S106 Q107 K108 E195I102-K104 PolarHBondContact O-N 2.81Å; K104-S106 PolarHBondContact O-N 2.76Å; K104-S106 VanDerWaalsContact O-N 3.11Å; K104-Q107 HydrophobicContact CB-CB 4.42Å; K104-Q107 HydrophobicContact CB-CG 4.08Å; K104-Q107 PolarHBondContact O-N 3.31Å; K104-K108 PolarHBondContact O-N 3.25Å; K104-E195 WeakPolarHBondContact CD-OE1 3.25Å; K104-E195 VanDerWaalsContact NZ-CD 3.28Å; K104-E195 IonicContact NZ-OE1 2.74Å; K104-E195 PolarHBondContact NZ-OE1 3.4Å; K104-E195 IonicContact NZ-OE2 3.77Å; K104-E195 PolarHBondContact NZ-OE2 3.12Å
105A93.3Very high96.9Very high32 Ų3256.3 Ų56.326%0.26429%0.289SS..THydrogen-bonded Turntrans-60.7-23.2179.300000113.5P103 Q107 K109 N139P103-A105 PolarHBondContact O-N 3.21Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-K109 WeakPolarHBondContact O-CE 3.15Å; A105-N139 HydrophobicContact CB-CB 4.06Å
106S94.6Very high97Very high115 Ų11555.9 Ų55.980%0.80429%0.287SS*.THydrogen-bonded Turntrans-75.3-18.8173.752.60000113.8K104K104-S106 PolarHBondContact O-N 2.76Å; K104-S106 VanDerWaalsContact O-N 3.11Å
107Q95Very high97.1Very high154 Ų15456 Ų5672%0.7229%0.289SS*.THydrogen-bonded Turntrans-99.2-48179.8-66.3173.6-21.700111.5K104 A105K104-Q107 HydrophobicContact CB-CB 4.42Å; K104-Q107 HydrophobicContact CB-CG 4.08Å; K104-Q107 PolarHBondContact O-N 3.31Å; A105-Q107 VanDerWaalsContact C-N 3.34Å
108K96.6Very high97.2Very high146 Ų14656 Ų5664%0.63529%0.289SS*.  trans-151.1130.9-178.9-170.5179.4179.1-176.80109.9K104 V110 N139K104-K108 PolarHBondContact O-N 3.25Å; K108-V110 HydrophobicContact CB-CG2 4.25Å; K108-V110 HydrophobicContact CD-CG2 3.97Å; K108-V110 HydrophobicContact CG-CG2 3.84Å; K108-N139 PolarHBondContact O-ND2 3.18Å
109K98.1Very high97.3Very high147 Ų14750.2 Ų50.264%0.63926%0.263SS*.  trans-77.2121.7169.9-62.2-68.51781770108.7A105 T140A105-K109 WeakPolarHBondContact O-CE 3.15Å; K109-T140 HydrophobicContact CD-CG2 4.39Å; K109-T140 WeakPolarHBondContact CD-OG1 3.46Å
110V98.6Very high97.4Very high10 Ų1048.2 Ų48.26%0.06125%0.251CS..  trans-135.5119.3-176.9-176.70000107.3P103 K108 L137 C138 N139 T140P103-V110 HydrophobicContact CB-CG2 4.15Å; P103-V110 HydrophobicContact CG-CB 3.99Å; P103-V110 HydrophobicContact CG-CG1 4.34Å; P103-V110 HydrophobicContact CG-CG2 3.77Å; K108-V110 HydrophobicContact CB-CG2 4.25Å; K108-V110 HydrophobicContact CD-CG2 3.97Å; K108-V110 HydrophobicContact CG-CG2 3.84Å; V110-L137 WeakPolarHBondContact CG1-O 3.36Å; V110-C138 CarbonylContact O-C 3.54Å; V110-C138 WeakPolarHBondContact O-CA 3.26Å; V110-C138 WeakPolarHBondContact O-CB 3.47Å; V110-N139 PolarHBondContact N-OD1 3.34Å; V110-N139 PolarHBondContact O-N 2.96Å; V110-N139 PolarHBondContact O-OD1 3.46Å; V110-T140 PolarHBondContact O-N 3.15Å
111D98.7Very high97.5Very high15 Ų1548.2 Ų48.28%0.0825%0.251CS..  trans-92.7-176172.475.26.9000111.6V113 S114 G115 C138 T140 M142 R145D111-V113 PolarHBondContact O-N 3.46Å; D111-V113 PolarHBondContact OD1-N 3.38Å; D111-S114 PolarHBondContact O-N 3.43Å; D111-S114 WeakPolarHBondContact OD1-CB 3.2Å; D111-S114 PolarHBondContact OD1-N 3.11Å; D111-S114 PolarHBondContact OD1-OG 3.21Å; D111-G115 PolarHBondContact O-N 2.82Å; D111-C138 VanDerWaalsContact O-CB 3.3Å; D111-C138 WeakPolarHBondContact O-CB 3.49Å; D111-T140 WeakPolarHBondContact CA-O 3.41Å; D111-T140 WeakPolarHBondContact CB-O 3.29Å; D111-M142 HydrophobicContact CB-CG 3.94Å; D111-M142 WeakPolarHBondContact OD2-CG 3.35Å; D111-R145 IonicContact OD1-CZ 2.78Å; D111-R145 IonicContact OD1-NE 3.11Å; D111-R145 IonicContact OD1-NH2 3.7Å; D111-R145 PolarHBondContact OD1-NH2 3.37Å; D111-R145 IonicContact OD2-CZ 3.93Å; D111-R145 IonicContact OD2-NE 3.56Å; D111-R145 PolarHBondContact OD2-NE 2.79Å; D111-R145 IonicContact OD2-NH2 3.84Å; D111-R145 PolarHBondContact OD2-NH2 3.32Å
112F98.8Very high97.6Very high1 Ų141.3 Ų41.30%0.00422%0.22CC..THydrogen-bonded Turntrans-54.4-51.3-176.1-179.2-94.3000113.6G115 L116 F136 M142 I156 F188 I190 L200F112-G115 CarbonylContact O-C 3.29Å; F112-G115 PolarHBondContact O-N 2.97Å; F112-L116 HydrophobicContact CE1-CD1 4.35Å; F112-L116 HydrophobicContact CE1-CD2 4.27Å; F112-L116 HydrophobicContact CE1-CG 4.46Å; F112-L116 HydrophobicContact CZ-CD2 4.27Å; F112-L116 PolarHBondContact O-N 3.19Å; F112-F136 HydrophobicContact CD2-CB 4Å; F112-F136 HydrophobicContact CD2-CD2 4.08Å; F112-F136 HydrophobicContact CD2-CG 4.01Å; F112-F136 HydrophobicContact CE2-CB 3.77Å; F112-F136 AromaticContact CE2-CD1 3.75Å; F112-F136 HydrophobicContact CE2-CD1 3.75Å; F112-F136 AromaticContact CE2-CD2 3.98Å; F112-F136 HydrophobicContact CE2-CD2 3.98Å; F112-F136 HydrophobicContact CE2-CE1 4.25Å; F112-F136 HydrophobicContact CE2-CE2 4.46Å; F112-F136 AromaticContact CE2-CG 3.58Å; F112-F136 HydrophobicContact CE2-CG 3.58Å; F112-F136 HydrophobicContact CZ-CB 4.48Å; F112-F136 HydrophobicContact CZ-CD1 4.44Å; F112-M142 HydrophobicContact CB-CG 4.33Å; F112-M142 HydrophobicContact CB-SD 4.04Å; F112-I156 HydrophobicContact CZ-CD1 4.36Å; F112-F188 HydrophobicContact CD1-CE2 4.31Å; F112-F188 HydrophobicContact CE1-CE2 4.01Å; F112-F188 HydrophobicContact CE1-CZ 4.22Å; F112-I190 HydrophobicContact CB-CB 4.2Å; F112-I190 HydrophobicContact CB-CD1 4.41Å; F112-I190 HydrophobicContact CD1-CD1 3.94Å; F112-I190 HydrophobicContact CD2-CD1 3.71Å; F112-I190 HydrophobicContact CE1-CD1 4.07Å; F112-I190 HydrophobicContact CE2-CD1 3.83Å; F112-I190 HydrophobicContact CG-CB 4.47Å; F112-I190 HydrophobicContact CG-CD1 3.75Å; F112-I190 HydrophobicContact CG-CG1 4.46Å; F112-I190 HydrophobicContact CZ-CD1 4Å; F112-L200 HydrophobicContact CZ-CD1 3.95Å
113V98.3Very high97.6Very high7 Ų742.3 Ų42.34%0.04223%0.232CC..THydrogen-bonded Turntrans-69.1-44-175.8177.50000110.9D111 G115 L116 M142 F147 I246D111-V113 PolarHBondContact O-N 3.46Å; D111-V113 PolarHBondContact OD1-N 3.38Å; V113-G115 PolarHBondContact O-N 3.02Å; V113-L116 PolarHBondContact O-N 3.18Å; V113-M142 HydrophobicContact CG2-CE 3.48Å; V113-M142 VanDerWaalsContact CG2-CE 3.48Å; V113-M142 HydrophobicContact CG2-SD 4.08Å; V113-F147 HydrophobicContact CG1-CD2 4.39Å; V113-F147 HydrophobicContact CG2-CB 3.66Å; V113-F147 HydrophobicContact CG2-CD1 4.09Å; V113-F147 HydrophobicContact CG2-CD2 4.24Å; V113-F147 HydrophobicContact CG2-CG 3.78Å; V113-I246 HydrophobicContact CG1-CD1 4.18Å; V113-I246 HydrophobicContact CG1-CG2 4.41Å
114S98.3Very high97.8Very high73 Ų7344 Ų4451%0.5124%0.239SC..THydrogen-bonded Turntrans-68.4-20.4178.4-62.20000112.8D111 R145D111-S114 PolarHBondContact O-N 3.43Å; D111-S114 WeakPolarHBondContact OD1-CB 3.2Å; D111-S114 PolarHBondContact OD1-N 3.11Å; D111-S114 PolarHBondContact OD1-OG 3.21Å; S114-R145 PolarHBondContact OG-NH2 2.87Å
115G98.3Very high97.9Very high0 Ų040.2 Ų40.20%022%0.223CC..THydrogen-bonded Turntrans-9713.3177.300000113.9D111 F112 V113 H117 F136 L137D111-G115 PolarHBondContact O-N 2.82Å; F112-G115 CarbonylContact O-C 3.29Å; F112-G115 PolarHBondContact O-N 2.97Å; V113-G115 PolarHBondContact O-N 3.02Å; G115-H117 PolarHBondContact O-CD2 3.47Å; G115-F136 CarbonylContact O-C 3.59Å; G115-F136 VanDerWaalsContact O-CA 3.3Å; G115-F136 WeakPolarHBondContact O-CA 3.38Å; G115-L137 WeakPolarHBondContact CA-O 3.45Å; G115-L137 PolarHBondContact O-N 2.85Å
116L98.7Very high98.2Very high7 Ų745.6 Ų45.64%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-79122.9173.8-78.5171.2000110.8V81 F112 V113 H134 F136 F147 L200V81-L116 HydrophobicContact CG2-CB 3.72Å; V81-L116 HydrophobicContact CG2-CD1 4.41Å; F112-L116 HydrophobicContact CE1-CD1 4.35Å; F112-L116 HydrophobicContact CE1-CD2 4.27Å; F112-L116 HydrophobicContact CE1-CG 4.46Å; F112-L116 HydrophobicContact CZ-CD2 4.27Å; F112-L116 PolarHBondContact O-N 3.19Å; V113-L116 PolarHBondContact O-N 3.18Å; L116-H134 HydrophobicContact CD2-CB 4.26Å; L116-F136 HydrophobicContact CD2-CB 4.17Å; L116-F147 HydrophobicContact CD1-CE1 4.29Å; L116-L200 HydrophobicContact CD2-CD1 4.21Å
117H98.8Very high98.3Very high23 Ų2344.1 Ų44.111%0.10623%0.23CC..EExtended strand (participates in β ladder)trans-121.8116.3174.4-61-101.4000109.8H80 G115 L119 H134 I135 W411H80-H117 HydrophobicContact CB-CB 4.17Å; H80-H117 WeakPolarHBondContact CB-ND1 3.38Å; H80-H117 AromaticContact CD2-CE1 3.15Å; H80-H117 PolarHBondContact CD2-CE1 3.49Å; H80-H117 AromaticContact CD2-ND1 3.2Å; H80-H117 PolarHBondContact CD2-ND1 2.92Å; H80-H117 AromaticContact CG-CE1 3.81Å; H80-H117 AromaticContact CG-ND1 3.35Å; H80-H117 AromaticContact NE2-CE1 3.9Å; G115-H117 PolarHBondContact O-CD2 3.47Å; H117-L119 PolarHBondContact O-N 2.79Å; H117-H134 CarbonylContact O-C 3.47Å; H117-H134 VanDerWaalsContact O-CA 3.24Å; H117-H134 WeakPolarHBondContact O-CA 3.47Å; H117-I135 PolarHBondContact N-O 2.81Å; H117-I135 PolarHBondContact O-N 2.89Å; H117-W411 HydrophobicContact CB-CD2 3.79Å; H117-W411 HydrophobicContact CB-CE3 3.81Å; H117-W411 HydrophobicContact CB-CH2 3.65Å; H117-W411 HydrophobicContact CB-CZ2 3.62Å; H117-W411 HydrophobicContact CB-CZ3 3.74Å; H117-W411 AromaticContact CE1-NE1 3.77Å; H117-W411 AromaticContact CG-CE2 3.68Å; H117-W411 AromaticContact CG-CZ2 3.66Å; H117-W411 AromaticContact CG-NE1 3.95Å; H117-W411 AromaticContact ND1-CD1 3.64Å; H117-W411 AromaticContact ND1-CD2 3.97Å; H117-W411 AromaticContact ND1-CE2 3.32Å; H117-W411 VanDerWaalsContact ND1-CE2 3.32Å; H117-W411 AromaticContact ND1-CZ2 3.71Å; H117-W411 AromaticContact ND1-NE1 3.11Å; H117-W411 PolarHBondContact ND1-NE1 2.81Å; H117-W411 VanDerWaalsContact ND1-NE1 3.11Å
118T98.9Very high98.5Very high0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-73.9119.8174.4-50.50000109.8H80 V81 T82 W85 A132 H134 T409H80-T118 PolarHBondContact O-N 2.91Å; V81-T118 WeakPolarHBondContact CA-OG1 3.45Å; T82-T118 PolarHBondContact N-OG1 2.75Å; T82-T118 VanDerWaalsContact N-OG1 3.1Å; T82-T118 WeakPolarHBondContact O-CG2 3.44Å; T82-T118 PolarHBondContact O-OG1 3.4Å; W85-T118 HydrophobicContact CH2-CG2 3.75Å; W85-T118 HydrophobicContact CZ3-CG2 3.86Å; T118-A132 HydrophobicContact CG2-CB 4.27Å; T118-H134 WeakPolarHBondContact CA-ND1 3.47Å; T118-H134 WeakPolarHBondContact CB-ND1 3.31Å; T118-H134 PolarHBondContact OG1-CE1 2.87Å; T118-H134 PolarHBondContact OG1-ND1 3.16Å; T118-T409 HydrophobicContact CG2-CG2 3.98Å; T118-T409 WeakPolarHBondContact O-CG2 3.29Å; T118-T409 PolarHBondContact O-OG1 3.21Å
119L98.8Very high98.6Very high0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-85.2-52.2-178.2178.964.3000111.4W97 F100 H117 I133 I135 F342 V408 T409 W411W97-L119 HydrophobicContact CD2-CD1 4.25Å; W97-L119 HydrophobicContact CE3-CD2 4.39Å; W97-L119 HydrophobicContact CH2-CD1 4.31Å; W97-L119 HydrophobicContact CH2-CD2 4.46Å; W97-L119 HydrophobicContact CH2-CG 4.48Å; W97-L119 HydrophobicContact CZ2-CD1 3.87Å; W97-L119 HydrophobicContact CZ2-CG 4.5Å; W97-L119 HydrophobicContact CZ3-CD2 4.26Å; F100-L119 HydrophobicContact CE1-CD1 4.18Å; F100-L119 HydrophobicContact CZ-CD1 3.91Å; F100-L119 HydrophobicContact CZ-CD2 4.15Å; H117-L119 PolarHBondContact O-N 2.79Å; L119-I133 WeakPolarHBondContact CB-O 3.5Å; L119-I133 PolarHBondContact N-O 2.99Å; L119-I135 HydrophobicContact CB-CG1 4.33Å; L119-I135 HydrophobicContact CD2-CD1 4.3Å; L119-I135 HydrophobicContact CD2-CG1 4.39Å; L119-F342 HydrophobicContact CD2-CD2 4.07Å; L119-F342 HydrophobicContact CD2-CE2 3.34Å; L119-F342 HydrophobicContact CD2-CZ 3.91Å; L119-V408 WeakPolarHBondContact O-CG2 3.43Å; L119-T409 PolarHBondContact O-N 3.39Å; L119-T409 PolarHBondContact O-OG1 2.7Å; L119-W411 HydrophobicContact CB-CZ3 4.29Å; L119-W411 HydrophobicContact CD1-CE3 4.35Å; L119-W411 HydrophobicContact CD1-CZ3 3.89Å
120C98.9Very high98.6Very high0 Ų028.4 Ų28.40%017%0.165CC..EExtended strand (participates in β ladder)trans-156.8167.8179.959.80000110.1I133 A407C120-I133 PolarHBondContact N-O 3.2Å; C120-I133 PolarHBondContact O-N 3.25Å; C120-A407 CarbonylContact C-O 3.55Å; C120-A407 WeakPolarHBondContact CA-O 3.26Å; C120-A407 WeakPolarHBondContact CB-O 3.45Å
121G98.9Very high98.7Very high0 Ų027.9 Ų27.90%016%0.162CC..EExtended strand (participates in β ladder)trans-175.3-179.5174.300000111.3W85 L131 A407W85-G121 VanDerWaalsContact CH2-CA 3.49Å; W85-G121 VanDerWaalsContact CZ3-N 3.35Å; G121-L131 CarbonylContact C-O 3.56Å; G121-L131 VanDerWaalsContact CA-O 3.24Å; G121-L131 WeakPolarHBondContact CA-O 3.32Å; G121-A407 PolarHBondContact N-O 3.11Å; G121-A407 PolarHBondContact O-N 3.25Å
122A98.9Very high98.7Very high6 Ų627.2 Ų27.25%0.0516%0.159CC..EExtended strand (participates in β ladder)trans-157.3160.2178.900000111G130 L131 L404 S405A122-G130 VanDerWaalsContact O-CA 3.23Å; A122-G130 WeakPolarHBondContact O-CA 3.41Å; A122-L131 PolarHBondContact N-O 3.07Å; A122-L131 PolarHBondContact O-N 3.31Å; A122-L404 HydrophobicContact CB-CB 3.58Å; A122-L404 HydrophobicContact CB-CD1 3.91Å; A122-L404 HydrophobicContact CB-CG 4.42Å; A122-S405 WeakPolarHBondContact CB-O 3.41Å
123G98.6Very high98.7Very high31 Ų3127.1 Ų27.132%0.3216%0.158SC..EExtended strand (participates in β ladder)trans91.9-173.5-179.900000113.2W85 N129W85-G123 PolarHBondContact NE1-O 2.94Å; W85-G123 VanDerWaalsContact NE1-O 3.07Å; G123-N129 CarbonylContact C-O 3.55Å; G123-N129 WeakPolarHBondContact CA-O 3.13Å
124D98.8Very high98.7Very high70 Ų7027 Ų2737%0.37416%0.157SC..EExtended strand (participates in β ladder)trans-116.6109.2178.8174.124000109.6K126 S127 N128 N129D124-K126 PolarHBondContact O-N 2.78Å; D124-K126 WeakPolarHBondContact OD1-CB 3.2Å; D124-K126 PolarHBondContact OD1-N 3.01Å; D124-S127 CarbonylContact O-C 3.48Å; D124-S127 PolarHBondContact O-N 2.79Å; D124-S127 VanDerWaalsContact O-N 3.09Å; D124-S127 VanDerWaalsContact OD2-CB 3.25Å; D124-S127 WeakPolarHBondContact OD2-CB 3.4Å; D124-S127 PolarHBondContact OD2-N 2.92Å; D124-S127 PolarHBondContact OD2-OG 2.75Å; D124-N128 PolarHBondContact O-N 2.91Å; D124-N129 CarbonylContact C-O 3.58Å; D124-N129 PolarHBondContact N-O 2.96Å; D124-N129 PolarHBondContact O-N 3.26Å
125I98.6Very high98.7Very high8 Ų823.5 Ų23.54%0.04113%0.133CC..G310 helixtrans-62.2-30.2178.9-165.1168.5000112.2H83 S127 N128 D151 Y204H83-I125 HydrophobicContact CB-CG2 4.12Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 2.86Å; I125-N128 PolarHBondContact O-N 2.83Å; I125-D151 HydrophobicContact CD1-CB 3.94Å; I125-D151 WeakPolarHBondContact CD1-OD2 3.32Å; I125-D151 HydrophobicContact CG1-CB 4.14Å; I125-Y204 HydrophobicContact CB-CD2 4.28Å; I125-Y204 HydrophobicContact CB-CE2 4.07Å; I125-Y204 HydrophobicContact CD1-CD1 4.17Å; I125-Y204 HydrophobicContact CD1-CE1 3.57Å; I125-Y204 HydrophobicContact CD1-CE2 4.34Å; I125-Y204 HydrophobicContact CG1-CD1 4.02Å; I125-Y204 HydrophobicContact CG1-CD2 4.25Å; I125-Y204 HydrophobicContact CG1-CE1 3.86Å; I125-Y204 HydrophobicContact CG1-CE2 4.15Å; I125-Y204 HydrophobicContact CG1-CG 4.22Å
126K98.4Very high98.8Very high144 Ų14423.5 Ų23.563%0.62613%0.133SC*.G310 helixtrans-72.4-26177.8-65.6176.5-179.7173.10112D124 N128D124-K126 PolarHBondContact O-N 2.78Å; D124-K126 WeakPolarHBondContact OD1-CB 3.2Å; D124-K126 PolarHBondContact OD1-N 3.01Å; K126-N128 VanDerWaalsContact C-N 3.3Å
127S98.6Very high98.8Very high84 Ų8423.5 Ų23.559%0.58713%0.133SC*.G310 helixtrans-89.87.5169.7-61.30000113D124 I125 N129D124-S127 CarbonylContact O-C 3.48Å; D124-S127 PolarHBondContact O-N 2.79Å; D124-S127 VanDerWaalsContact O-N 3.09Å; D124-S127 VanDerWaalsContact OD2-CB 3.25Å; D124-S127 WeakPolarHBondContact OD2-CB 3.4Å; D124-S127 PolarHBondContact OD2-N 2.92Å; D124-S127 PolarHBondContact OD2-OG 2.75Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 2.86Å; S127-N129 PolarHBondContact O-N 2.78Å
128N98.4Very high98.8Very high64 Ų6422.4 Ų22.434%0.34213%0.128SC..THydrogen-bonded Turntrans56.435.1177.1-160.135.4000113D124 I125 K126 D151 R184 Y204 G205D124-N128 PolarHBondContact O-N 2.91Å; I125-N128 PolarHBondContact O-N 2.83Å; K126-N128 VanDerWaalsContact C-N 3.3Å; N128-D151 PolarHBondContact OD1-O 2.93Å; N128-R184 PolarHBondContact ND2-NH1 3.44Å; N128-R184 PolarHBondContact OD1-NH1 2.76Å; N128-Y204 CarbonylContact O-C 3.52Å; N128-G205 VanDerWaalsContact CG-CA 3.44Å; N128-G205 WeakPolarHBondContact ND2-CA 3.34Å; N128-G205 WeakPolarHBondContact OD1-CA 3.46Å; N128-G205 PolarHBondContact OD1-N 3.02Å; N128-G205 VanDerWaalsContact OD1-N 3.11Å
129N98.8Very high98.8Very high52 Ų5223.1 Ų23.128%0.27813%0.132SC..EExtended strand (participates in β ladder)trans-138.5120.5-176.1177.390.8000111.1G123 D124 S127G123-N129 CarbonylContact C-O 3.55Å; G123-N129 WeakPolarHBondContact CA-O 3.13Å; D124-N129 CarbonylContact C-O 3.58Å; D124-N129 PolarHBondContact N-O 2.96Å; D124-N129 PolarHBondContact O-N 3.26Å; S127-N129 PolarHBondContact O-N 2.78Å
130G98.8Very high98.8Very high1 Ų125.2 Ų25.21%0.0114%0.144CC..EExtended strand (participates in β ladder)trans139.3-162.4178.400000112.6A122 Y204A122-G130 VanDerWaalsContact O-CA 3.23Å; A122-G130 WeakPolarHBondContact O-CA 3.41Å; G130-Y204 WeakPolarHBondContact O-CD2 3.24Å; G130-Y204 PolarHBondContact O-N 2.82Å
131L98.9Very high98.8Very high0 Ų027 Ų270%016%0.157CC..EExtended strand (participates in β ladder)trans-149.9162.4177.569.7150.1000111G121 A122 L201 E202 V203 I312 A313 S402 L406G121-L131 CarbonylContact C-O 3.56Å; G121-L131 VanDerWaalsContact CA-O 3.24Å; G121-L131 WeakPolarHBondContact CA-O 3.32Å; A122-L131 PolarHBondContact N-O 3.07Å; A122-L131 PolarHBondContact O-N 3.31Å; L131-L201 HydrophobicContact CB-CD1 4.32Å; L131-L201 HydrophobicContact CD1-CD1 3.62Å; L131-E202 CarbonylContact C-O 3.51Å; L131-E202 WeakPolarHBondContact CA-O 3.31Å; L131-E202 VanDerWaalsContact CB-O 3.23Å; L131-E202 WeakPolarHBondContact CB-O 3.45Å; L131-V203 HydrophobicContact CB-CG1 4.29Å; L131-I312 HydrophobicContact CD2-CD1 4.4Å; L131-I312 HydrophobicContact CD2-CG1 4.13Å; L131-A313 HydrophobicContact CD1-CB 4.18Å; L131-S402 VanDerWaalsContact CD2-OG 3.25Å; L131-S402 WeakPolarHBondContact CD2-OG 3.49Å; L131-L406 HydrophobicContact CD1-CD2 3.94Å; L131-L406 HydrophobicContact CD2-CD2 4.43Å; L131-L406 HydrophobicContact CG-CD2 4.09Å
132A98.9Very high98.8Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-137.6148.3166.200000111W85 T118 H134 E202 Y204W85-A132 HydrophobicContact CH2-CB 3.77Å; W85-A132 HydrophobicContact CZ2-CB 4.08Å; T118-A132 HydrophobicContact CG2-CB 4.27Å; A132-H134 WeakPolarHBondContact CB-NE2 3.49Å; A132-E202 HydrophobicContact CB-CB 4.4Å; A132-E202 PolarHBondContact N-O 2.82Å; A132-E202 PolarHBondContact O-N 2.97Å; A132-Y204 WeakPolarHBondContact CB-OH 3.05Å
133I98.9Very high98.7Very high0 Ų034.6 Ų34.60%019%0.191CC..EExtended strand (participates in β ladder)trans-112.1124.6173.8-62.4172.6000107.4L119 C120 L200 L201 F342 F400 L406L119-I133 WeakPolarHBondContact CB-O 3.5Å; L119-I133 PolarHBondContact N-O 2.99Å; C120-I133 PolarHBondContact N-O 3.2Å; C120-I133 PolarHBondContact O-N 3.25Å; I133-L200 CarbonylContact C-O 3.58Å; I133-L200 WeakPolarHBondContact CA-O 3.37Å; I133-L201 HydrophobicContact CG1-CD1 4.08Å; I133-F342 HydrophobicContact CD1-CB 3.5Å; I133-F342 VanDerWaalsContact CD1-CB 3.5Å; I133-F342 HydrophobicContact CD1-CD1 3.88Å; I133-F342 HydrophobicContact CD1-CD2 4.5Å; I133-F342 HydrophobicContact CD1-CG 3.7Å; I133-F342 HydrophobicContact CG2-CD1 4.07Å; I133-F342 HydrophobicContact CG2-CE1 3.96Å; I133-F342 HydrophobicContact CG2-CG 4.41Å; I133-F342 HydrophobicContact CG2-CZ 4.23Å; I133-F400 HydrophobicContact CD1-CB 3.97Å; I133-F400 HydrophobicContact CD1-CD2 3.92Å; I133-F400 HydrophobicContact CD1-CG 4.45Å; I133-F400 HydrophobicContact CG1-CD2 3.99Å; I133-F400 HydrophobicContact CG2-CD2 4.13Å; I133-F400 HydrophobicContact CG2-CE2 4.34Å; I133-L406 HydrophobicContact CD1-CD1 3.81Å; I133-L406 HydrophobicContact CD1-CD2 4.36Å
134H98.9Very high98.7Very high4 Ų435.7 Ų35.72%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-118152.8178.8-43.9-92.8000110.8L116 H117 T118 A132 Y199 L200 E202L116-H134 HydrophobicContact CD2-CB 4.26Å; H117-H134 CarbonylContact O-C 3.47Å; H117-H134 VanDerWaalsContact O-CA 3.24Å; H117-H134 WeakPolarHBondContact O-CA 3.47Å; T118-H134 WeakPolarHBondContact CA-ND1 3.47Å; T118-H134 WeakPolarHBondContact CB-ND1 3.31Å; T118-H134 PolarHBondContact OG1-CE1 2.87Å; T118-H134 PolarHBondContact OG1-ND1 3.16Å; A132-H134 WeakPolarHBondContact CB-NE2 3.49Å; H134-Y199 CarbonylContact O-C 3.53Å; H134-L200 HydrophobicContact CB-CB 4.17Å; H134-L200 PolarHBondContact N-O 3.06Å; H134-L200 PolarHBondContact O-N 3.03Å; H134-E202 IonicContact CD2-OE2 2.73Å; H134-E202 IonicContact CE1-OE2 3.02Å; H134-E202 PolarHBondContact CE1-OE2 2.84Å; H134-E202 IonicContact NE2-OE2 2.68Å; H134-E202 PolarHBondContact NE2-OE2 2.82Å
135I98.9Very high98.7Very high0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-111127.2166.9-50.7-61000106.8F100 H117 L119 L137 R197 G198 Y199 W411F100-I135 HydrophobicContact CB-CG2 4.1Å; F100-I135 HydrophobicContact CD2-CB 4.38Å; F100-I135 HydrophobicContact CD2-CD1 4.02Å; F100-I135 HydrophobicContact CD2-CG1 3.84Å; F100-I135 HydrophobicContact CD2-CG2 3.76Å; F100-I135 HydrophobicContact CE1-CG1 4.49Å; F100-I135 HydrophobicContact CE2-CD1 3.66Å; F100-I135 HydrophobicContact CE2-CG1 3.64Å; F100-I135 HydrophobicContact CE2-CG2 4.43Å; F100-I135 HydrophobicContact CG-CG1 4.38Å; F100-I135 HydrophobicContact CG-CG2 4Å; F100-I135 HydrophobicContact CZ-CD1 4.34Å; F100-I135 HydrophobicContact CZ-CG1 3.99Å; H117-I135 PolarHBondContact N-O 2.81Å; H117-I135 PolarHBondContact O-N 2.89Å; L119-I135 HydrophobicContact CB-CG1 4.33Å; L119-I135 HydrophobicContact CD2-CD1 4.3Å; L119-I135 HydrophobicContact CD2-CG1 4.39Å; I135-L137 HydrophobicContact CG2-CD1 4.4Å; I135-L137 HydrophobicContact CG2-CD2 3.87Å; I135-L137 HydrophobicContact CG2-CG 3.97Å; I135-R197 HydrophobicContact CG2-CG 4.42Å; I135-G198 WeakPolarHBondContact CA-O 3.36Å; I135-Y199 HydrophobicContact CD1-CD1 3.55Å; I135-Y199 HydrophobicContact CD1-CE1 4.18Å; I135-Y199 HydrophobicContact CD1-CG 4.43Å; I135-W411 HydrophobicContact CB-CH2 4.21Å; I135-W411 HydrophobicContact CG1-CH2 4.24Å; I135-W411 HydrophobicContact CG1-CZ3 4.28Å
136F98.8Very high98.8Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-96.6133.317160.5-94000110.3F112 G115 L116 I156 L163 T196 R197 G198 Y199F112-F136 HydrophobicContact CD2-CB 4Å; F112-F136 HydrophobicContact CD2-CD2 4.08Å; F112-F136 HydrophobicContact CD2-CG 4.01Å; F112-F136 HydrophobicContact CE2-CB 3.77Å; F112-F136 AromaticContact CE2-CD1 3.75Å; F112-F136 HydrophobicContact CE2-CD1 3.75Å; F112-F136 AromaticContact CE2-CD2 3.98Å; F112-F136 HydrophobicContact CE2-CD2 3.98Å; F112-F136 HydrophobicContact CE2-CE1 4.25Å; F112-F136 HydrophobicContact CE2-CE2 4.46Å; F112-F136 AromaticContact CE2-CG 3.58Å; F112-F136 HydrophobicContact CE2-CG 3.58Å; F112-F136 HydrophobicContact CZ-CB 4.48Å; F112-F136 HydrophobicContact CZ-CD1 4.44Å; G115-F136 CarbonylContact O-C 3.59Å; G115-F136 VanDerWaalsContact O-CA 3.3Å; G115-F136 WeakPolarHBondContact O-CA 3.38Å; L116-F136 HydrophobicContact CD2-CB 4.17Å; F136-I156 HydrophobicContact CE1-CG2 3.74Å; F136-I156 HydrophobicContact CZ-CG2 4.11Å; F136-L163 HydrophobicContact CE2-CD1 4.33Å; F136-L163 HydrophobicContact CE2-CD2 4.26Å; F136-L163 HydrophobicContact CZ-CD1 4.04Å; F136-T196 HydrophobicContact CD2-CG2 4.26Å; F136-T196 HydrophobicContact CE2-CG2 3.82Å; F136-R197 VanDerWaalsContact O-CA 3.28Å; F136-R197 WeakPolarHBondContact O-CA 3.35Å; F136-G198 WeakPolarHBondContact CD1-O 3.4Å; F136-G198 VanDerWaalsContact CE1-CA 3.42Å; F136-G198 PolarHBondContact N-O 2.9Å; F136-G198 VanDerWaalsContact N-O 3.09Å; F136-G198 PolarHBondContact O-N 3.06Å; F136-Y199 WeakPolarHBondContact CE1-O 3.23Å
137L98.8Very high98.8Very high6 Ų627.5 Ų27.53%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-135.993.5-175.5-59.8170.7000109.3F100 E101 I102 V110 G115 I135 R197 W411F100-L137 HydrophobicContact CB-CD1 4.11Å; F100-L137 HydrophobicContact CB-CD2 3.86Å; E101-L137 WeakPolarHBondContact O-CD1 3.43Å; I102-L137 HydrophobicContact CG1-CD2 4.16Å; V110-L137 WeakPolarHBondContact CG1-O 3.36Å; G115-L137 WeakPolarHBondContact CA-O 3.45Å; G115-L137 PolarHBondContact O-N 2.85Å; I135-L137 HydrophobicContact CG2-CD1 4.4Å; I135-L137 HydrophobicContact CG2-CD2 3.87Å; I135-L137 HydrophobicContact CG2-CG 3.97Å; L137-R197 HydrophobicContact CD2-CB 4.09Å; L137-R197 HydrophobicContact CD2-CG 3.62Å; L137-W411 HydrophobicContact CD1-CZ2 4.13Å
138C98.8Very high98.8Very high0 Ų025 Ų250%013%0.127CC..EExtended strand (participates in β ladder)trans-135.8167-171.161.10000112.8I102 V110 D111 T196I102-C138 WeakPolarHBondContact CG2-O 3.39Å; V110-C138 CarbonylContact O-C 3.54Å; V110-C138 WeakPolarHBondContact O-CA 3.26Å; V110-C138 WeakPolarHBondContact O-CB 3.47Å; D111-C138 VanDerWaalsContact O-CB 3.3Å; D111-C138 WeakPolarHBondContact O-CB 3.49Å; C138-T196 PolarHBondContact N-O 3.15Å; C138-T196 PolarHBondContact O-N 3.34Å
139N98.6Very high98.8Very high16 Ų1622.2 Ų22.29%0.08611%0.112CC..  trans-149.3-0.8-174.564.137.4000114P103 A105 K108 V110 E195P103-N139 PolarHBondContact O-ND2 3.48Å; A105-N139 HydrophobicContact CB-CB 4.06Å; K108-N139 PolarHBondContact O-ND2 3.18Å; V110-N139 PolarHBondContact N-OD1 3.34Å; V110-N139 PolarHBondContact O-N 2.96Å; V110-N139 PolarHBondContact O-OD1 3.46Å; N139-E195 HydrophobicContact CB-CG 4.31Å
140T98.8Very high98.8Very high44 Ų4420.7 Ų20.727%0.2711%0.106SC..SBendtrans-138.7142.5-177.2-53.60000109.4K109 V110 D111 V192K109-T140 HydrophobicContact CD-CG2 4.39Å; K109-T140 WeakPolarHBondContact CD-OG1 3.46Å; V110-T140 PolarHBondContact O-N 3.15Å; D111-T140 WeakPolarHBondContact CA-O 3.41Å; D111-T140 WeakPolarHBondContact CB-O 3.29Å; T140-V192 WeakPolarHBondContact O-CG2 3.25Å
141S98.9Very high98.8Very high37 Ų3720.9 Ų20.926%0.25911%0.107SC..  trans-60.9152.2173-74.10000112.3E143 D191 V192S141-E143 PolarHBondContact O-N 3.12Å; S141-D191 WeakPolarHBondContact CB-OD1 3.41Å; S141-D191 VanDerWaalsContact OG-CA 3.31Å; S141-D191 WeakPolarHBondContact OG-CA 3.22Å; S141-D191 PolarHBondContact OG-OD1 2.97Å; S141-V192 PolarHBondContact OG-N 3.44Å
142M98.8Very high98.8Very high8 Ų821 Ų214%0.03911%0.107CC..  trans-70.9108.9169.3-66.4-179.567.200110.1D111 F112 V113 R145 F147 S189 I190D111-M142 HydrophobicContact CB-CG 3.94Å; D111-M142 WeakPolarHBondContact OD2-CG 3.35Å; F112-M142 HydrophobicContact CB-CG 4.33Å; F112-M142 HydrophobicContact CB-SD 4.04Å; V113-M142 HydrophobicContact CG2-CE 3.48Å; V113-M142 VanDerWaalsContact CG2-CE 3.48Å; V113-M142 HydrophobicContact CG2-SD 4.08Å; M142-R145 HydrophobicContact CB-CG 4.29Å; M142-R145 HydrophobicContact CE-CG 4.01Å; M142-F147 HydrophobicContact CE-CB 4.19Å; M142-S189 VanDerWaalsContact CB-OG 3.28Å; M142-S189 WeakPolarHBondContact CB-OG 3.14Å; M142-I190 PolarHBondContact N-O 2.88Å; M142-I190 HydrophobicContact SD-CB 4.14Å; M142-I190 HydrophobicContact SD-CG1 4.45Å; M142-I190 PolarHBondContact SD-N 2.94Å; M142-I190 VanDerWaalsContact SD-N 3.37Å
143E98.6Very high98.8Very high158 Ų15821 Ų2174%0.73811%0.107SC*.  trans-95.9125.4-178.2-168.3-173.6125.900111.6S141 R145S141-E143 PolarHBondContact O-N 3.12Å; E143-R145 PolarHBondContact O-N 2.96Å
144N98.6Very high98.8Very high54 Ų5421.1 Ų21.129%0.28911%0.108SC..SBendtrans49.129.8175.9-67.4-46.4000114.3R237 V239 Y243 T244N144-R237 PolarHBondContact OD1-NH1 3.23Å; N144-R237 PolarHBondContact OD1-NH2 3.28Å; N144-V239 HydrophobicContact CB-CG1 4.14Å; N144-Y243 HydrophobicContact CB-CD2 4.45Å; N144-Y243 WeakPolarHBondContact O-CA 3.43Å; N144-T244 PolarHBondContact O-N 3.37Å
145R98.8Very high98.8Very high50 Ų5021 Ų2119%0.18911%0.107CC..EExtended strand (participates in β ladder)trans-143.8148.9174.875.6-172-155.9158.45.6112.4D111 S114 M142 E143 S189 Y243 T244D111-R145 IonicContact OD1-CZ 2.78Å; D111-R145 IonicContact OD1-NE 3.11Å; D111-R145 IonicContact OD1-NH2 3.7Å; D111-R145 PolarHBondContact OD1-NH2 3.37Å; D111-R145 IonicContact OD2-CZ 3.93Å; D111-R145 IonicContact OD2-NE 3.56Å; D111-R145 PolarHBondContact OD2-NE 2.79Å; D111-R145 IonicContact OD2-NH2 3.84Å; D111-R145 PolarHBondContact OD2-NH2 3.32Å; S114-R145 PolarHBondContact OG-NH2 2.87Å; M142-R145 HydrophobicContact CB-CG 4.29Å; M142-R145 HydrophobicContact CE-CG 4.01Å; E143-R145 PolarHBondContact O-N 2.96Å; R145-S189 WeakPolarHBondContact O-CB 3.32Å; R145-S189 PolarHBondContact O-OG 2.71Å; R145-S189 VanDerWaalsContact O-OG 3.11Å; R145-Y243 VanDerWaalsContact C-CZ 3.42Å; R145-Y243 PolarHBondContact O-OH 3.02Å; R145-Y243 VanDerWaalsContact O-OH 3.1Å; R145-T244 CarbonylContact C-O 3.55Å; R145-T244 WeakPolarHBondContact CA-O 3.46Å; R145-T244 VanDerWaalsContact CB-O 3.31Å; R145-T244 WeakPolarHBondContact CB-O 3.2Å
146C98.9Very high98.8Very high0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans-122.5169.3171.472.60000109.4F188 Y243 T244 I246 P262 F263C146-F188 CarbonylContact C-O 3.56Å; C146-F188 WeakPolarHBondContact CA-O 3.21Å; C146-F188 VanDerWaalsContact CB-O 3.29Å; C146-F188 WeakPolarHBondContact CB-O 3.48Å; C146-Y243 HydrophobicContact CB-CE1 3.75Å; C146-Y243 WeakPolarHBondContact CB-OH 3.14Å; C146-Y243 VanDerWaalsContact N-CE1 3.28Å; C146-Y243 PolarHBondContact N-OH 3.47Å; C146-T244 PolarHBondContact N-O 3.47Å; C146-I246 PolarHBondContact O-N 3.06Å; C146-P262 HydrophobicContact CB-CG 4.03Å; C146-F263 HydrophobicContact CB-CZ 3.9Å
147F98.9Very high98.8Very high0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans-129.2143.9173.3-174.7-130.9000109.5V113 L116 M142 F154 R187 F188 I246 K248 L253V113-F147 HydrophobicContact CG1-CD2 4.39Å; V113-F147 HydrophobicContact CG2-CB 3.66Å; V113-F147 HydrophobicContact CG2-CD1 4.09Å; V113-F147 HydrophobicContact CG2-CD2 4.24Å; V113-F147 HydrophobicContact CG2-CG 3.78Å; L116-F147 HydrophobicContact CD1-CE1 4.29Å; M142-F147 HydrophobicContact CE-CB 4.19Å; F147-F154 HydrophobicContact CD1-CE2 4.2Å; F147-F154 AromaticContact CE1-CE2 3.54Å; F147-F154 HydrophobicContact CE1-CE2 3.54Å; F147-F154 AromaticContact CE1-CZ 3.9Å; F147-F154 HydrophobicContact CE1-CZ 3.9Å; F147-F154 HydrophobicContact CZ-CE2 4.45Å; F147-F154 HydrophobicContact CZ-CZ 4.49Å; F147-R187 CarbonylContact O-C 3.53Å; F147-R187 WeakPolarHBondContact O-CA 3.13Å; F147-F188 HydrophobicContact CB-CE1 4.34Å; F147-F188 HydrophobicContact CB-CZ 4.35Å; F147-F188 AromaticContact CD1-CE1 3.78Å; F147-F188 HydrophobicContact CD1-CE1 3.78Å; F147-F188 HydrophobicContact CD1-CE2 4.46Å; F147-F188 AromaticContact CD1-CZ 3.57Å; F147-F188 HydrophobicContact CD1-CZ 3.57Å; F147-F188 HydrophobicContact CE1-CZ 4.42Å; F147-F188 HydrophobicContact CG-CE1 4.44Å; F147-F188 HydrophobicContact CG-CZ 4.43Å; F147-F188 PolarHBondContact N-O 3.5Å; F147-F188 WeakPolarHBondContact O-CD1 3.4Å; F147-F188 PolarHBondContact O-N 2.8Å; F147-I246 CarbonylContact C-O 3.59Å; F147-I246 VanDerWaalsContact CA-O 3.29Å; F147-I246 WeakPolarHBondContact CA-O 3.14Å; F147-I246 HydrophobicContact CD2-CB 3.84Å; F147-I246 HydrophobicContact CD2-CG2 3.64Å; F147-I246 WeakPolarHBondContact CD2-O 3.3Å; F147-I246 HydrophobicContact CE2-CG2 3.91Å; F147-K248 HydrophobicContact CE2-CB 3.61Å; F147-K248 HydrophobicContact CZ-CB 3.46Å; F147-K248 VanDerWaalsContact CZ-CB 3.46Å; F147-K248 HydrophobicContact CZ-CD 4.23Å; F147-K248 HydrophobicContact CZ-CG 4.47Å; F147-L253 HydrophobicContact CE2-CD2 3.98Å; F147-L253 HydrophobicContact CZ-CD2 4.35Å
148Y98.9Very high98.8Very high32 Ų3220.7 Ų20.713%0.12511%0.106CC..EExtended strand (participates in β ladder)trans-135.6150.2160.175.9-80.7000109.7F73 S150 M186 R187 V245 I246 N247 K248F73-Y148 HydrophobicContact CE1-CE1 4.38Å; F73-Y148 AromaticContact CZ-CE1 3.88Å; F73-Y148 HydrophobicContact CZ-CE1 3.88Å; Y148-S150 WeakPolarHBondContact CE2-OG 3.49Å; Y148-M186 VanDerWaalsContact CB-O 3.31Å; Y148-M186 WeakPolarHBondContact CB-O 3.06Å; Y148-R187 HydrophobicContact CD1-CG 4.32Å; Y148-R187 HydrophobicContact CG-CG 4.43Å; Y148-V245 HydrophobicContact CD1-CG1 3.79Å; Y148-V245 HydrophobicContact CE1-CG1 3.7Å; Y148-I246 WeakPolarHBondContact CD1-O 3.28Å; Y148-I246 PolarHBondContact N-O 2.94Å; Y148-N247 HydrophobicContact CD1-CB 4.13Å; Y148-N247 HydrophobicContact CE1-CB 3.43Å; Y148-N247 VanDerWaalsContact CE1-CB 3.43Å; Y148-N247 HydrophobicContact CE2-CB 4.3Å; Y148-N247 VanDerWaalsContact CE2-OD1 3.26Å; Y148-N247 WeakPolarHBondContact CE2-OD1 3.47Å; Y148-N247 WeakPolarHBondContact O-CA 3.48Å; Y148-N247 VanDerWaalsContact OH-CG 3.22Å; Y148-N247 PolarHBondContact OH-ND2 3.32Å; Y148-K248 PolarHBondContact O-N 3.4Å
149N98.9Very high98.8Very high4 Ų421.7 Ų21.72%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-103.4114.9177.7-171.96.4000109.7D151 G152 F154 R184 G185 E202N149-D151 VanDerWaalsContact C-N 3.28Å; N149-D151 WeakPolarHBondContact OD1-CB 3.33Å; N149-D151 PolarHBondContact OD1-N 3.38Å; N149-G152 PolarHBondContact ND2-O 2.79Å; N149-F154 HydrophobicContact CB-CD2 4.28Å; N149-F154 HydrophobicContact CB-CE2 3.63Å; N149-F154 HydrophobicContact CB-CZ 3.89Å; N149-F154 WeakPolarHBondContact ND2-CE1 3.49Å; N149-F154 WeakPolarHBondContact ND2-CZ 3.29Å; N149-R184 WeakPolarHBondContact O-CG 3.47Å; N149-G185 PolarHBondContact O-N 3.04Å; N149-E202 PolarHBondContact ND2-OE1 2.84Å
150S98.9Very high98.8Very high21 Ų2124 Ų2415%0.14712%0.12CC..SBendtrans-81.9-4.4173.9-64.20000113.1Y148 R184 N247 K248Y148-S150 WeakPolarHBondContact CE2-OG 3.49Å; S150-R184 PolarHBondContact O-NE 3.1Å; S150-R184 PolarHBondContact O-NH2 2.96Å; S150-N247 WeakPolarHBondContact CB-OD1 3.49Å; S150-N247 VanDerWaalsContact OG-CG 3.32Å; S150-N247 PolarHBondContact OG-ND2 3.01Å; S150-N247 PolarHBondContact OG-OD1 2.98Å; S150-K248 WeakPolarHBondContact CA-O 3.39Å; S150-K248 VanDerWaalsContact CB-O 3.24Å; S150-K248 WeakPolarHBondContact CB-O 3.4Å; S150-K248 PolarHBondContact N-O 3.13Å
151D98.8Very high98.8Very high5 Ų522.1 Ų22.13%0.02711%0.109CC..SBendtrans-100-31.6-173.2-59.1-33.3000113.1I125 N128 N149 R184 Y204 G205 K248 Q250 G251I125-D151 HydrophobicContact CD1-CB 3.94Å; I125-D151 WeakPolarHBondContact CD1-OD2 3.32Å; I125-D151 HydrophobicContact CG1-CB 4.14Å; N128-D151 PolarHBondContact OD1-O 2.93Å; N149-D151 VanDerWaalsContact C-N 3.28Å; N149-D151 WeakPolarHBondContact OD1-CB 3.33Å; N149-D151 PolarHBondContact OD1-N 3.38Å; D151-R184 PolarHBondContact O-NH1 2.98Å; D151-Y204 HydrophobicContact CB-CD1 4.23Å; D151-Y204 HydrophobicContact CB-CE1 4.47Å; D151-G205 PolarHBondContact O-N 2.8Å; D151-K248 WeakPolarHBondContact OD2-CG 3.01Å; D151-K248 IonicContact OD2-NZ 2.96Å; D151-K248 PolarHBondContact OD2-NZ 3.46Å; D151-Q250 WeakPolarHBondContact OD1-CA 3.2Å; D151-Q250 PolarHBondContact OD1-N 3.4Å; D151-Q250 PolarHBondContact OD2-N 2.67Å; D151-G251 WeakPolarHBondContact OD2-CA 3.45Å; D151-G251 PolarHBondContact OD2-N 3.4Å
152G98.7Very high98.8Very high1 Ų122.6 Ų22.61%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-175.6-173.8-170.900000115.3N149 R184 V203N149-G152 PolarHBondContact ND2-O 2.79Å; G152-R184 WeakPolarHBondContact O-CA 3.45Å; G152-V203 WeakPolarHBondContact CA-O 3.49Å
153D98.9Very high98.8Very high1 Ų122.2 Ų22.21%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-92.7143.7177.3-75.112.7000110.3Q183 R184 E202 V203 H207 F208D153-Q183 VanDerWaalsContact OD1-CA 3.29Å; D153-Q183 WeakPolarHBondContact OD1-CA 3.45Å; D153-Q183 WeakPolarHBondContact OD2-CG 3.45Å; D153-R184 PolarHBondContact OD1-N 2.85Å; D153-E202 VanDerWaalsContact O-CA 3.32Å; D153-E202 WeakPolarHBondContact O-CA 3.17Å; D153-V203 HydrophobicContact CB-CG2 4.11Å; D153-V203 PolarHBondContact N-O 3.47Å; D153-V203 VanDerWaalsContact N-O 3.15Å; D153-V203 PolarHBondContact O-N 2.83Å; D153-V203 VanDerWaalsContact O-N 3.12Å; D153-H207 VanDerWaalsContact CG-ND1 3.32Å; D153-H207 IonicContact OD1-CE1 2.78Å; D153-H207 IonicContact OD1-ND1 3.69Å; D153-H207 PolarHBondContact OD1-ND1 2.81Å; D153-H207 WeakPolarHBondContact OD2-CA 3.39Å; D153-H207 IonicContact OD2-CE1 2.87Å; D153-H207 IonicContact OD2-CG 3.88Å; D153-H207 IonicContact OD2-ND1 2.78Å; D153-H207 PolarHBondContact OD2-ND1 2.81Å; D153-F208 HydrophobicContact CB-CD2 4.31Å; D153-F208 HydrophobicContact CB-CE2 4.25Å
154F98.9Very high98.8Very high3 Ų314.8 Ų14.81%0.0137%0.072CC..EExtended strand (participates in β ladder)trans-107.1126.5172.2-68-40000111.3F147 N149 I156 V181 I182 F188 L200 E202F147-F154 HydrophobicContact CD1-CE2 4.2Å; F147-F154 AromaticContact CE1-CE2 3.54Å; F147-F154 HydrophobicContact CE1-CE2 3.54Å; F147-F154 AromaticContact CE1-CZ 3.9Å; F147-F154 HydrophobicContact CE1-CZ 3.9Å; F147-F154 HydrophobicContact CZ-CE2 4.45Å; F147-F154 HydrophobicContact CZ-CZ 4.49Å; N149-F154 HydrophobicContact CB-CD2 4.28Å; N149-F154 HydrophobicContact CB-CE2 3.63Å; N149-F154 HydrophobicContact CB-CZ 3.89Å; N149-F154 WeakPolarHBondContact ND2-CE1 3.49Å; N149-F154 WeakPolarHBondContact ND2-CZ 3.29Å; F154-I156 HydrophobicContact CB-CG1 4.26Å; F154-V181 CarbonylContact O-C 3.57Å; F154-V181 WeakPolarHBondContact O-CA 3.2Å; F154-I182 PolarHBondContact N-O 2.97Å; F154-I182 PolarHBondContact O-N 2.66Å; F154-F188 HydrophobicContact CD2-CE1 4.32Å; F154-F188 HydrophobicContact CD2-CZ 4.22Å; F154-F188 HydrophobicContact CE2-CE1 4.47Å; F154-F188 HydrophobicContact CE2-CZ 4.36Å; F154-L200 HydrophobicContact CB-CD1 4.21Å; F154-L200 HydrophobicContact CB-CD2 3.97Å; F154-L200 HydrophobicContact CB-CG 4.22Å; F154-L200 HydrophobicContact CD1-CD1 4.01Å; F154-L200 HydrophobicContact CD1-CD2 3.11Å; F154-L200 HydrophobicContact CD1-CG 4.07Å; F154-L200 HydrophobicContact CD2-CD1 4.34Å; F154-L200 HydrophobicContact CE1-CD1 4.31Å; F154-L200 HydrophobicContact CE1-CD2 3.63Å; F154-L200 HydrophobicContact CG-CD1 3.97Å; F154-L200 HydrophobicContact CG-CD2 3.75Å; F154-L200 HydrophobicContact CG-CG 4.26Å; F154-E202 HydrophobicContact CD1-CB 3.7Å; F154-E202 HydrophobicContact CD1-CG 3.7Å; F154-E202 HydrophobicContact CE1-CB 3.74Å; F154-E202 VanDerWaalsContact CE1-CD 3.43Å; F154-E202 HydrophobicContact CE1-CG 3.53Å
155L98.9Very high98.9Very high0 Ų012.2 Ų12.20%06%0.059CC..EExtended strand (participates in β ladder)trans-100114.9161.2-176.3163.7000108.5V157 V181 L200 L201 F208 L301 F315 F400L155-V157 HydrophobicContact CD2-CG2 3.36Å; L155-V181 HydrophobicContact CB-CG2 4.17Å; L155-V181 HydrophobicContact CG-CG2 4.17Å; L155-L200 CarbonylContact O-C 3.52Å; L155-L200 VanDerWaalsContact O-CA 3.3Å; L155-L200 WeakPolarHBondContact O-CA 3.5Å; L155-L201 HydrophobicContact CB-CB 4.35Å; L155-L201 PolarHBondContact N-O 3.34Å; L155-L201 PolarHBondContact O-N 3.25Å; L155-F208 HydrophobicContact CB-CD2 4.25Å; L155-F208 HydrophobicContact CB-CE2 3.58Å; L155-F208 HydrophobicContact CB-CZ 3.73Å; L155-F208 HydrophobicContact CD1-CD1 4.3Å; L155-F208 HydrophobicContact CD1-CE1 4.08Å; L155-F208 HydrophobicContact CD1-CE2 4.4Å; L155-F208 HydrophobicContact CD1-CZ 4.13Å; L155-L301 HydrophobicContact CD1-CB 4.49Å; L155-L301 HydrophobicContact CD1-CD1 3.98Å; L155-F315 HydrophobicContact CD1-CB 3.79Å; L155-F315 HydrophobicContact CD1-CD1 3.88Å; L155-F315 HydrophobicContact CD1-CG 3.85Å; L155-F315 HydrophobicContact CD2-CD1 4.48Å; L155-F315 HydrophobicContact CD2-CD2 4.44Å; L155-F315 HydrophobicContact CD2-CG 4.37Å; L155-F400 HydrophobicContact CD2-CE1 4Å; L155-F400 HydrophobicContact CD2-CZ 4.26Å
156I98.9Very high98.9Very high0 Ų011.9 Ų11.90%06%0.058CC..EExtended strand (participates in β ladder)trans-105.4128.6-174.2-56.7170.2000109.4F112 F136 F154 L163 I179 C180 I182 L200F112-I156 HydrophobicContact CZ-CD1 4.36Å; F136-I156 HydrophobicContact CE1-CG2 3.74Å; F136-I156 HydrophobicContact CZ-CG2 4.11Å; F154-I156 HydrophobicContact CB-CG1 4.26Å; I156-L163 HydrophobicContact CG2-CD1 3.86Å; I156-I179 WeakPolarHBondContact O-CA 3.48Å; I156-C180 PolarHBondContact N-O 2.83Å; I156-C180 PolarHBondContact O-N 3.37Å; I156-I182 HydrophobicContact CD1-CD1 3.92Å; I156-I182 HydrophobicContact CD1-CG1 4.3Å; I156-L200 HydrophobicContact CG1-CD1 4.01Å; I156-L200 HydrophobicContact CG1-CG 4.16Å
157V98.9Very high98.9Very high0 Ų011.9 Ų11.90%06%0.058CC..EExtended strand (participates in β ladder)trans-122.492.2-178.3-168.30000109.8L155 I179 G198 Y199 F315 I346 F398 F400L155-V157 HydrophobicContact CD2-CG2 3.36Å; V157-I179 HydrophobicContact CG1-CG2 4.25Å; V157-I179 HydrophobicContact CG2-CG2 4.06Å; V157-G198 WeakPolarHBondContact O-CA 3.12Å; V157-Y199 HydrophobicContact CB-CD2 4.33Å; V157-Y199 HydrophobicContact CG1-CD2 4.41Å; V157-Y199 PolarHBondContact N-O 2.93Å; V157-Y199 PolarHBondContact O-N 3.16Å; V157-F315 HydrophobicContact CG2-CE2 4.23Å; V157-F315 HydrophobicContact CG2-CZ 4.43Å; V157-I346 HydrophobicContact CG1-CD1 3.52Å; V157-I346 HydrophobicContact CG1-CG1 3.88Å; V157-F398 HydrophobicContact CG1-CD1 4.27Å; V157-F398 HydrophobicContact CG1-CE1 4.01Å; V157-F398 HydrophobicContact CG1-CZ 4.4Å; V157-F400 HydrophobicContact CG2-CE1 4.19Å; V157-F400 HydrophobicContact CG2-CZ 3.79Å
158P98.9Very high98.9Very high1 Ų112.1 Ų12.11%0.0066%0.059CC..EExtended strand (participates in β ladder)trans-61.5136174.8-23.235.4000112.5L163 V174 P176 E178P158-L163 HydrophobicContact CG-CD1 3.82Å; P158-L163 HydrophobicContact CG-CG 4.1Å; P158-V174 HydrophobicContact CG-CB 4.39Å; P158-V174 HydrophobicContact CG-CG1 3.85Å; P158-P176 WeakPolarHBondContact O-CA 3.48Å; P158-E178 WeakPolarHBondContact CD-O 3.3Å
159Q98.8Very high98.9Very high21 Ų2110.6 Ų10.610%0.0985%0.053CC..EExtended strand (participates in β ladder)trans-112-47.7177.3-170.8-78.6-61.100111.2P176 R197 Y199 L345 I346Q159-P176 WeakPolarHBondContact O-CG 3.43Å; Q159-R197 WeakPolarHBondContact CA-O 3.25Å; Q159-R197 WeakPolarHBondContact CB-O 3.24Å; Q159-R197 PolarHBondContact N-O 2.54Å; Q159-Y199 HydrophobicContact CB-CD2 4.38Å; Q159-Y199 HydrophobicContact CB-CE2 3.8Å; Q159-Y199 HydrophobicContact CG-CE2 3.92Å; Q159-L345 WeakPolarHBondContact CG-O 3.39Å; Q159-I346 WeakPolarHBondContact CG-O 3.45Å; Q159-I346 PolarHBondContact NE2-O 2.73Å
160K98.8Very high98.9Very high64 Ų6410.4 Ų10.428%0.2785%0.052SC..EExtended strand (participates in β ladder)trans-132.7132.9177-176.7-173.3-178.1-59.40109.2I102 E194 E195 T196 R197I102-K160 HydrophobicContact CD1-CD 3.91Å; K160-E194 IonicContact NZ-OE2 3.17Å; K160-E194 PolarHBondContact NZ-OE2 3.34Å; K160-E195 PolarHBondContact NZ-O 3.37Å; K160-T196 VanDerWaalsContact O-CA 3.32Å; K160-T196 WeakPolarHBondContact O-CA 3.37Å; K160-R197 HydrophobicContact CB-CB 4.48Å; K160-R197 PolarHBondContact N-O 3.46Å; K160-R197 PolarHBondContact O-N 2.8Å
161G98.4Very high98.9Very high4 Ų411.6 Ų11.64%0.0415%0.054CC..SBendtrans83145.6-178.400000112.7
162N98.7Very high98.9Very high47 Ų4711.3 Ų11.325%0.2515%0.053SC..  trans-84.9147.2175.3-65.7-7.5000110.2L173 P176 F193N162-L173 HydrophobicContact CB-CD1 4.13Å; N162-P176 WeakPolarHBondContact OD1-CD 3.46Å; N162-F193 HydrophobicContact CB-CD2 4.08Å; N162-F193 HydrophobicContact CB-CE2 4.41Å; N162-F193 WeakPolarHBondContact O-CD2 3.29Å
163L98.9Very high98.9Very high0 Ų013.8 Ų13.80%07%0.065CC..EExtended strand (participates in β ladder)trans-109.2121.6173.7-51.9-174.6000109.3F136 I156 P158 I165 L173 V174 I190 V192 T196F136-L163 HydrophobicContact CE2-CD1 4.33Å; F136-L163 HydrophobicContact CE2-CD2 4.26Å; F136-L163 HydrophobicContact CZ-CD1 4.04Å; I156-L163 HydrophobicContact CG2-CD1 3.86Å; P158-L163 HydrophobicContact CG-CD1 3.82Å; P158-L163 HydrophobicContact CG-CG 4.1Å; L163-I165 HydrophobicContact CB-CD1 4.27Å; L163-I165 HydrophobicContact CB-CG1 3.95Å; L163-I165 HydrophobicContact CD1-CD1 4.48Å; L163-L173 CarbonylContact O-C 3.52Å; L163-L173 WeakPolarHBondContact O-CA 3.39Å; L163-V174 HydrophobicContact CB-CB 4.49Å; L163-V174 PolarHBondContact N-O 2.91Å; L163-V174 PolarHBondContact O-N 2.85Å; L163-I190 HydrophobicContact CB-CG2 4.1Å; L163-I190 HydrophobicContact CD2-CG2 4Å; L163-I190 HydrophobicContact CG-CG2 4.49Å; L163-V192 HydrophobicContact CD2-CG1 4Å; L163-T196 HydrophobicContact CD2-CG2 3.5Å; L163-T196 VanDerWaalsContact CD2-CG2 3.5Å
164L98.9Very high98.9Very high3 Ų313.8 Ų13.82%0.0167%0.065CC..EExtended strand (participates in β ladder)trans-98.2107.2164.2170.764.1000108.3M1 L4 Y166 K171 L173 D191 F193M1-L164 HydrophobicContact CE-CD2 4.05Å; M1-L164 HydrophobicContact SD-CD2 3.77Å; L4-L164 HydrophobicContact CD1-CD1 4.06Å; L164-Y166 HydrophobicContact CD2-CE2 3.97Å; L164-Y166 WeakPolarHBondContact CD2-OH 3.43Å; L164-Y166 HydrophobicContact CG-CE2 3.81Å; L164-K171 HydrophobicContact CD1-CB 4.33Å; L164-L173 HydrophobicContact CB-CD1 4.4Å; L164-D191 HydrophobicContact CB-CB 3.9Å; L164-D191 HydrophobicContact CD2-CB 4.32Å; L164-D191 HydrophobicContact CG-CB 4.33Å; L164-D191 PolarHBondContact N-O 2.88Å; L164-D191 PolarHBondContact O-N 3.14Å; L164-F193 HydrophobicContact CB-CE2 3.86Å; L164-F193 HydrophobicContact CB-CZ 3.68Å; L164-F193 HydrophobicContact CD2-CZ 4.18Å
165I98.9Very high98.9Very high0 Ų017.6 Ų17.60%08%0.083CC..EExtended strand (participates in β ladder)trans-101.6118.5-172.6-49-177000108.7L163 T167 K171 M172 V174 C180 I182 F188 S189 I190L163-I165 HydrophobicContact CB-CD1 4.27Å; L163-I165 HydrophobicContact CB-CG1 3.95Å; L163-I165 HydrophobicContact CD1-CD1 4.48Å; I165-T167 HydrophobicContact CG2-CG2 3.87Å; I165-K171 CarbonylContact O-C 3.54Å; I165-K171 VanDerWaalsContact O-CA 3.32Å; I165-K171 WeakPolarHBondContact O-CA 3.41Å; I165-M172 PolarHBondContact N-O 2.79Å; I165-M172 PolarHBondContact O-N 3.41Å; I165-V174 HydrophobicContact CD1-CG2 3.87Å; I165-V174 HydrophobicContact CG1-CG2 4.42Å; I165-C180 WeakPolarHBondContact CD1-SG 3.26Å; I165-I182 HydrophobicContact CG2-CD1 3.85Å; I165-F188 HydrophobicContact CG2-CB 4.2Å; I165-F188 HydrophobicContact CG2-CD2 4.29Å; I165-S189 CarbonylContact C-O 3.59Å; I165-S189 WeakPolarHBondContact CA-O 3.36Å; I165-I190 HydrophobicContact CD1-CD1 4.31Å; I165-I190 HydrophobicContact CG1-CD1 4.22Å; I165-I190 HydrophobicContact CG1-CG1 4.13Å; I165-I190 HydrophobicContact CG2-CG1 4.22Å
166Y98.9Very high98.9Very high43 Ų4319.8 Ų19.817%0.16910%0.097CC..EExtended strand (participates in β ladder)trans-90.5129.2169-57.7-104000107.4L164 K171 F188 S189 D191 W233L164-Y166 HydrophobicContact CD2-CE2 3.97Å; L164-Y166 WeakPolarHBondContact CD2-OH 3.43Å; L164-Y166 HydrophobicContact CG-CE2 3.81Å; Y166-K171 HydrophobicContact CD1-CD 3.96Å; Y166-K171 HydrophobicContact CD1-CG 3.91Å; Y166-K171 HydrophobicContact CE1-CD 3.79Å; Y166-K171 VanDerWaalsContact CE1-CE 3.42Å; Y166-K171 HydrophobicContact CE1-CG 4.24Å; Y166-F188 CarbonylContact O-C 3.58Å; Y166-F188 WeakPolarHBondContact O-CA 3.41Å; Y166-F188 VanDerWaalsContact O-CB 3.29Å; Y166-F188 WeakPolarHBondContact O-CB 3.38Å; Y166-S189 PolarHBondContact N-O 3.14Å; Y166-S189 PolarHBondContact O-N 3.11Å; Y166-D191 HydrophobicContact CE2-CB 4.03Å; Y166-D191 WeakPolarHBondContact CE2-OD2 3.36Å; Y166-D191 PolarHBondContact OH-OD2 2.92Å; Y166-W233 HydrophobicContact CD1-CH2 4.16Å; Y166-W233 AromaticContact CD1-CZ3 3.9Å; Y166-W233 HydrophobicContact CD1-CZ3 3.9Å; Y166-W233 HydrophobicContact CE1-CH2 4.35Å
167T98.9Very high98.9Very high0 Ų022.1 Ų22.10%011%0.11CC..EExtended strand (participates in β ladder)trans-128.7167.6174.971.40000108.9I165 F169 G170 M172 R187 F188 P274I165-T167 HydrophobicContact CG2-CG2 3.87Å; T167-F169 PolarHBondContact O-N 3.15Å; T167-F169 VanDerWaalsContact O-N 3.11Å; T167-F169 PolarHBondContact OG1-N 2.81Å; T167-F169 VanDerWaalsContact OG1-N 3.14Å; T167-G170 PolarHBondContact N-O 2.68Å; T167-G170 PolarHBondContact O-N 2.86Å; T167-G170 VanDerWaalsContact O-N 3.15Å; T167-G170 PolarHBondContact OG1-N 2.77Å; T167-G170 PolarHBondContact OG1-O 3.28Å; T167-M172 HydrophobicContact CG2-CE 4.5Å; T167-R187 WeakPolarHBondContact CA-O 3.44Å; T167-F188 HydrophobicContact CG2-CB 4.11Å; T167-P274 HydrophobicContact CG2-CB 4.17Å; T167-P274 HydrophobicContact CG2-CG 3.96Å
168E98.9Very high98.9Very high5 Ų522.8 Ų22.82%0.02311%0.113CC..THydrogen-bonded Turntrans-58.9-17.8169.9-68.1173.6103.800113.3R63 R187 V265R63-E168 IonicContact CZ-OE1 2.8Å; R63-E168 IonicContact NH1-OE1 2.83Å; R63-E168 PolarHBondContact NH1-OE1 3.21Å; R63-E168 IonicContact NH2-OE1 2.71Å; E168-R187 HydrophobicContact CG-CB 3.99Å; E168-R187 PolarHBondContact N-O 3.41Å; E168-R187 WeakPolarHBondContact OE2-CB 3.28Å; E168-R187 PolarHBondContact OE2-N 2.88Å; E168-V265 HydrophobicContact CB-CG2 4.06Å; E168-V265 WeakPolarHBondContact O-CB 3.47Å; E168-V265 WeakPolarHBondContact O-CG2 3.45Å
169F98.9Very high98.9Very high0 Ų022.8 Ų22.80%011%0.113CC..THydrogen-bonded Turntrans-97.4-8.1-178.7-64.4-99.3000113.1L44 L61 T167 M186 P230 I231 A232 W268 Y272 T273 P274L44-F169 HydrophobicContact CD2-CE2 4.25Å; L44-F169 HydrophobicContact CD2-CZ 4.2Å; L61-F169 HydrophobicContact CD2-CE1 3.86Å; L61-F169 HydrophobicContact CD2-CE2 4.44Å; L61-F169 HydrophobicContact CD2-CZ 3.81Å; T167-F169 PolarHBondContact O-N 3.15Å; T167-F169 VanDerWaalsContact O-N 3.11Å; T167-F169 PolarHBondContact OG1-N 2.81Å; T167-F169 VanDerWaalsContact OG1-N 3.14Å; F169-M186 HydrophobicContact CD2-SD 4.37Å; F169-M186 HydrophobicContact CE2-CE 3.92Å; F169-M186 HydrophobicContact CE2-CG 4.06Å; F169-M186 HydrophobicContact CE2-SD 3.94Å; F169-M186 HydrophobicContact CZ-CE 4.13Å; F169-P230 HydrophobicContact CB-CG 4.04Å; F169-I231 CarbonylContact O-C 3.51Å; F169-I231 VanDerWaalsContact O-C 3.29Å; F169-I231 VanDerWaalsContact O-O 3.12Å; F169-A232 WeakPolarHBondContact O-CA 2.98Å; F169-A232 PolarHBondContact O-N 2.79Å; F169-W268 HydrophobicContact CB-CZ2 4.49Å; F169-W268 AromaticContact CD1-CD2 3.54Å; F169-W268 HydrophobicContact CD1-CD2 3.54Å; F169-W268 AromaticContact CD1-CE2 3.73Å; F169-W268 AromaticContact CD1-CE3 3.82Å; F169-W268 HydrophobicContact CD1-CE3 3.82Å; F169-W268 AromaticContact CD1-CG 3.83Å; F169-W268 HydrophobicContact CD1-CG 3.83Å; F169-W268 HydrophobicContact CD1-CH2 4.49Å; F169-W268 HydrophobicContact CD1-CZ2 4.23Å; F169-W268 HydrophobicContact CD1-CZ3 4.28Å; F169-W268 HydrophobicContact CE1-CD2 4.14Å; F169-W268 HydrophobicContact CE1-CE3 4.08Å; F169-W268 HydrophobicContact CE1-CG 4.35Å; F169-W268 PolarHBondContact O-NE1 2.94Å; F169-Y272 WeakPolarHBondContact CE1-O 3.49Å; F169-Y272 WeakPolarHBondContact CZ-O 3.37Å; F169-T273 HydrophobicContact CD1-CG2 4Å; F169-T273 HydrophobicContact CE1-CG2 4.04Å; F169-P274 HydrophobicContact CB-CG 3.9Å; F169-P274 HydrophobicContact CD2-CG 4.05Å; F169-P274 VanDerWaalsContact CG-CD 3.43Å; F169-P274 HydrophobicContact CG-CG 4.15Å
170G98.9Very high98.9Very high0 Ų021.8 Ų21.80%011%0.108CC..EExtended strand (participates in β ladder)trans127.8-162.1-175.500000113.4T167 I231T167-G170 PolarHBondContact N-O 2.68Å; T167-G170 PolarHBondContact O-N 2.86Å; T167-G170 VanDerWaalsContact O-N 3.15Å; T167-G170 PolarHBondContact OG1-N 2.77Å; T167-G170 PolarHBondContact OG1-O 3.28Å; G170-I231 WeakPolarHBondContact CA-O 3.41Å
171K98.9Very high98.9Very high45 Ų4518.8 Ų18.820%0.19610%0.095CC..EExtended strand (participates in β ladder)trans-107.7139.3-171.5-59.2179.5-168.2179.60112.6L4 L164 I165 Y166 P230 W233L4-K171 HydrophobicContact CD1-CB 3.96Å; L4-K171 HydrophobicContact CD2-CB 4.15Å; L164-K171 HydrophobicContact CD1-CB 4.33Å; I165-K171 CarbonylContact O-C 3.54Å; I165-K171 VanDerWaalsContact O-CA 3.32Å; I165-K171 WeakPolarHBondContact O-CA 3.41Å; Y166-K171 HydrophobicContact CD1-CD 3.96Å; Y166-K171 HydrophobicContact CD1-CG 3.91Å; Y166-K171 HydrophobicContact CE1-CD 3.79Å; Y166-K171 VanDerWaalsContact CE1-CE 3.42Å; Y166-K171 HydrophobicContact CE1-CG 4.24Å; K171-P230 WeakPolarHBondContact O-CB 3.23Å; K171-W233 HydrophobicContact CD-CD2 4.33Å; K171-W233 VanDerWaalsContact CE-CE3 3.42Å; K171-W233 VanDerWaalsContact CE-CZ2 3.42Å; K171-W233 HydrophobicContact CG-CD2 4.4Å; K171-W233 HydrophobicContact CG-CE3 4.29Å
172M98.9Very high98.9Very high0 Ų018.7 Ų18.70%09%0.094CC..EExtended strand (participates in β ladder)trans-126.4128170.4-58.5-170.9-65.300110.5Y6 I165 T167 V174 C180 P230 P274 K276Y6-M172 HydrophobicContact CE1-CB 4.3Å; Y6-M172 HydrophobicContact CE1-CG 4.09Å; I165-M172 PolarHBondContact N-O 2.79Å; I165-M172 PolarHBondContact O-N 3.41Å; T167-M172 HydrophobicContact CG2-CE 4.5Å; M172-V174 HydrophobicContact CB-CG2 4.26Å; M172-C180 HydrophobicContact CE-CB 4.19Å; M172-P230 HydrophobicContact CG-CB 3.85Å; M172-P230 HydrophobicContact CG-CG 3.89Å; M172-P230 HydrophobicContact SD-CG 4.31Å; M172-P274 HydrophobicContact CE-CB 3.74Å; M172-P274 HydrophobicContact CE-CG 4.45Å; M172-P274 HydrophobicContact SD-CB 4.44Å; M172-K276 HydrophobicContact CB-CD 4.5Å; M172-K276 HydrophobicContact SD-CB 4.15Å; M172-K276 HydrophobicContact SD-CG 4.3Å
173L98.9Very high98.9Very high53 Ų5317.1 Ų17.128%0.2779%0.085SC..EExtended strand (participates in β ladder)trans-92.2123.8165.9177.566000108.1L4 Y6 N162 L163 L164 Q175 F193 K276L4-L173 HydrophobicContact CD1-CB 4.04Å; Y6-L173 PolarHBondContact OH-N 3.32Å; Y6-L173 VanDerWaalsContact OH-N 3.11Å; N162-L173 HydrophobicContact CB-CD1 4.13Å; L163-L173 CarbonylContact O-C 3.52Å; L163-L173 WeakPolarHBondContact O-CA 3.39Å; L164-L173 HydrophobicContact CB-CD1 4.4Å; L173-Q175 HydrophobicContact CG-CG 4.46Å; L173-F193 HydrophobicContact CD1-CE2 4.44Å; L173-K276 VanDerWaalsContact O-CE 3.31Å; L173-K276 WeakPolarHBondContact O-CE 3.24Å; L173-K276 PolarHBondContact O-NZ 2.83Å
174V98.9Very high98.9Very high0 Ų020.9 Ų20.90%010%0.099CC..EExtended strand (participates in β ladder)trans-123.9120.2-177.7-166.10000108.9P158 L163 I165 M172 E178 C180 K276P158-V174 HydrophobicContact CG-CB 4.39Å; P158-V174 HydrophobicContact CG-CG1 3.85Å; L163-V174 HydrophobicContact CB-CB 4.49Å; L163-V174 PolarHBondContact N-O 2.91Å; L163-V174 PolarHBondContact O-N 2.85Å; I165-V174 HydrophobicContact CD1-CG2 3.87Å; I165-V174 HydrophobicContact CG1-CG2 4.42Å; M172-V174 HydrophobicContact CB-CG2 4.26Å; V174-E178 HydrophobicContact CG1-CB 3.9Å; V174-C180 HydrophobicContact CG1-CB 4.2Å; V174-C180 HydrophobicContact CG2-CB 3.78Å; V174-K276 HydrophobicContact CG2-CB 4.38Å
175Q98.8Very high98.9Very high84 Ų8421.8 Ų21.839%0.39311%0.109SC..  trans-104.6163-177.1-57-179.590.600110.5L173 N177 E178L173-Q175 HydrophobicContact CG-CG 4.46Å; Q175-N177 PolarHBondContact O-N 2.97Å; Q175-E178 PolarHBondContact N-OE2 2.52Å; Q175-E178 WeakPolarHBondContact O-CA 3.49Å; Q175-E178 VanDerWaalsContact O-CB 3.32Å; Q175-E178 WeakPolarHBondContact O-CB 3.35Å; Q175-E178 PolarHBondContact O-N 3.37Å
176P98.8Very high98.9Very high45 Ų4521.8 Ų21.829%0.29211%0.109SC..THydrogen-bonded Turntrans-52.3139.3165.8-2635.4000111.2P158 Q159 N162 E178 I346P158-P176 WeakPolarHBondContact O-CA 3.48Å; Q159-P176 WeakPolarHBondContact O-CG 3.43Å; N162-P176 WeakPolarHBondContact OD1-CD 3.46Å; P176-E178 VanDerWaalsContact C-N 3.27Å; P176-I346 HydrophobicContact CB-CG2 4.18Å
177N98.8Very high98.9Very high49 Ų4920.6 Ų20.626%0.26210%0.104SC..THydrogen-bonded Turntrans76.66-169.4-151.637000115.1Q175 N278 L279 M396Q175-N177 PolarHBondContact O-N 2.97Å; N177-N278 PolarHBondContact O-OD1 2.81Å; N177-L279 WeakPolarHBondContact O-CB 3.41Å; N177-L279 WeakPolarHBondContact O-CG 3.46Å; N177-L279 PolarHBondContact O-N 3.26Å; N177-M396 VanDerWaalsContact OD1-CE 3.26Å; N177-M396 WeakPolarHBondContact OD1-CE 3.2Å; N177-M396 WeakPolarHBondContact OD1-CG 3.4Å
178E98.9Very high98.9Very high15 Ų1520.6 Ų20.67%0.0710%0.104CC..EExtended strand (participates in β ladder)trans-113.5155.3161.8-51.8-175.2118.400108.6P158 V174 Q175 P176 K276 Y277 N278P158-E178 WeakPolarHBondContact CD-O 3.3Å; V174-E178 HydrophobicContact CG1-CB 3.9Å; Q175-E178 PolarHBondContact N-OE2 2.52Å; Q175-E178 WeakPolarHBondContact O-CA 3.49Å; Q175-E178 VanDerWaalsContact O-CB 3.32Å; Q175-E178 WeakPolarHBondContact O-CB 3.35Å; Q175-E178 PolarHBondContact O-N 3.37Å; P176-E178 VanDerWaalsContact C-N 3.27Å; E178-K276 WeakPolarHBondContact OE1-CE 3.09Å; E178-K276 IonicContact OE1-NZ 3.5Å; E178-K276 PolarHBondContact OE1-NZ 2.86Å; E178-K276 WeakPolarHBondContact OE2-CE 3.48Å; E178-K276 IonicContact OE2-NZ 2.81Å; E178-K276 PolarHBondContact OE2-NZ 3.33Å; E178-Y277 CarbonylContact C-O 3.46Å; E178-Y277 VanDerWaalsContact CA-O 3.24Å; E178-Y277 WeakPolarHBondContact CA-O 3.3Å; E178-N278 HydrophobicContact CG-CB 4.11Å; E178-N278 PolarHBondContact OE1-ND2 3.4Å; E178-N278 VanDerWaalsContact OE1-ND2 3.16Å
179I98.9Very high98.9Very high1 Ų120.8 Ų20.81%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-117.4161.2169.460.5157.4000109I156 V157 K276 Y277 L279 V300 L301 F315I156-I179 WeakPolarHBondContact O-CA 3.48Å; V157-I179 HydrophobicContact CG1-CG2 4.25Å; V157-I179 HydrophobicContact CG2-CG2 4.06Å; I179-K276 CarbonylContact O-C 3.57Å; I179-K276 WeakPolarHBondContact O-CA 3.48Å; I179-K276 WeakPolarHBondContact O-CB 3.47Å; I179-Y277 HydrophobicContact CD1-CD1 4.47Å; I179-Y277 HydrophobicContact CG1-CD1 4.26Å; I179-Y277 PolarHBondContact N-O 2.67Å; I179-Y277 PolarHBondContact O-N 3.29Å; I179-L279 HydrophobicContact CG1-CD2 4.33Å; I179-L279 HydrophobicContact CG2-CD1 4.21Å; I179-L279 HydrophobicContact CG2-CD2 4.01Å; I179-L279 HydrophobicContact CG2-CG 4.26Å; I179-V300 HydrophobicContact CD1-CG1 4.36Å; I179-L301 HydrophobicContact CD1-CD1 3.98Å; I179-F315 HydrophobicContact CD1-CD1 4.17Å; I179-F315 HydrophobicContact CD1-CE1 3.81Å; I179-F315 HydrophobicContact CG2-CE1 3.88Å; I179-F315 HydrophobicContact CG2-CZ 3.79Å
180C98.9Very high98.9Very high0 Ų020.8 Ų20.80%011%0.106CC..EExtended strand (participates in β ladder)trans-140.5156.8163.769.50000111.7I156 I165 M172 V174 Y275 K276I156-C180 PolarHBondContact N-O 2.83Å; I156-C180 PolarHBondContact O-N 3.37Å; I165-C180 WeakPolarHBondContact CD1-SG 3.26Å; M172-C180 HydrophobicContact CE-CB 4.19Å; V174-C180 HydrophobicContact CG1-CB 4.2Å; V174-C180 HydrophobicContact CG2-CB 3.78Å; C180-Y275 CarbonylContact C-O 3.49Å; C180-Y275 WeakPolarHBondContact CA-O 3.32Å; C180-Y275 VanDerWaalsContact CB-O 3.26Å; C180-Y275 WeakPolarHBondContact CB-O 3.39Å; C180-K276 HydrophobicContact CB-CB 3.95Å
181V99Very high98.9Very high0 Ų022.5 Ų22.50%012%0.115CC..EExtended strand (participates in β ladder)trans-120.7131.3174.7176.70000109.2F154 L155 Q183 F208 P274 Y275 L301F154-V181 CarbonylContact O-C 3.57Å; F154-V181 WeakPolarHBondContact O-CA 3.2Å; L155-V181 HydrophobicContact CB-CG2 4.17Å; L155-V181 HydrophobicContact CG-CG2 4.17Å; V181-Q183 HydrophobicContact CG1-CG 4Å; V181-F208 HydrophobicContact CG1-CD2 4.19Å; V181-F208 HydrophobicContact CG2-CD2 4.35Å; V181-P274 WeakPolarHBondContact O-CA 3.33Å; V181-Y275 HydrophobicContact CB-CD1 4.31Å; V181-Y275 HydrophobicContact CB-CD2 4.04Å; V181-Y275 HydrophobicContact CB-CE1 3.8Å; V181-Y275 HydrophobicContact CB-CE2 3.5Å; V181-Y275 VanDerWaalsContact CB-CE2 3.5Å; V181-Y275 HydrophobicContact CB-CG 4.43Å; V181-Y275 HydrophobicContact CG1-CE1 3.95Å; V181-Y275 HydrophobicContact CG1-CE2 4.37Å; V181-Y275 HydrophobicContact CG2-CD2 4.23Å; V181-Y275 HydrophobicContact CG2-CE1 4.45Å; V181-Y275 HydrophobicContact CG2-CE2 3.4Å; V181-Y275 WeakPolarHBondContact CG2-OH 3.31Å; V181-Y275 PolarHBondContact N-O 2.83Å; V181-Y275 PolarHBondContact O-N 2.94Å; V181-Y275 VanDerWaalsContact O-N 3.14Å; V181-L301 HydrophobicContact CG2-CD1 4.1Å
182I98.9Very high98.9Very high3 Ų321 Ų212%0.01511%0.109CC..EExtended strand (participates in β ladder)trans-118.4114.8169.7-53.6178.8000106.5F154 I156 I165 M186 F188F154-I182 PolarHBondContact N-O 2.97Å; F154-I182 PolarHBondContact O-N 2.66Å; I156-I182 HydrophobicContact CD1-CD1 3.92Å; I156-I182 HydrophobicContact CD1-CG1 4.3Å; I165-I182 HydrophobicContact CG2-CD1 3.85Å; I182-M186 HydrophobicContact CG2-CB 3.94Å; I182-F188 HydrophobicContact CB-CD1 4.48Å; I182-F188 HydrophobicContact CD1-CB 3.93Å; I182-F188 HydrophobicContact CD1-CD1 3.76Å; I182-F188 HydrophobicContact CD1-CD2 3.49Å; I182-F188 VanDerWaalsContact CD1-CD2 3.49Å; I182-F188 HydrophobicContact CD1-CE1 4.02Å; I182-F188 HydrophobicContact CD1-CE2 3.79Å; I182-F188 HydrophobicContact CD1-CG 3.45Å; I182-F188 VanDerWaalsContact CD1-CG 3.45Å; I182-F188 HydrophobicContact CD1-CZ 4.01Å; I182-F188 HydrophobicContact CG2-CD1 3.66Å; I182-F188 HydrophobicContact CG2-CE1 4.05Å; I182-F188 HydrophobicContact CG2-CG 4.27Å
183Q98.9Very high98.9Very high13 Ų1326.1 Ų26.16%0.06113%0.132CC..  trans-82.7160.3-173.7-55.2-177.484.500110.9D153 V181 G185 M186 Y272 T273D153-Q183 VanDerWaalsContact OD1-CA 3.29Å; D153-Q183 WeakPolarHBondContact OD1-CA 3.45Å; D153-Q183 WeakPolarHBondContact OD2-CG 3.45Å; V181-Q183 HydrophobicContact CG1-CG 4Å; Q183-G185 PolarHBondContact O-N 3.15Å; Q183-M186 HydrophobicContact CB-CE 3.94Å; Q183-M186 HydrophobicContact CB-SD 4.14Å; Q183-M186 HydrophobicContact CG-CE 4.46Å; Q183-M186 WeakPolarHBondContact O-CB 3.29Å; Q183-M186 WeakPolarHBondContact O-CG 3.46Å; Q183-M186 PolarHBondContact O-N 3.12Å; Q183-Y272 HydrophobicContact CB-CD2 4.26Å; Q183-Y272 HydrophobicContact CB-CE1 4.43Å; Q183-Y272 HydrophobicContact CB-CE2 3.37Å; Q183-Y272 VanDerWaalsContact CB-CZ 3.47Å; Q183-Y272 VanDerWaalsContact CB-OH 3.31Å; Q183-Y272 WeakPolarHBondContact CB-OH 3.31Å; Q183-Y272 VanDerWaalsContact CD-CD2 3.49Å; Q183-Y272 HydrophobicContact CG-CD2 4.49Å; Q183-Y272 HydrophobicContact CG-CE2 3.94Å; Q183-T273 PolarHBondContact NE2-O 2.79Å
184R98.9Very high98.8Very high80 Ų8027.9 Ų27.930%0.30214%0.139SC..THydrogen-bonded Turntrans-47.1134.2-176.9-170.5-178.9-176.8154.38.4112.5N128 N149 S150 D151 G152 D153 M186 Y272N128-R184 PolarHBondContact ND2-NH1 3.44Å; N128-R184 PolarHBondContact OD1-NH1 2.76Å; N149-R184 WeakPolarHBondContact O-CG 3.47Å; S150-R184 PolarHBondContact O-NE 3.1Å; S150-R184 PolarHBondContact O-NH2 2.96Å; D151-R184 PolarHBondContact O-NH1 2.98Å; G152-R184 WeakPolarHBondContact O-CA 3.45Å; D153-R184 PolarHBondContact OD1-N 2.85Å; R184-M186 VanDerWaalsContact C-N 3.26Å; R184-M186 PolarHBondContact O-N 3.26Å; R184-Y272 PolarHBondContact N-OH 2.78Å; R184-Y272 PolarHBondContact O-OH 3.32Å
185G98.8Very high98.8Very high21 Ų2130.3 Ų30.322%0.21615%0.15CC..THydrogen-bonded Turntrans84.3-17.5175.600000115.6N149 Q183 R187N149-G185 PolarHBondContact O-N 3.04Å; Q183-G185 PolarHBondContact O-N 3.15Å; G185-R187 PolarHBondContact O-N 2.87Å
186M98.9Very high98.8Very high0 Ų026.3 Ų26.30%013%0.132CC..  trans-71.4129.3179.7-63.1179.4-179.300111L44 Y148 F169 I182 Q183 R184 Y272 P274L44-M186 HydrophobicContact CD2-CE 4.22Å; L44-M186 HydrophobicContact CD2-CG 3.78Å; Y148-M186 VanDerWaalsContact CB-O 3.31Å; Y148-M186 WeakPolarHBondContact CB-O 3.06Å; F169-M186 HydrophobicContact CD2-SD 4.37Å; F169-M186 HydrophobicContact CE2-CE 3.92Å; F169-M186 HydrophobicContact CE2-CG 4.06Å; F169-M186 HydrophobicContact CE2-SD 3.94Å; F169-M186 HydrophobicContact CZ-CE 4.13Å; I182-M186 HydrophobicContact CG2-CB 3.94Å; Q183-M186 HydrophobicContact CB-CE 3.94Å; Q183-M186 HydrophobicContact CB-SD 4.14Å; Q183-M186 HydrophobicContact CG-CE 4.46Å; Q183-M186 WeakPolarHBondContact O-CB 3.29Å; Q183-M186 WeakPolarHBondContact O-CG 3.46Å; Q183-M186 PolarHBondContact O-N 3.12Å; R184-M186 VanDerWaalsContact C-N 3.26Å; R184-M186 PolarHBondContact O-N 3.26Å; M186-Y272 HydrophobicContact CE-CD1 3.46Å; M186-Y272 VanDerWaalsContact CE-CD1 3.46Å; M186-Y272 HydrophobicContact CE-CD2 4.12Å; M186-Y272 HydrophobicContact CE-CE1 3.57Å; M186-Y272 HydrophobicContact CE-CE2 4.23Å; M186-Y272 HydrophobicContact CE-CG 3.75Å; M186-Y272 WeakPolarHBondContact CE-O 3.5Å; M186-P274 HydrophobicContact SD-CB 4.3Å; M186-P274 HydrophobicContact SD-CG 4.46Å
187R98.9Very high98.8Very high18 Ų1825.7 Ų25.77%0.06812%0.123CC..  trans-80.8133.3175.2-58.2166.8-175.8-130.43.4109.6S67 F147 Y148 T167 E168 G185S67-R187 PolarHBondContact O-NH2 2.67Å; F147-R187 CarbonylContact O-C 3.53Å; F147-R187 WeakPolarHBondContact O-CA 3.13Å; Y148-R187 HydrophobicContact CD1-CG 4.32Å; Y148-R187 HydrophobicContact CG-CG 4.43Å; T167-R187 WeakPolarHBondContact CA-O 3.44Å; E168-R187 HydrophobicContact CG-CB 3.99Å; E168-R187 PolarHBondContact N-O 3.41Å; E168-R187 WeakPolarHBondContact OE2-CB 3.28Å; E168-R187 PolarHBondContact OE2-N 2.88Å; G185-R187 PolarHBondContact O-N 2.87Å
188F98.9Very high98.8Very high1 Ų123.4 Ų23.40%0.00411%0.111CC..EExtended strand (participates in β ladder)trans-144.4158.3177.270.7-84000113F112 C146 F147 F154 I165 Y166 T167 I182 I190F112-F188 HydrophobicContact CD1-CE2 4.31Å; F112-F188 HydrophobicContact CE1-CE2 4.01Å; F112-F188 HydrophobicContact CE1-CZ 4.22Å; C146-F188 CarbonylContact C-O 3.56Å; C146-F188 WeakPolarHBondContact CA-O 3.21Å; C146-F188 VanDerWaalsContact CB-O 3.29Å; C146-F188 WeakPolarHBondContact CB-O 3.48Å; F147-F188 HydrophobicContact CB-CE1 4.34Å; F147-F188 HydrophobicContact CB-CZ 4.35Å; F147-F188 AromaticContact CD1-CE1 3.78Å; F147-F188 HydrophobicContact CD1-CE1 3.78Å; F147-F188 HydrophobicContact CD1-CE2 4.46Å; F147-F188 AromaticContact CD1-CZ 3.57Å; F147-F188 HydrophobicContact CD1-CZ 3.57Å; F147-F188 HydrophobicContact CE1-CZ 4.42Å; F147-F188 HydrophobicContact CG-CE1 4.44Å; F147-F188 HydrophobicContact CG-CZ 4.43Å; F147-F188 PolarHBondContact N-O 3.5Å; F147-F188 WeakPolarHBondContact O-CD1 3.4Å; F147-F188 PolarHBondContact O-N 2.8Å; F154-F188 HydrophobicContact CD2-CE1 4.32Å; F154-F188 HydrophobicContact CD2-CZ 4.22Å; F154-F188 HydrophobicContact CE2-CE1 4.47Å; F154-F188 HydrophobicContact CE2-CZ 4.36Å; I165-F188 HydrophobicContact CG2-CB 4.2Å; I165-F188 HydrophobicContact CG2-CD2 4.29Å; Y166-F188 CarbonylContact O-C 3.58Å; Y166-F188 WeakPolarHBondContact O-CA 3.41Å; Y166-F188 VanDerWaalsContact O-CB 3.29Å; Y166-F188 WeakPolarHBondContact O-CB 3.38Å; T167-F188 HydrophobicContact CG2-CB 4.11Å; I182-F188 HydrophobicContact CB-CD1 4.48Å; I182-F188 HydrophobicContact CD1-CB 3.93Å; I182-F188 HydrophobicContact CD1-CD1 3.76Å; I182-F188 HydrophobicContact CD1-CD2 3.49Å; I182-F188 VanDerWaalsContact CD1-CD2 3.49Å; I182-F188 HydrophobicContact CD1-CE1 4.02Å; I182-F188 HydrophobicContact CD1-CE2 3.79Å; I182-F188 HydrophobicContact CD1-CG 3.45Å; I182-F188 VanDerWaalsContact CD1-CG 3.45Å; I182-F188 HydrophobicContact CD1-CZ 4.01Å; I182-F188 HydrophobicContact CG2-CD1 3.66Å; I182-F188 HydrophobicContact CG2-CE1 4.05Å; I182-F188 HydrophobicContact CG2-CG 4.27Å; F188-I190 HydrophobicContact CD2-CD1 4.01Å; F188-I190 HydrophobicContact CD2-CG1 3.84Å; F188-I190 HydrophobicContact CE2-CD1 3.75Å; F188-I190 HydrophobicContact CE2-CG1 4.02Å
189S98.9Very high98.8Very high8 Ų822.8 Ų22.86%0.05611%0.108CC..EExtended strand (participates in β ladder)trans-137.6147.6173.2-179.20000109M142 R145 I165 Y166M142-S189 VanDerWaalsContact CB-OG 3.28Å; M142-S189 WeakPolarHBondContact CB-OG 3.14Å; R145-S189 WeakPolarHBondContact O-CB 3.32Å; R145-S189 PolarHBondContact O-OG 2.71Å; R145-S189 VanDerWaalsContact O-OG 3.11Å; I165-S189 CarbonylContact C-O 3.59Å; I165-S189 WeakPolarHBondContact CA-O 3.36Å; Y166-S189 PolarHBondContact N-O 3.14Å; Y166-S189 PolarHBondContact O-N 3.11Å
190I98.9Very high98.8Very high0 Ų022.7 Ų22.70%011%0.108CC..EExtended strand (participates in β ladder)trans-123.2120.8-173.2-59.1-170.4000110.3F112 M142 L163 I165 F188 V192F112-I190 HydrophobicContact CB-CB 4.2Å; F112-I190 HydrophobicContact CB-CD1 4.41Å; F112-I190 HydrophobicContact CD1-CD1 3.94Å; F112-I190 HydrophobicContact CD2-CD1 3.71Å; F112-I190 HydrophobicContact CE1-CD1 4.07Å; F112-I190 HydrophobicContact CE2-CD1 3.83Å; F112-I190 HydrophobicContact CG-CB 4.47Å; F112-I190 HydrophobicContact CG-CD1 3.75Å; F112-I190 HydrophobicContact CG-CG1 4.46Å; F112-I190 HydrophobicContact CZ-CD1 4Å; M142-I190 PolarHBondContact N-O 2.88Å; M142-I190 HydrophobicContact SD-CB 4.14Å; M142-I190 HydrophobicContact SD-CG1 4.45Å; M142-I190 PolarHBondContact SD-N 2.94Å; M142-I190 VanDerWaalsContact SD-N 3.37Å; L163-I190 HydrophobicContact CB-CG2 4.1Å; L163-I190 HydrophobicContact CD2-CG2 4Å; L163-I190 HydrophobicContact CG-CG2 4.49Å; I165-I190 HydrophobicContact CD1-CD1 4.31Å; I165-I190 HydrophobicContact CG1-CD1 4.22Å; I165-I190 HydrophobicContact CG1-CG1 4.13Å; I165-I190 HydrophobicContact CG2-CG1 4.22Å; F188-I190 HydrophobicContact CD2-CD1 4.01Å; F188-I190 HydrophobicContact CD2-CG1 3.84Å; F188-I190 HydrophobicContact CE2-CD1 3.75Å; F188-I190 HydrophobicContact CE2-CG1 4.02Å; I190-V192 HydrophobicContact CG2-CG1 4.09Å
191D98.9Very high98.8Very high37 Ų3722.7 Ų22.720%0.19811%0.108CC..EExtended strand (participates in β ladder)trans-85.6138.9163.1-87.8-20000110.5S141 L164 Y166 F193S141-D191 WeakPolarHBondContact CB-OD1 3.41Å; S141-D191 VanDerWaalsContact OG-CA 3.31Å; S141-D191 WeakPolarHBondContact OG-CA 3.22Å; S141-D191 PolarHBondContact OG-OD1 2.97Å; L164-D191 HydrophobicContact CB-CB 3.9Å; L164-D191 HydrophobicContact CD2-CB 4.32Å; L164-D191 HydrophobicContact CG-CB 4.33Å; L164-D191 PolarHBondContact N-O 2.88Å; L164-D191 PolarHBondContact O-N 3.14Å; Y166-D191 HydrophobicContact CE2-CB 4.03Å; Y166-D191 WeakPolarHBondContact CE2-OD2 3.36Å; Y166-D191 PolarHBondContact OH-OD2 2.92Å; D191-F193 HydrophobicContact CB-CZ 4.41Å
192V98.7Very high98.8Very high13 Ų1322.7 Ų22.78%0.07911%0.108CC..EExtended strand (participates in β ladder)trans-126.7153.7173.6-61.10000110.4T140 S141 L163 I190 T196T140-V192 WeakPolarHBondContact O-CG2 3.25Å; S141-V192 PolarHBondContact OG-N 3.44Å; L163-V192 HydrophobicContact CD2-CG1 4Å; I190-V192 HydrophobicContact CG2-CG1 4.09Å; V192-T196 HydrophobicContact CG1-CG2 3.96Å
193F98.2Very high98.8Very high107 Ų10722.6 Ų22.647%0.46911%0.107SC..SBendtrans-115.8-6.8-172-53.3-78.6000113.2M1 N162 L164 L173 D191M1-F193 HydrophobicContact CE-CE1 3.85Å; M1-F193 HydrophobicContact CE-CZ 3.98Å; N162-F193 HydrophobicContact CB-CD2 4.08Å; N162-F193 HydrophobicContact CB-CE2 4.41Å; N162-F193 WeakPolarHBondContact O-CD2 3.29Å; L164-F193 HydrophobicContact CB-CE2 3.86Å; L164-F193 HydrophobicContact CB-CZ 3.68Å; L164-F193 HydrophobicContact CD2-CZ 4.18Å; L173-F193 HydrophobicContact CD1-CE2 4.44Å; D191-F193 HydrophobicContact CB-CZ 4.41Å
194E98Very high98.8Very high91 Ų9122.3 Ų22.343%0.42511%0.106SC..SBendtrans-161.5178.3-17858.4-178.690.300110.1K160 T196K160-E194 IonicContact NZ-OE2 3.17Å; K160-E194 PolarHBondContact NZ-OE2 3.34Å; E194-T196 PolarHBondContact O-N 3.37Å; E194-T196 VanDerWaalsContact O-N 3.09Å; E194-T196 PolarHBondContact O-OG1 3.49Å
195E98.6Very high98.4Very high51 Ų5120.3 Ų20.324%0.23811%0.11CC..SBendtrans-53.8115.6162.9-76.8174.9-163.600109.9I102 K104 N139 K160I102-E195 HydrophobicContact CB-CB 4.36Å; I102-E195 HydrophobicContact CD1-CB 4.01Å; I102-E195 HydrophobicContact CG2-CB 3.85Å; I102-E195 HydrophobicContact CG2-CG 4.09Å; K104-E195 WeakPolarHBondContact CD-OE1 3.25Å; K104-E195 VanDerWaalsContact NZ-CD 3.28Å; K104-E195 IonicContact NZ-OE1 2.74Å; K104-E195 PolarHBondContact NZ-OE1 3.4Å; K104-E195 IonicContact NZ-OE2 3.77Å; K104-E195 PolarHBondContact NZ-OE2 3.12Å; N139-E195 HydrophobicContact CB-CG 4.31Å; K160-E195 PolarHBondContact NZ-O 3.37Å
196T98.8Very high98.4Very high0 Ų020.8 Ų20.80%011%0.109CC..EExtended strand (participates in β ladder)trans-120.9136.6-163.6-69.20000110.3F136 C138 K160 L163 V192 E194F136-T196 HydrophobicContact CD2-CG2 4.26Å; F136-T196 HydrophobicContact CE2-CG2 3.82Å; C138-T196 PolarHBondContact N-O 3.15Å; C138-T196 PolarHBondContact O-N 3.34Å; K160-T196 VanDerWaalsContact O-CA 3.32Å; K160-T196 WeakPolarHBondContact O-CA 3.37Å; L163-T196 HydrophobicContact CD2-CG2 3.5Å; L163-T196 VanDerWaalsContact CD2-CG2 3.5Å; V192-T196 HydrophobicContact CG1-CG2 3.96Å; E194-T196 PolarHBondContact O-N 3.37Å; E194-T196 VanDerWaalsContact O-N 3.09Å; E194-T196 PolarHBondContact O-OG1 3.49Å
197R98.9Very high98.4Very high32 Ų3222.3 Ų22.312%0.12112%0.116CC..EExtended strand (participates in β ladder)trans-143.7146.8179.3177.7174.362.9-130.3-3.6111.5F100 I102 I135 F136 L137 Q159 K160F100-R197 WeakPolarHBondContact O-CD 3.23Å; F100-R197 PolarHBondContact O-NH1 3.35Å; I102-R197 HydrophobicContact CD1-CB 3.74Å; I102-R197 HydrophobicContact CG1-CB 3.97Å; I135-R197 HydrophobicContact CG2-CG 4.42Å; F136-R197 VanDerWaalsContact O-CA 3.28Å; F136-R197 WeakPolarHBondContact O-CA 3.35Å; L137-R197 HydrophobicContact CD2-CB 4.09Å; L137-R197 HydrophobicContact CD2-CG 3.62Å; Q159-R197 WeakPolarHBondContact CA-O 3.25Å; Q159-R197 WeakPolarHBondContact CB-O 3.24Å; Q159-R197 PolarHBondContact N-O 2.54Å; K160-R197 HydrophobicContact CB-CB 4.48Å; K160-R197 PolarHBondContact N-O 3.46Å; K160-R197 PolarHBondContact O-N 2.8Å
198G98.8Very high98.4Very high1 Ų121.7 Ų21.71%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-174.4-167.6166.600000111.8I135 F136 V157I135-G198 WeakPolarHBondContact CA-O 3.36Å; F136-G198 WeakPolarHBondContact CD1-O 3.4Å; F136-G198 VanDerWaalsContact CE1-CA 3.42Å; F136-G198 PolarHBondContact N-O 2.9Å; F136-G198 VanDerWaalsContact N-O 3.09Å; F136-G198 PolarHBondContact O-N 3.06Å; V157-G198 WeakPolarHBondContact O-CA 3.12Å
199Y98.9Very high98.4Very high1 Ų124.4 Ų24.40%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-115.1154.5-173.7-42.9-98.5000109.4H134 I135 F136 V157 Q159 F342 L345 G360 G361 F398H134-Y199 CarbonylContact O-C 3.53Å; I135-Y199 HydrophobicContact CD1-CD1 3.55Å; I135-Y199 HydrophobicContact CD1-CE1 4.18Å; I135-Y199 HydrophobicContact CD1-CG 4.43Å; F136-Y199 WeakPolarHBondContact CE1-O 3.23Å; V157-Y199 HydrophobicContact CB-CD2 4.33Å; V157-Y199 HydrophobicContact CG1-CD2 4.41Å; V157-Y199 PolarHBondContact N-O 2.93Å; V157-Y199 PolarHBondContact O-N 3.16Å; Q159-Y199 HydrophobicContact CB-CD2 4.38Å; Q159-Y199 HydrophobicContact CB-CE2 3.8Å; Q159-Y199 HydrophobicContact CG-CE2 3.92Å; Y199-F342 HydrophobicContact CD1-CE1 4.12Å; Y199-F342 HydrophobicContact CD1-CZ 4.05Å; Y199-F342 HydrophobicContact CE1-CZ 4.33Å; Y199-L345 PolarHBondContact OH-N 2.94Å; Y199-L345 PolarHBondContact OH-O 2.85Å; Y199-G360 VanDerWaalsContact OH-C 3.29Å; Y199-G360 WeakPolarHBondContact OH-CA 3.42Å; Y199-G360 PolarHBondContact OH-N 3.39Å; Y199-G360 VanDerWaalsContact OH-N 3.1Å; Y199-G361 VanDerWaalsContact CE1-O 3.29Å; Y199-G361 WeakPolarHBondContact CE1-O 3.16Å; Y199-G361 PolarHBondContact OH-O 3.29Å; Y199-F398 AromaticContact CD1-CZ 3.91Å; Y199-F398 HydrophobicContact CD1-CZ 3.91Å; Y199-F398 AromaticContact CD2-CE1 3.56Å; Y199-F398 HydrophobicContact CD2-CE1 3.56Å; Y199-F398 AromaticContact CD2-CZ 3.44Å; Y199-F398 HydrophobicContact CD2-CZ 3.44Å; Y199-F398 VanDerWaalsContact CD2-CZ 3.44Å; Y199-F398 HydrophobicContact CE1-CZ 4.27Å; Y199-F398 AromaticContact CE2-CE1 3.59Å; Y199-F398 HydrophobicContact CE2-CE1 3.59Å; Y199-F398 AromaticContact CE2-CZ 3.85Å; Y199-F398 HydrophobicContact CE2-CZ 3.85Å; Y199-F398 HydrophobicContact CG-CE1 4.09Å; Y199-F398 AromaticContact CG-CZ 3.47Å; Y199-F398 HydrophobicContact CG-CZ 3.47Å; Y199-F398 VanDerWaalsContact CG-CZ 3.47Å
200L98.9Very high98.4Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-140.5127.1177.3-167.7161.1000108.6F112 L116 I133 H134 F154 L155 I156 E202F112-L200 HydrophobicContact CZ-CD1 3.95Å; L116-L200 HydrophobicContact CD2-CD1 4.21Å; I133-L200 CarbonylContact C-O 3.58Å; I133-L200 WeakPolarHBondContact CA-O 3.37Å; H134-L200 HydrophobicContact CB-CB 4.17Å; H134-L200 PolarHBondContact N-O 3.06Å; H134-L200 PolarHBondContact O-N 3.03Å; F154-L200 HydrophobicContact CB-CD1 4.21Å; F154-L200 HydrophobicContact CB-CD2 3.97Å; F154-L200 HydrophobicContact CB-CG 4.22Å; F154-L200 HydrophobicContact CD1-CD1 4.01Å; F154-L200 HydrophobicContact CD1-CD2 3.11Å; F154-L200 HydrophobicContact CD1-CG 4.07Å; F154-L200 HydrophobicContact CD2-CD1 4.34Å; F154-L200 HydrophobicContact CE1-CD1 4.31Å; F154-L200 HydrophobicContact CE1-CD2 3.63Å; F154-L200 HydrophobicContact CG-CD1 3.97Å; F154-L200 HydrophobicContact CG-CD2 3.75Å; F154-L200 HydrophobicContact CG-CG 4.26Å; L155-L200 CarbonylContact O-C 3.52Å; L155-L200 VanDerWaalsContact O-CA 3.3Å; L155-L200 WeakPolarHBondContact O-CA 3.5Å; I156-L200 HydrophobicContact CG1-CD1 4.01Å; I156-L200 HydrophobicContact CG1-CG 4.16Å; L200-E202 HydrophobicContact CD2-CB 4.05Å
201L98.9Very high98.4Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-101.1121.4166.4173.164.3000108.6L131 I133 L155 V203 F208 A313 F400L131-L201 HydrophobicContact CB-CD1 4.32Å; L131-L201 HydrophobicContact CD1-CD1 3.62Å; I133-L201 HydrophobicContact CG1-CD1 4.08Å; L155-L201 HydrophobicContact CB-CB 4.35Å; L155-L201 PolarHBondContact N-O 3.34Å; L155-L201 PolarHBondContact O-N 3.25Å; L201-V203 HydrophobicContact CD1-CG1 4.47Å; L201-V203 HydrophobicContact CG-CG1 4.3Å; L201-F208 HydrophobicContact CD2-CE1 3.78Å; L201-F208 HydrophobicContact CD2-CZ 3.75Å; L201-F208 HydrophobicContact CG-CZ 3.99Å; L201-A313 HydrophobicContact CD1-CB 4.33Å; L201-A313 HydrophobicContact CD2-CB 3.9Å; L201-F400 HydrophobicContact CB-CD1 4Å; L201-F400 HydrophobicContact CB-CD2 3.97Å; L201-F400 HydrophobicContact CB-CE1 3.81Å; L201-F400 HydrophobicContact CB-CE2 3.79Å; L201-F400 HydrophobicContact CB-CG 4.09Å; L201-F400 HydrophobicContact CB-CZ 3.7Å; L201-F400 HydrophobicContact CD1-CB 4.44Å; L201-F400 HydrophobicContact CD1-CG 4.39Å; L201-F400 HydrophobicContact CD2-CB 4.41Å; L201-F400 HydrophobicContact CD2-CD1 3.78Å; L201-F400 HydrophobicContact CD2-CE1 4.21Å; L201-F400 HydrophobicContact CD2-CG 4.11Å; L201-F400 HydrophobicContact CG-CD1 4.41Å; L201-F400 HydrophobicContact CG-CG 4.43Å
202E98.9Very high98.4Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-105.4128.6173-175.9-179.7-16700109.4L131 A132 H134 N149 D153 F154 L200 Y204 K248L131-E202 CarbonylContact C-O 3.51Å; L131-E202 WeakPolarHBondContact CA-O 3.31Å; L131-E202 VanDerWaalsContact CB-O 3.23Å; L131-E202 WeakPolarHBondContact CB-O 3.45Å; A132-E202 HydrophobicContact CB-CB 4.4Å; A132-E202 PolarHBondContact N-O 2.82Å; A132-E202 PolarHBondContact O-N 2.97Å; H134-E202 IonicContact CD2-OE2 2.73Å; H134-E202 IonicContact CE1-OE2 3.02Å; H134-E202 PolarHBondContact CE1-OE2 2.84Å; H134-E202 IonicContact NE2-OE2 2.68Å; H134-E202 PolarHBondContact NE2-OE2 2.82Å; N149-E202 PolarHBondContact ND2-OE1 2.84Å; D153-E202 VanDerWaalsContact O-CA 3.32Å; D153-E202 WeakPolarHBondContact O-CA 3.17Å; F154-E202 HydrophobicContact CD1-CB 3.7Å; F154-E202 HydrophobicContact CD1-CG 3.7Å; F154-E202 HydrophobicContact CE1-CB 3.74Å; F154-E202 VanDerWaalsContact CE1-CD 3.43Å; F154-E202 HydrophobicContact CE1-CG 3.53Å; L200-E202 HydrophobicContact CD2-CB 4.05Å; E202-Y204 HydrophobicContact CG-CD1 4.16Å; E202-Y204 HydrophobicContact CG-CE1 3.71Å; E202-Y204 WeakPolarHBondContact OE1-CE1 3.31Å; E202-K248 IonicContact OE1-NZ 3.54Å; E202-K248 PolarHBondContact OE1-NZ 2.96Å; E202-K248 IonicContact OE2-NZ 2.79Å; E202-K248 PolarHBondContact OE2-NZ 3.12Å
203V98.9Very high98.3Very high0 Ų034.7 Ų34.70%018%0.181CC..EExtended strand (participates in β ladder)trans-117.3133.6173.9-66.90000110.3L131 G152 D153 L201 V206 F208 A303 I312 A313L131-V203 HydrophobicContact CB-CG1 4.29Å; G152-V203 WeakPolarHBondContact CA-O 3.49Å; D153-V203 HydrophobicContact CB-CG2 4.11Å; D153-V203 PolarHBondContact N-O 3.47Å; D153-V203 VanDerWaalsContact N-O 3.15Å; D153-V203 PolarHBondContact O-N 2.83Å; D153-V203 VanDerWaalsContact O-N 3.12Å; L201-V203 HydrophobicContact CD1-CG1 4.47Å; L201-V203 HydrophobicContact CG-CG1 4.3Å; V203-V206 HydrophobicContact CB-CG1 3.92Å; V203-V206 HydrophobicContact CG2-CG1 3.94Å; V203-F208 HydrophobicContact CB-CZ 4.38Å; V203-F208 HydrophobicContact CG1-CE1 4.07Å; V203-F208 HydrophobicContact CG1-CZ 3.75Å; V203-F208 HydrophobicContact CG2-CD2 4.31Å; V203-F208 HydrophobicContact CG2-CE1 4.3Å; V203-F208 HydrophobicContact CG2-CE2 3.69Å; V203-F208 HydrophobicContact CG2-CZ 3.69Å; V203-A303 HydrophobicContact CB-CB 4.43Å; V203-A303 HydrophobicContact CG1-CB 4.08Å; V203-A303 HydrophobicContact CG2-CB 4.26Å; V203-I312 HydrophobicContact CB-CG2 4.49Å; V203-I312 HydrophobicContact CG1-CG2 4.22Å; V203-A313 HydrophobicContact CG1-CB 4.03Å
204Y98.8Very high98.4Very high7 Ų732.1 Ų32.13%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-90.6131-175.3-53.1-43.7000111.4I125 N128 G130 A132 D151 E202 V206I125-Y204 HydrophobicContact CB-CD2 4.28Å; I125-Y204 HydrophobicContact CB-CE2 4.07Å; I125-Y204 HydrophobicContact CD1-CD1 4.17Å; I125-Y204 HydrophobicContact CD1-CE1 3.57Å; I125-Y204 HydrophobicContact CD1-CE2 4.34Å; I125-Y204 HydrophobicContact CG1-CD1 4.02Å; I125-Y204 HydrophobicContact CG1-CD2 4.25Å; I125-Y204 HydrophobicContact CG1-CE1 3.86Å; I125-Y204 HydrophobicContact CG1-CE2 4.15Å; I125-Y204 HydrophobicContact CG1-CG 4.22Å; N128-Y204 CarbonylContact O-C 3.52Å; G130-Y204 WeakPolarHBondContact O-CD2 3.24Å; G130-Y204 PolarHBondContact O-N 2.82Å; A132-Y204 WeakPolarHBondContact CB-OH 3.05Å; D151-Y204 HydrophobicContact CB-CD1 4.23Å; D151-Y204 HydrophobicContact CB-CE1 4.47Å; E202-Y204 HydrophobicContact CG-CD1 4.16Å; E202-Y204 HydrophobicContact CG-CE1 3.71Å; E202-Y204 WeakPolarHBondContact OE1-CE1 3.31Å; Y204-V206 PolarHBondContact O-N 2.87Å
205G91.2Very high98.4Very high38 Ų3834.7 Ų34.739%0.39221%0.209SC..SBendtrans69.88.8170.700000116.9N128 D151N128-G205 VanDerWaalsContact CG-CA 3.44Å; N128-G205 WeakPolarHBondContact ND2-CA 3.34Å; N128-G205 WeakPolarHBondContact OD1-CA 3.46Å; N128-G205 PolarHBondContact OD1-N 3.02Å; N128-G205 VanDerWaalsContact OD1-N 3.11Å; D151-G205 PolarHBondContact O-N 2.8Å
206V98.4Very high98.4Very high31 Ų3134.9 Ų34.919%0.18821%0.211CC..  trans-143.7160.5-176.668.30000111.1V203 Y204 A303 K304 I312V203-V206 HydrophobicContact CB-CG1 3.92Å; V203-V206 HydrophobicContact CG2-CG1 3.94Å; Y204-V206 PolarHBondContact O-N 2.87Å; V206-A303 HydrophobicContact CG1-CB 4Å; V206-K304 HydrophobicContact CG2-CB 4.49Å; V206-I312 HydrophobicContact CG1-CG2 3.96Å
207H98.9Very high98.4Very high32 Ų3237 Ų3715%0.14823%0.233CC..  trans-109.1154.2176.3-55.4-57.3000111.4G46 D153 Y272G46-H207 PolarHBondContact O-NE2 3Å; D153-H207 VanDerWaalsContact CG-ND1 3.32Å; D153-H207 IonicContact OD1-CE1 2.78Å; D153-H207 IonicContact OD1-ND1 3.69Å; D153-H207 PolarHBondContact OD1-ND1 2.81Å; D153-H207 WeakPolarHBondContact OD2-CA 3.39Å; D153-H207 IonicContact OD2-CE1 2.87Å; D153-H207 IonicContact OD2-CG 3.88Å; D153-H207 IonicContact OD2-ND1 2.78Å; D153-H207 PolarHBondContact OD2-ND1 2.81Å; H207-Y272 AromaticContact CE1-CE2 3.53Å; H207-Y272 AromaticContact ND1-CE2 3.98Å
208F98.9Very high98.4Very high5 Ų539.8 Ų39.82%0.02226%0.263CS..EExtended strand (participates in β ladder)trans-72.9141.3169.3-66.2-76.4000111.4D153 L155 V181 L201 V203 L301 T302 A303D153-F208 HydrophobicContact CB-CD2 4.31Å; D153-F208 HydrophobicContact CB-CE2 4.25Å; L155-F208 HydrophobicContact CB-CD2 4.25Å; L155-F208 HydrophobicContact CB-CE2 3.58Å; L155-F208 HydrophobicContact CB-CZ 3.73Å; L155-F208 HydrophobicContact CD1-CD1 4.3Å; L155-F208 HydrophobicContact CD1-CE1 4.08Å; L155-F208 HydrophobicContact CD1-CE2 4.4Å; L155-F208 HydrophobicContact CD1-CZ 4.13Å; V181-F208 HydrophobicContact CG1-CD2 4.19Å; V181-F208 HydrophobicContact CG2-CD2 4.35Å; L201-F208 HydrophobicContact CD2-CE1 3.78Å; L201-F208 HydrophobicContact CD2-CZ 3.75Å; L201-F208 HydrophobicContact CG-CZ 3.99Å; V203-F208 HydrophobicContact CB-CZ 4.38Å; V203-F208 HydrophobicContact CG1-CE1 4.07Å; V203-F208 HydrophobicContact CG1-CZ 3.75Å; V203-F208 HydrophobicContact CG2-CD2 4.31Å; V203-F208 HydrophobicContact CG2-CE1 4.3Å; V203-F208 HydrophobicContact CG2-CE2 3.69Å; V203-F208 HydrophobicContact CG2-CZ 3.69Å; F208-L301 HydrophobicContact CB-CB 4.24Å; F208-L301 HydrophobicContact CB-CD1 4.22Å; F208-L301 HydrophobicContact CB-CD2 4.35Å; F208-L301 HydrophobicContact CD1-CB 4.23Å; F208-T302 CarbonylContact C-O 3.44Å; F208-T302 WeakPolarHBondContact CA-O 3.24Å; F208-A303 HydrophobicContact CD1-CB 3.93Å; F208-A303 HydrophobicContact CE1-CB 4.03Å
209E98.9Very high98.4Very high58 Ų5845.6 Ų45.627%0.27129%0.294SS..EExtended strand (participates in β ladder)trans-131162178-62.7178.1-12200109.8L301 T302 K304E209-L301 WeakPolarHBondContact O-CA 3.19Å; E209-L301 WeakPolarHBondContact O-CD2 3.38Å; E209-T302 PolarHBondContact N-O 3.22Å; E209-T302 PolarHBondContact O-N 3.45Å; E209-K304 IonicContact OE1-NZ 3.83Å; E209-K304 PolarHBondContact OE1-NZ 3.08Å; E209-K304 IonicContact OE2-NZ 3.53Å; E209-K304 PolarHBondContact OE2-NZ 3.4Å
210L98.9Very high98.3Very high43 Ų4345.8 Ų45.823%0.22530%0.296CS..PPolyproline II helixtrans-71.1144.9166.2-69.7174.1000109.7F10 A222 P224 F227 L301F10-L210 HydrophobicContact CB-CD1 4.17Å; F10-L210 HydrophobicContact CD1-CD1 3.9Å; F10-L210 HydrophobicContact CD1-CG 3.92Å; F10-L210 HydrophobicContact CE1-CG 4.12Å; F10-L210 HydrophobicContact CG-CD1 4.06Å; F10-L210 HydrophobicContact CG-CG 4.16Å; L210-A222 HydrophobicContact CD2-CB 4.04Å; L210-P224 HydrophobicContact CD1-CB 4.26Å; L210-P224 HydrophobicContact CD1-CG 3.73Å; L210-F227 HydrophobicContact CD2-CE2 3.69Å; L210-F227 HydrophobicContact CD2-CZ 3.67Å; L210-L301 HydrophobicContact CD2-CD2 4.23Å
211P98.6Very high98.3Very high25 Ų2546.1 Ų46.116%0.16230%0.298CS..PPolyproline II helixtrans-67.6148.417630.2-35.8000110.9L213 L221 T299 T302P211-L213 PolarHBondContact O-N 2.83Å; P211-L221 HydrophobicContact CG-CD1 4.07Å; P211-T299 HydrophobicContact CB-CG2 3.99Å; P211-T299 HydrophobicContact CG-CG2 3.94Å; P211-T302 HydrophobicContact CB-CG2 4.42Å
212D98.2Very high98.3Very high165 Ų16546.3 Ų46.388%0.88230%0.3SS*.PPolyproline II helixtrans-61.2125.9165.1-79.9-23.2000109G214D212-G214 VanDerWaalsContact C-N 3.28Å; D212-G214 PolarHBondContact O-N 2.91Å
213L98.6Very high98.3Very high41 Ų4148 Ų4822%0.21531%0.309CS..  trans-75.9-16.8-174.2-71.3-175000113.5P211 I216 G217 L221P211-L213 PolarHBondContact O-N 2.83Å; L213-I216 HydrophobicContact CB-CB 4.11Å; L213-I216 HydrophobicContact CD2-CG2 4.39Å; L213-I216 VanDerWaalsContact O-CB 3.23Å; L213-I216 WeakPolarHBondContact O-CB 3.22Å; L213-I216 WeakPolarHBondContact O-CG1 3.31Å; L213-I216 PolarHBondContact O-N 2.79Å; L213-G217 VanDerWaalsContact CB-O 3.22Å; L213-G217 WeakPolarHBondContact CB-O 3.48Å; L213-G217 VanDerWaalsContact CD1-O 3.31Å; L213-G217 WeakPolarHBondContact CD1-O 3.23Å; L213-L221 HydrophobicContact CD2-CB 4.29Å; L213-L221 HydrophobicContact CD2-CD1 3.62Å; L213-L221 HydrophobicContact CD2-CG 3.84Å
214G98.4Very high98.3Very high54 Ų5451 Ų5156%0.55733%0.328SS*.G310 helixtrans49.1-128.9-177.800000111.6D212 I216 G217D212-G214 VanDerWaalsContact C-N 3.28Å; D212-G214 PolarHBondContact O-N 2.91Å; G214-I216 PolarHBondContact O-N 2.83Å; G214-I216 VanDerWaalsContact O-N 3.16Å; G214-G217 PolarHBondContact O-N 2.88Å
215P98.6Very high98.3Very high144 Ų14458.4 Ų58.494%0.93536%0.356SS*.G310 helixtrans-62.9-14.6178.1-2435.3000116.2G217P215-G217 PolarHBondContact O-N 3.37Å
216I98.8Very high98.7Very high55 Ų5557.5 Ų57.528%0.28234%0.342SS..G310 helixtrans-64-28.8172.6-59.4169.8000109.8L213 G214 N219 L221 I285L213-I216 HydrophobicContact CB-CB 4.11Å; L213-I216 HydrophobicContact CD2-CG2 4.39Å; L213-I216 VanDerWaalsContact O-CB 3.23Å; L213-I216 WeakPolarHBondContact O-CB 3.22Å; L213-I216 WeakPolarHBondContact O-CG1 3.31Å; L213-I216 PolarHBondContact O-N 2.79Å; G214-I216 PolarHBondContact O-N 2.83Å; G214-I216 VanDerWaalsContact O-N 3.16Å; I216-N219 WeakPolarHBondContact CG2-O 3.32Å; I216-L221 HydrophobicContact CD1-CD1 3.99Å; I216-L221 HydrophobicContact CD1-CD2 4.07Å; I216-L221 HydrophobicContact CD1-CG 4.07Å; I216-I285 HydrophobicContact CD1-CG1 4.42Å; I216-I285 HydrophobicContact CG2-CG1 4.25Å
217G98.6Very high98.7Very high44 Ų4456 Ų5645%0.45433%0.334SS..  trans94.1-128.7171.200000112.8L213 G214 P215L213-G217 VanDerWaalsContact CB-O 3.22Å; L213-G217 WeakPolarHBondContact CB-O 3.48Å; L213-G217 VanDerWaalsContact CD1-O 3.31Å; L213-G217 WeakPolarHBondContact CD1-O 3.23Å; G214-G217 PolarHBondContact O-N 2.88Å; P215-G217 PolarHBondContact O-N 3.37Å
218A98.3Very high98.7Very high91 Ų9157 Ų5775%0.75234%0.34SS*.SBendtrans-103.5-3.3-170.200000114.4
219N98.8Very high98.7Very high123 Ų12357 Ų5766%0.65834%0.34SS*.SBendtrans-149.7144.2-176.7-54.9-90.5000110I216I216-N219 WeakPolarHBondContact CG2-O 3.32Å
220G98.2Very high98.7Very high5 Ų554.2 Ų54.25%0.05233%0.327CS..  trans136.1172.8-178.800000112A222 N223G220-A222 PolarHBondContact O-N 2.9Å; G220-N223 PolarHBondContact N-OD1 3.11Å; G220-N223 VanDerWaalsContact N-OD1 3.13Å
221L98.8Very high98.7Very high7 Ų755.2 Ų55.24%0.03733%0.331CS..BIsolated β-bridgetrans56.5-128.8-177.4-48.1-171.5000111.6P211 L213 I216 N223 F282 M283 I285 I297P211-L221 HydrophobicContact CG-CD1 4.07Å; L213-L221 HydrophobicContact CD2-CB 4.29Å; L213-L221 HydrophobicContact CD2-CD1 3.62Å; L213-L221 HydrophobicContact CD2-CG 3.84Å; I216-L221 HydrophobicContact CD1-CD1 3.99Å; I216-L221 HydrophobicContact CD1-CD2 4.07Å; I216-L221 HydrophobicContact CD1-CG 4.07Å; L221-N223 PolarHBondContact O-N 2.72Å; L221-F282 VanDerWaalsContact C-CD2 3.46Å; L221-F282 VanDerWaalsContact C-CE2 3.49Å; L221-F282 HydrophobicContact CB-CE2 3.67Å; L221-F282 HydrophobicContact CB-CZ 3.7Å; L221-F282 HydrophobicContact CD2-CE1 4.14Å; L221-F282 HydrophobicContact CD2-CZ 3.73Å; L221-F282 HydrophobicContact CG-CZ 4.25Å; L221-M283 WeakPolarHBondContact CA-O 3.39Å; L221-M283 PolarHBondContact N-O 2.89Å; L221-M283 PolarHBondContact O-N 3.28Å; L221-I285 HydrophobicContact CD2-CB 4.2Å; L221-I285 HydrophobicContact CD2-CG1 3.93Å; L221-I297 WeakPolarHBondContact CD2-O 3.43Å
222A98.9Very high98.7Very high5 Ų554.1 Ų54.14%0.04132%0.324CS..SBendtrans-86.291.6174.900000110.6L210 G220 F227 Y277 F282 V300L210-A222 HydrophobicContact CD2-CB 4.04Å; G220-A222 PolarHBondContact O-N 2.9Å; A222-F227 HydrophobicContact CB-CE2 3.83Å; A222-F227 HydrophobicContact CB-CZ 3.9Å; A222-Y277 HydrophobicContact CB-CE1 4.34Å; A222-Y277 HydrophobicContact CB-CE2 4.14Å; A222-F282 HydrophobicContact CB-CD2 4.03Å; A222-F282 HydrophobicContact CB-CE2 4.22Å; A222-V300 HydrophobicContact CB-CG1 3.95Å
223N98.9Very high98.8Very high35 Ų3549 Ų4919%0.18729%0.293CS..  trans-61.9134.2-179.3-73-60.7000111.4G220 L221 R225 D226G220-N223 PolarHBondContact N-OD1 3.11Å; G220-N223 VanDerWaalsContact N-OD1 3.13Å; L221-N223 PolarHBondContact O-N 2.72Å; N223-R225 PolarHBondContact O-N 3.21Å; N223-D226 PolarHBondContact O-N 2.8Å
224P98.9Very high98.8Very high62 Ų6249 Ų4940%0.40329%0.29SS..G310 helixtrans-55.7-32.2-173.7-27.131.8000115G9 F10 L210 D226 F227G9-P224 CarbonylContact C-O 3.59Å; G9-P224 VanDerWaalsContact CA-O 3.29Å; G9-P224 WeakPolarHBondContact CA-O 3.44Å; F10-P224 HydrophobicContact CB-CB 4.13Å; F10-P224 PolarHBondContact N-O 2.91Å; L210-P224 HydrophobicContact CD1-CB 4.26Å; L210-P224 HydrophobicContact CD1-CG 3.73Å; P224-D226 PolarHBondContact O-N 3.42Å; P224-F227 PolarHBondContact O-N 3.23Å
225R98.9Very high98.8Very high163 Ų16348.4 Ų48.462%0.61527%0.273SS*.G310 helixtrans-61.6-26.1-179.9-173.4-17954.755.712.2112.8S8 N223 F227S8-R225 WeakPolarHBondContact CB-O 3.33Å; N223-R225 PolarHBondContact O-N 3.21Å; R225-F227 VanDerWaalsContact C-N 3.31Å
226D98.9Very high98.8Very high20 Ų2047.1 Ų47.111%0.10726%0.258CS..G310 helixtrans-89.91.1-173.4-62.5-44.7000112.9N223 P224 Y277 N281N223-D226 PolarHBondContact O-N 2.8Å; P224-D226 PolarHBondContact O-N 3.42Å; D226-Y277 HydrophobicContact CB-CD2 4.11Å; D226-Y277 HydrophobicContact CB-CE2 3.74Å; D226-Y277 WeakPolarHBondContact O-CD2 3.3Å; D226-N281 HydrophobicContact CB-CB 4.16Å
227F98.9Very high98.7Very high0 Ų048.1 Ų48.10%026%0.258CS..EExtended strand (participates in β ladder)trans-84.4123168-69.8-98.2000110.1S8 G9 F10 L210 A222 P224 R225 Y275 Y277 L301S8-F227 WeakPolarHBondContact CA-O 3.41Å; G9-F227 PolarHBondContact N-O 3.29Å; F10-F227 HydrophobicContact CB-CB 4.01Å; F10-F227 HydrophobicContact CB-CD2 3.9Å; F10-F227 HydrophobicContact CB-CG 3.93Å; F10-F227 HydrophobicContact CD2-CB 4.31Å; F10-F227 AromaticContact CD2-CD1 3.59Å; F10-F227 HydrophobicContact CD2-CD1 3.59Å; F10-F227 HydrophobicContact CD2-CD2 4.2Å; F10-F227 AromaticContact CD2-CE1 3.86Å; F10-F227 HydrophobicContact CD2-CE1 3.86Å; F10-F227 HydrophobicContact CD2-CE2 4.44Å; F10-F227 AromaticContact CD2-CG 3.77Å; F10-F227 HydrophobicContact CD2-CG 3.77Å; F10-F227 HydrophobicContact CD2-CZ 4.28Å; F10-F227 HydrophobicContact CE2-CD1 4.29Å; F10-F227 HydrophobicContact CE2-CE1 4.24Å; F10-F227 HydrophobicContact CG-CD2 4.44Å; F10-F227 HydrophobicContact CG-CG 4.32Å; L210-F227 HydrophobicContact CD2-CE2 3.69Å; L210-F227 HydrophobicContact CD2-CZ 3.67Å; A222-F227 HydrophobicContact CB-CE2 3.83Å; A222-F227 HydrophobicContact CB-CZ 3.9Å; P224-F227 PolarHBondContact O-N 3.23Å; R225-F227 VanDerWaalsContact C-N 3.31Å; F227-Y275 AromaticContact CD1-CD2 3.73Å; F227-Y275 HydrophobicContact CD1-CD2 3.73Å; F227-Y275 AromaticContact CD1-CE2 3.94Å; F227-Y275 HydrophobicContact CD1-CE2 3.94Å; F227-Y275 HydrophobicContact CE1-CD2 4.31Å; F227-Y275 HydrophobicContact CE1-CE2 4.1Å; F227-Y277 HydrophobicContact CD1-CD2 4.18Å; F227-Y277 HydrophobicContact CD1-CG 4.3Å; F227-Y277 AromaticContact CD2-CD2 3.8Å; F227-Y277 HydrophobicContact CD2-CD2 3.8Å; F227-Y277 HydrophobicContact CD2-CE2 4.28Å; F227-Y277 HydrophobicContact CE1-CD2 4.1Å; F227-Y277 HydrophobicContact CE1-CG 4.02Å; F227-Y277 AromaticContact CE2-CD2 3.68Å; F227-Y277 HydrophobicContact CE2-CD2 3.68Å; F227-Y277 AromaticContact CE2-CE2 3.94Å; F227-Y277 HydrophobicContact CE2-CE2 3.94Å; F227-Y277 HydrophobicContact CE2-CG 4.36Å; F227-Y277 HydrophobicContact CG-CD2 4.05Å; F227-Y277 AromaticContact CZ-CD2 3.85Å; F227-Y277 HydrophobicContact CZ-CD2 3.85Å; F227-Y277 HydrophobicContact CZ-CE2 4.31Å; F227-Y277 HydrophobicContact CZ-CG 4.06Å; F227-L301 HydrophobicContact CE1-CD1 4.38Å; F227-L301 HydrophobicContact CE1-CD2 4.1Å; F227-L301 HydrophobicContact CE1-CG 4.43Å; F227-L301 HydrophobicContact CZ-CD2 4.19Å
228L98.9Very high98.7Very high53 Ų5353 Ų5328%0.27727%0.27SS..EExtended strand (participates in β ladder)trans-112.7132.3-171.7-58.5-176.9000111.2Y6 I7 Y275 K276Y6-L228 HydrophobicContact CD1-CB 4.2Å; Y6-L228 HydrophobicContact CD2-CD1 4.19Å; Y6-L228 HydrophobicContact CG-CB 3.99Å; Y6-L228 HydrophobicContact CG-CD1 4.31Å; I7-L228 CarbonylContact O-C 3.48Å; I7-L228 VanDerWaalsContact O-CA 3.3Å; I7-L228 WeakPolarHBondContact O-CA 3.46Å; L228-Y275 CarbonylContact O-C 3.53Å; L228-Y275 VanDerWaalsContact O-CA 3.23Å; L228-Y275 WeakPolarHBondContact O-CA 3.3Å; L228-K276 HydrophobicContact CB-CG 3.95Å; L228-K276 PolarHBondContact N-O 3.09Å; L228-K276 PolarHBondContact O-N 2.64Å
229I98.9Very high98.7Very high4 Ų449.1 Ų49.12%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-113.9135-177.3-62.6164.6000107.9Y6 I7 W268 T273Y6-I229 CarbonylContact C-O 3.52Å; Y6-I229 VanDerWaalsContact CA-O 3.24Å; Y6-I229 WeakPolarHBondContact CA-O 3.4Å; Y6-I229 WeakPolarHBondContact CB-O 3.24Å; I7-I229 HydrophobicContact CB-CB 4.37Å; I7-I229 PolarHBondContact N-O 3.19Å; I7-I229 PolarHBondContact O-N 3.31Å; I229-W268 HydrophobicContact CG2-CH2 3.76Å; I229-W268 HydrophobicContact CG2-CZ2 4.02Å; I229-T273 WeakPolarHBondContact CD1-OG1 3.06Å; I229-T273 HydrophobicContact CG2-CG2 4.06Å
230P98.9Very high98.6Very high0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-64.7145.1-179.428.7-35.3000111.1F169 K171 M172 W268 P274F169-P230 HydrophobicContact CB-CG 4.04Å; K171-P230 WeakPolarHBondContact O-CB 3.23Å; M172-P230 HydrophobicContact CG-CB 3.85Å; M172-P230 HydrophobicContact CG-CG 3.89Å; M172-P230 HydrophobicContact SD-CG 4.31Å; P230-W268 WeakPolarHBondContact O-CZ2 3.49Å; P230-P274 WeakPolarHBondContact CD-O 3.42Å; P230-P274 HydrophobicContact CG-CG 3.9Å
231I98.9Very high98.3Very high63 Ų6352.3 Ų52.332%0.32328%0.275SS..PPolyproline II helixtrans-76.1150.8166.961.2168.8000110.5K5 I7 F169 G170 W233K5-I231 HydrophobicContact CB-CD1 4.03Å; I7-I231 HydrophobicContact CD1-CG2 4.46Å; I7-I231 HydrophobicContact CG1-CG2 4.1Å; F169-I231 CarbonylContact O-C 3.51Å; F169-I231 VanDerWaalsContact O-C 3.29Å; F169-I231 VanDerWaalsContact O-O 3.12Å; G170-I231 WeakPolarHBondContact CA-O 3.41Å; I231-W233 PolarHBondContact O-N 3.23Å
232A98.9Very high98.3Very high2 Ų252.7 Ų52.72%0.01728%0.28CS..PPolyproline II helixtrans-48.6131.5176.500000111.6S16 F169S16-A232 WeakPolarHBondContact OG-CB 3.48Å; S16-A232 PolarHBondContact OG-N 2.75Å; F169-A232 WeakPolarHBondContact O-CA 2.98Å; F169-A232 PolarHBondContact O-N 2.79Å
233W98.9Very high98.2Very high58 Ų5852.6 Ų52.622%0.2228%0.279CS..  trans-149.5137.6174.3172.486.9000108.4D18 Y166 K171 I231 E235 F263D18-W233 WeakPolarHBondContact OD2-CA 3.36Å; Y166-W233 HydrophobicContact CD1-CH2 4.16Å; Y166-W233 AromaticContact CD1-CZ3 3.9Å; Y166-W233 HydrophobicContact CD1-CZ3 3.9Å; Y166-W233 HydrophobicContact CE1-CH2 4.35Å; K171-W233 HydrophobicContact CD-CD2 4.33Å; K171-W233 VanDerWaalsContact CE-CE3 3.42Å; K171-W233 VanDerWaalsContact CE-CZ2 3.42Å; K171-W233 HydrophobicContact CG-CD2 4.4Å; K171-W233 HydrophobicContact CG-CE3 4.29Å; I231-W233 PolarHBondContact O-N 3.23Å; W233-E235 HydrophobicContact CH2-CB 3.68Å; W233-E235 HydrophobicContact CH2-CG 3.63Å; W233-E235 HydrophobicContact CZ2-CB 4.06Å; W233-E235 HydrophobicContact CZ2-CG 4.5Å; W233-E235 HydrophobicContact CZ3-CB 4.35Å; W233-E235 HydrophobicContact CZ3-CG 3.99Å; W233-F263 HydrophobicContact CZ3-CB 3.98Å
234Y98.9Very high98.2Very high41 Ų4152.8 Ų52.816%0.16128%0.281CS..  trans-128.8155.2176.580.8-81.1000113.2D18 R20 I64 D236 F263 V265 V266D18-Y234 HydrophobicContact CB-CD1 3.92Å; D18-Y234 HydrophobicContact CB-CE1 4.21Å; D18-Y234 WeakPolarHBondContact OD2-CD1 3.42Å; D18-Y234 PolarHBondContact OD2-N 3.1Å; R20-Y234 VanDerWaalsContact CZ-CE1 3.48Å; R20-Y234 VanDerWaalsContact NH2-CD1 3.28Å; R20-Y234 PolarHBondContact NH2-O 3.31Å; I64-Y234 HydrophobicContact CD1-CD2 3.65Å; I64-Y234 HydrophobicContact CD1-CE2 3.89Å; Y234-D236 HydrophobicContact CD2-CB 4.4Å; Y234-D236 HydrophobicContact CE2-CB 4.12Å; Y234-F263 CarbonylContact C-O 3.59Å; Y234-F263 VanDerWaalsContact CA-O 3.3Å; Y234-F263 WeakPolarHBondContact CA-O 3.19Å; Y234-V265 WeakPolarHBondContact CB-O 3.17Å; Y234-V266 HydrophobicContact CD1-CB 4.38Å; Y234-V266 HydrophobicContact CD1-CG1 4.33Å; Y234-V266 HydrophobicContact CD1-CG2 3.97Å; Y234-V266 HydrophobicContact CD2-CG2 4.17Å; Y234-V266 HydrophobicContact CE1-CG1 4.39Å; Y234-V266 HydrophobicContact CE1-CG2 4.32Å; Y234-V266 HydrophobicContact CE2-CG2 4.48Å; Y234-V266 HydrophobicContact CG-CG2 3.9Å
235E98.3Very high98.3Very high42 Ų4249.8 Ų49.820%0.19626%0.262CS..  trans-119.4125.5158.453.1172.1-177.300110.4W233 R237 S261 F263W233-E235 HydrophobicContact CH2-CB 3.68Å; W233-E235 HydrophobicContact CH2-CG 3.63Å; W233-E235 HydrophobicContact CZ2-CB 4.06Å; W233-E235 HydrophobicContact CZ2-CG 4.5Å; W233-E235 HydrophobicContact CZ3-CB 4.35Å; W233-E235 HydrophobicContact CZ3-CG 3.99Å; E235-R237 HydrophobicContact CB-CB 4.27Å; E235-R237 HydrophobicContact CG-CB 4.41Å; E235-R237 PolarHBondContact O-N 3.1Å; E235-R237 IonicContact OE1-CZ 3.6Å; E235-R237 IonicContact OE1-NE 3.58Å; E235-R237 IonicContact OE1-NH2 3.63Å; E235-R237 PolarHBondContact OE1-NH2 3.01Å; E235-R237 WeakPolarHBondContact OE2-CD 3.16Å; E235-R237 IonicContact OE2-CZ 3.38Å; E235-R237 IonicContact OE2-NE 2.67Å; E235-R237 PolarHBondContact OE2-NE 2.83Å; E235-R237 IonicContact OE2-NH2 3.59Å; E235-S261 WeakPolarHBondContact OE1-CB 3.26Å; E235-S261 PolarHBondContact OE1-OG 3.17Å; E235-F263 HydrophobicContact CG-CB 4.12Å; E235-F263 PolarHBondContact N-O 2.87Å
236D98.6Very high98.3Very high116 Ų11642.2 Ų42.262%0.6223%0.234SC*.  trans-91.384.5165.5-1729.3000108.1I64 Y234I64-D236 HydrophobicContact CD1-CB 3.61Å; Y234-D236 HydrophobicContact CD2-CB 4.4Å; Y234-D236 HydrophobicContact CE2-CB 4.12Å
237R98.5Very high98.3Very high76 Ų7641.8 Ų41.829%0.28723%0.231SC..  trans-129.1107.7-170.7-172175.963.283.63.1110.9N144 E235 V260 S261N144-R237 PolarHBondContact OD1-NH1 3.23Å; N144-R237 PolarHBondContact OD1-NH2 3.28Å; E235-R237 HydrophobicContact CB-CB 4.27Å; E235-R237 HydrophobicContact CG-CB 4.41Å; E235-R237 PolarHBondContact O-N 3.1Å; E235-R237 IonicContact OE1-CZ 3.6Å; E235-R237 IonicContact OE1-NE 3.58Å; E235-R237 IonicContact OE1-NH2 3.63Å; E235-R237 PolarHBondContact OE1-NH2 3.01Å; E235-R237 WeakPolarHBondContact OE2-CD 3.16Å; E235-R237 IonicContact OE2-CZ 3.38Å; E235-R237 IonicContact OE2-NE 2.67Å; E235-R237 PolarHBondContact OE2-NE 2.83Å; E235-R237 IonicContact OE2-NH2 3.59Å; R237-V260 CarbonylContact O-C 3.49Å; R237-V260 WeakPolarHBondContact O-CA 3.33Å; R237-S261 PolarHBondContact O-N 2.96Å
238Q97.8Very high98.3Very high148 Ų14842 Ų4269%0.69223%0.232SC*.EExtended strand (participates in β ladder)trans-71.9142.2165.5-163.8174.8700110.2D259Q238-D259 WeakPolarHBondContact CA-O 3.39Å; Q238-D259 WeakPolarHBondContact CG-O 3.32Å
239V97.9Very high98.3Very high8 Ų844.7 Ų44.75%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-121.7101.9-173.8-172.10000109.6N144 G241 G242 Y243 D259N144-V239 HydrophobicContact CB-CG1 4.14Å; V239-G241 PolarHBondContact O-N 2.92Å; V239-G242 WeakPolarHBondContact O-CA 3.21Å; V239-G242 PolarHBondContact O-N 2.6Å; V239-Y243 HydrophobicContact CG2-CD2 4.05Å; V239-D259 PolarHBondContact N-O 2.68Å
240P95.8Very high98.2Very high129 Ų12948.4 Ų48.484%0.83826%0.257SS*.EExtended strand (participates in β ladder)trans-52.7128.3173.3-26.335.1000111G242P240-G242 VanDerWaalsContact C-N 3.3Å; P240-G242 PolarHBondContact O-N 3.36Å
241G93.4Very high98.2Very high67 Ų6748.4 Ų48.469%0.69126%0.257SS*.EExtended strand (participates in β ladder)trans85-6-176.700000115.8V239 K257V239-G241 PolarHBondContact O-N 2.92Å; G241-K257 PolarHBondContact O-NZ 2.83Å
242G97.3Very high98.2Very high14 Ų1449.6 Ų49.614%0.14426%0.26CS..EExtended strand (participates in β ladder)trans93.3138.917400000114.3V239 P240 Q258V239-G242 WeakPolarHBondContact O-CA 3.21Å; V239-G242 PolarHBondContact O-N 2.6Å; P240-G242 VanDerWaalsContact C-N 3.3Å; P240-G242 PolarHBondContact O-N 3.36Å; G242-Q258 CarbonylContact C-O 3.45Å; G242-Q258 WeakPolarHBondContact CA-O 3.44Å
243Y98.8Very high98.2Very high3 Ų349.8 Ų49.81%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-80.3135.7167.5-169.3-77.9000110.1N144 R145 C146 V239 V245 K257 Q258 P262 F263N144-Y243 HydrophobicContact CB-CD2 4.45Å; N144-Y243 WeakPolarHBondContact O-CA 3.43Å; R145-Y243 VanDerWaalsContact C-CZ 3.42Å; R145-Y243 PolarHBondContact O-OH 3.02Å; R145-Y243 VanDerWaalsContact O-OH 3.1Å; C146-Y243 HydrophobicContact CB-CE1 3.75Å; C146-Y243 WeakPolarHBondContact CB-OH 3.14Å; C146-Y243 VanDerWaalsContact N-CE1 3.28Å; C146-Y243 PolarHBondContact N-OH 3.47Å; V239-Y243 HydrophobicContact CG2-CD2 4.05Å; Y243-V245 HydrophobicContact CD1-CG2 4.45Å; Y243-K257 CarbonylContact O-C 3.5Å; Y243-K257 WeakPolarHBondContact O-CA 3.44Å; Y243-Q258 PolarHBondContact N-O 2.76Å; Y243-Q258 PolarHBondContact O-N 2.9Å; Y243-P262 HydrophobicContact CD1-CG 4.24Å; Y243-P262 HydrophobicContact CE1-CG 3.6Å; Y243-F263 VanDerWaalsContact OH-CE2 3.25Å; Y243-F263 WeakPolarHBondContact OH-CE2 3.14Å
244T98.9Very high98.2Very high39 Ų3949.6 Ų49.624%0.23926%0.262CS..EExtended strand (participates in β ladder)trans-97.8123.2-177.2-55.90000111.8N144 R145 C146 I246 A255 A256N144-T244 PolarHBondContact O-N 3.37Å; R145-T244 CarbonylContact C-O 3.55Å; R145-T244 WeakPolarHBondContact CA-O 3.46Å; R145-T244 VanDerWaalsContact CB-O 3.31Å; R145-T244 WeakPolarHBondContact CB-O 3.2Å; C146-T244 PolarHBondContact N-O 3.47Å; T244-I246 HydrophobicContact CG2-CG1 4.15Å; T244-A255 HydrophobicContact CG2-CB 3.9Å; T244-A256 CarbonylContact C-O 3.56Å; T244-A256 WeakPolarHBondContact CA-O 3.15Å
245V98.9Very high98.2Very high0 Ų048.6 Ų48.60%026%0.261CS..EExtended strand (participates in β ladder)trans-99.4115.2171.2-178.70000107.9F73 Y148 Y243 A255 A256 Q258F73-V245 HydrophobicContact CE1-CG1 4.33Å; F73-V245 WeakPolarHBondContact CE1-O 3.41Å; F73-V245 HydrophobicContact CZ-CG1 4.14Å; Y148-V245 HydrophobicContact CD1-CG1 3.79Å; Y148-V245 HydrophobicContact CE1-CG1 3.7Å; Y243-V245 HydrophobicContact CD1-CG2 4.45Å; V245-A255 CarbonylContact O-C 3.6Å; V245-A255 VanDerWaalsContact O-CA 3.32Å; V245-A255 WeakPolarHBondContact O-CA 3.49Å; V245-A256 PolarHBondContact N-O 3.03Å; V245-A256 PolarHBondContact O-N 3.37Å; V245-Q258 HydrophobicContact CG2-CG 4.03Å
246I98.9Very high98.2Very high3 Ų346.7 Ų46.72%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-93.1131172.7-56.1177.8000108.5I76 V113 C146 F147 Y148 T244 F254I76-I246 HydrophobicContact CD1-CD1 4.39Å; I76-I246 HydrophobicContact CD1-CG1 4.48Å; I76-I246 HydrophobicContact CD1-CG2 4.04Å; V113-I246 HydrophobicContact CG1-CD1 4.18Å; V113-I246 HydrophobicContact CG1-CG2 4.41Å; C146-I246 PolarHBondContact O-N 3.06Å; F147-I246 CarbonylContact C-O 3.59Å; F147-I246 VanDerWaalsContact CA-O 3.29Å; F147-I246 WeakPolarHBondContact CA-O 3.14Å; F147-I246 HydrophobicContact CD2-CB 3.84Å; F147-I246 HydrophobicContact CD2-CG2 3.64Å; F147-I246 WeakPolarHBondContact CD2-O 3.3Å; F147-I246 HydrophobicContact CE2-CG2 3.91Å; Y148-I246 WeakPolarHBondContact CD1-O 3.28Å; Y148-I246 PolarHBondContact N-O 2.94Å; T244-I246 HydrophobicContact CG2-CG1 4.15Å; I246-F254 CarbonylContact C-O 3.47Å; I246-F254 VanDerWaalsContact CA-O 3.25Å; I246-F254 WeakPolarHBondContact CA-O 3.25Å
247N98.9Very high98.2Very high11 Ų1146.2 Ų46.26%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-114.5127.8174.3-17712.8000109.4F73 Y148 S150 L253 F254F73-N247 HydrophobicContact CD1-CB 4.16Å; F73-N247 HydrophobicContact CE1-CB 3.63Å; F73-N247 HydrophobicContact CZ-CB 4.09Å; Y148-N247 HydrophobicContact CD1-CB 4.13Å; Y148-N247 HydrophobicContact CE1-CB 3.43Å; Y148-N247 VanDerWaalsContact CE1-CB 3.43Å; Y148-N247 HydrophobicContact CE2-CB 4.3Å; Y148-N247 VanDerWaalsContact CE2-OD1 3.26Å; Y148-N247 WeakPolarHBondContact CE2-OD1 3.47Å; Y148-N247 WeakPolarHBondContact O-CA 3.48Å; Y148-N247 VanDerWaalsContact OH-CG 3.22Å; Y148-N247 PolarHBondContact OH-ND2 3.32Å; S150-N247 WeakPolarHBondContact CB-OD1 3.49Å; S150-N247 VanDerWaalsContact OG-CG 3.32Å; S150-N247 PolarHBondContact OG-ND2 3.01Å; S150-N247 PolarHBondContact OG-OD1 2.98Å; N247-L253 WeakPolarHBondContact O-CA 3.13Å; N247-F254 PolarHBondContact N-O 2.8Å; N247-F254 PolarHBondContact O-N 2.84Å
248K98.9Very high98.2Very high5 Ų543.1 Ų43.12%0.02223%0.234CC..EExtended strand (participates in β ladder)trans-89.8113.3160.3177.4177.2175.3-690109.1V81 F147 Y148 S150 D151 E202 K252 L253V81-K248 HydrophobicContact CG1-CD 4.3Å; F147-K248 HydrophobicContact CE2-CB 3.61Å; F147-K248 HydrophobicContact CZ-CB 3.46Å; F147-K248 VanDerWaalsContact CZ-CB 3.46Å; F147-K248 HydrophobicContact CZ-CD 4.23Å; F147-K248 HydrophobicContact CZ-CG 4.47Å; Y148-K248 PolarHBondContact O-N 3.4Å; S150-K248 WeakPolarHBondContact CA-O 3.39Å; S150-K248 VanDerWaalsContact CB-O 3.24Å; S150-K248 WeakPolarHBondContact CB-O 3.4Å; S150-K248 PolarHBondContact N-O 3.13Å; D151-K248 WeakPolarHBondContact OD2-CG 3.01Å; D151-K248 IonicContact OD2-NZ 2.96Å; D151-K248 PolarHBondContact OD2-NZ 3.46Å; E202-K248 IonicContact OE1-NZ 3.54Å; E202-K248 PolarHBondContact OE1-NZ 2.96Å; E202-K248 IonicContact OE2-NZ 2.79Å; E202-K248 PolarHBondContact OE2-NZ 3.12Å; K248-K252 CarbonylContact C-O 3.58Å; K248-K252 WeakPolarHBondContact CA-O 3.48Å; K248-L253 HydrophobicContact CB-CD2 3.7Å; K248-L253 HydrophobicContact CG-CD2 4.09Å
249Y98.9Very high98.3Very high110 Ų11041 Ų4143%0.43123%0.228SC..EExtended strand (participates in β ladder)trans-133123.9-177.4177.1-97.1000110.9G251 K252 F254Y249-G251 PolarHBondContact O-N 3.36Å; Y249-K252 PolarHBondContact N-O 3.08Å; Y249-K252 PolarHBondContact O-N 3.13Å; Y249-F254 HydrophobicContact CD1-CE2 4.24Å
250Q98.6Very high98.3Very high81 Ų8141.6 Ų41.638%0.37923%0.232SC..THydrogen-bonded Turntrans49.238.9-172-61.1-177.4-11.200111.8H83 D151 K252H83-Q250 PolarHBondContact CE1-O 3.11Å; D151-Q250 WeakPolarHBondContact OD1-CA 3.2Å; D151-Q250 PolarHBondContact OD1-N 3.4Å; D151-Q250 PolarHBondContact OD2-N 2.67Å; Q250-K252 PolarHBondContact O-N 2.71Å
251G98Very high98.4Very high1 Ų135.5 Ų35.51%0.0119%0.192CC..THydrogen-bonded Turntrans64.719.2-179.100000115.4H83 D151 Y249H83-G251 PolarHBondContact CE1-O 2.87Å; H83-G251 WeakPolarHBondContact ND1-CA 3.31Å; H83-G251 PolarHBondContact ND1-O 2.84Å; H83-G251 VanDerWaalsContact ND1-O 3.15Å; D151-G251 WeakPolarHBondContact OD2-CA 3.45Å; D151-G251 PolarHBondContact OD2-N 3.4Å; Y249-G251 PolarHBondContact O-N 3.36Å
252K98.8Very high98.7Very high88 Ų8832.3 Ų32.338%0.38316%0.159SC..EExtended strand (participates in β ladder)trans-111.5156.8169.7-66.2-71.7175.6-73.60110E78 H83 K248 Y249 Q250 F254E78-K252 HydrophobicContact CG-CD 4.07Å; E78-K252 WeakPolarHBondContact OE1-CA 3.36Å; E78-K252 WeakPolarHBondContact OE1-CB 3.5Å; E78-K252 WeakPolarHBondContact OE1-CD 3.09Å; H83-K252 PolarHBondContact CE1-NZ 3.11Å; K248-K252 CarbonylContact C-O 3.58Å; K248-K252 WeakPolarHBondContact CA-O 3.48Å; Y249-K252 PolarHBondContact N-O 3.08Å; Y249-K252 PolarHBondContact O-N 3.13Å; Q250-K252 PolarHBondContact O-N 2.71Å; K252-F254 HydrophobicContact CB-CE2 3.71Å; K252-F254 HydrophobicContact CB-CZ 4.16Å
253L98.9Very high98.7Very high6 Ų631.9 Ų31.93%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-104.9134.6-179.1-63.6-170.1000111.2I76 E78 F147 N247 K248I76-L253 HydrophobicContact CD1-CB 3.97Å; I76-L253 HydrophobicContact CG1-CB 3.56Å; I76-L253 WeakPolarHBondContact CG1-O 3.48Å; I76-L253 PolarHBondContact N-O 3.09Å; E78-L253 HydrophobicContact CG-CB 4.39Å; E78-L253 HydrophobicContact CG-CG 4.22Å; E78-L253 PolarHBondContact OE1-N 2.91Å; E78-L253 VanDerWaalsContact OE1-N 3.15Å; F147-L253 HydrophobicContact CE2-CD2 3.98Å; F147-L253 HydrophobicContact CZ-CD2 4.35Å; N247-L253 WeakPolarHBondContact O-CA 3.13Å; K248-L253 HydrophobicContact CB-CD2 3.7Å; K248-L253 HydrophobicContact CG-CD2 4.09Å
254F98.9Very high98.8Very high54 Ų5431.9 Ų31.924%0.23715%0.154CC..EExtended strand (participates in β ladder)trans-131.1152.2176.2-59.8-93.9000110.3F73 E74 I246 N247 Y249 K252F73-F254 HydrophobicContact CB-CB 4.06Å; F73-F254 HydrophobicContact CD1-CB 3.79Å; F73-F254 HydrophobicContact CG-CB 4.27Å; E74-F254 CarbonylContact O-C 3.57Å; E74-F254 WeakPolarHBondContact O-CA 3.48Å; I246-F254 CarbonylContact C-O 3.47Å; I246-F254 VanDerWaalsContact CA-O 3.25Å; I246-F254 WeakPolarHBondContact CA-O 3.25Å; N247-F254 PolarHBondContact N-O 2.8Å; N247-F254 PolarHBondContact O-N 2.84Å; Y249-F254 HydrophobicContact CD1-CE2 4.24Å; K252-F254 HydrophobicContact CB-CE2 3.71Å; K252-F254 HydrophobicContact CB-CZ 4.16Å
255A98.9Very high98.8Very high19 Ų1930 Ų3016%0.15714%0.142CC..EExtended strand (participates in β ladder)trans-127.4137.9175.800000111.6F73 E74 I76 T244 V245F73-A255 WeakPolarHBondContact CA-O 3.25Å; E74-A255 PolarHBondContact N-O 2.85Å; E74-A255 PolarHBondContact O-N 3.14Å; I76-A255 HydrophobicContact CD1-CB 4.35Å; I76-A255 HydrophobicContact CG2-CB 3.72Å; T244-A255 HydrophobicContact CG2-CB 3.9Å; V245-A255 CarbonylContact O-C 3.6Å; V245-A255 VanDerWaalsContact O-CA 3.32Å; V245-A255 WeakPolarHBondContact O-CA 3.49Å
256A98.9Very high98.8Very high3 Ų330.3 Ų30.33%0.02514%0.144CC..EExtended strand (participates in β ladder)trans-125.6148.4169.900000109.9K71 F73 T244 V245K71-A256 VanDerWaalsContact O-CB 3.3Å; K71-A256 WeakPolarHBondContact O-CB 3.47Å; F73-A256 HydrophobicContact CD1-CB 3.57Å; F73-A256 HydrophobicContact CD2-CB 4.07Å; F73-A256 HydrophobicContact CE1-CB 3.55Å; F73-A256 HydrophobicContact CE2-CB 4.05Å; F73-A256 HydrophobicContact CG-CB 3.82Å; F73-A256 HydrophobicContact CZ-CB 3.78Å; T244-A256 CarbonylContact C-O 3.56Å; T244-A256 WeakPolarHBondContact CA-O 3.15Å; V245-A256 PolarHBondContact N-O 3.03Å; V245-A256 PolarHBondContact O-N 3.37Å
257K98.8Very high98.8Very high106 Ų10630.1 Ų30.146%0.46114%0.143SC..EExtended strand (participates in β ladder)trans-98.1144.4172.1-70.7-168.2171.3-162.80111.8K71 G241 Y243K71-K257 WeakPolarHBondContact CB-O 3.5Å; K71-K257 HydrophobicContact CD-CB 4.44Å; K71-K257 PolarHBondContact N-O 3.12Å; G241-K257 PolarHBondContact O-NZ 2.83Å; Y243-K257 CarbonylContact O-C 3.5Å; Y243-K257 WeakPolarHBondContact O-CA 3.44Å
258Q98.6Very high98.8Very high10 Ų1029.6 Ų29.65%0.04714%0.14CC..EExtended strand (participates in β ladder)trans-138158.516956.5177.275.100110.3S69 H70 G242 Y243 V245 V260S69-Q258 WeakPolarHBondContact O-CB 3.3Å; H70-Q258 HydrophobicContact CB-CB 4.08Å; G242-Q258 CarbonylContact C-O 3.45Å; G242-Q258 WeakPolarHBondContact CA-O 3.44Å; Y243-Q258 PolarHBondContact N-O 2.76Å; Y243-Q258 PolarHBondContact O-N 2.9Å; V245-Q258 HydrophobicContact CG2-CG 4.03Å; Q258-V260 WeakPolarHBondContact CG-O 3.32Å; Q258-V260 PolarHBondContact NE2-O 2.79Å; Q258-V260 PolarHBondContact O-N 2.8Å
259D98.4Very high98.8Very high104 Ų10430.9 Ų30.956%0.55615%0.146SC*.EExtended strand (participates in β ladder)trans-79.8-18.4-170.8-68.9-12.7000113.8Q238 V239Q238-D259 WeakPolarHBondContact CA-O 3.39Å; Q238-D259 WeakPolarHBondContact CG-O 3.32Å; V239-D259 PolarHBondContact N-O 2.68Å
260V98.6Very high98.8Very high21 Ų2125.7 Ų25.713%0.12713%0.126CC..EExtended strand (participates in β ladder)trans-127.1162.4-175.1-59.40000111.8L65 R237 Q258L65-V260 HydrophobicContact CD1-CG1 4.1Å; L65-V260 HydrophobicContact CD1-CG2 3.86Å; R237-V260 CarbonylContact O-C 3.49Å; R237-V260 WeakPolarHBondContact O-CA 3.33Å; Q258-V260 WeakPolarHBondContact CG-O 3.32Å; Q258-V260 PolarHBondContact NE2-O 2.79Å; Q258-V260 PolarHBondContact O-N 2.8Å
261S98.7Very high98.8Very high1 Ų122.7 Ų22.71%0.00711%0.112CC..  trans-58.7140.6167.7-177.60000112E235 R237 F263E235-S261 WeakPolarHBondContact OE1-CB 3.26Å; E235-S261 PolarHBondContact OE1-OG 3.17Å; R237-S261 PolarHBondContact O-N 2.96Å; S261-F263 PolarHBondContact O-N 2.98Å; S261-F263 WeakPolarHBondContact OG-CD2 3.45Å; S261-F263 PolarHBondContact OG-N 2.83Å
262P98.8Very high98.8Very high0 Ų022.8 Ų22.80%011%0.112CC..SBendtrans-74.3-13.6172.432.6-36.9000112.7R63 C146 Y243 N264R63-P262 PolarHBondContact NH2-O 3.2Å; R63-P262 VanDerWaalsContact NH2-O 3.16Å; C146-P262 HydrophobicContact CB-CG 4.03Å; Y243-P262 HydrophobicContact CD1-CG 4.24Å; Y243-P262 HydrophobicContact CE1-CG 3.6Å; P262-N264 PolarHBondContact O-N 3.09Å; P262-N264 PolarHBondContact O-OD1 3.06Å
263F98.9Very high98.8Very high4 Ų418.9 Ų18.92%0.01810%0.096CC..  trans-8452.8179.9-49.6-53.2000111C146 W233 Y234 E235 Y243 S261C146-F263 HydrophobicContact CB-CZ 3.9Å; W233-F263 HydrophobicContact CZ3-CB 3.98Å; Y234-F263 CarbonylContact C-O 3.59Å; Y234-F263 VanDerWaalsContact CA-O 3.3Å; Y234-F263 WeakPolarHBondContact CA-O 3.19Å; E235-F263 HydrophobicContact CG-CB 4.12Å; E235-F263 PolarHBondContact N-O 2.87Å; Y243-F263 VanDerWaalsContact OH-CE2 3.25Å; Y243-F263 WeakPolarHBondContact OH-CE2 3.14Å; S261-F263 PolarHBondContact O-N 2.98Å; S261-F263 WeakPolarHBondContact OG-CD2 3.45Å; S261-F263 PolarHBondContact OG-N 2.83Å
264N98.9Very high98.8Very high4 Ų418.6 Ų18.62%0.0219%0.094CC..  trans-114.125.3-173.167.6-2.2000112.6R63 I64 L65 P262R63-N264 CarbonylContact C-O 3.6Å; R63-N264 VanDerWaalsContact CA-O 3.29Å; R63-N264 WeakPolarHBondContact CA-O 3.47Å; R63-N264 PolarHBondContact NE-OD1 2.84Å; R63-N264 PolarHBondContact NH2-OD1 3.04Å; I64-N264 HydrophobicContact CB-CB 4.13Å; I64-N264 HydrophobicContact CD1-CB 4.23Å; I64-N264 HydrophobicContact CG1-CB 4.35Å; I64-N264 PolarHBondContact N-O 3.25Å; L65-N264 PolarHBondContact N-ND2 2.72Å; L65-N264 PolarHBondContact O-ND2 2.99Å; P262-N264 PolarHBondContact O-N 3.09Å; P262-N264 PolarHBondContact O-OD1 3.06Å
265V98.9Very high98.8Very high0 Ų016.6 Ų16.60%09%0.085CC..EExtended strand (participates in β ladder)trans-88.1109.8177.3-1790000109.1L61 R63 E168 Y234 A267 W268L61-V265 HydrophobicContact CB-CG1 4.03Å; L61-V265 HydrophobicContact CB-CG2 4.26Å; L61-V265 HydrophobicContact CD1-CG2 4.35Å; L61-V265 HydrophobicContact CD2-CG1 4.24Å; R63-V265 HydrophobicContact CB-CG2 4.06Å; E168-V265 HydrophobicContact CB-CG2 4.06Å; E168-V265 WeakPolarHBondContact O-CB 3.47Å; E168-V265 WeakPolarHBondContact O-CG2 3.45Å; Y234-V265 WeakPolarHBondContact CB-O 3.17Å; V265-A267 WeakPolarHBondContact CG1-O 3.35Å; V265-W268 HydrophobicContact CG1-CB 4.15Å
266V98.9Very high98.8Very high5 Ų516.2 Ų16.23%0.038%0.08CC..EExtended strand (participates in β ladder)trans-79.7-36.2-177179.20000111D18 C21 L39 Y62 I64 Y234D18-V266 HydrophobicContact CB-CG1 4.39Å; D18-V266 VanDerWaalsContact CB-O 3.29Å; D18-V266 WeakPolarHBondContact CB-O 3.36Å; D18-V266 PolarHBondContact N-O 3.39Å; C21-V266 HydrophobicContact CB-CG1 3.52Å; L39-V266 HydrophobicContact CD1-CB 3.85Å; L39-V266 HydrophobicContact CD1-CG1 4.26Å; L39-V266 HydrophobicContact CD1-CG2 4.3Å; L39-V266 HydrophobicContact CD2-CB 4.2Å; L39-V266 HydrophobicContact CD2-CG2 3.72Å; Y62-V266 PolarHBondContact O-N 3.37Å; I64-V266 HydrophobicContact CD1-CG2 4.35Å; I64-V266 HydrophobicContact CG1-CG2 3.98Å; Y234-V266 HydrophobicContact CD1-CB 4.38Å; Y234-V266 HydrophobicContact CD1-CG1 4.33Å; Y234-V266 HydrophobicContact CD1-CG2 3.97Å; Y234-V266 HydrophobicContact CD2-CG2 4.17Å; Y234-V266 HydrophobicContact CE1-CG1 4.39Å; Y234-V266 HydrophobicContact CE1-CG2 4.32Å; Y234-V266 HydrophobicContact CE2-CG2 4.48Å; Y234-V266 HydrophobicContact CG-CG2 3.9Å
267A98.9Very high98.8Very high0 Ų016.1 Ų16.10%08%0.079CC..EExtended strand (participates in β ladder)trans-145.6156.4175.600000111.2S16 E17 S24 L25 Y62 V265S16-A267 CarbonylContact O-C 3.53Å; S16-A267 VanDerWaalsContact O-CA 3.3Å; S16-A267 WeakPolarHBondContact O-CA 3.24Å; E17-A267 HydrophobicContact CB-CB 4.37Å; E17-A267 HydrophobicContact CG-CB 3.95Å; S24-A267 WeakPolarHBondContact OG-CB 3.47Å; L25-A267 HydrophobicContact CD2-CB 3.71Å; L25-A267 HydrophobicContact CG-CB 3.96Å; Y62-A267 HydrophobicContact CD2-CB 4.48Å; Y62-A267 PolarHBondContact N-O 3.14Å; Y62-A267 PolarHBondContact O-N 2.67Å; V265-A267 WeakPolarHBondContact CG1-O 3.35Å
268W98.9Very high98.8Very high0 Ų012.2 Ų12.20%06%0.063CC..EExtended strand (participates in β ladder)trans-151.6153.1174.961.6-98.9000111.1I7 C14 S16 W60 L61 F169 I229 P230 V265 T273I7-W268 HydrophobicContact CD1-CH2 4.32Å; I7-W268 HydrophobicContact CD1-CZ2 4.4Å; C14-W268 HydrophobicContact CB-CH2 3.5Å; C14-W268 VanDerWaalsContact CB-CH2 3.5Å; C14-W268 HydrophobicContact CB-CZ3 3.54Å; S16-W268 PolarHBondContact N-O 3.2Å; S16-W268 PolarHBondContact O-N 3.33Å; W60-W268 CarbonylContact O-C 3.6Å; W60-W268 WeakPolarHBondContact O-CA 3.4Å; W60-W268 VanDerWaalsContact O-CB 3.28Å; W60-W268 WeakPolarHBondContact O-CB 3.11Å; L61-W268 HydrophobicContact CD2-CB 3.83Å; F169-W268 HydrophobicContact CB-CZ2 4.49Å; F169-W268 AromaticContact CD1-CD2 3.54Å; F169-W268 HydrophobicContact CD1-CD2 3.54Å; F169-W268 AromaticContact CD1-CE2 3.73Å; F169-W268 AromaticContact CD1-CE3 3.82Å; F169-W268 HydrophobicContact CD1-CE3 3.82Å; F169-W268 AromaticContact CD1-CG 3.83Å; F169-W268 HydrophobicContact CD1-CG 3.83Å; F169-W268 HydrophobicContact CD1-CH2 4.49Å; F169-W268 HydrophobicContact CD1-CZ2 4.23Å; F169-W268 HydrophobicContact CD1-CZ3 4.28Å; F169-W268 HydrophobicContact CE1-CD2 4.14Å; F169-W268 HydrophobicContact CE1-CE3 4.08Å; F169-W268 HydrophobicContact CE1-CG 4.35Å; F169-W268 PolarHBondContact O-NE1 2.94Å; I229-W268 HydrophobicContact CG2-CH2 3.76Å; I229-W268 HydrophobicContact CG2-CZ2 4.02Å; P230-W268 WeakPolarHBondContact O-CZ2 3.49Å; V265-W268 HydrophobicContact CG1-CB 4.15Å; W268-T273 HydrophobicContact CE3-CG2 4.27Å; W268-T273 HydrophobicContact CH2-CG2 3.7Å; W268-T273 HydrophobicContact CZ3-CG2 3.49Å; W268-T273 VanDerWaalsContact CZ3-CG2 3.49Å
269H98.9Very high98.9Very high32 Ų3211.8 Ų11.815%0.1486%0.062CC..EExtended strand (participates in β ladder)trans-138.9147.5164.973.487.8000110.6C14 A15 L25 N30 S59 W60 Y62C14-H269 CarbonylContact O-C 3.49Å; C14-H269 WeakPolarHBondContact O-CA 3.25Å; C14-H269 WeakPolarHBondContact O-CB 3.31Å; A15-H269 HydrophobicContact CB-CB 4.06Å; L25-H269 HydrophobicContact CD1-CB 4.45Å; L25-H269 HydrophobicContact CD2-CB 4.41Å; N30-H269 PolarHBondContact OD1-CE1 2.84Å; N30-H269 VanDerWaalsContact OD1-CE1 3.29Å; N30-H269 PolarHBondContact OD1-NE2 3.19Å; S59-H269 CarbonylContact C-O 3.58Å; S59-H269 WeakPolarHBondContact CA-O 3.42Å; W60-H269 WeakPolarHBondContact CB-NE2 3.29Å; W60-H269 AromaticContact CD1-CE1 3.61Å; W60-H269 AromaticContact CD1-NE2 3.95Å; W60-H269 AromaticContact CG-CE1 3.92Å; W60-H269 AromaticContact CG-NE2 3.8Å; W60-H269 PolarHBondContact N-O 2.83Å; W60-H269 PolarHBondContact O-N 2.8Å; Y62-H269 AromaticContact CE2-CD2 3.77Å; Y62-H269 PolarHBondContact OH-NE2 2.82Å
270G98.9Very high98.9Very high0 Ų013.9 Ų13.90%07%0.065CC..EExtended strand (participates in β ladder)trans156.5-177.7-177.800000114.7E13 C14 R58E13-G270 WeakPolarHBondContact OE2-CA 3.37Å; C14-G270 PolarHBondContact N-O 3.33Å; C14-G270 PolarHBondContact O-N 3.33Å; R58-G270 WeakPolarHBondContact O-CA 3.47Å
271N98.9Very high98.9Very high19 Ų1915.8 Ų15.810%0.1028%0.075CC..SBendtrans-120.810.8177.570.8-11.4000113.2N12 E13 N56 K57 R58N12-N271 VanDerWaalsContact O-CA 3.23Å; N12-N271 WeakPolarHBondContact O-CA 3.11Å; N12-N271 VanDerWaalsContact O-CB 3.27Å; N12-N271 WeakPolarHBondContact O-CB 3.46Å; E13-N271 HydrophobicContact CG-CB 4.21Å; E13-N271 PolarHBondContact OE2-N 3.43Å; N56-N271 PolarHBondContact O-ND2 3.24Å; K57-N271 WeakPolarHBondContact CA-OD1 3.36Å; R58-N271 PolarHBondContact N-OD1 2.99Å; R58-N271 PolarHBondContact O-N 3.47Å; R58-N271 PolarHBondContact O-OD1 2.74Å; R58-N271 VanDerWaalsContact O-OD1 3.1Å
272Y98.9Very high98.9Very high2 Ų216.3 Ų16.31%0.0088%0.077CC..  trans-114.688.1175.5-170.9-122.5000109.2L44 K57 S59 F169 Q183 R184 M186 H207L44-Y272 HydrophobicContact CD1-CE1 4.45Å; L44-Y272 HydrophobicContact CD2-CD1 3.72Å; L44-Y272 HydrophobicContact CD2-CE1 3.73Å; L44-Y272 HydrophobicContact CG-CD1 3.78Å; L44-Y272 HydrophobicContact CG-CE1 3.81Å; K57-Y272 HydrophobicContact CB-CD2 3.73Å; K57-Y272 HydrophobicContact CB-CE2 4.47Å; K57-Y272 HydrophobicContact CB-CG 4.18Å; K57-Y272 HydrophobicContact CG-CD2 4.46Å; S59-Y272 VanDerWaalsContact OG-C 3.29Å; S59-Y272 PolarHBondContact OG-N 3.08Å; S59-Y272 PolarHBondContact OG-O 3.07Å; F169-Y272 WeakPolarHBondContact CE1-O 3.49Å; F169-Y272 WeakPolarHBondContact CZ-O 3.37Å; Q183-Y272 HydrophobicContact CB-CD2 4.26Å; Q183-Y272 HydrophobicContact CB-CE1 4.43Å; Q183-Y272 HydrophobicContact CB-CE2 3.37Å; Q183-Y272 VanDerWaalsContact CB-CZ 3.47Å; Q183-Y272 VanDerWaalsContact CB-OH 3.31Å; Q183-Y272 WeakPolarHBondContact CB-OH 3.31Å; Q183-Y272 VanDerWaalsContact CD-CD2 3.49Å; Q183-Y272 HydrophobicContact CG-CD2 4.49Å; Q183-Y272 HydrophobicContact CG-CE2 3.94Å; R184-Y272 PolarHBondContact N-OH 2.78Å; R184-Y272 PolarHBondContact O-OH 3.32Å; M186-Y272 HydrophobicContact CE-CD1 3.46Å; M186-Y272 VanDerWaalsContact CE-CD1 3.46Å; M186-Y272 HydrophobicContact CE-CD2 4.12Å; M186-Y272 HydrophobicContact CE-CE1 3.57Å; M186-Y272 HydrophobicContact CE-CE2 4.23Å; M186-Y272 HydrophobicContact CE-CG 3.75Å; M186-Y272 WeakPolarHBondContact CE-O 3.5Å; H207-Y272 AromaticContact CE1-CE2 3.53Å; H207-Y272 AromaticContact ND1-CE2 3.98Å
273T98.9Very high98.9Very high6 Ų620.8 Ų20.84%0.03710%0.099CC..  trans-131.4157.7-171.667.40000110.8F169 Q183 I229 W268F169-T273 HydrophobicContact CD1-CG2 4Å; F169-T273 HydrophobicContact CE1-CG2 4.04Å; Q183-T273 PolarHBondContact NE2-O 2.79Å; I229-T273 WeakPolarHBondContact CD1-OG1 3.06Å; I229-T273 HydrophobicContact CG2-CG2 4.06Å; W268-T273 HydrophobicContact CE3-CG2 4.27Å; W268-T273 HydrophobicContact CH2-CG2 3.7Å; W268-T273 HydrophobicContact CZ3-CG2 3.49Å; W268-T273 VanDerWaalsContact CZ3-CG2 3.49Å
274P98.9Very high98.9Very high0 Ų022.5 Ų22.50%011%0.11CC..  trans-69.6156.3162.433.1-35.2000109.5T167 F169 M172 V181 M186 P230T167-P274 HydrophobicContact CG2-CB 4.17Å; T167-P274 HydrophobicContact CG2-CG 3.96Å; F169-P274 HydrophobicContact CB-CG 3.9Å; F169-P274 HydrophobicContact CD2-CG 4.05Å; F169-P274 VanDerWaalsContact CG-CD 3.43Å; F169-P274 HydrophobicContact CG-CG 4.15Å; M172-P274 HydrophobicContact CE-CB 3.74Å; M172-P274 HydrophobicContact CE-CG 4.45Å; M172-P274 HydrophobicContact SD-CB 4.44Å; V181-P274 WeakPolarHBondContact O-CA 3.33Å; M186-P274 HydrophobicContact SD-CB 4.3Å; M186-P274 HydrophobicContact SD-CG 4.46Å; P230-P274 WeakPolarHBondContact CD-O 3.42Å; P230-P274 HydrophobicContact CG-CG 3.9Å
275Y98.9Very high98.9Very high13 Ų1324.6 Ų24.65%0.05112%0.121CC..EExtended strand (participates in β ladder)trans-151.1159177.455.5-95.6000112.2F10 C180 V181 F227 L228 L301F10-Y275 HydrophobicContact CD2-CE2 4.44Å; F10-Y275 HydrophobicContact CE2-CE1 4.16Å; F10-Y275 HydrophobicContact CE2-CE2 4Å; F10-Y275 AromaticContact CE2-CZ 3.67Å; C180-Y275 CarbonylContact C-O 3.49Å; C180-Y275 WeakPolarHBondContact CA-O 3.32Å; C180-Y275 VanDerWaalsContact CB-O 3.26Å; C180-Y275 WeakPolarHBondContact CB-O 3.39Å; V181-Y275 HydrophobicContact CB-CD1 4.31Å; V181-Y275 HydrophobicContact CB-CD2 4.04Å; V181-Y275 HydrophobicContact CB-CE1 3.8Å; V181-Y275 HydrophobicContact CB-CE2 3.5Å; V181-Y275 VanDerWaalsContact CB-CE2 3.5Å; V181-Y275 HydrophobicContact CB-CG 4.43Å; V181-Y275 HydrophobicContact CG1-CE1 3.95Å; V181-Y275 HydrophobicContact CG1-CE2 4.37Å; V181-Y275 HydrophobicContact CG2-CD2 4.23Å; V181-Y275 HydrophobicContact CG2-CE1 4.45Å; V181-Y275 HydrophobicContact CG2-CE2 3.4Å; V181-Y275 WeakPolarHBondContact CG2-OH 3.31Å; V181-Y275 PolarHBondContact N-O 2.83Å; V181-Y275 PolarHBondContact O-N 2.94Å; V181-Y275 VanDerWaalsContact O-N 3.14Å; F227-Y275 AromaticContact CD1-CD2 3.73Å; F227-Y275 HydrophobicContact CD1-CD2 3.73Å; F227-Y275 AromaticContact CD1-CE2 3.94Å; F227-Y275 HydrophobicContact CD1-CE2 3.94Å; F227-Y275 HydrophobicContact CE1-CD2 4.31Å; F227-Y275 HydrophobicContact CE1-CE2 4.1Å; L228-Y275 CarbonylContact O-C 3.53Å; L228-Y275 VanDerWaalsContact O-CA 3.23Å; L228-Y275 WeakPolarHBondContact O-CA 3.3Å; Y275-L301 HydrophobicContact CE2-CD1 4.19Å
276K98.9Very high98.9Very high11 Ų1126.6 Ų26.65%0.04813%0.131CC..EExtended strand (participates in β ladder)trans-126156.2171.367169.1-65.4-162.60111.6Y6 M172 L173 V174 E178 I179 C180 L228Y6-K276 HydrophobicContact CE1-CD 4.06Å; M172-K276 HydrophobicContact CB-CD 4.5Å; M172-K276 HydrophobicContact SD-CB 4.15Å; M172-K276 HydrophobicContact SD-CG 4.3Å; L173-K276 VanDerWaalsContact O-CE 3.31Å; L173-K276 WeakPolarHBondContact O-CE 3.24Å; L173-K276 PolarHBondContact O-NZ 2.83Å; V174-K276 HydrophobicContact CG2-CB 4.38Å; E178-K276 WeakPolarHBondContact OE1-CE 3.09Å; E178-K276 IonicContact OE1-NZ 3.5Å; E178-K276 PolarHBondContact OE1-NZ 2.86Å; E178-K276 WeakPolarHBondContact OE2-CE 3.48Å; E178-K276 IonicContact OE2-NZ 2.81Å; E178-K276 PolarHBondContact OE2-NZ 3.33Å; I179-K276 CarbonylContact O-C 3.57Å; I179-K276 WeakPolarHBondContact O-CA 3.48Å; I179-K276 WeakPolarHBondContact O-CB 3.47Å; C180-K276 HydrophobicContact CB-CB 3.95Å; L228-K276 HydrophobicContact CB-CG 3.95Å; L228-K276 PolarHBondContact N-O 3.09Å; L228-K276 PolarHBondContact O-N 2.64Å
277Y98.9Very high98.8Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-142.6138.3178.6174.9-98.6000110.3E178 I179 A222 D226 F227 L279 F282 V300E178-Y277 CarbonylContact C-O 3.46Å; E178-Y277 VanDerWaalsContact CA-O 3.24Å; E178-Y277 WeakPolarHBondContact CA-O 3.3Å; I179-Y277 HydrophobicContact CD1-CD1 4.47Å; I179-Y277 HydrophobicContact CG1-CD1 4.26Å; I179-Y277 PolarHBondContact N-O 2.67Å; I179-Y277 PolarHBondContact O-N 3.29Å; A222-Y277 HydrophobicContact CB-CE1 4.34Å; A222-Y277 HydrophobicContact CB-CE2 4.14Å; D226-Y277 HydrophobicContact CB-CD2 4.11Å; D226-Y277 HydrophobicContact CB-CE2 3.74Å; D226-Y277 WeakPolarHBondContact O-CD2 3.3Å; F227-Y277 HydrophobicContact CD1-CD2 4.18Å; F227-Y277 HydrophobicContact CD1-CG 4.3Å; F227-Y277 AromaticContact CD2-CD2 3.8Å; F227-Y277 HydrophobicContact CD2-CD2 3.8Å; F227-Y277 HydrophobicContact CD2-CE2 4.28Å; F227-Y277 HydrophobicContact CE1-CD2 4.1Å; F227-Y277 HydrophobicContact CE1-CG 4.02Å; F227-Y277 AromaticContact CE2-CD2 3.68Å; F227-Y277 HydrophobicContact CE2-CD2 3.68Å; F227-Y277 AromaticContact CE2-CE2 3.94Å; F227-Y277 HydrophobicContact CE2-CE2 3.94Å; F227-Y277 HydrophobicContact CE2-CG 4.36Å; F227-Y277 HydrophobicContact CG-CD2 4.05Å; F227-Y277 AromaticContact CZ-CD2 3.85Å; F227-Y277 HydrophobicContact CZ-CD2 3.85Å; F227-Y277 HydrophobicContact CZ-CE2 4.31Å; F227-Y277 HydrophobicContact CZ-CG 4.06Å; Y277-L279 HydrophobicContact CD1-CD2 3.93Å; Y277-L279 HydrophobicContact CE1-CD2 4.01Å; Y277-F282 WeakPolarHBondContact OH-CA 3.4Å; Y277-F282 PolarHBondContact OH-N 2.69Å; Y277-F282 VanDerWaalsContact OH-N 3.12Å; Y277-V300 HydrophobicContact CD1-CG1 4.14Å; Y277-V300 HydrophobicContact CE1-CG1 4.05Å
278N98.9Very high98.8Very high25 Ų2533.8 Ų33.813%0.13418%0.176CC..EExtended strand (participates in β ladder)trans-95.6116.9178-165.5-41.7000110.2N177 E178 K280 N281N177-N278 PolarHBondContact O-OD1 2.81Å; E178-N278 HydrophobicContact CG-CB 4.11Å; E178-N278 PolarHBondContact OE1-ND2 3.4Å; E178-N278 VanDerWaalsContact OE1-ND2 3.16Å; N278-K280 HydrophobicContact CB-CG 4.49Å; N278-K280 PolarHBondContact O-N 3.34Å; N278-K280 VanDerWaalsContact O-N 3.08Å; N278-K280 WeakPolarHBondContact OD1-CB 3.16Å; N278-K280 WeakPolarHBondContact OD1-CD 3.44Å; N278-K280 WeakPolarHBondContact OD1-CG 3.2Å; N278-K280 PolarHBondContact OD1-N 2.69Å; N278-K280 VanDerWaalsContact OD1-N 3.13Å; N278-N281 WeakPolarHBondContact O-CB 3.49Å; N278-N281 PolarHBondContact O-N 2.91Å
279L98.9Very high98.8Very high1 Ų136.3 Ų36.31%0.00520%0.197CC..G310 helixtrans-62.9-21.6-174.5-59.5179.9000112.8N177 I179 Y277 N281 F282 F315 I317 I346 M396N177-L279 WeakPolarHBondContact O-CB 3.41Å; N177-L279 WeakPolarHBondContact O-CG 3.46Å; N177-L279 PolarHBondContact O-N 3.26Å; I179-L279 HydrophobicContact CG1-CD2 4.33Å; I179-L279 HydrophobicContact CG2-CD1 4.21Å; I179-L279 HydrophobicContact CG2-CD2 4.01Å; I179-L279 HydrophobicContact CG2-CG 4.26Å; Y277-L279 HydrophobicContact CD1-CD2 3.93Å; Y277-L279 HydrophobicContact CE1-CD2 4.01Å; L279-N281 PolarHBondContact O-N 2.98Å; L279-F282 WeakPolarHBondContact O-CB 3.38Å; L279-F282 PolarHBondContact O-N 2.99Å; L279-F315 HydrophobicContact CD2-CE1 4.06Å; L279-F315 HydrophobicContact CD2-CZ 4.3Å; L279-I317 HydrophobicContact CD1-CG2 4.24Å; L279-I317 HydrophobicContact CD2-CD1 4.44Å; L279-I317 HydrophobicContact CD2-CG2 4.11Å; L279-I346 HydrophobicContact CD1-CD1 3.68Å; L279-M396 HydrophobicContact CB-CE 3.96Å; L279-M396 HydrophobicContact CB-SD 4.39Å; L279-M396 HydrophobicContact CD1-CG 3.93Å; L279-M396 HydrophobicContact CD1-SD 4.25Å
280K98.7Very high98.8Very high147 Ų14741.2 Ų41.264%0.63922%0.218SC*.G310 helixtrans-63.4-21.717586-168.8175.9173.70113.5N278 F282N278-K280 HydrophobicContact CB-CG 4.49Å; N278-K280 PolarHBondContact O-N 3.34Å; N278-K280 VanDerWaalsContact O-N 3.08Å; N278-K280 WeakPolarHBondContact OD1-CB 3.16Å; N278-K280 WeakPolarHBondContact OD1-CD 3.44Å; N278-K280 WeakPolarHBondContact OD1-CG 3.2Å; N278-K280 PolarHBondContact OD1-N 2.69Å; N278-K280 VanDerWaalsContact OD1-N 3.13Å; K280-F282 VanDerWaalsContact C-N 3.31Å
281N98.8Very high98.8Very high61 Ų6146 Ų4633%0.32624%0.243SC..G310 helixtrans-87.7-2.4-177.6-65.2-13000112.4D226 N278 L279 M283D226-N281 HydrophobicContact CB-CB 4.16Å; N278-N281 WeakPolarHBondContact O-CB 3.49Å; N278-N281 PolarHBondContact O-N 2.91Å; L279-N281 PolarHBondContact O-N 2.98Å; N281-M283 PolarHBondContact O-N 3.15Å
282F98.9Very high98.7Very high12 Ų1246.8 Ų46.85%0.05325%0.247CC..  trans-63.5120.8179.2-169.5-94.7000110.6L221 A222 Y277 L279 K280 V284 F298 T299 V300 I317 P319L221-F282 VanDerWaalsContact C-CD2 3.46Å; L221-F282 VanDerWaalsContact C-CE2 3.49Å; L221-F282 HydrophobicContact CB-CE2 3.67Å; L221-F282 HydrophobicContact CB-CZ 3.7Å; L221-F282 HydrophobicContact CD2-CE1 4.14Å; L221-F282 HydrophobicContact CD2-CZ 3.73Å; L221-F282 HydrophobicContact CG-CZ 4.25Å; A222-F282 HydrophobicContact CB-CD2 4.03Å; A222-F282 HydrophobicContact CB-CE2 4.22Å; Y277-F282 WeakPolarHBondContact OH-CA 3.4Å; Y277-F282 PolarHBondContact OH-N 2.69Å; Y277-F282 VanDerWaalsContact OH-N 3.12Å; L279-F282 WeakPolarHBondContact O-CB 3.38Å; L279-F282 PolarHBondContact O-N 2.99Å; K280-F282 VanDerWaalsContact C-N 3.31Å; F282-V284 HydrophobicContact CD1-CG2 4Å; F282-V284 PolarHBondContact O-N 2.92Å; F282-V284 VanDerWaalsContact O-N 3.12Å; F282-F298 HydrophobicContact CE1-CD1 4.46Å; F282-T299 WeakPolarHBondContact CE2-O 3.45Å; F282-V300 HydrophobicContact CD2-CG2 3.87Å; F282-V300 HydrophobicContact CE2-CB 4.42Å; F282-V300 HydrophobicContact CE2-CG2 3.75Å; F282-I317 HydrophobicContact CB-CD1 3.78Å; F282-I317 HydrophobicContact CD1-CD1 3.96Å; F282-I317 HydrophobicContact CD1-CG1 4.48Å; F282-I317 HydrophobicContact CD2-CD1 3.99Å; F282-I317 HydrophobicContact CG-CD1 3.65Å; F282-I317 HydrophobicContact CG-CG1 4.47Å; F282-P319 HydrophobicContact CD1-CG 4.33Å
283M98.8Very high98.7Very high94 Ų9447.9 Ų47.946%0.46326%0.256SS..BIsolated β-bridgetrans-81.294.2176.7-166.9-74.8165.800108.1L221 N281 I285L221-M283 WeakPolarHBondContact CA-O 3.39Å; L221-M283 PolarHBondContact N-O 2.89Å; L221-M283 PolarHBondContact O-N 3.28Å; N281-M283 PolarHBondContact O-N 3.15Å; M283-I285 HydrophobicContact CE-CD1 3.87Å; M283-I285 PolarHBondContact O-N 3.26Å; M283-I285 HydrophobicContact SD-CD1 3.39Å; M283-I285 WeakPolarHBondContact SD-CD1 3.48Å; M283-I285 HydrophobicContact SD-CG1 4.06Å
284V98.8Very high98.7Very high41 Ų4152.4 Ų52.425%0.24828%0.28CS..  trans-65.6125.8-175.1-169.90000110.6F282 F298 P319 R321F282-V284 HydrophobicContact CD1-CG2 4Å; F282-V284 PolarHBondContact O-N 2.92Å; F282-V284 VanDerWaalsContact O-N 3.12Å; V284-F298 HydrophobicContact CG1-CD1 4.1Å; V284-F298 HydrophobicContact CG1-CE1 3.61Å; V284-P319 HydrophobicContact CG1-CG 4.33Å; V284-P319 HydrophobicContact CG2-CB 4.25Å; V284-P319 HydrophobicContact CG2-CG 3.51Å; V284-R321 HydrophobicContact CG1-CB 3.94Å
285I98.8Very high98.7Very high48 Ų4853.8 Ų53.825%0.24629%0.289CS..  trans-107.9138.9169.5-57.7-65.7000108.7I216 L221 M283 I297 F298I216-I285 HydrophobicContact CD1-CG1 4.42Å; I216-I285 HydrophobicContact CG2-CG1 4.25Å; L221-I285 HydrophobicContact CD2-CB 4.2Å; L221-I285 HydrophobicContact CD2-CG1 3.93Å; M283-I285 HydrophobicContact CE-CD1 3.87Å; M283-I285 PolarHBondContact O-N 3.26Å; M283-I285 HydrophobicContact SD-CD1 3.39Å; M283-I285 WeakPolarHBondContact SD-CD1 3.48Å; M283-I285 HydrophobicContact SD-CG1 4.06Å; I285-I297 HydrophobicContact CB-CD1 4.28Å; I285-I297 HydrophobicContact CB-CG1 4.2Å; I285-I297 HydrophobicContact CG2-CD1 3.77Å; I285-I297 HydrophobicContact CG2-CG1 4.16Å; I285-F298 WeakPolarHBondContact O-CE1 3.38Å
286N98.6Very high98.7Very high41 Ų4156.3 Ų56.322%0.21931%0.308CS..  trans-161.4-173.6176.6-148.2-107.9000112.6F298N286-F298 WeakPolarHBondContact ND2-CZ 3.38Å
287S98.3Very high98.7Very high24 Ų2457.5 Ų57.517%0.16832%0.315CS..  trans-67.7133.5175.858.70000111.2F290 D291 V324S287-F290 VanDerWaalsContact CB-O 3.31Å; S287-F290 WeakPolarHBondContact CB-O 3.34Å; S287-D291 WeakPolarHBondContact CB-O 3.45Å; S287-D291 PolarHBondContact OG-O 3.28Å; S287-V324 WeakPolarHBondContact O-CG2 3.38Å
288V98.6Very high98.7Very high132 Ų13257.6 Ų57.680%0.832%0.315SS*.SBendtrans-115.816.2176.2-630000112.2
289A98.6Very high98.7Very high53 Ų5356.8 Ų56.844%0.43831%0.311SS..SBendtrans-140.3-74.4-179.200000111A325 D326A289-A325 WeakPolarHBondContact O-CA 3.39Å; A289-D326 PolarHBondContact O-N 3.39Å
290F98.3Very high98.7Very high135 Ų13556.7 Ų56.759%0.59231%0.311SS*.SBendtrans-150.5175.7-178.660.1-93.4000110.4S287S287-F290 VanDerWaalsContact CB-O 3.31Å; S287-F290 WeakPolarHBondContact CB-O 3.34Å
291D98.6Very high98.7Very high100 Ų10049.7 Ų49.754%0.53528%0.281SS..SBendtrans62168.9-176.8-71-5.6000115S287 T328S287-D291 WeakPolarHBondContact CB-O 3.45Å; S287-D291 PolarHBondContact OG-O 3.28Å; D291-T328 PolarHBondContact N-OG1 3.41Å
292H98.5Very high98.7Very high37 Ų3748 Ų4817%0.17127%0.272CS..  trans-104.9115.8176.7-178.6-77.5000108.8R330 Y333H292-R330 PolarHBondContact CD2-O 3.07Å; H292-Y333 HydrophobicContact CB-CD1 4.36Å; H292-Y333 AromaticContact ND1-CD1 3.85Å; H292-Y333 AromaticContact ND1-CE1 3.68Å
293A98.5Very high98.7Very high25 Ų2547.4 Ų47.421%0.20727%0.27CS..  trans-65.3150.2179.200000112I297A293-I297 HydrophobicContact CB-CD1 4.13Å; A293-I297 HydrophobicContact CB-CG2 4.2Å
294D98.6Very high98.7Very high101 Ų10148.2 Ų48.254%0.5427%0.271SS..  trans-58.3141.9173.8-61-41.4000110.7S296 I297 Y333D294-S296 PolarHBondContact O-N 3.4Å; D294-S296 VanDerWaalsContact O-N 3.13Å; D294-I297 WeakPolarHBondContact O-CB 3.21Å; D294-I297 WeakPolarHBondContact O-CG2 3.37Å; D294-I297 PolarHBondContact O-N 3.23Å; D294-I297 VanDerWaalsContact O-N 3.14Å; D294-Y333 PolarHBondContact OD1-OH 3.15Å
295P98.4Very high98.7Very high28 Ų2847.5 Ų47.518%0.18227%0.267CS..G310 helixtrans-66.4-16.7-174.226.7-35000113.9I297 F298 V316 F318P295-I297 PolarHBondContact O-N 2.96Å; P295-I297 VanDerWaalsContact O-N 3.09Å; P295-F298 PolarHBondContact O-N 2.94Å; P295-V316 VanDerWaalsContact O-CG1 3.24Å; P295-V316 WeakPolarHBondContact O-CG1 3.45Å; P295-F318 HydrophobicContact CB-CE1 4.18Å; P295-F318 HydrophobicContact CB-CZ 4.35Å
296S98.6Very high98.6Very high66 Ų6651.4 Ų51.446%0.46229%0.293SS..G310 helixtrans-57.7-21.8172.9600000112.8D294 F298 T299D294-S296 PolarHBondContact O-N 3.4Å; D294-S296 VanDerWaalsContact O-N 3.13Å; S296-F298 PolarHBondContact O-N 3.11Å; S296-F298 VanDerWaalsContact O-N 3.11Å; S296-T299 WeakPolarHBondContact O-CB 3.41Å; S296-T299 PolarHBondContact O-N 3.15Å; S296-T299 VanDerWaalsContact O-N 3.08Å; S296-T299 PolarHBondContact O-OG1 3.3Å
297I98.8Very high98.6Very high37 Ų3757.8 Ų57.819%0.1931%0.314CS..G310 helixtrans-62.5-13.9172.1-152.3167.4000113.3L221 I285 A293 D294 P295L221-I297 WeakPolarHBondContact CD2-O 3.43Å; I285-I297 HydrophobicContact CB-CD1 4.28Å; I285-I297 HydrophobicContact CB-CG1 4.2Å; I285-I297 HydrophobicContact CG2-CD1 3.77Å; I285-I297 HydrophobicContact CG2-CG1 4.16Å; A293-I297 HydrophobicContact CB-CD1 4.13Å; A293-I297 HydrophobicContact CB-CG2 4.2Å; D294-I297 WeakPolarHBondContact O-CB 3.21Å; D294-I297 WeakPolarHBondContact O-CG2 3.37Å; D294-I297 PolarHBondContact O-N 3.23Å; D294-I297 VanDerWaalsContact O-N 3.14Å; P295-I297 PolarHBondContact O-N 2.96Å; P295-I297 VanDerWaalsContact O-N 3.09Å
298F98.8Very high98.6Very high1 Ų162.5 Ų62.50%0.00434%0.344CS..G310 helixtrans-105.617.9176.1-50.6-55.5000113.9F282 V284 I285 N286 P295 S296 V300 V316 I317 F318F282-F298 HydrophobicContact CE1-CD1 4.46Å; V284-F298 HydrophobicContact CG1-CD1 4.1Å; V284-F298 HydrophobicContact CG1-CE1 3.61Å; I285-F298 WeakPolarHBondContact O-CE1 3.38Å; N286-F298 WeakPolarHBondContact ND2-CZ 3.38Å; P295-F298 PolarHBondContact O-N 2.94Å; S296-F298 PolarHBondContact O-N 3.11Å; S296-F298 VanDerWaalsContact O-N 3.11Å; F298-V300 PolarHBondContact O-N 3.08Å; F298-V316 HydrophobicContact CB-CG1 3.77Å; F298-I317 WeakPolarHBondContact CB-O 3.34Å; F298-I317 WeakPolarHBondContact CG-O 3.1Å; F298-I317 PolarHBondContact O-N 3.2Å; F298-I317 VanDerWaalsContact O-N 3.12Å; F298-F318 HydrophobicContact CD2-CD1 4.15Å; F298-F318 HydrophobicContact CD2-CE1 4.27Å; F298-F318 HydrophobicContact CE2-CD1 4.34Å
299T98.9Very high98.2Very high8 Ų860.6 Ų60.65%0.04935%0.351CS..EExtended strand (participates in β ladder)trans-62.3126.2175.3-57.90000110.9P211 F282 S296 D314P211-T299 HydrophobicContact CB-CG2 3.99Å; P211-T299 HydrophobicContact CG-CG2 3.94Å; F282-T299 WeakPolarHBondContact CE2-O 3.45Å; S296-T299 WeakPolarHBondContact O-CB 3.41Å; S296-T299 PolarHBondContact O-N 3.15Å; S296-T299 VanDerWaalsContact O-N 3.08Å; S296-T299 PolarHBondContact O-OG1 3.3Å; T299-D314 HydrophobicContact CG2-CB 4.43Å
300V98.9Very high98.2Very high0 Ų060.2 Ų60.20%034%0.343CS..EExtended strand (participates in β ladder)trans-95.1-49.7173.8-178.90000110.2I179 A222 Y277 F282 F298 F315 I317I179-V300 HydrophobicContact CD1-CG1 4.36Å; A222-V300 HydrophobicContact CB-CG1 3.95Å; Y277-V300 HydrophobicContact CD1-CG1 4.14Å; Y277-V300 HydrophobicContact CE1-CG1 4.05Å; F282-V300 HydrophobicContact CD2-CG2 3.87Å; F282-V300 HydrophobicContact CE2-CB 4.42Å; F282-V300 HydrophobicContact CE2-CG2 3.75Å; F298-V300 PolarHBondContact O-N 3.08Å; V300-F315 HydrophobicContact CB-CD1 3.71Å; V300-F315 HydrophobicContact CB-CE1 3.97Å; V300-F315 HydrophobicContact CG1-CD1 4.11Å; V300-F315 HydrophobicContact CG1-CE1 4.13Å; V300-F315 HydrophobicContact CG2-CD1 4.22Å; V300-F315 HydrophobicContact CG2-CE1 4.08Å; V300-F315 PolarHBondContact N-O 2.87Å; V300-I317 HydrophobicContact CG2-CB 4.26Å; V300-I317 HydrophobicContact CG2-CD1 3.81Å; V300-I317 HydrophobicContact CG2-CG1 3.64Å; V300-I317 HydrophobicContact CG2-CG2 3.73Å
301L98.9Very high98.2Very high0 Ų054.4 Ų54.40%032%0.32CS..EExtended strand (participates in β ladder)trans-140146.8179.1-73.6171000109.6F10 L155 I179 V181 F208 E209 L210 F227 Y275 F315F10-L301 HydrophobicContact CE2-CD2 3.87Å; F10-L301 HydrophobicContact CZ-CD2 4.19Å; L155-L301 HydrophobicContact CD1-CB 4.49Å; L155-L301 HydrophobicContact CD1-CD1 3.98Å; I179-L301 HydrophobicContact CD1-CD1 3.98Å; V181-L301 HydrophobicContact CG2-CD1 4.1Å; F208-L301 HydrophobicContact CB-CB 4.24Å; F208-L301 HydrophobicContact CB-CD1 4.22Å; F208-L301 HydrophobicContact CB-CD2 4.35Å; F208-L301 HydrophobicContact CD1-CB 4.23Å; E209-L301 WeakPolarHBondContact O-CA 3.19Å; E209-L301 WeakPolarHBondContact O-CD2 3.38Å; L210-L301 HydrophobicContact CD2-CD2 4.23Å; F227-L301 HydrophobicContact CE1-CD1 4.38Å; F227-L301 HydrophobicContact CE1-CD2 4.1Å; F227-L301 HydrophobicContact CE1-CG 4.43Å; F227-L301 HydrophobicContact CZ-CD2 4.19Å; Y275-L301 HydrophobicContact CE2-CD1 4.19Å; L301-F315 PolarHBondContact N-O 3.4Å; L301-F315 PolarHBondContact O-N 3.12Å
302T98.9Very high98.2Very high24 Ų2449.9 Ų49.915%0.14730%0.296CS..EExtended strand (participates in β ladder)trans-128.8147.3177.6-177.50000110.5F208 E209 P211 D314F208-T302 CarbonylContact C-O 3.44Å; F208-T302 WeakPolarHBondContact CA-O 3.24Å; E209-T302 PolarHBondContact N-O 3.22Å; E209-T302 PolarHBondContact O-N 3.45Å; P211-T302 HydrophobicContact CB-CG2 4.42Å; T302-D314 WeakPolarHBondContact CB-OD1 2.99Å; T302-D314 PolarHBondContact OG1-OD1 3.24Å
303A98.9Very high98.2Very high0 Ų048.1 Ų48.10%029%0.288CS..EExtended strand (participates in β ladder)trans-122127.8171.200000109.3V203 V206 F208 A311 I312 A313V203-A303 HydrophobicContact CB-CB 4.43Å; V203-A303 HydrophobicContact CG1-CB 4.08Å; V203-A303 HydrophobicContact CG2-CB 4.26Å; V206-A303 HydrophobicContact CG1-CB 4Å; F208-A303 HydrophobicContact CD1-CB 3.93Å; F208-A303 HydrophobicContact CE1-CB 4.03Å; A303-A311 CarbonylContact O-C 3.57Å; A303-A311 VanDerWaalsContact O-CA 3.26Å; A303-A311 WeakPolarHBondContact O-CA 3.34Å; A303-A311 WeakPolarHBondContact O-CB 3.48Å; A303-I312 HydrophobicContact CB-CG2 3.77Å; A303-I312 WeakPolarHBondContact O-CG2 3.42Å; A303-I312 PolarHBondContact O-N 3Å; A303-A313 PolarHBondContact N-O 3.23Å; A303-A313 PolarHBondContact O-N 3.13Å
304K98.8Very high98.3Very high112 Ų11248 Ų4849%0.48728%0.284SS..EExtended strand (participates in β ladder)trans-71.7144.1-176.6-66.3179.8-177.6118.50111.8V206 E209V206-K304 HydrophobicContact CG2-CB 4.49Å; E209-K304 IonicContact OE1-NZ 3.83Å; E209-K304 PolarHBondContact OE1-NZ 3.08Å; E209-K304 IonicContact OE2-NZ 3.53Å; E209-K304 PolarHBondContact OE2-NZ 3.4Å
305S98.6Very high98.3Very high25 Ų2543.1 Ų43.118%0.17526%0.258CS..  trans-86.6176.2162.179.70000110.8R307 V310S305-R307 PolarHBondContact O-N 2.82Å; S305-R307 PolarHBondContact OG-N 2.97Å; S305-R307 PolarHBondContact OG-O 2.83Å; S305-R307 VanDerWaalsContact OG-O 3.12Å; S305-V310 WeakPolarHBondContact CB-O 3.47Å; S305-V310 PolarHBondContact N-O 3.16Å; S305-V310 PolarHBondContact OG-O 2.78Å
306V97.8Very high98.3Very high130 Ų13041.8 Ų41.879%0.78825%0.249SC*.SBendtrans-67.5-14.4169.8-61.30000113.2
307R98.3Very high98.3Very high175 Ų17538.7 Ų38.766%0.6623%0.227SC*.SBendtrans-92.1119.7175.8-175.6179.4-67156.92.1109.4S305 G309 V310S305-R307 PolarHBondContact O-N 2.82Å; S305-R307 PolarHBondContact OG-N 2.97Å; S305-R307 PolarHBondContact OG-O 2.83Å; S305-R307 VanDerWaalsContact OG-O 3.12Å; R307-G309 PolarHBondContact O-N 2.97Å; R307-V310 HydrophobicContact CB-CB 4.24Å; R307-V310 HydrophobicContact CB-CG2 4.46Å; R307-V310 HydrophobicContact CG-CB 4.34Å; R307-V310 HydrophobicContact CG-CG2 4.02Å; R307-V310 PolarHBondContact O-N 2.93Å; R307-V310 VanDerWaalsContact O-N 3.16Å
308P97.6Very high98.3Very high124 Ų12437.6 Ų37.681%0.80522%0.221SC*.THydrogen-bonded Turntrans-55.8136.6-179.9-26.334.9000112.7V310P308-V310 PolarHBondContact O-N 2.91Å
309G90.7Very high98.3Very high92 Ų9237.7 Ų37.795%0.94822%0.222SC*.THydrogen-bonded Turntrans75.81.2179.900000115.2R307R307-G309 PolarHBondContact O-N 2.97Å
310V98.3Very high98.2Very high44 Ų4439.3 Ų39.327%0.26723%0.233SC..  trans-116.9119.9178.6179.90000109S305 R307 P308S305-V310 WeakPolarHBondContact CB-O 3.47Å; S305-V310 PolarHBondContact N-O 3.16Å; S305-V310 PolarHBondContact OG-O 2.78Å; R307-V310 HydrophobicContact CB-CB 4.24Å; R307-V310 HydrophobicContact CB-CG2 4.46Å; R307-V310 HydrophobicContact CG-CB 4.34Å; R307-V310 HydrophobicContact CG-CG2 4.02Å; R307-V310 PolarHBondContact O-N 2.93Å; R307-V310 VanDerWaalsContact O-N 3.16Å; P308-V310 PolarHBondContact O-N 2.91Å
311A98.8Very high98.2Very high13 Ų1340.2 Ų40.211%0.10724%0.236CC..EExtended strand (participates in β ladder)trans-70.9140.6173.600000110.5A303 A313 D314 S403A303-A311 CarbonylContact O-C 3.57Å; A303-A311 VanDerWaalsContact O-CA 3.26Å; A303-A311 WeakPolarHBondContact O-CA 3.34Å; A303-A311 WeakPolarHBondContact O-CB 3.48Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A311-D314 WeakPolarHBondContact CB-OD1 3.32Å; A311-D314 WeakPolarHBondContact CB-OD2 3.45Å; A311-S403 WeakPolarHBondContact O-CB 3.39Å; A311-S403 PolarHBondContact O-OG 2.98Å
312I98.9Very high98.2Very high5 Ų547.1 Ų47.13%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-70.6-35.9163.7-165.665.7000109.2L131 V203 V206 A303 S402 L404L131-I312 HydrophobicContact CD2-CD1 4.4Å; L131-I312 HydrophobicContact CD2-CG1 4.13Å; V203-I312 HydrophobicContact CB-CG2 4.49Å; V203-I312 HydrophobicContact CG1-CG2 4.22Å; V206-I312 HydrophobicContact CG1-CG2 3.96Å; A303-I312 HydrophobicContact CB-CG2 3.77Å; A303-I312 WeakPolarHBondContact O-CG2 3.42Å; A303-I312 PolarHBondContact O-N 3Å; I312-S402 WeakPolarHBondContact O-CA 3.17Å; I312-S402 WeakPolarHBondContact O-CB 3.25Å; I312-L404 HydrophobicContact CD1-CD1 3.69Å; I312-L404 HydrophobicContact CD1-CG 3.8Å
313A98.9Very high98.2Very high0 Ų046.6 Ų46.60%026%0.262CS..EExtended strand (participates in β ladder)trans-153.5141.1172.100000112.3L131 L201 V203 A303 A311 E401L131-A313 HydrophobicContact CD1-CB 4.18Å; L201-A313 HydrophobicContact CD1-CB 4.33Å; L201-A313 HydrophobicContact CD2-CB 3.9Å; V203-A313 HydrophobicContact CG1-CB 4.03Å; A303-A313 PolarHBondContact N-O 3.23Å; A303-A313 PolarHBondContact O-N 3.13Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A313-E401 CarbonylContact C-O 3.51Å; A313-E401 WeakPolarHBondContact CA-O 3.43Å
314D98.9Very high98.2Very high22 Ų2248.6 Ų48.612%0.11827%0.274CS..EExtended strand (participates in β ladder)trans-113.7137.2164.5-59.2-69.4000110.1T299 T302 A311 V316 F400 E401T299-D314 HydrophobicContact CG2-CB 4.43Å; T302-D314 WeakPolarHBondContact CB-OD1 2.99Å; T302-D314 PolarHBondContact OG1-OD1 3.24Å; A311-D314 WeakPolarHBondContact CB-OD1 3.32Å; A311-D314 WeakPolarHBondContact CB-OD2 3.45Å; D314-V316 HydrophobicContact CB-CG2 4.14Å; D314-F400 WeakPolarHBondContact O-CA 3.34Å; D314-E401 HydrophobicContact CB-CG 3.57Å; D314-E401 PolarHBondContact N-O 2.95Å; D314-E401 PolarHBondContact O-N 3.42Å; D314-E401 VanDerWaalsContact O-N 3.09Å
315F98.9Very high98.1Very high0 Ų043.4 Ų43.40%025%0.252CS..EExtended strand (participates in β ladder)trans-98.8107.4169.2173.3-121.3000109.3L155 V157 I179 L279 V300 L301 I317 F398 F400L155-F315 HydrophobicContact CD1-CB 3.79Å; L155-F315 HydrophobicContact CD1-CD1 3.88Å; L155-F315 HydrophobicContact CD1-CG 3.85Å; L155-F315 HydrophobicContact CD2-CD1 4.48Å; L155-F315 HydrophobicContact CD2-CD2 4.44Å; L155-F315 HydrophobicContact CD2-CG 4.37Å; V157-F315 HydrophobicContact CG2-CE2 4.23Å; V157-F315 HydrophobicContact CG2-CZ 4.43Å; I179-F315 HydrophobicContact CD1-CD1 4.17Å; I179-F315 HydrophobicContact CD1-CE1 3.81Å; I179-F315 HydrophobicContact CG2-CE1 3.88Å; I179-F315 HydrophobicContact CG2-CZ 3.79Å; L279-F315 HydrophobicContact CD2-CE1 4.06Å; L279-F315 HydrophobicContact CD2-CZ 4.3Å; V300-F315 HydrophobicContact CB-CD1 3.71Å; V300-F315 HydrophobicContact CB-CE1 3.97Å; V300-F315 HydrophobicContact CG1-CD1 4.11Å; V300-F315 HydrophobicContact CG1-CE1 4.13Å; V300-F315 HydrophobicContact CG2-CD1 4.22Å; V300-F315 HydrophobicContact CG2-CE1 4.08Å; V300-F315 PolarHBondContact N-O 2.87Å; L301-F315 PolarHBondContact N-O 3.4Å; L301-F315 PolarHBondContact O-N 3.12Å; F315-I317 HydrophobicContact CE1-CG2 3.96Å; F315-I317 HydrophobicContact CE2-CG2 4.21Å; F315-I317 HydrophobicContact CZ-CG2 3.64Å; F315-F398 HydrophobicContact CD2-CB 4.47Å; F315-F398 HydrophobicContact CD2-CD2 4.13Å; F315-F398 HydrophobicContact CE2-CB 3.66Å; F315-F398 AromaticContact CE2-CD2 3.63Å; F315-F398 HydrophobicContact CE2-CD2 3.63Å; F315-F398 AromaticContact CE2-CG 3.77Å; F315-F398 HydrophobicContact CE2-CG 3.77Å; F315-F398 HydrophobicContact CZ-CB 4.3Å; F315-F400 HydrophobicContact CB-CD1 4.44Å; F315-F400 AromaticContact CD2-CD1 3.65Å; F315-F400 HydrophobicContact CD2-CD1 3.65Å; F315-F400 AromaticContact CD2-CE1 3.35Å; F315-F400 HydrophobicContact CD2-CE1 3.35Å; F315-F400 HydrophobicContact CE2-CD1 4.42Å; F315-F400 AromaticContact CE2-CE1 3.81Å; F315-F400 HydrophobicContact CE2-CE1 3.81Å; F315-F400 HydrophobicContact CG-CD1 4.47Å; F315-F400 HydrophobicContact CG-CE1 4.23Å
316V98.9Very high98.1Very high0 Ų046.5 Ų46.50%027%0.267CS..EExtended strand (participates in β ladder)trans-112.3143.9-175.1-1790000109.1P295 F298 D314 F318 F398 M399P295-V316 VanDerWaalsContact O-CG1 3.24Å; P295-V316 WeakPolarHBondContact O-CG1 3.45Å; F298-V316 HydrophobicContact CB-CG1 3.77Å; D314-V316 HydrophobicContact CB-CG2 4.14Å; V316-F318 HydrophobicContact CG1-CZ 4.41Å; V316-F398 CarbonylContact O-C 3.49Å; V316-F398 WeakPolarHBondContact O-CA 3.31Å; V316-F398 VanDerWaalsContact O-CB 3.25Å; V316-F398 WeakPolarHBondContact O-CB 3.46Å; V316-M399 HydrophobicContact CB-CB 4.23Å; V316-M399 HydrophobicContact CB-CE 4.37Å; V316-M399 HydrophobicContact CG2-CE 4.4Å; V316-M399 PolarHBondContact N-O 3.21Å; V316-M399 PolarHBondContact O-N 3.36Å
317I98.8Very high98.1Very high0 Ų049.9 Ų49.90%027%0.271CS..EExtended strand (participates in β ladder)trans-117.6160.2176.660.5168.6000112.4L279 F282 F298 V300 F315 P319 M396 F398L279-I317 HydrophobicContact CD1-CG2 4.24Å; L279-I317 HydrophobicContact CD2-CD1 4.44Å; L279-I317 HydrophobicContact CD2-CG2 4.11Å; F282-I317 HydrophobicContact CB-CD1 3.78Å; F282-I317 HydrophobicContact CD1-CD1 3.96Å; F282-I317 HydrophobicContact CD1-CG1 4.48Å; F282-I317 HydrophobicContact CD2-CD1 3.99Å; F282-I317 HydrophobicContact CG-CD1 3.65Å; F282-I317 HydrophobicContact CG-CG1 4.47Å; F298-I317 WeakPolarHBondContact CB-O 3.34Å; F298-I317 WeakPolarHBondContact CG-O 3.1Å; F298-I317 PolarHBondContact O-N 3.2Å; F298-I317 VanDerWaalsContact O-N 3.12Å; V300-I317 HydrophobicContact CG2-CB 4.26Å; V300-I317 HydrophobicContact CG2-CD1 3.81Å; V300-I317 HydrophobicContact CG2-CG1 3.64Å; V300-I317 HydrophobicContact CG2-CG2 3.73Å; F315-I317 HydrophobicContact CE1-CG2 3.96Å; F315-I317 HydrophobicContact CE2-CG2 4.21Å; F315-I317 HydrophobicContact CZ-CG2 3.64Å; I317-P319 HydrophobicContact CD1-CB 4.06Å; I317-P319 HydrophobicContact CD1-CG 4.07Å; I317-P319 HydrophobicContact CG1-CG 4.24Å; I317-P319 WeakPolarHBondContact O-CD 3.5Å; I317-M396 HydrophobicContact CB-SD 4.17Å; I317-M396 HydrophobicContact CD1-SD 4.36Å; I317-F398 HydrophobicContact CG2-CB 4.12Å
318F98.4Very high98.1Very high14 Ų1442.1 Ų42.16%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-122.579.9171.1-57.7-85.6000108.8P295 F298 V316 M343 Y350 A397 M399P295-F318 HydrophobicContact CB-CE1 4.18Å; P295-F318 HydrophobicContact CB-CZ 4.35Å; F298-F318 HydrophobicContact CD2-CD1 4.15Å; F298-F318 HydrophobicContact CD2-CE1 4.27Å; F298-F318 HydrophobicContact CE2-CD1 4.34Å; V316-F318 HydrophobicContact CG1-CZ 4.41Å; F318-M343 HydrophobicContact CD2-CE 3.91Å; F318-M343 HydrophobicContact CD2-SD 4.22Å; F318-M343 HydrophobicContact CE2-CE 3.65Å; F318-M343 HydrophobicContact CE2-SD 3.45Å; F318-M343 WeakPolarHBondContact CE2-SD 3.44Å; F318-M343 HydrophobicContact CZ-CE 4.42Å; F318-M343 HydrophobicContact CZ-SD 4.15Å; F318-Y350 HydrophobicContact CB-CE2 4.1Å; F318-Y350 HydrophobicContact CD1-CE2 4.25Å; F318-Y350 HydrophobicContact CD2-CE2 4.12Å; F318-Y350 AromaticContact CG-CE2 3.88Å; F318-Y350 HydrophobicContact CG-CE2 3.88Å; F318-A397 HydrophobicContact CB-CB 4.18Å; F318-A397 HydrophobicContact CD2-CB 4.1Å; F318-A397 PolarHBondContact N-O 2.94Å; F318-M399 HydrophobicContact CE2-CB 4.11Å
319P98.3Very high98.1Very high4 Ų439 Ų393%0.02622%0.217CC..  trans-84.3170.2-169.934.9-34.7000112F282 V284 I317 R321 M396F282-P319 HydrophobicContact CD1-CG 4.33Å; V284-P319 HydrophobicContact CG1-CG 4.33Å; V284-P319 HydrophobicContact CG2-CB 4.25Å; V284-P319 HydrophobicContact CG2-CG 3.51Å; I317-P319 HydrophobicContact CD1-CB 4.06Å; I317-P319 HydrophobicContact CD1-CG 4.07Å; I317-P319 HydrophobicContact CG1-CG 4.24Å; I317-P319 WeakPolarHBondContact O-CD 3.5Å; P319-R321 PolarHBondContact O-N 3.44Å; P319-R321 PolarHBondContact O-NH1 3.35Å; P319-M396 HydrophobicContact CB-CE 3.79Å; P319-M396 HydrophobicContact CB-SD 4.05Å
320P98.5Very high98.5Very high42 Ų4236.2 Ų36.227%0.27318%0.177SC..SBendtrans-54.7129167.2-21.430.1000111.8I391 A392 D393P320-I391 CarbonylContact C-O 3.57Å; P320-I391 VanDerWaalsContact CA-O 3.3Å; P320-I391 WeakPolarHBondContact CA-O 3.39Å; P320-A392 WeakPolarHBondContact CG-O 3.26Å; P320-D393 WeakPolarHBondContact CB-OD1 3.41Å
321R98.5Very high98.4Very high18 Ų1834.8 Ų34.87%0.06817%0.169CC..EExtended strand (participates in β ladder)trans-153.4168.5-173.567.2-170.4-174.9-78.5-0.6113V284 P319 E351 I391V284-R321 HydrophobicContact CG1-CB 3.94Å; P319-R321 PolarHBondContact O-N 3.44Å; P319-R321 PolarHBondContact O-NH1 3.35Å; R321-E351 IonicContact CZ-OE1 3.63Å; R321-E351 IonicContact NH1-OE1 3.37Å; R321-E351 IonicContact NH2-OE1 2.79Å; R321-E351 PolarHBondContact NH2-OE1 3.12Å; R321-E351 IonicContact NH2-OE2 3.62Å; R321-E351 PolarHBondContact NH2-OE2 2.88Å; R321-I391 HydrophobicContact CG-CB 4.09Å; R321-I391 HydrophobicContact CG-CG2 4.41Å; R321-I391 PolarHBondContact N-O 2.85Å; R321-I391 PolarHBondContact O-N 3.05Å
322W98.7Very high98.3Very high145 Ų14535.4 Ų35.455%0.54917%0.172SC..EExtended strand (participates in β ladder)trans-88.4132.7168.1-81106000110.1V324 P388 E389 R390W322-V324 HydrophobicContact CB-CG1 4.35Å; W322-P388 HydrophobicContact CE3-CB 4.31Å; W322-P388 HydrophobicContact CZ3-CB 4.08Å; W322-E389 VanDerWaalsContact CE3-O 3.25Å; W322-R390 VanDerWaalsContact CD1-NH1 3.25Å; W322-R390 HydrophobicContact CD2-CG 4.49Å; W322-R390 HydrophobicContact CE3-CG 4.37Å; W322-R390 HydrophobicContact CH2-CG 3.97Å; W322-R390 HydrophobicContact CZ2-CG 4.1Å; W322-R390 HydrophobicContact CZ3-CG 4.11Å
323G98.3Very high98.2Very high13 Ų1338.7 Ų38.713%0.13419%0.185CC..EExtended strand (participates in β ladder)trans-104118166.500000109.7R330 E389G323-R330 PolarHBondContact O-NH1 2.93Å; G323-R330 VanDerWaalsContact O-NH1 3.16Å; G323-E389 PolarHBondContact N-O 2.84Å; G323-E389 PolarHBondContact O-N 2.94Å
324V98.6Very high98.1Very high42 Ų4243.9 Ų43.926%0.25521%0.205SC..  trans-132.3-0.6-174.9-59.30000114S287 W322 D326 R330 P388S287-V324 WeakPolarHBondContact O-CG2 3.38Å; W322-V324 HydrophobicContact CB-CG1 4.35Å; V324-D326 PolarHBondContact O-N 3.06Å; V324-R330 VanDerWaalsContact C-NH2 3.28Å; V324-P388 HydrophobicContact CG1-CB 4.13Å
325A98.6Very high98.1Very high4 Ų445 Ų453%0.03321%0.21CC..  trans-59.8122-177.800000111.8A289 T328 R330A289-A325 WeakPolarHBondContact O-CA 3.39Å; A325-T328 HydrophobicContact CB-CG2 3.93Å; A325-R330 HydrophobicContact CB-CG 4.41Å; A325-R330 PolarHBondContact O-NE 2.9Å; A325-R330 PolarHBondContact O-NH2 2.73Å
326D98Very high98.1Very high90 Ų9053 Ų5348%0.48124%0.24SC..THydrogen-bonded Turntrans-89.1144.2178.9-81.5-36.9000111.7A289 V324 T328A289-D326 PolarHBondContact O-N 3.39Å; V324-D326 PolarHBondContact O-N 3.06Å; D326-T328 PolarHBondContact O-N 3.14Å; D326-T328 PolarHBondContact O-OG1 2.94Å; D326-T328 VanDerWaalsContact O-OG1 3.1Å
327K97.8Very high98Very high200 Ų20053.9 Ų53.987%0.8724%0.244SC*.THydrogen-bonded Turntrans52.335.9-179.6-58.6172.5-72.1179.20112.8L386K327-L386 VanDerWaalsContact N-CD1 3.26Å
328T98.4Very high97.9Very high12 Ų1257.7 Ų57.77%0.07427%0.27CS..SBendtrans-127.9139-172.7-68.50000110.7D291 A325 D326 R330D291-T328 PolarHBondContact N-OG1 3.41Å; A325-T328 HydrophobicContact CB-CG2 3.93Å; D326-T328 PolarHBondContact O-N 3.14Å; D326-T328 PolarHBondContact O-OG1 2.94Å; D326-T328 VanDerWaalsContact O-OG1 3.1Å; T328-R330 PolarHBondContact O-N 2.84Å; T328-R330 VanDerWaalsContact O-N 3.11Å
329F97.8Very high98Very high60 Ų6058.3 Ų58.326%0.26327%0.274SS..  trans-7199.7163-176.1-92.7000108.6P331 P373 F378 A381F329-P331 HydrophobicContact CD1-CB 4.4Å; F329-P331 HydrophobicContact CD1-CG 4.4Å; F329-P331 HydrophobicContact CE1-CB 3.7Å; F329-P331 HydrophobicContact CE1-CG 3.84Å; F329-P331 HydrophobicContact CE2-CG 4.41Å; F329-P331 HydrophobicContact CZ-CB 4.07Å; F329-P331 HydrophobicContact CZ-CG 3.85Å; F329-P373 HydrophobicContact CE1-CG 3.88Å; F329-P373 HydrophobicContact CZ-CB 4.41Å; F329-P373 HydrophobicContact CZ-CG 4.04Å; F329-F378 AromaticContact CE2-CD2 3.79Å; F329-F378 HydrophobicContact CE2-CD2 3.79Å; F329-F378 HydrophobicContact CE2-CE2 4.37Å; F329-F378 HydrophobicContact CE2-CG 4.48Å; F329-F378 HydrophobicContact CZ-CD2 4.07Å; F329-A381 HydrophobicContact CD2-CB 3.91Å; F329-A381 HydrophobicContact CE2-CB 3.56Å; F329-A381 HydrophobicContact CZ-CB 4.15Å
330R97.6Very high98Very high32 Ų3258.1 Ų58.112%0.12127%0.273CS..  trans-73-26.1-170.4-69.1-174.3177.4174.50.2116.8H292 G323 V324 A325 T328 L386 A387 E389H292-R330 PolarHBondContact CD2-O 3.07Å; G323-R330 PolarHBondContact O-NH1 2.93Å; G323-R330 VanDerWaalsContact O-NH1 3.16Å; V324-R330 VanDerWaalsContact C-NH2 3.28Å; A325-R330 HydrophobicContact CB-CG 4.41Å; A325-R330 PolarHBondContact O-NE 2.9Å; A325-R330 PolarHBondContact O-NH2 2.73Å; T328-R330 PolarHBondContact O-N 2.84Å; T328-R330 VanDerWaalsContact O-N 3.11Å; R330-L386 HydrophobicContact CG-CD2 4.38Å; R330-A387 PolarHBondContact NH1-O 3.2Å; R330-A387 PolarHBondContact NH2-O 2.94Å; R330-E389 WeakPolarHBondContact CD-OE1 3.41Å; R330-E389 IonicContact CZ-OE1 3.38Å; R330-E389 IonicContact NH1-OE1 2.68Å; R330-E389 PolarHBondContact NH1-OE1 3.16Å
331P96.3Very high98Very high15 Ų1557 Ų5710%0.09726%0.264CS..SBendtrans-63.9166.9172.2-21.732.7000111.8F329 Y333 P373 A381F329-P331 HydrophobicContact CD1-CB 4.4Å; F329-P331 HydrophobicContact CD1-CG 4.4Å; F329-P331 HydrophobicContact CE1-CB 3.7Å; F329-P331 HydrophobicContact CE1-CG 3.84Å; F329-P331 HydrophobicContact CE2-CG 4.41Å; F329-P331 HydrophobicContact CZ-CB 4.07Å; F329-P331 HydrophobicContact CZ-CG 3.85Å; P331-Y333 PolarHBondContact O-N 2.97Å; P331-P373 HydrophobicContact CB-CG 3.94Å; P331-A381 HydrophobicContact CG-CB 3.47Å; P331-A381 VanDerWaalsContact CG-CB 3.47Å
332P96.4Very high98Very high26 Ų2656.2 Ų56.217%0.16926%0.261CS..PPolyproline II helixtrans-50.7140170.1-26.435.1000111.3A352 P373P332-A352 HydrophobicContact CG-CB 4.34Å; P332-P373 WeakPolarHBondContact O-CD 3.41Å; P332-P373 WeakPolarHBondContact O-CG 3.32Å
333Y97.3Very high98Very high73 Ų7349.8 Ų49.829%0.28624%0.237SC..PPolyproline II helixtrans-69.9159.2177.343.6-96.6000111.6H292 D294 P331 H335H292-Y333 HydrophobicContact CB-CD1 4.36Å; H292-Y333 AromaticContact ND1-CD1 3.85Å; H292-Y333 AromaticContact ND1-CE1 3.68Å; D294-Y333 PolarHBondContact OD1-OH 3.15Å; P331-Y333 PolarHBondContact O-N 2.97Å; Y333-H335 HydrophobicContact CD2-CB 4.04Å; Y333-H335 HydrophobicContact CE2-CB 4.13Å; Y333-H335 AromaticContact CE2-CD2 3.66Å; Y333-H335 AromaticContact CE2-CG 3.9Å; Y333-H335 PolarHBondContact O-N 3.29Å
334Y98Very high98Very high109 Ų10949.2 Ų49.243%0.42723%0.231SC..PPolyproline II helixtrans-61.5131167.4-68.7-71.6000109.7H371 F378 L430Y334-H371 WeakPolarHBondContact CA-O 3.29Å; Y334-F378 HydrophobicContact CE2-CD2 4.02Å; Y334-F378 HydrophobicContact CE2-CE2 4.42Å; Y334-L430 HydrophobicContact CE1-CD1 3.99Å; Y334-L430 WeakPolarHBondContact OH-CD2 3.47Å
335H98.3Very high98Very high46 Ų4647.2 Ų47.221%0.21322%0.219CC..BIsolated β-bridgetrans-142.2147.1-159.6-172.3-146.9000113.1Y333 N337 E341 P370 H371Y333-H335 HydrophobicContact CD2-CB 4.04Å; Y333-H335 HydrophobicContact CE2-CB 4.13Å; Y333-H335 AromaticContact CE2-CD2 3.66Å; Y333-H335 AromaticContact CE2-CG 3.9Å; Y333-H335 PolarHBondContact O-N 3.29Å; H335-N337 PolarHBondContact CE1-ND2 2.76Å; H335-N337 PolarHBondContact ND1-ND2 3.09Å; H335-N337 WeakPolarHBondContact NE2-CB 3.15Å; H335-E341 IonicContact CE1-OE1 3.31Å; H335-E341 IonicContact ND1-OE1 2.66Å; H335-P370 WeakPolarHBondContact O-CA 3.38Å; H335-H371 AromaticContact CG-CE1 3.93Å; H335-H371 AromaticContact CG-NE2 3.61Å; H335-H371 PolarHBondContact N-O 2.93Å; H335-H371 AromaticContact ND1-CE1 3.53Å; H335-H371 AromaticContact ND1-NE2 3.12Å; H335-H371 PolarHBondContact ND1-NE2 3.06Å; H335-H371 VanDerWaalsContact ND1-NE2 3.12Å; H335-H371 PolarHBondContact O-N 2.99Å; H335-H371 PolarHBondContact O-ND1 2.84Å
336R98.1Very high98Very high167 Ų16747.1 Ų47.163%0.6322%0.218SC*.  trans-145131.3170.7-68.5162.759.8-155.7-3.8106.2P370R336-P370 HydrophobicContact CG-CB 4.03Å; R336-P370 HydrophobicContact CG-CG 3.98Å
337N97.3Very high97.9Very high19 Ų1951.1 Ų51.110%0.10223%0.226CC..  trans-146.1170-176.365.886.2000113.8H335 M339 E341 M368 H371H335-N337 PolarHBondContact CE1-ND2 2.76Å; H335-N337 PolarHBondContact ND1-ND2 3.09Å; H335-N337 WeakPolarHBondContact NE2-CB 3.15Å; N337-M339 VanDerWaalsContact C-N 3.31Å; N337-M339 WeakPolarHBondContact OD1-CA 3.12Å; N337-M339 WeakPolarHBondContact OD1-CB 3.28Å; N337-M339 PolarHBondContact OD1-N 3.01Å; N337-M339 PolarHBondContact OD1-O 3.16Å; N337-E341 PolarHBondContact ND2-OE1 2.77Å; N337-M368 WeakPolarHBondContact O-CA 3.35Å; N337-M368 PolarHBondContact O-N 3.03Å; N337-H371 PolarHBondContact ND2-CE1 3.06Å
338C97.9Very high97.7Very high81 Ų8142.4 Ų42.455%0.54719%0.192SC..SBendtrans-74.7-17.9178.650.20000114.1T367 M368C338-T367 WeakPolarHBondContact O-CG2 3.32Å; C338-M368 HydrophobicContact CB-CE 4.23Å
339M98.6Very high97.2Very high27 Ų2748.4 Ų48.413%0.13322%0.22CC..SBendtrans-84.3164179.1-44.5-60.5-83.900110N337 T367 E401 S402N337-M339 VanDerWaalsContact C-N 3.31Å; N337-M339 WeakPolarHBondContact OD1-CA 3.12Å; N337-M339 WeakPolarHBondContact OD1-CB 3.28Å; N337-M339 PolarHBondContact OD1-N 3.01Å; N337-M339 PolarHBondContact OD1-O 3.16Å; M339-T367 WeakPolarHBondContact O-CA 3.5Å; M339-E401 HydrophobicContact CE-CG 4.47Å; M339-S402 CarbonylContact C-O 3.54Å; M339-S402 VanDerWaalsContact CA-O 3.25Å; M339-S402 WeakPolarHBondContact CA-O 3.29Å; M339-S402 WeakPolarHBondContact CB-O 3.39Å
340S98.7Very high96.2Very high0 Ų047 Ų470%021%0.213CC..EExtended strand (participates in β ladder)trans-105.5142.6157.361.70000108.9H365 E401 S402 L404 L406S340-H365 WeakPolarHBondContact CA-O 3.41Å; S340-E401 CarbonylContact O-C 3.57Å; S340-E401 WeakPolarHBondContact O-CA 3.49Å; S340-S402 PolarHBondContact N-O 3.15Å; S340-S402 PolarHBondContact O-N 2.9Å; S340-L404 PolarHBondContact OG-O 3.23Å; S340-L406 VanDerWaalsContact OG-CG 3.31Å; S340-L406 WeakPolarHBondContact OG-CG 3.44Å; S340-L406 PolarHBondContact OG-N 3.46Å
341E98.7Very high95.1Very high19 Ų1948 Ų489%0.08922%0.219CC..EExtended strand (participates in β ladder)trans-122.1108.6-168.3-65176.7-167.900110.1H335 N337 L364 H365 H371 M399H335-E341 IonicContact CE1-OE1 3.31Å; H335-E341 IonicContact ND1-OE1 2.66Å; N337-E341 PolarHBondContact ND2-OE1 2.77Å; E341-L364 WeakPolarHBondContact O-CA 3.48Å; E341-H365 HydrophobicContact CB-CB 4.36Å; E341-H365 PolarHBondContact N-O 2.91Å; E341-H365 PolarHBondContact O-N 3.44Å; E341-H371 IonicContact OE1-CE1 3.4Å; E341-H371 IonicContact OE1-NE2 2.67Å; E341-H371 IonicContact OE2-CE1 3.43Å; E341-H371 IonicContact OE2-NE2 2.75Å; E341-H371 PolarHBondContact OE2-NE2 3.11Å; E341-M399 HydrophobicContact CB-CG 4.34Å; E341-M399 HydrophobicContact CB-SD 3.67Å; E341-M399 HydrophobicContact CG-SD 3.64Å
342F98.8Very high93.7Very high0 Ų047.5 Ų47.50%022%0.216CC..EExtended strand (participates in β ladder)trans-94.6116.2166.9173.4-96.2000110.1W97 L119 I133 Y199 S363 L364 F398 M399 F400 L406W97-F342 HydrophobicContact CZ3-CD2 4.48Å; W97-F342 HydrophobicContact CZ3-CE2 4.34Å; L119-F342 HydrophobicContact CD2-CD2 4.07Å; L119-F342 HydrophobicContact CD2-CE2 3.34Å; L119-F342 HydrophobicContact CD2-CZ 3.91Å; I133-F342 HydrophobicContact CD1-CB 3.5Å; I133-F342 VanDerWaalsContact CD1-CB 3.5Å; I133-F342 HydrophobicContact CD1-CD1 3.88Å; I133-F342 HydrophobicContact CD1-CD2 4.5Å; I133-F342 HydrophobicContact CD1-CG 3.7Å; I133-F342 HydrophobicContact CG2-CD1 4.07Å; I133-F342 HydrophobicContact CG2-CE1 3.96Å; I133-F342 HydrophobicContact CG2-CG 4.41Å; I133-F342 HydrophobicContact CG2-CZ 4.23Å; Y199-F342 HydrophobicContact CD1-CE1 4.12Å; Y199-F342 HydrophobicContact CD1-CZ 4.05Å; Y199-F342 HydrophobicContact CE1-CZ 4.33Å; F342-S363 CarbonylContact C-O 3.53Å; F342-S363 VanDerWaalsContact CA-O 3.31Å; F342-S363 WeakPolarHBondContact CA-O 3.47Å; F342-L364 HydrophobicContact CB-CD1 4.21Å; F342-F398 HydrophobicContact CE1-CE2 4.35Å; F342-F398 HydrophobicContact CE1-CZ 4.49Å; F342-M399 CarbonylContact O-C 3.45Å; F342-M399 VanDerWaalsContact O-CA 3.26Å; F342-M399 WeakPolarHBondContact O-CA 3.44Å; F342-F400 HydrophobicContact CB-CB 4.43Å; F342-F400 HydrophobicContact CD1-CB 4.29Å; F342-F400 AromaticContact CD1-CD2 3.58Å; F342-F400 HydrophobicContact CD1-CD2 3.58Å; F342-F400 HydrophobicContact CD1-CE2 4.32Å; F342-F400 HydrophobicContact CD1-CG 4.24Å; F342-F400 AromaticContact CE1-CD2 3.99Å; F342-F400 HydrophobicContact CE1-CD2 3.99Å; F342-F400 HydrophobicContact CE1-CE2 4.28Å; F342-F400 PolarHBondContact N-O 3.28Å; F342-F400 PolarHBondContact O-N 3.02Å; F342-L406 HydrophobicContact CB-CD1 4.28Å
343M98.5Very high92.4Very high11 Ų1147.2 Ų47.25%0.05421%0.212CC..EExtended strand (participates in β ladder)trans-99.2138175.6-77-77-7000110.9F318 Y350 F357 G362 S363 A397 F398 M399F318-M343 HydrophobicContact CD2-CE 3.91Å; F318-M343 HydrophobicContact CD2-SD 4.22Å; F318-M343 HydrophobicContact CE2-CE 3.65Å; F318-M343 HydrophobicContact CE2-SD 3.45Å; F318-M343 WeakPolarHBondContact CE2-SD 3.44Å; F318-M343 HydrophobicContact CZ-CE 4.42Å; F318-M343 HydrophobicContact CZ-SD 4.15Å; M343-Y350 HydrophobicContact CE-CD1 4.17Å; M343-Y350 HydrophobicContact CE-CD2 4.21Å; M343-Y350 HydrophobicContact CE-CE1 3.7Å; M343-Y350 HydrophobicContact CE-CE2 3.78Å; M343-Y350 HydrophobicContact CE-CG 4.4Å; M343-F357 HydrophobicContact CB-CE2 4.21Å; M343-F357 HydrophobicContact CB-CZ 3.92Å; M343-G362 CarbonylContact O-C 3.57Å; M343-G362 WeakPolarHBondContact O-CA 3.19Å; M343-S363 PolarHBondContact N-O 2.79Å; M343-S363 PolarHBondContact O-N 3.38Å; M343-A397 HydrophobicContact CE-CB 4.24Å; M343-F398 WeakPolarHBondContact CA-O 3.21Å; M343-F398 VanDerWaalsContact SD-O 3.37Å; M343-M399 HydrophobicContact CG-CG 4.37Å; M343-M399 HydrophobicContact CG-SD 4.45Å; M343-M399 HydrophobicContact SD-CB 3.65Å; M343-M399 HydrophobicContact SD-CG 4.01Å; M343-M399 HydrophobicContact SD-SD 4.11Å
344G98.4Very high90.7Very high0 Ų049.4 Ų49.40%023%0.225CC..EExtended strand (participates in β ladder)trans-128.7161.8171.300000112.5A397 F398G344-A397 WeakPolarHBondContact O-CA 3.48Å; G344-F398 PolarHBondContact N-O 3.24Å; G344-F398 PolarHBondContact O-N 3.24Å
345L98.4Very high89.2Confident0 Ų046.3 Ų46.30%023%0.226CC..EExtended strand (participates in β ladder)trans-128120.2179.7-172.156000110.8Q159 Y199 R347 F357 P359 G360 T395 A397Q159-L345 WeakPolarHBondContact CG-O 3.39Å; Y199-L345 PolarHBondContact OH-N 2.94Å; Y199-L345 PolarHBondContact OH-O 2.85Å; L345-R347 VanDerWaalsContact CD1-O 3.31Å; L345-R347 WeakPolarHBondContact CD1-O 3.47Å; L345-F357 HydrophobicContact CB-CD1 4.18Å; L345-F357 HydrophobicContact CB-CE1 3.62Å; L345-F357 HydrophobicContact CB-CZ 3.96Å; L345-F357 HydrophobicContact CD1-CE1 4.45Å; L345-F357 HydrophobicContact CD2-CD1 3.89Å; L345-F357 HydrophobicContact CD2-CE1 4.09Å; L345-F357 WeakPolarHBondContact CD2-O 3.26Å; L345-F357 HydrophobicContact CG-CE1 4.28Å; L345-P359 HydrophobicContact CD2-CG 4.12Å; L345-P359 HydrophobicContact CG-CG 4.16Å; L345-P359 WeakPolarHBondContact O-CA 3.18Å; L345-G360 PolarHBondContact O-N 2.77Å; L345-T395 HydrophobicContact CD1-CG2 4.12Å; L345-A397 HydrophobicContact CD1-CB 3.86Å
346I98.5Very high88Confident3 Ų345.8 Ų45.82%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-80.8-50.1177.9-61.8175.2000110V157 Q159 P176 L279 M396 F398V157-I346 HydrophobicContact CG1-CD1 3.52Å; V157-I346 HydrophobicContact CG1-CG1 3.88Å; Q159-I346 WeakPolarHBondContact CG-O 3.45Å; Q159-I346 PolarHBondContact NE2-O 2.73Å; P176-I346 HydrophobicContact CB-CG2 4.18Å; L279-I346 HydrophobicContact CD1-CD1 3.68Å; I346-M396 HydrophobicContact CB-CB 4.26Å; I346-M396 WeakPolarHBondContact CB-O 3.5Å; I346-M396 HydrophobicContact CD1-CG 3.89Å; I346-M396 PolarHBondContact N-O 3.42Å; I346-F398 HydrophobicContact CD1-CD1 4.2Å; I346-F398 HydrophobicContact CG1-CD1 3.89Å; I346-F398 HydrophobicContact CG1-CE1 4.04Å
347R97.1Very high87.6Confident174 Ų17438.3 Ų38.366%0.65721%0.205SC*.EExtended strand (participates in β ladder)trans-155.1154.9-176.9-179-176.5171.7-176.9-0.5110.2L345 T395 M396L345-R347 VanDerWaalsContact CD1-O 3.31Å; L345-R347 WeakPolarHBondContact CD1-O 3.47Å; R347-T395 CarbonylContact O-C 3.59Å; R347-T395 VanDerWaalsContact O-CA 3.29Å; R347-T395 WeakPolarHBondContact O-CA 3.04Å; R347-M396 PolarHBondContact O-N 2.86Å
348G93.8Very high87.4Confident16 Ų1641.1 Ų41.117%0.16522%0.22CC..SBendtrans86.8-146169.700000112.9G394 T395G348-G394 WeakPolarHBondContact CA-O 3.4Å; G348-T395 WeakPolarHBondContact CA-OG1 3.29Å
349H86.1Confident87.4Confident139 Ų13939 Ų3964%0.64421%0.205SC*.  trans-137.6131.5-177.6-56.495.8000110.1T395H349-T395 PolarHBondContact N-OG1 3.11Å; H349-T395 WeakPolarHBondContact O-CG2 3.44Å; H349-T395 PolarHBondContact O-OG1 2.85Å
350Y78.6Confident87.4Confident30 Ų3037.8 Ų37.812%0.11820%0.199CC..  trans-81.7131.5-179.5-174.6-120.2000111.8F318 M343 A352 K353 F357 A397F318-Y350 HydrophobicContact CB-CE2 4.1Å; F318-Y350 HydrophobicContact CD1-CE2 4.25Å; F318-Y350 HydrophobicContact CD2-CE2 4.12Å; F318-Y350 AromaticContact CG-CE2 3.88Å; F318-Y350 HydrophobicContact CG-CE2 3.88Å; M343-Y350 HydrophobicContact CE-CD1 4.17Å; M343-Y350 HydrophobicContact CE-CD2 4.21Å; M343-Y350 HydrophobicContact CE-CE1 3.7Å; M343-Y350 HydrophobicContact CE-CE2 3.78Å; M343-Y350 HydrophobicContact CE-CG 4.4Å; Y350-A352 VanDerWaalsContact C-N 3.31Å; Y350-A352 HydrophobicContact CD1-CB 4.05Å; Y350-A352 HydrophobicContact CE1-CB 3.59Å; Y350-A352 PolarHBondContact O-N 3.39Å; Y350-K353 HydrophobicContact CD1-CG 4.24Å; Y350-K353 PolarHBondContact O-N 3.47Å; Y350-K353 VanDerWaalsContact O-N 3.15Å; Y350-K353 VanDerWaalsContact O-O 3.09Å; Y350-F357 HydrophobicContact CG-CD1 4.44Å; Y350-F357 HydrophobicContact CG-CE1 4.36Å; Y350-A397 HydrophobicContact CD2-CB 3.59Å; Y350-A397 HydrophobicContact CE2-CB 4.13Å; Y350-A397 HydrophobicContact CG-CB 4.28Å
351E73.1Confident87.3Confident53 Ų5337.8 Ų37.825%0.24820%0.199CC..THydrogen-bonded Turntrans-62.3-32.2-16870.3-161.6139.500114.8R321 K353 I391R321-E351 IonicContact CZ-OE1 3.63Å; R321-E351 IonicContact NH1-OE1 3.37Å; R321-E351 IonicContact NH2-OE1 2.79Å; R321-E351 PolarHBondContact NH2-OE1 3.12Å; R321-E351 IonicContact NH2-OE2 3.62Å; R321-E351 PolarHBondContact NH2-OE2 2.88Å; E351-K353 PolarHBondContact O-N 3.32Å; E351-I391 WeakPolarHBondContact OE2-CG2 3.46Å
352A67.3Low87.2Confident5 Ų536.9 Ų36.94%0.04120%0.195CC..THydrogen-bonded Turntrans-81.2-2.2-177.300000113.4P332 Y350P332-A352 HydrophobicContact CG-CB 4.34Å; Y350-A352 VanDerWaalsContact C-N 3.31Å; Y350-A352 HydrophobicContact CD1-CB 4.05Å; Y350-A352 HydrophobicContact CE1-CB 3.59Å; Y350-A352 PolarHBondContact O-N 3.39Å
353K68.6Low87.2Confident20 Ų2037.1 Ų37.19%0.08720%0.197CC..  trans-137.2102.1-176.3-61.6-63.9178.9-167.50110.6Y350 E351 G355 F357 D374 Y423Y350-K353 HydrophobicContact CD1-CG 4.24Å; Y350-K353 PolarHBondContact O-N 3.47Å; Y350-K353 VanDerWaalsContact O-N 3.15Å; Y350-K353 VanDerWaalsContact O-O 3.09Å; E351-K353 PolarHBondContact O-N 3.32Å; K353-G355 PolarHBondContact O-N 3.18Å; K353-G355 VanDerWaalsContact O-N 3.15Å; K353-F357 HydrophobicContact CB-CB 4.3Å; K353-D374 WeakPolarHBondContact CA-OD2 3.31Å; K353-Y423 WeakPolarHBondContact CE-OH 3.24Å
354Q61.4Low87.1Confident118 Ų11837 Ų3755%0.55120%0.196SC*.SBendtrans-69.1-10.2179.7-71.8-85.4-60.300113.5D374 D376Q354-D374 PolarHBondContact N-OD2 3.04Å; Q354-D374 VanDerWaalsContact N-OD2 3.12Å; Q354-D376 HydrophobicContact CG-CB 4.45Å
355G66.3Low87.1Confident44 Ų4437.5 Ų37.545%0.45420%0.199SC..SBendtrans-167.3164.3175.200000114.4R96 K353 F357R96-G355 PolarHBondContact NH1-O 3.16Å; K353-G355 PolarHBondContact O-N 3.18Å; K353-G355 VanDerWaalsContact O-N 3.15Å; G355-F357 VanDerWaalsContact C-N 3.32Å; G355-F357 PolarHBondContact O-N 2.89Å
356G75Confident87.1Confident35 Ų3538.7 Ų38.736%0.36121%0.207SC..SBendtrans82.5-7.6173.400000116.6R96R96-G356 WeakPolarHBondContact CD-O 3.13Å
357F87.9Confident87.1Confident10 Ų1040.6 Ų40.64%0.04422%0.219CC..  trans-115.3100.9172.2-174.2-109.7000109.4M343 L345 Y350 K353 G355M343-F357 HydrophobicContact CB-CE2 4.21Å; M343-F357 HydrophobicContact CB-CZ 3.92Å; L345-F357 HydrophobicContact CB-CD1 4.18Å; L345-F357 HydrophobicContact CB-CE1 3.62Å; L345-F357 HydrophobicContact CB-CZ 3.96Å; L345-F357 HydrophobicContact CD1-CE1 4.45Å; L345-F357 HydrophobicContact CD2-CD1 3.89Å; L345-F357 HydrophobicContact CD2-CE1 4.09Å; L345-F357 WeakPolarHBondContact CD2-O 3.26Å; L345-F357 HydrophobicContact CG-CE1 4.28Å; Y350-F357 HydrophobicContact CG-CD1 4.44Å; Y350-F357 HydrophobicContact CG-CE1 4.36Å; K353-F357 HydrophobicContact CB-CB 4.3Å; G355-F357 VanDerWaalsContact C-N 3.32Å; G355-F357 PolarHBondContact O-N 2.89Å
358L94.7Very high87.2Confident79 Ų7937.1 Ų37.141%0.41421%0.211SC..  trans-116.3158.2-170.6-65.9176.3000111.8P99 G360 G361P99-L358 HydrophobicContact CG-CB 3.67Å; P99-L358 HydrophobicContact CG-CD1 4.47Å; L358-G360 PolarHBondContact O-N 3.31Å; L358-G361 PolarHBondContact O-N 2.79Å
359P97.7Very high87.4Confident37 Ų3737.3 Ų37.324%0.2421%0.209CC..THydrogen-bonded Turntrans-53.3122176.9-28.336000112.9P99 L345P99-P359 WeakPolarHBondContact CG-O 3.36Å; L345-P359 HydrophobicContact CD2-CG 4.12Å; L345-P359 HydrophobicContact CG-CG 4.16Å; L345-P359 WeakPolarHBondContact O-CA 3.18Å
360G97.2Very high88Confident0 Ų034.6 Ų34.60%020%0.204CC..THydrogen-bonded Turntrans94.1-4.8-175.200000115.1P99 F100 Y199 L345 L358P99-G360 WeakPolarHBondContact CA-O 3.1Å; F100-G360 VanDerWaalsContact CD2-O 3.23Å; F100-G360 WeakPolarHBondContact CD2-O 2.95Å; F100-G360 PolarHBondContact N-O 3.06Å; Y199-G360 VanDerWaalsContact OH-C 3.29Å; Y199-G360 WeakPolarHBondContact OH-CA 3.42Å; Y199-G360 PolarHBondContact OH-N 3.39Å; Y199-G360 VanDerWaalsContact OH-N 3.1Å; L345-G360 PolarHBondContact O-N 2.77Å; L358-G360 PolarHBondContact O-N 3.31Å
361G96.9Very high88.8Confident0 Ų034.2 Ų34.20%020%0.203CC..  trans-90.4-168.917100000112.2W97 Y199 L358W97-G361 VanDerWaalsContact O-CA 3.24Å; W97-G361 WeakPolarHBondContact O-CA 3.42Å; Y199-G361 VanDerWaalsContact CE1-O 3.29Å; Y199-G361 WeakPolarHBondContact CE1-O 3.16Å; Y199-G361 PolarHBondContact OH-O 3.29Å; L358-G361 PolarHBondContact O-N 2.79Å
362G97.3Very high89.9Confident0 Ų032.1 Ų32.10%020%0.196CC..EExtended strand (participates in β ladder)trans-162.6169.3178.800000112.8R96 W97 M343R96-G362 CarbonylContact C-O 3.52Å; R96-G362 WeakPolarHBondContact CA-O 3.39Å; W97-G362 PolarHBondContact N-O 3.19Å; W97-G362 PolarHBondContact O-N 2.86Å; M343-G362 CarbonylContact O-C 3.57Å; M343-G362 WeakPolarHBondContact O-CA 3.19Å
363S97.6Very high91.2Very high5 Ų531.9 Ų31.94%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-141151.7165.557.90000110.8L95 F342 M343L95-S363 CarbonylContact O-C 3.57Å; L95-S363 WeakPolarHBondContact O-CA 3.38Å; L95-S363 VanDerWaalsContact O-CB 3.29Å; L95-S363 WeakPolarHBondContact O-CB 3.46Å; F342-S363 CarbonylContact C-O 3.53Å; F342-S363 VanDerWaalsContact CA-O 3.31Å; F342-S363 WeakPolarHBondContact CA-O 3.47Å; M343-S363 PolarHBondContact N-O 2.79Å; M343-S363 PolarHBondContact O-N 3.38Å
364L98.2Very high92.2Very high8 Ų831.5 Ų31.54%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-125.8121.1176.1-179.863.4000109.3L95 W97 E341 F342 L406L95-L364 HydrophobicContact CB-CB 4.34Å; L95-L364 PolarHBondContact N-O 3.47Å; L95-L364 PolarHBondContact O-N 2.67Å; W97-L364 HydrophobicContact CH2-CB 3.81Å; W97-L364 HydrophobicContact CH2-CD2 4.41Å; W97-L364 HydrophobicContact CZ3-CB 3.77Å; E341-L364 WeakPolarHBondContact O-CA 3.48Å; F342-L364 HydrophobicContact CB-CD1 4.21Å; L364-L406 HydrophobicContact CD1-CB 3.98Å; L364-L406 HydrophobicContact CD1-CD1 3.78Å; L364-L406 HydrophobicContact CD2-CB 4.28Å
365H98.2Very high93.7Very high12 Ų1226.3 Ų26.36%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-104.8118.3169.4-61.5-77.1000108.5Q94 S340 E341 Y423Q94-H365 PolarHBondContact OE1-CE1 2.65Å; Q94-H365 PolarHBondContact OE1-ND1 2.93Å; Q94-H365 VanDerWaalsContact OE1-ND1 3.14Å; S340-H365 WeakPolarHBondContact CA-O 3.41Å; E341-H365 HydrophobicContact CB-CB 4.36Å; E341-H365 PolarHBondContact N-O 2.91Å; E341-H365 PolarHBondContact O-N 3.44Å; H365-Y423 AromaticContact CE1-CE1 3.76Å; H365-Y423 AromaticContact CE1-CZ 3.8Å; H365-Y423 PolarHBondContact CE1-OH 3.48Å; H365-Y423 PolarHBondContact NE2-OH 3.01Å; H365-Y423 VanDerWaalsContact NE2-OH 3.11Å
366S98.1Very high94.9Very high24 Ų2429 Ų2917%0.16817%0.174CC..  trans-74.4161.6-18062.40000111.4P92 M368 T369P92-S366 PolarHBondContact O-OG 2.82Å; S366-M368 PolarHBondContact O-N 3.19Å; S366-T369 WeakPolarHBondContact O-CB 3.43Å; S366-T369 PolarHBondContact O-N 2.94Å; S366-T369 VanDerWaalsContact O-N 3.07Å; S366-T369 WeakPolarHBondContact OG-CB 3.08Å; S366-T369 PolarHBondContact OG-OG1 3.4Å
367T98.6Very high95.7Very high44 Ų4427.8 Ų27.827%0.2716%0.16SC..THydrogen-bonded Turntrans-49.7129.7-179.8-53.90000111.8C338 M339 T369 S405C338-T367 WeakPolarHBondContact O-CG2 3.32Å; M339-T367 WeakPolarHBondContact O-CA 3.5Å; T367-T369 PolarHBondContact O-N 3.1Å; T367-T369 VanDerWaalsContact O-N 3.08Å; T367-S405 PolarHBondContact OG1-OG 2.78Å
368M98.5Very high96.1Very high100 Ų10029.6 Ų29.649%0.49317%0.168SC..THydrogen-bonded Turntrans63.9-0.8180-64.3-69.2173.800116.6N337 C338 S366N337-M368 WeakPolarHBondContact O-CA 3.35Å; N337-M368 PolarHBondContact O-N 3.03Å; C338-M368 HydrophobicContact CB-CE 4.23Å; S366-M368 PolarHBondContact O-N 3.19Å
369T98.3Very high96.1Very high20 Ų2028.4 Ų28.412%0.12316%0.16CC..  trans-69125.9179.2-69.80000110.7P92 Q94 S366 T367 H371P92-T369 PolarHBondContact O-OG1 2.92Å; Q94-T369 HydrophobicContact CG-CG2 3.57Å; S366-T369 WeakPolarHBondContact O-CB 3.43Å; S366-T369 PolarHBondContact O-N 2.94Å; S366-T369 VanDerWaalsContact O-N 3.07Å; S366-T369 WeakPolarHBondContact OG-CB 3.08Å; S366-T369 PolarHBondContact OG-OG1 3.4Å; T367-T369 PolarHBondContact O-N 3.1Å; T367-T369 VanDerWaalsContact O-N 3.08Å; T369-H371 PolarHBondContact O-N 3.19Å; T369-H371 PolarHBondContact O-ND1 2.97Å
370P98.1Very high96Very high82 Ų8232.2 Ų32.253%0.53217%0.173SC..  trans-61.3132.3179.2-20.731.4000111.8Q94 H335 R336Q94-P370 PolarHBondContact NE2-O 2.68Å; H335-P370 WeakPolarHBondContact O-CA 3.38Å; R336-P370 HydrophobicContact CG-CB 4.03Å; R336-P370 HydrophobicContact CG-CG 3.98Å
371H96.9Very high95.9Very high23 Ų2333.3 Ų33.311%0.10618%0.182CC..BIsolated β-bridgetrans-146176.3172.859.5-86.2000110.3Y334 H335 N337 E341 T369Y334-H371 WeakPolarHBondContact CA-O 3.29Å; H335-H371 AromaticContact CG-CE1 3.93Å; H335-H371 AromaticContact CG-NE2 3.61Å; H335-H371 PolarHBondContact N-O 2.93Å; H335-H371 AromaticContact ND1-CE1 3.53Å; H335-H371 AromaticContact ND1-NE2 3.12Å; H335-H371 PolarHBondContact ND1-NE2 3.06Å; H335-H371 VanDerWaalsContact ND1-NE2 3.12Å; H335-H371 PolarHBondContact O-N 2.99Å; H335-H371 PolarHBondContact O-ND1 2.84Å; N337-H371 PolarHBondContact ND2-CE1 3.06Å; E341-H371 IonicContact OE1-CE1 3.4Å; E341-H371 IonicContact OE1-NE2 2.67Å; E341-H371 IonicContact OE2-CE1 3.43Å; E341-H371 IonicContact OE2-NE2 2.75Å; E341-H371 PolarHBondContact OE2-NE2 3.11Å; T369-H371 PolarHBondContact O-N 3.19Å; T369-H371 PolarHBondContact O-ND1 2.97Å
372G95.7Very high95.9Very high9 Ų936.3 Ų36.39%0.09320%0.203CC..  trans156-170.1-178.500000111.6W427G372-W427 PolarHBondContact O-NE1 3.12Å
373P93.5Very high95.9Very high0 Ų043.7 Ų43.70%024%0.235CC..  trans-56.4145.5176.7-23.734.1000112.4F329 P331 P332 C377 W427F329-P373 HydrophobicContact CE1-CG 3.88Å; F329-P373 HydrophobicContact CZ-CB 4.41Å; F329-P373 HydrophobicContact CZ-CG 4.04Å; P331-P373 HydrophobicContact CB-CG 3.94Å; P332-P373 WeakPolarHBondContact O-CD 3.41Å; P332-P373 WeakPolarHBondContact O-CG 3.32Å; P373-C377 HydrophobicContact CB-CB 3.88Å; P373-W427 VanDerWaalsContact O-CD1 3.29Å; P373-W427 PolarHBondContact O-NE1 2.77Å
374D91.1Very high95.8Very high12 Ų1246 Ų466%0.06425%0.254CS..  trans-68.9169.2168.763.739.9000111.8K353 Q354 D376 C377 F378 C426K353-D374 WeakPolarHBondContact CA-OD2 3.31Å; Q354-D374 PolarHBondContact N-OD2 3.04Å; Q354-D374 VanDerWaalsContact N-OD2 3.12Å; D374-D376 VanDerWaalsContact C-N 3.33Å; D374-D376 PolarHBondContact O-N 3.28Å; D374-D376 PolarHBondContact OD1-N 2.74Å; D374-C377 PolarHBondContact O-N 2.74Å; D374-C377 VanDerWaalsContact OD1-CB 3.24Å; D374-C377 WeakPolarHBondContact OD1-CB 3.24Å; D374-C377 PolarHBondContact OD1-N 2.79Å; D374-F378 PolarHBondContact O-N 3.5Å; D374-C426 HydrophobicContact CB-CB 4.1Å; D374-C426 WeakPolarHBondContact CB-O 3.46Å
375A91.3Very high95.7Very high9 Ų955.4 Ų55.47%0.07430%0.295CS..Hα-helixtrans-59.8-40.3-175.800000113.3F378 E379 C426 P429 L430A375-F378 PolarHBondContact O-N 2.89Å; A375-E379 WeakPolarHBondContact O-CG 3.37Å; A375-E379 PolarHBondContact O-N 3.34Å; A375-C426 PolarHBondContact N-O 3.12Å; A375-P429 HydrophobicContact CB-CB 3.79Å; A375-P429 HydrophobicContact CB-CG 4.37Å; A375-L430 HydrophobicContact CB-CD2 3.96Å; A375-L430 HydrophobicContact CB-CG 4.06Å
376D91.6Very high95.7Very high99 Ų9957.4 Ų57.453%0.52931%0.306SS..Hα-helixtrans-67.2-40.6179.7-70.7-23.6000111.5Q354 D374 K380Q354-D376 HydrophobicContact CG-CB 4.45Å; D374-D376 VanDerWaalsContact C-N 3.33Å; D374-D376 PolarHBondContact O-N 3.28Å; D374-D376 PolarHBondContact OD1-N 2.74Å; D376-K380 WeakPolarHBondContact O-CB 3.39Å; D376-K380 VanDerWaalsContact O-CG 3.22Å; D376-K380 WeakPolarHBondContact O-CG 3.23Å; D376-K380 PolarHBondContact O-N 3.5Å
377C92.8Very high95.7Very high11 Ų1158.9 Ų58.97%0.07432%0.319CS..Hα-helixtrans-61-46.4174.3-172.70000110.9P373 D374 E379 K380 A381P373-C377 HydrophobicContact CB-CB 3.88Å; D374-C377 PolarHBondContact O-N 2.74Å; D374-C377 VanDerWaalsContact OD1-CB 3.24Å; D374-C377 WeakPolarHBondContact OD1-CB 3.24Å; D374-C377 PolarHBondContact OD1-N 2.79Å; C377-E379 PolarHBondContact O-N 3.2Å; C377-K380 PolarHBondContact O-N 2.81Å; C377-A381 VanDerWaalsContact O-CB 3.31Å; C377-A381 WeakPolarHBondContact O-CB 3.33Å; C377-A381 PolarHBondContact O-N 3.11Å
378F95.8Very high95.7Very high48 Ų4861.2 Ų61.221%0.21134%0.335CS..Hα-helixtrans-58-50.1177.4174.3-93.8000112.2F329 Y334 D374 A375 K380 A381 S382 L430 H433F329-F378 AromaticContact CE2-CD2 3.79Å; F329-F378 HydrophobicContact CE2-CD2 3.79Å; F329-F378 HydrophobicContact CE2-CE2 4.37Å; F329-F378 HydrophobicContact CE2-CG 4.48Å; F329-F378 HydrophobicContact CZ-CD2 4.07Å; Y334-F378 HydrophobicContact CE2-CD2 4.02Å; Y334-F378 HydrophobicContact CE2-CE2 4.42Å; D374-F378 PolarHBondContact O-N 3.5Å; A375-F378 PolarHBondContact O-N 2.89Å; F378-K380 PolarHBondContact O-N 2.73Å; F378-A381 PolarHBondContact O-N 3.02Å; F378-S382 VanDerWaalsContact O-CB 3.26Å; F378-S382 WeakPolarHBondContact O-CB 3.43Å; F378-S382 PolarHBondContact O-N 3.1Å; F378-S382 PolarHBondContact O-OG 3.21Å; F378-L430 HydrophobicContact CB-CD2 4.08Å; F378-L430 HydrophobicContact CD1-CD2 4.36Å; F378-L430 HydrophobicContact CG-CD2 4.23Å; F378-H433 AromaticContact CE1-CD2 3.62Å; F378-H433 AromaticContact CE1-NE2 3.71Å
379E95.2Very high95.7Very high54 Ų5460.4 Ų60.425%0.25233%0.331SS..Hα-helixtrans-64.5-41.4-178.2-70.9-64148.300112.3A375 C377 K383 H433A375-E379 WeakPolarHBondContact O-CG 3.37Å; A375-E379 PolarHBondContact O-N 3.34Å; C377-E379 PolarHBondContact O-N 3.2Å; E379-K383 WeakPolarHBondContact O-CD 3.34Å; E379-K383 IonicContact OE2-NZ 2.99Å; E379-K383 PolarHBondContact OE2-NZ 3.16Å; E379-H433 IonicContact OE1-CE1 3.5Å; E379-H433 PolarHBondContact OE1-CE1 3.48Å; E379-H433 IonicContact OE1-NE2 3.94Å; E379-H433 PolarHBondContact OE1-NE2 3.27Å
380K94.8Very high95.6Very high117 Ų11764.3 Ų64.351%0.50934%0.343SS..Hα-helixtrans-64.7-50.5177.4-73173.6-172.7-177.40111.4D376 C377 F378 S382 K383 A384D376-K380 WeakPolarHBondContact O-CB 3.39Å; D376-K380 VanDerWaalsContact O-CG 3.22Å; D376-K380 WeakPolarHBondContact O-CG 3.23Å; D376-K380 PolarHBondContact O-N 3.5Å; C377-K380 PolarHBondContact O-N 2.81Å; F378-K380 PolarHBondContact O-N 2.73Å; K380-S382 PolarHBondContact O-N 2.96Å; K380-K383 PolarHBondContact O-N 3.38Å; K380-A384 PolarHBondContact O-N 2.88Å; K380-A384 VanDerWaalsContact O-N 3.14Å
381A95.8Very high95.4Very high23 Ų2361.7 Ų61.719%0.1932%0.324CS..Hα-helixtrans-68.6-34.5-175.900000112.8F329 P331 C377 F378 K383F329-A381 HydrophobicContact CD2-CB 3.91Å; F329-A381 HydrophobicContact CE2-CB 3.56Å; F329-A381 HydrophobicContact CZ-CB 4.15Å; P331-A381 HydrophobicContact CG-CB 3.47Å; P331-A381 VanDerWaalsContact CG-CB 3.47Å; C377-A381 VanDerWaalsContact O-CB 3.31Å; C377-A381 WeakPolarHBondContact O-CB 3.33Å; C377-A381 PolarHBondContact O-N 3.11Å; F378-A381 PolarHBondContact O-N 3.02Å; A381-K383 PolarHBondContact O-N 3.29Å
382S96.8Very high95.3Very high63 Ų6361.7 Ų61.744%0.44133%0.328SS..Hα-helixtrans-70.5-18.2179.6-57.90000113.8F378 K380F378-S382 VanDerWaalsContact O-CB 3.26Å; F378-S382 WeakPolarHBondContact O-CB 3.43Å; F378-S382 PolarHBondContact O-N 3.1Å; F378-S382 PolarHBondContact O-OG 3.21Å; K380-S382 PolarHBondContact O-N 2.96Å
383K96.3Very high95.3Very high154 Ų15465.5 Ų65.567%0.6735%0.346SS*.Hα-helixtrans-112.5-4.8-177.7-67.1168.4178.8155.90113.2E379 K380 A381 K385E379-K383 WeakPolarHBondContact O-CD 3.34Å; E379-K383 IonicContact OE2-NZ 2.99Å; E379-K383 PolarHBondContact OE2-NZ 3.16Å; K380-K383 PolarHBondContact O-N 3.38Å; A381-K383 PolarHBondContact O-N 3.29Å; K383-K385 PolarHBondContact O-N 2.91Å
384A95.6Very high95.3Very high54 Ų5467.5 Ų67.545%0.44637%0.366SS..  trans-65.5134.4-175.800000111.2K380 L386K380-A384 PolarHBondContact O-N 2.88Å; K380-A384 VanDerWaalsContact O-N 3.14Å; A384-L386 HydrophobicContact CB-CD2 4.49Å; A384-L386 PolarHBondContact O-N 3.23Å
385K97.1Very high95.6Very high206 Ų20667.6 Ų67.690%0.89637%0.367SS*.  trans-74.3107.1164.4-177.3174.1-179.3175.20108.1K383 A387K383-K385 PolarHBondContact O-N 2.91Å; K385-A387 PolarHBondContact O-N 3.1Å
386L97.7Very high95.9Very high53 Ų5367.4 Ų67.428%0.27737%0.365SS..  trans-68.8130.6-174.6-60.4175.8000111.4K327 R330 A384K327-L386 VanDerWaalsContact N-CD1 3.26Å; R330-L386 HydrophobicContact CG-CD2 4.38Å; A384-L386 HydrophobicContact CB-CD2 4.49Å; A384-L386 PolarHBondContact O-N 3.23Å
387A98.1Very high96.2Very high55 Ų5562.7 Ų62.746%0.45534%0.34SS..  trans-149.3163.2171.500000108.4R330 K385 E389R330-A387 PolarHBondContact NH1-O 3.2Å; R330-A387 PolarHBondContact NH2-O 2.94Å; K385-A387 PolarHBondContact O-N 3.1Å; A387-E389 PolarHBondContact O-N 2.85Å
388P98.6Very high96.5Very high94 Ų9462.1 Ų62.161%0.6134%0.336SS*.  trans-55.1127.8171.8-27.436.6000111.5W322 V324W322-P388 HydrophobicContact CE3-CB 4.31Å; W322-P388 HydrophobicContact CZ3-CB 4.08Å; V324-P388 HydrophobicContact CG1-CB 4.13Å
389E98.1Very high96.7Very high83 Ų8360 Ų6039%0.38833%0.327SS..EExtended strand (participates in β ladder)trans-136.5151.7-178.371.1-172.1131.100111.9W322 G323 R330 A387 I391W322-E389 VanDerWaalsContact CE3-O 3.25Å; G323-E389 PolarHBondContact N-O 2.84Å; G323-E389 PolarHBondContact O-N 2.94Å; R330-E389 WeakPolarHBondContact CD-OE1 3.41Å; R330-E389 IonicContact CZ-OE1 3.38Å; R330-E389 IonicContact NH1-OE1 2.68Å; R330-E389 PolarHBondContact NH1-OE1 3.16Å; A387-E389 PolarHBondContact O-N 2.85Å; E389-I391 HydrophobicContact CG-CD1 3.63Å; E389-I391 HydrophobicContact CG-CG1 4.03Å
390R97.8Very high96.8Very high102 Ų10257.5 Ų57.539%0.38532%0.315SS..EExtended strand (participates in β ladder)trans-87.5124.8170.7-70.4-64.9-60.1169.71.2109.4W322 D393W322-R390 VanDerWaalsContact CD1-NH1 3.25Å; W322-R390 HydrophobicContact CD2-CG 4.49Å; W322-R390 HydrophobicContact CE3-CG 4.37Å; W322-R390 HydrophobicContact CH2-CG 3.97Å; W322-R390 HydrophobicContact CZ2-CG 4.1Å; W322-R390 HydrophobicContact CZ3-CG 4.11Å; R390-D393 VanDerWaalsContact CB-OD2 3.25Å; R390-D393 WeakPolarHBondContact CB-OD2 2.94Å; R390-D393 IonicContact CZ-OD1 3.55Å; R390-D393 IonicContact CZ-OD2 3.93Å; R390-D393 IonicContact NE-OD1 3.41Å; R390-D393 PolarHBondContact NE-OD1 3.02Å; R390-D393 IonicContact NE-OD2 3.95Å; R390-D393 PolarHBondContact NE-OD2 2.87Å; R390-D393 VanDerWaalsContact NE-OD2 3.11Å; R390-D393 IonicContact NH2-OD1 2.83Å; R390-D393 PolarHBondContact NH2-OD1 2.94Å; R390-D393 IonicContact NH2-OD2 3.82Å
391I93.8Very high97Very high27 Ų2753 Ų5314%0.13830%0.296CS..EExtended strand (participates in β ladder)trans-109.8144.6179.9-61.3-59.5000109.4P320 R321 E351 E389 D393P320-I391 CarbonylContact C-O 3.57Å; P320-I391 VanDerWaalsContact CA-O 3.3Å; P320-I391 WeakPolarHBondContact CA-O 3.39Å; R321-I391 HydrophobicContact CG-CB 4.09Å; R321-I391 HydrophobicContact CG-CG2 4.41Å; R321-I391 PolarHBondContact N-O 2.85Å; R321-I391 PolarHBondContact O-N 3.05Å; E351-I391 WeakPolarHBondContact OE2-CG2 3.46Å; E389-I391 HydrophobicContact CG-CD1 3.63Å; E389-I391 HydrophobicContact CG-CG1 4.03Å; I391-D393 PolarHBondContact O-N 2.78Å
392A93.3Very high97.2Very high22 Ų2252 Ų5218%0.18229%0.287CS..SBendtrans57.818.7172.700000115.2P320 G394 T395P320-A392 WeakPolarHBondContact CG-O 3.26Å; A392-G394 PolarHBondContact O-N 3.11Å; A392-T395 HydrophobicContact CB-CG2 4.44Å; A392-T395 WeakPolarHBondContact O-CA 3.43Å; A392-T395 WeakPolarHBondContact O-CB 3.3Å; A392-T395 PolarHBondContact O-N 3.5Å
393D95.8Very high97.3Very high90 Ų9050.4 Ų50.448%0.48128%0.277SS..THydrogen-bonded Turntrans-57.9126.9169.3-81.8-24.6000109.5P320 R390 I391 T395P320-D393 WeakPolarHBondContact CB-OD1 3.41Å; R390-D393 VanDerWaalsContact CB-OD2 3.25Å; R390-D393 WeakPolarHBondContact CB-OD2 2.94Å; R390-D393 IonicContact CZ-OD1 3.55Å; R390-D393 IonicContact CZ-OD2 3.93Å; R390-D393 IonicContact NE-OD1 3.41Å; R390-D393 PolarHBondContact NE-OD1 3.02Å; R390-D393 IonicContact NE-OD2 3.95Å; R390-D393 PolarHBondContact NE-OD2 2.87Å; R390-D393 VanDerWaalsContact NE-OD2 3.11Å; R390-D393 IonicContact NH2-OD1 2.83Å; R390-D393 PolarHBondContact NH2-OD1 2.94Å; R390-D393 IonicContact NH2-OD2 3.82Å; I391-D393 PolarHBondContact O-N 2.78Å; D393-T395 VanDerWaalsContact C-N 3.26Å; D393-T395 PolarHBondContact O-N 3.37Å
394G94.9Very high97.4Very high41 Ų4145.5 Ų45.542%0.42326%0.257SS..THydrogen-bonded Turntrans76.84.6-173.100000115.5G348 A392G348-G394 WeakPolarHBondContact CA-O 3.4Å; A392-G394 PolarHBondContact O-N 3.11Å
395T95.6Very high97.5Very high14 Ų1446.6 Ų46.69%0.08626%0.262CS..  trans-117.3146.2179.1-61.60000111.5L345 R347 G348 H349 A392 D393L345-T395 HydrophobicContact CD1-CG2 4.12Å; R347-T395 CarbonylContact O-C 3.59Å; R347-T395 VanDerWaalsContact O-CA 3.29Å; R347-T395 WeakPolarHBondContact O-CA 3.04Å; G348-T395 WeakPolarHBondContact CA-OG1 3.29Å; H349-T395 PolarHBondContact N-OG1 3.11Å; H349-T395 WeakPolarHBondContact O-CG2 3.44Å; H349-T395 PolarHBondContact O-OG1 2.85Å; A392-T395 HydrophobicContact CB-CG2 4.44Å; A392-T395 WeakPolarHBondContact O-CA 3.43Å; A392-T395 WeakPolarHBondContact O-CB 3.3Å; A392-T395 PolarHBondContact O-N 3.5Å; D393-T395 VanDerWaalsContact C-N 3.26Å; D393-T395 PolarHBondContact O-N 3.37Å
396M98.5Very high97.6Very high5 Ų537.5 Ų37.53%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-145.897.5166.7-173.664.467.900109.3N177 L279 I317 P319 I346 R347N177-M396 VanDerWaalsContact OD1-CE 3.26Å; N177-M396 WeakPolarHBondContact OD1-CE 3.2Å; N177-M396 WeakPolarHBondContact OD1-CG 3.4Å; L279-M396 HydrophobicContact CB-CE 3.96Å; L279-M396 HydrophobicContact CB-SD 4.39Å; L279-M396 HydrophobicContact CD1-CG 3.93Å; L279-M396 HydrophobicContact CD1-SD 4.25Å; I317-M396 HydrophobicContact CB-SD 4.17Å; I317-M396 HydrophobicContact CD1-SD 4.36Å; P319-M396 HydrophobicContact CB-CE 3.79Å; P319-M396 HydrophobicContact CB-SD 4.05Å; I346-M396 HydrophobicContact CB-CB 4.26Å; I346-M396 WeakPolarHBondContact CB-O 3.5Å; I346-M396 HydrophobicContact CD1-CG 3.89Å; I346-M396 PolarHBondContact N-O 3.42Å; R347-M396 PolarHBondContact O-N 2.86Å
397A98.3Very high97.7Very high0 Ų036.6 Ų36.60%022%0.223CC..EExtended strand (participates in β ladder)trans-91.9163.1166.800000109.7F318 M343 G344 L345 Y350F318-A397 HydrophobicContact CB-CB 4.18Å; F318-A397 HydrophobicContact CD2-CB 4.1Å; F318-A397 PolarHBondContact N-O 2.94Å; M343-A397 HydrophobicContact CE-CB 4.24Å; G344-A397 WeakPolarHBondContact O-CA 3.48Å; L345-A397 HydrophobicContact CD1-CB 3.86Å; Y350-A397 HydrophobicContact CD2-CB 3.59Å; Y350-A397 HydrophobicContact CE2-CB 4.13Å; Y350-A397 HydrophobicContact CG-CB 4.28Å
398F98.9Very high97.7Very high0 Ų034.7 Ų34.70%021%0.206CC..EExtended strand (participates in β ladder)trans-150.3165.917571.6-89.1000110.5V157 Y199 F315 V316 I317 F342 M343 G344 I346 F400V157-F398 HydrophobicContact CG1-CD1 4.27Å; V157-F398 HydrophobicContact CG1-CE1 4.01Å; V157-F398 HydrophobicContact CG1-CZ 4.4Å; Y199-F398 AromaticContact CD1-CZ 3.91Å; Y199-F398 HydrophobicContact CD1-CZ 3.91Å; Y199-F398 AromaticContact CD2-CE1 3.56Å; Y199-F398 HydrophobicContact CD2-CE1 3.56Å; Y199-F398 AromaticContact CD2-CZ 3.44Å; Y199-F398 HydrophobicContact CD2-CZ 3.44Å; Y199-F398 VanDerWaalsContact CD2-CZ 3.44Å; Y199-F398 HydrophobicContact CE1-CZ 4.27Å; Y199-F398 AromaticContact CE2-CE1 3.59Å; Y199-F398 HydrophobicContact CE2-CE1 3.59Å; Y199-F398 AromaticContact CE2-CZ 3.85Å; Y199-F398 HydrophobicContact CE2-CZ 3.85Å; Y199-F398 HydrophobicContact CG-CE1 4.09Å; Y199-F398 AromaticContact CG-CZ 3.47Å; Y199-F398 HydrophobicContact CG-CZ 3.47Å; Y199-F398 VanDerWaalsContact CG-CZ 3.47Å; F315-F398 HydrophobicContact CD2-CB 4.47Å; F315-F398 HydrophobicContact CD2-CD2 4.13Å; F315-F398 HydrophobicContact CE2-CB 3.66Å; F315-F398 AromaticContact CE2-CD2 3.63Å; F315-F398 HydrophobicContact CE2-CD2 3.63Å; F315-F398 AromaticContact CE2-CG 3.77Å; F315-F398 HydrophobicContact CE2-CG 3.77Å; F315-F398 HydrophobicContact CZ-CB 4.3Å; V316-F398 CarbonylContact O-C 3.49Å; V316-F398 WeakPolarHBondContact O-CA 3.31Å; V316-F398 VanDerWaalsContact O-CB 3.25Å; V316-F398 WeakPolarHBondContact O-CB 3.46Å; I317-F398 HydrophobicContact CG2-CB 4.12Å; F342-F398 HydrophobicContact CE1-CE2 4.35Å; F342-F398 HydrophobicContact CE1-CZ 4.49Å; M343-F398 WeakPolarHBondContact CA-O 3.21Å; M343-F398 VanDerWaalsContact SD-O 3.37Å; G344-F398 PolarHBondContact N-O 3.24Å; G344-F398 PolarHBondContact O-N 3.24Å; I346-F398 HydrophobicContact CD1-CD1 4.2Å; I346-F398 HydrophobicContact CG1-CD1 3.89Å; I346-F398 HydrophobicContact CG1-CE1 4.04Å; F398-F400 HydrophobicContact CD2-CD1 4.11Å; F398-F400 AromaticContact CD2-CE1 3.86Å; F398-F400 HydrophobicContact CD2-CE1 3.86Å; F398-F400 HydrophobicContact CD2-CZ 4.1Å; F398-F400 HydrophobicContact CE2-CD1 4.08Å; F398-F400 HydrophobicContact CE2-CD2 4.03Å; F398-F400 AromaticContact CE2-CE1 3.69Å; F398-F400 HydrophobicContact CE2-CE1 3.69Å; F398-F400 AromaticContact CE2-CE2 3.64Å; F398-F400 HydrophobicContact CE2-CE2 3.64Å; F398-F400 HydrophobicContact CE2-CG 4.24Å; F398-F400 AromaticContact CE2-CZ 3.45Å; F398-F400 HydrophobicContact CE2-CZ 3.45Å; F398-F400 VanDerWaalsContact CE2-CZ 3.45Å; F398-F400 HydrophobicContact CZ-CE2 4.36Å; F398-F400 HydrophobicContact CZ-CZ 4.23Å
399M98.9Very high97.7Very high3 Ų330.3 Ų30.32%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-129.4138.8175.3-168.9163.960.700110.2V316 F318 E341 F342 M343 E401V316-M399 HydrophobicContact CB-CB 4.23Å; V316-M399 HydrophobicContact CB-CE 4.37Å; V316-M399 HydrophobicContact CG2-CE 4.4Å; V316-M399 PolarHBondContact N-O 3.21Å; V316-M399 PolarHBondContact O-N 3.36Å; F318-M399 HydrophobicContact CE2-CB 4.11Å; E341-M399 HydrophobicContact CB-CG 4.34Å; E341-M399 HydrophobicContact CB-SD 3.67Å; E341-M399 HydrophobicContact CG-SD 3.64Å; F342-M399 CarbonylContact O-C 3.45Å; F342-M399 VanDerWaalsContact O-CA 3.26Å; F342-M399 WeakPolarHBondContact O-CA 3.44Å; M343-M399 HydrophobicContact CG-CG 4.37Å; M343-M399 HydrophobicContact CG-SD 4.45Å; M343-M399 HydrophobicContact SD-CB 3.65Å; M343-M399 HydrophobicContact SD-CG 4.01Å; M343-M399 HydrophobicContact SD-SD 4.11Å; M399-E401 HydrophobicContact CE-CB 4.13Å; M399-E401 HydrophobicContact CE-CG 4.47Å; M399-E401 VanDerWaalsContact CE-OE2 3.29Å; M399-E401 WeakPolarHBondContact CE-OE2 3.37Å; M399-E401 HydrophobicContact CG-CB 4.31Å; M399-E401 HydrophobicContact SD-CB 4.46Å
400F98.9Very high97.6Very high1 Ų132 Ų320%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-101.5102.8154.7-56.1-37.4000106.3I133 L155 V157 L201 D314 F315 F342 F398I133-F400 HydrophobicContact CD1-CB 3.97Å; I133-F400 HydrophobicContact CD1-CD2 3.92Å; I133-F400 HydrophobicContact CD1-CG 4.45Å; I133-F400 HydrophobicContact CG1-CD2 3.99Å; I133-F400 HydrophobicContact CG2-CD2 4.13Å; I133-F400 HydrophobicContact CG2-CE2 4.34Å; L155-F400 HydrophobicContact CD2-CE1 4Å; L155-F400 HydrophobicContact CD2-CZ 4.26Å; V157-F400 HydrophobicContact CG2-CE1 4.19Å; V157-F400 HydrophobicContact CG2-CZ 3.79Å; L201-F400 HydrophobicContact CB-CD1 4Å; L201-F400 HydrophobicContact CB-CD2 3.97Å; L201-F400 HydrophobicContact CB-CE1 3.81Å; L201-F400 HydrophobicContact CB-CE2 3.79Å; L201-F400 HydrophobicContact CB-CG 4.09Å; L201-F400 HydrophobicContact CB-CZ 3.7Å; L201-F400 HydrophobicContact CD1-CB 4.44Å; L201-F400 HydrophobicContact CD1-CG 4.39Å; L201-F400 HydrophobicContact CD2-CB 4.41Å; L201-F400 HydrophobicContact CD2-CD1 3.78Å; L201-F400 HydrophobicContact CD2-CE1 4.21Å; L201-F400 HydrophobicContact CD2-CG 4.11Å; L201-F400 HydrophobicContact CG-CD1 4.41Å; L201-F400 HydrophobicContact CG-CG 4.43Å; D314-F400 WeakPolarHBondContact O-CA 3.34Å; F315-F400 HydrophobicContact CB-CD1 4.44Å; F315-F400 AromaticContact CD2-CD1 3.65Å; F315-F400 HydrophobicContact CD2-CD1 3.65Å; F315-F400 AromaticContact CD2-CE1 3.35Å; F315-F400 HydrophobicContact CD2-CE1 3.35Å; F315-F400 HydrophobicContact CE2-CD1 4.42Å; F315-F400 AromaticContact CE2-CE1 3.81Å; F315-F400 HydrophobicContact CE2-CE1 3.81Å; F315-F400 HydrophobicContact CG-CD1 4.47Å; F315-F400 HydrophobicContact CG-CE1 4.23Å; F342-F400 HydrophobicContact CB-CB 4.43Å; F342-F400 HydrophobicContact CD1-CB 4.29Å; F342-F400 AromaticContact CD1-CD2 3.58Å; F342-F400 HydrophobicContact CD1-CD2 3.58Å; F342-F400 HydrophobicContact CD1-CE2 4.32Å; F342-F400 HydrophobicContact CD1-CG 4.24Å; F342-F400 AromaticContact CE1-CD2 3.99Å; F342-F400 HydrophobicContact CE1-CD2 3.99Å; F342-F400 HydrophobicContact CE1-CE2 4.28Å; F342-F400 PolarHBondContact N-O 3.28Å; F342-F400 PolarHBondContact O-N 3.02Å; F398-F400 HydrophobicContact CD2-CD1 4.11Å; F398-F400 AromaticContact CD2-CE1 3.86Å; F398-F400 HydrophobicContact CD2-CE1 3.86Å; F398-F400 HydrophobicContact CD2-CZ 4.1Å; F398-F400 HydrophobicContact CE2-CD1 4.08Å; F398-F400 HydrophobicContact CE2-CD2 4.03Å; F398-F400 AromaticContact CE2-CE1 3.69Å; F398-F400 HydrophobicContact CE2-CE1 3.69Å; F398-F400 AromaticContact CE2-CE2 3.64Å; F398-F400 HydrophobicContact CE2-CE2 3.64Å; F398-F400 HydrophobicContact CE2-CG 4.24Å; F398-F400 AromaticContact CE2-CZ 3.45Å; F398-F400 HydrophobicContact CE2-CZ 3.45Å; F398-F400 VanDerWaalsContact CE2-CZ 3.45Å; F398-F400 HydrophobicContact CZ-CE2 4.36Å; F398-F400 HydrophobicContact CZ-CZ 4.23Å
401E98.6Very high97.7Very high24 Ų2428.2 Ų28.211%0.11217%0.169CC..EExtended strand (participates in β ladder)trans-92.5146.2171.463177.1-9900109.7A313 D314 M339 S340 M399A313-E401 CarbonylContact C-O 3.51Å; A313-E401 WeakPolarHBondContact CA-O 3.43Å; D314-E401 HydrophobicContact CB-CG 3.57Å; D314-E401 PolarHBondContact N-O 2.95Å; D314-E401 PolarHBondContact O-N 3.42Å; D314-E401 VanDerWaalsContact O-N 3.09Å; M339-E401 HydrophobicContact CE-CG 4.47Å; S340-E401 CarbonylContact O-C 3.57Å; S340-E401 WeakPolarHBondContact O-CA 3.49Å; M399-E401 HydrophobicContact CE-CB 4.13Å; M399-E401 HydrophobicContact CE-CG 4.47Å; M399-E401 VanDerWaalsContact CE-OE2 3.29Å; M399-E401 WeakPolarHBondContact CE-OE2 3.37Å; M399-E401 HydrophobicContact CG-CB 4.31Å; M399-E401 HydrophobicContact SD-CB 4.46Å
402S98.9Very high97.8Very high0 Ų027 Ų270%016%0.162CC..EExtended strand (participates in β ladder)trans-138.1140.3-179.4151.80000111L131 I312 M339 S340 L404L131-S402 VanDerWaalsContact CD2-OG 3.25Å; L131-S402 WeakPolarHBondContact CD2-OG 3.49Å; I312-S402 WeakPolarHBondContact O-CA 3.17Å; I312-S402 WeakPolarHBondContact O-CB 3.25Å; M339-S402 CarbonylContact C-O 3.54Å; M339-S402 VanDerWaalsContact CA-O 3.25Å; M339-S402 WeakPolarHBondContact CA-O 3.29Å; M339-S402 WeakPolarHBondContact CB-O 3.39Å; S340-S402 PolarHBondContact N-O 3.15Å; S340-S402 PolarHBondContact O-N 2.9Å; S402-L404 VanDerWaalsContact C-N 3.26Å; S402-L404 PolarHBondContact O-N 3.2Å; S402-L404 PolarHBondContact OG-N 3.35Å; S402-L404 PolarHBondContact OG-O 3.27Å
403S98.8Very high97.8Very high31 Ų3128.8 Ų28.822%0.21717%0.169CC..SBendtrans-73.9-15.7173.156.90000114A311A311-S403 WeakPolarHBondContact O-CB 3.39Å; A311-S403 PolarHBondContact O-OG 2.98Å
404L98.8Very high97.3Very high51 Ų5132.6 Ų32.627%0.26718%0.181SC..SBendtrans-89155.2169-59.1-176.1000110.6A122 I312 S340 S402 L406A122-L404 HydrophobicContact CB-CB 3.58Å; A122-L404 HydrophobicContact CB-CD1 3.91Å; A122-L404 HydrophobicContact CB-CG 4.42Å; I312-L404 HydrophobicContact CD1-CD1 3.69Å; I312-L404 HydrophobicContact CD1-CG 3.8Å; S340-L404 PolarHBondContact OG-O 3.23Å; S402-L404 VanDerWaalsContact C-N 3.26Å; S402-L404 PolarHBondContact O-N 3.2Å; S402-L404 PolarHBondContact OG-N 3.35Å; S402-L404 PolarHBondContact OG-O 3.27Å; L404-L406 PolarHBondContact O-N 3.1Å
405S98.8Very high96.6Very high77 Ų7733.6 Ų33.654%0.53819%0.185SC..  trans-76.6106.1172.1-58.80000110.5A122 T367 A407A122-S405 WeakPolarHBondContact CB-O 3.41Å; T367-S405 PolarHBondContact OG1-OG 2.78Å; S405-A407 PolarHBondContact O-N 3.11Å
406L98.8Very high95.8Very high15 Ų1533.7 Ų33.78%0.07919%0.187CC..PPolyproline II helixtrans-63121.4176.4-73.3167.9000111.2L131 I133 S340 F342 L364 L404L131-L406 HydrophobicContact CD1-CD2 3.94Å; L131-L406 HydrophobicContact CD2-CD2 4.43Å; L131-L406 HydrophobicContact CG-CD2 4.09Å; I133-L406 HydrophobicContact CD1-CD1 3.81Å; I133-L406 HydrophobicContact CD1-CD2 4.36Å; S340-L406 VanDerWaalsContact OG-CG 3.31Å; S340-L406 WeakPolarHBondContact OG-CG 3.44Å; S340-L406 PolarHBondContact OG-N 3.46Å; F342-L406 HydrophobicContact CB-CD1 4.28Å; L364-L406 HydrophobicContact CD1-CB 3.98Å; L364-L406 HydrophobicContact CD1-CD1 3.78Å; L364-L406 HydrophobicContact CD2-CB 4.28Å; L404-L406 PolarHBondContact O-N 3.1Å
407A98.8Very high95.3Very high34 Ų3442.6 Ų42.628%0.28123%0.225SC..EExtended strand (participates in β ladder)trans-99132.4174.800000110.2W85 C120 G121 S405W85-A407 HydrophobicContact CB-CB 4.11Å; C120-A407 CarbonylContact C-O 3.55Å; C120-A407 WeakPolarHBondContact CA-O 3.26Å; C120-A407 WeakPolarHBondContact CB-O 3.45Å; G121-A407 PolarHBondContact N-O 3.11Å; G121-A407 PolarHBondContact O-N 3.25Å; S405-A407 PolarHBondContact O-N 3.11Å
408V98.4Very high94.9Very high15 Ų1543.2 Ų43.29%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-77141.7179.6690000111V88 L95 W97 L119 L413V88-V408 HydrophobicContact CG1-CG1 4.36Å; V88-V408 WeakPolarHBondContact CG2-O 3.25Å; L95-V408 HydrophobicContact CD1-CB 4.09Å; L95-V408 HydrophobicContact CD1-CG1 4.08Å; L95-V408 HydrophobicContact CD1-CG2 4.24Å; W97-V408 HydrophobicContact CZ2-CG2 3.92Å; L119-V408 WeakPolarHBondContact O-CG2 3.43Å; V408-L413 HydrophobicContact CG1-CB 4.03Å; V408-L413 HydrophobicContact CG1-CD1 4.37Å; V408-L413 HydrophobicContact CG2-CB 4.23Å
409T98.6Very high94.7Very high2 Ų245.3 Ų45.31%0.01224%0.24CC..PPolyproline II helixtrans-79.3168175.267.50000111.4T82 W85 T118 L119 W411 G412 L413T82-T409 HydrophobicContact CG2-CG2 3.58Å; W85-T409 HydrophobicContact CE3-CG2 4.33Å; W85-T409 HydrophobicContact CZ3-CG2 3.83Å; T118-T409 HydrophobicContact CG2-CG2 3.98Å; T118-T409 WeakPolarHBondContact O-CG2 3.29Å; T118-T409 PolarHBondContact O-OG1 3.21Å; L119-T409 PolarHBondContact O-N 3.39Å; L119-T409 PolarHBondContact O-OG1 2.7Å; T409-W411 PolarHBondContact O-N 3.3Å; T409-W411 PolarHBondContact OG1-N 2.76Å; T409-G412 PolarHBondContact O-N 3.31Å; T409-G412 VanDerWaalsContact O-N 3.15Å; T409-G412 PolarHBondContact OG1-N 3.43Å; T409-L413 PolarHBondContact O-N 3.29Å
410K97.5Very high94.4Very high117 Ų11746.6 Ų46.651%0.50925%0.247SC..Hα-helixtrans-55.8-36.9170.7-75.4172.4-170.7137.60112.7E87 V88 K414 A415E87-K410 HydrophobicContact CG-CD 4.2Å; E87-K410 HydrophobicContact CG-CG 3.93Å; E87-K410 WeakPolarHBondContact O-CE 3.11Å; E87-K410 PolarHBondContact OE1-N 2.66Å; E87-K410 VanDerWaalsContact OE2-CD 3.32Å; E87-K410 WeakPolarHBondContact OE2-CD 3.26Å; E87-K410 WeakPolarHBondContact OE2-CE 3.31Å; E87-K410 IonicContact OE2-NZ 3.93Å; E87-K410 PolarHBondContact OE2-NZ 2.74Å; V88-K410 HydrophobicContact CG2-CG 3.94Å; K410-K414 PolarHBondContact O-N 3.17Å; K410-K414 VanDerWaalsContact O-N 3.08Å; K410-A415 PolarHBondContact O-N 3.06Å
411W97.8Very high94Very high24 Ų2454.4 Ų54.49%0.09128%0.284CS..Iπ-helixtrans-67.7-46.2177.6178.190.2000111.2H80 F100 H117 L119 I135 L137 T409 L413 A415 S416H80-W411 AromaticContact ND1-CD1 3.89Å; F100-W411 AromaticContact CD1-CH2 3.47Å; F100-W411 HydrophobicContact CD1-CH2 3.47Å; F100-W411 VanDerWaalsContact CD1-CH2 3.47Å; F100-W411 HydrophobicContact CD1-CZ2 4.11Å; F100-W411 HydrophobicContact CD1-CZ3 4.27Å; F100-W411 AromaticContact CE1-CH2 3.63Å; F100-W411 HydrophobicContact CE1-CH2 3.63Å; F100-W411 AromaticContact CE1-CZ3 3.96Å; F100-W411 HydrophobicContact CE1-CZ3 3.96Å; F100-W411 HydrophobicContact CG-CH2 4.23Å; H117-W411 HydrophobicContact CB-CD2 3.79Å; H117-W411 HydrophobicContact CB-CE3 3.81Å; H117-W411 HydrophobicContact CB-CH2 3.65Å; H117-W411 HydrophobicContact CB-CZ2 3.62Å; H117-W411 HydrophobicContact CB-CZ3 3.74Å; H117-W411 AromaticContact CE1-NE1 3.77Å; H117-W411 AromaticContact CG-CE2 3.68Å; H117-W411 AromaticContact CG-CZ2 3.66Å; H117-W411 AromaticContact CG-NE1 3.95Å; H117-W411 AromaticContact ND1-CD1 3.64Å; H117-W411 AromaticContact ND1-CD2 3.97Å; H117-W411 AromaticContact ND1-CE2 3.32Å; H117-W411 VanDerWaalsContact ND1-CE2 3.32Å; H117-W411 AromaticContact ND1-CZ2 3.71Å; H117-W411 AromaticContact ND1-NE1 3.11Å; H117-W411 PolarHBondContact ND1-NE1 2.81Å; H117-W411 VanDerWaalsContact ND1-NE1 3.11Å; L119-W411 HydrophobicContact CB-CZ3 4.29Å; L119-W411 HydrophobicContact CD1-CE3 4.35Å; L119-W411 HydrophobicContact CD1-CZ3 3.89Å; I135-W411 HydrophobicContact CB-CH2 4.21Å; I135-W411 HydrophobicContact CG1-CH2 4.24Å; I135-W411 HydrophobicContact CG1-CZ3 4.28Å; L137-W411 HydrophobicContact CD1-CZ2 4.13Å; T409-W411 PolarHBondContact O-N 3.3Å; T409-W411 PolarHBondContact OG1-N 2.76Å; W411-L413 PolarHBondContact O-N 2.74Å; W411-A415 HydrophobicContact CB-CB 4.32Å; W411-A415 HydrophobicContact CG-CB 4.27Å; W411-A415 PolarHBondContact O-N 3.28Å; W411-S416 WeakPolarHBondContact O-CB 3.49Å; W411-S416 PolarHBondContact O-N 3.49Å
412G96.3Very high93.7Very high0 Ų056.8 Ų56.80%030%0.297CS..Iπ-helixtrans-59.3-46.2177.800000112.7W97 T409 S416W97-G412 PolarHBondContact NE1-O 3.3Å; T409-G412 PolarHBondContact O-N 3.31Å; T409-G412 VanDerWaalsContact O-N 3.15Å; T409-G412 PolarHBondContact OG1-N 3.43Å; G412-S416 PolarHBondContact O-OG 3.48Å
413L93.1Very high93.5Very high60 Ų6057 Ų5731%0.31430%0.298SS..Iπ-helixtrans-72.6-42.6-176.1-174.761.2000113.1V88 V408 T409 W411 L419V88-L413 HydrophobicContact CG1-CD2 3.67Å; V408-L413 HydrophobicContact CG1-CB 4.03Å; V408-L413 HydrophobicContact CG1-CD1 4.37Å; V408-L413 HydrophobicContact CG2-CB 4.23Å; T409-L413 PolarHBondContact O-N 3.29Å; W411-L413 PolarHBondContact O-N 2.74Å; L413-L419 HydrophobicContact CD1-CD2 4.19Å
414K86.5Confident93.1Very high171 Ų17161.4 Ų61.474%0.74331%0.311SS*.Iπ-helixtrans-129.1-48.5-167.9-167.2173.3-176174.40114.5K410 S416 K417K410-K414 PolarHBondContact O-N 3.17Å; K410-K414 VanDerWaalsContact O-N 3.08Å; K414-S416 VanDerWaalsContact C-N 3.28Å; K414-S416 PolarHBondContact O-N 2.98Å; K414-K417 PolarHBondContact O-N 3.49Å
415A79.1Confident92.9Very high61 Ų6163.3 Ų63.350%0.50432%0.317SS..Iπ-helixtrans-71.2-24.2-168.800000113.4K410 W411 K417K410-A415 PolarHBondContact O-N 3.06Å; W411-A415 HydrophobicContact CB-CB 4.32Å; W411-A415 HydrophobicContact CG-CB 4.27Å; W411-A415 PolarHBondContact O-N 3.28Å; A415-K417 VanDerWaalsContact C-N 3.25Å; A415-K417 PolarHBondContact O-N 2.95Å
416S79.9Confident92.5Very high17 Ų1761 Ų6112%0.11930%0.301CS..THydrogen-bonded Turntrans-65-26.9175.170.70000113.2W411 G412 K414 C418W411-S416 WeakPolarHBondContact O-CB 3.49Å; W411-S416 PolarHBondContact O-N 3.49Å; G412-S416 PolarHBondContact O-OG 3.48Å; K414-S416 VanDerWaalsContact C-N 3.28Å; K414-S416 PolarHBondContact O-N 2.98Å; S416-C418 PolarHBondContact O-N 3.43Å; S416-C418 PolarHBondContact O-SG 3.49Å; S416-C418 PolarHBondContact OG-N 3.49Å
417K87.5Confident92.3Very high191 Ų19162 Ų6283%0.8330%0.303SS*.  trans51.217.3-171.2-57.5-178.1-178.4178.50114.4K414 A415K414-K417 PolarHBondContact O-N 3.49Å; A415-K417 VanDerWaalsContact C-N 3.25Å; A415-K417 PolarHBondContact O-N 2.95Å
418C91Very high92.1Very high13 Ų1366.2 Ų66.29%0.08832%0.317CS..  trans-98.8-9.2-176.7-70.10000112.1W97 K98 F100 S416W97-C418 CarbonylContact C-O 3.56Å; W97-C418 WeakPolarHBondContact CA-O 3.17Å; W97-C418 HydrophobicContact CB-CB 4.24Å; K98-C418 HydrophobicContact CB-CB 4.46Å; K98-C418 PolarHBondContact N-O 2.97Å; F100-C418 HydrophobicContact CD1-CB 4.2Å; F100-C418 HydrophobicContact CE1-CB 4.36Å; S416-C418 PolarHBondContact O-N 3.43Å; S416-C418 PolarHBondContact O-SG 3.49Å; S416-C418 PolarHBondContact OG-N 3.49Å
419L93.1Very high92Very high45 Ų4569.2 Ų69.224%0.23634%0.337CS..BIsolated β-bridgetrans-63.2135.4-177.8-166.272.9000111.2L95 R96 W97 L413L95-L419 HydrophobicContact CB-CD1 3.98Å; L95-L419 HydrophobicContact CD2-CD1 3.92Å; L95-L419 HydrophobicContact CD2-CD2 4.36Å; L95-L419 HydrophobicContact CG-CD1 4.44Å; R96-L419 CarbonylContact O-C 3.45Å; R96-L419 WeakPolarHBondContact O-CA 3.29Å; W97-L419 HydrophobicContact CD2-CD1 4.42Å; W97-L419 HydrophobicContact CZ2-CD1 4.32Å; L413-L419 HydrophobicContact CD1-CD2 4.19Å
420D92.6Very high91.8Very high29 Ų2971.9 Ų71.916%0.15535%0.351CS..  trans-96.7100.6173.317816.7000110.5R96 N422 Y423R96-D420 HydrophobicContact CB-CB 4.46Å; R96-D420 IonicContact CZ-OD2 2.67Å; R96-D420 VanDerWaalsContact CZ-OD2 3.31Å; R96-D420 IonicContact NE-OD2 2.85Å; R96-D420 PolarHBondContact NE-OD2 3.36Å; R96-D420 VanDerWaalsContact NE-OD2 3.17Å; R96-D420 IonicContact NH2-OD2 2.8Å; R96-D420 PolarHBondContact NH2-OD2 3.12Å; R96-D420 PolarHBondContact O-N 3.33Å; D420-N422 PolarHBondContact O-N 2.94Å; D420-N422 VanDerWaalsContact O-N 3.1Å; D420-N422 PolarHBondContact OD1-N 3.44Å; D420-Y423 PolarHBondContact O-N 3.38Å
421E91.4Very high91.8Very high165 Ų16574 Ų7477%0.77136%0.36SS*.THydrogen-bonded Turntrans-63.6-13.1179.5-61.4-179.3174.300113.6Y424E421-Y424 WeakPolarHBondContact O-CE1 3.36Å
422N92.8Very high91.8Very high75 Ų7577.9 Ų77.940%0.40139%0.391SS..THydrogen-bonded Turntrans-105.216.4-177.4-65.4-72.9000113.1D420 Y424 K425D420-N422 PolarHBondContact O-N 2.94Å; D420-N422 VanDerWaalsContact O-N 3.1Å; D420-N422 PolarHBondContact OD1-N 3.44Å; N422-Y424 VanDerWaalsContact C-N 3.31Å; N422-Y424 PolarHBondContact O-N 3.34Å; N422-K425 HydrophobicContact CB-CD 4.11Å; N422-K425 HydrophobicContact CB-CG 4.43Å; N422-K425 WeakPolarHBondContact O-CB 3.37Å; N422-K425 PolarHBondContact O-N 3Å; N422-K425 VanDerWaalsContact O-N 3.11Å; N422-K425 VanDerWaalsContact OD1-CE 3.31Å; N422-K425 WeakPolarHBondContact OD1-CE 3.33Å; N422-K425 PolarHBondContact OD1-NZ 3.29Å
423Y92.9Very high91.8Very high4 Ų483 Ų832%0.01642%0.415CS..G310 helixtrans-57.4-42.8-174.8-176.3-153.6000113.1Q94 R96 K353 H365 D420 K425 C426 W427Q94-Y423 HydrophobicContact CB-CD1 3.7Å; Q94-Y423 HydrophobicContact CB-CE1 3.72Å; R96-Y423 HydrophobicContact CB-CD1 3.57Å; R96-Y423 HydrophobicContact CB-CD2 4.06Å; R96-Y423 HydrophobicContact CB-CE1 3.94Å; R96-Y423 HydrophobicContact CB-CE2 4.4Å; R96-Y423 HydrophobicContact CB-CG 3.63Å; R96-Y423 VanDerWaalsContact NE-CD2 3.3Å; K353-Y423 WeakPolarHBondContact CE-OH 3.24Å; H365-Y423 AromaticContact CE1-CE1 3.76Å; H365-Y423 AromaticContact CE1-CZ 3.8Å; H365-Y423 PolarHBondContact CE1-OH 3.48Å; H365-Y423 PolarHBondContact NE2-OH 3.01Å; H365-Y423 VanDerWaalsContact NE2-OH 3.11Å; D420-Y423 PolarHBondContact O-N 3.38Å; Y423-K425 PolarHBondContact O-N 2.85Å; Y423-K425 VanDerWaalsContact O-N 3.11Å; Y423-C426 PolarHBondContact O-N 3.35Å; Y423-C426 PolarHBondContact O-SG 3.15Å; Y423-W427 HydrophobicContact CD2-CH2 4.14Å; Y423-W427 HydrophobicContact CD2-CZ3 4.06Å; Y423-W427 AromaticContact CE1-CH2 3.95Å; Y423-W427 HydrophobicContact CE1-CH2 3.95Å; Y423-W427 HydrophobicContact CE1-CZ3 4.39Å; Y423-W427 AromaticContact CE2-CH2 3.52Å; Y423-W427 HydrophobicContact CE2-CH2 3.52Å; Y423-W427 HydrophobicContact CE2-CZ2 4.49Å; Y423-W427 AromaticContact CE2-CZ3 3.92Å; Y423-W427 HydrophobicContact CE2-CZ3 3.92Å; Y423-W427 HydrophobicContact CG-CZ3 4.37Å; Y423-W427 AromaticContact CZ-CH2 3.43Å; Y423-W427 VanDerWaalsContact CZ-CH2 3.43Å
424Y91.5Very high91.9Very high124 Ų12487.8 Ų87.849%0.48643%0.433SS..G310 helixtrans-58.3-27-179.870.3-87.4000113.7E421 N422 C426 W427 E428E421-Y424 WeakPolarHBondContact O-CE1 3.36Å; N422-Y424 VanDerWaalsContact C-N 3.31Å; N422-Y424 PolarHBondContact O-N 3.34Å; Y424-C426 PolarHBondContact O-N 3.37Å; Y424-C426 VanDerWaalsContact O-N 3.1Å; Y424-W427 PolarHBondContact O-N 3.25Å; Y424-E428 HydrophobicContact CD2-CG 4.36Å; Y424-E428 VanDerWaalsContact CE2-OE1 3.26Å; Y424-E428 WeakPolarHBondContact CE2-OE1 3.35Å
425K93.8Very high92.3Very high91 Ų9183.5 Ų83.540%0.39642%0.422SS..G310 helixtrans-64.6-16.5-177.5-62.7-170.3173.7162.40113.6N422 Y423 W427 E428 P429N422-K425 HydrophobicContact CB-CD 4.11Å; N422-K425 HydrophobicContact CB-CG 4.43Å; N422-K425 WeakPolarHBondContact O-CB 3.37Å; N422-K425 PolarHBondContact O-N 3Å; N422-K425 VanDerWaalsContact O-N 3.11Å; N422-K425 VanDerWaalsContact OD1-CE 3.31Å; N422-K425 WeakPolarHBondContact OD1-CE 3.33Å; N422-K425 PolarHBondContact OD1-NZ 3.29Å; Y423-K425 PolarHBondContact O-N 2.85Å; Y423-K425 VanDerWaalsContact O-N 3.11Å; K425-W427 PolarHBondContact O-N 3.08Å; K425-E428 WeakPolarHBondContact CG-OE2 3.48Å; K425-E428 PolarHBondContact O-N 3.39Å; K425-P429 WeakPolarHBondContact O-CD 3.31Å
426C90.5Very high93.1Very high29 Ų2985 Ų8520%0.19643%0.426CS..G310 helixtrans-68.8-16.9178.371.90000113.9D374 A375 Y423 Y424D374-C426 HydrophobicContact CB-CB 4.1Å; D374-C426 WeakPolarHBondContact CB-O 3.46Å; A375-C426 PolarHBondContact N-O 3.12Å; Y423-C426 PolarHBondContact O-N 3.35Å; Y423-C426 PolarHBondContact O-SG 3.15Å; Y424-C426 PolarHBondContact O-N 3.37Å; Y424-C426 VanDerWaalsContact O-N 3.1Å
427W94.4Very high93.9Very high34 Ų3491.7 Ų91.713%0.12946%0.46CS..THydrogen-bonded Turntrans-104-17176-61.8-79.8000114.3G372 P373 Y423 Y424 K425 P429 L430G372-W427 PolarHBondContact O-NE1 3.12Å; P373-W427 VanDerWaalsContact O-CD1 3.29Å; P373-W427 PolarHBondContact O-NE1 2.77Å; Y423-W427 HydrophobicContact CD2-CH2 4.14Å; Y423-W427 HydrophobicContact CD2-CZ3 4.06Å; Y423-W427 AromaticContact CE1-CH2 3.95Å; Y423-W427 HydrophobicContact CE1-CH2 3.95Å; Y423-W427 HydrophobicContact CE1-CZ3 4.39Å; Y423-W427 AromaticContact CE2-CH2 3.52Å; Y423-W427 HydrophobicContact CE2-CH2 3.52Å; Y423-W427 HydrophobicContact CE2-CZ2 4.49Å; Y423-W427 AromaticContact CE2-CZ3 3.92Å; Y423-W427 HydrophobicContact CE2-CZ3 3.92Å; Y423-W427 HydrophobicContact CG-CZ3 4.37Å; Y423-W427 AromaticContact CZ-CH2 3.43Å; Y423-W427 VanDerWaalsContact CZ-CH2 3.43Å; Y424-W427 PolarHBondContact O-N 3.25Å; K425-W427 PolarHBondContact O-N 3.08Å; W427-P429 VanDerWaalsContact C-N 3.28Å; W427-L430 HydrophobicContact CB-CD1 4.1Å; W427-L430 HydrophobicContact CG-CD1 4.49Å; W427-L430 WeakPolarHBondContact O-CB 3.5Å; W427-L430 WeakPolarHBondContact O-CG 3.22Å; W427-L430 PolarHBondContact O-N 3.45Å; W427-L430 VanDerWaalsContact O-N 3.08Å
428E95Very high94.2Very high124 Ų12485.9 Ų85.958%0.57944%0.444SS*.THydrogen-bonded Turntrans-53.4-35.2179.4-71-175.8146.300114.6Y424 K425 L430Y424-E428 HydrophobicContact CD2-CG 4.36Å; Y424-E428 VanDerWaalsContact CE2-OE1 3.26Å; Y424-E428 WeakPolarHBondContact CE2-OE1 3.35Å; K425-E428 WeakPolarHBondContact CG-OE2 3.48Å; K425-E428 PolarHBondContact O-N 3.39Å; E428-L430 PolarHBondContact O-N 2.8Å
429P96.3Very high94.2Very high77 Ų7796.9 Ų96.950%0.548%0.484SS..THydrogen-bonded Turntrans-73.6-4.2179.6-19.633.7000115.3A375 K425 W427A375-P429 HydrophobicContact CB-CB 3.79Å; A375-P429 HydrophobicContact CB-CG 4.37Å; K425-P429 WeakPolarHBondContact O-CD 3.31Å; W427-P429 VanDerWaalsContact C-N 3.28Å
430L95.8Very high94.1Very high58 Ų58100.6 Ų100.630%0.30450%0.504SS..  trans-62.3140.6176.3-72169.9000111Y334 A375 F378 W427 E428Y334-L430 HydrophobicContact CE1-CD1 3.99Å; Y334-L430 WeakPolarHBondContact OH-CD2 3.47Å; A375-L430 HydrophobicContact CB-CD2 3.96Å; A375-L430 HydrophobicContact CB-CG 4.06Å; F378-L430 HydrophobicContact CB-CD2 4.08Å; F378-L430 HydrophobicContact CD1-CD2 4.36Å; F378-L430 HydrophobicContact CG-CD2 4.23Å; W427-L430 HydrophobicContact CB-CD1 4.1Å; W427-L430 HydrophobicContact CG-CD1 4.49Å; W427-L430 WeakPolarHBondContact O-CB 3.5Å; W427-L430 WeakPolarHBondContact O-CG 3.22Å; W427-L430 PolarHBondContact O-N 3.45Å; W427-L430 VanDerWaalsContact O-N 3.08Å; E428-L430 PolarHBondContact O-N 2.8Å
431K97.4Very high93.2Very high161 Ų161104.7 Ų104.770%0.753%0.532SS*.  trans-127.3156.2-175.2-64.8174.6-171.3175.10111.2H433K431-H433 PolarHBondContact O-CD2 3.49Å; K431-H433 PolarHBondContact O-N 3.21Å
432S97.1Very high91.8Very high106 Ų106101.4 Ų101.474%0.74153%0.533SS*.  trans-69.3126.8166.3-177.70000109.7F434S432-F434 PolarHBondContact OG-N 3.14Å
433H95.1Very high89.9Confident108 Ų108106.3 Ų106.350%0.555%0.554SS.*  trans-109.512.6169.8-66-73.5000111.6F378 E379 K431 T435F378-H433 AromaticContact CE1-CD2 3.62Å; F378-H433 AromaticContact CE1-NE2 3.71Å; E379-H433 IonicContact OE1-CE1 3.5Å; E379-H433 PolarHBondContact OE1-CE1 3.48Å; E379-H433 IonicContact OE1-NE2 3.94Å; E379-H433 PolarHBondContact OE1-NE2 3.27Å; K431-H433 PolarHBondContact O-CD2 3.49Å; K431-H433 PolarHBondContact O-N 3.21Å; H433-T435 PolarHBondContact O-N 2.98Å
434F96.1Very high88Confident161 Ų161112.1 Ų112.171%0.70659%0.592SS**  trans-72.4121.1-174.3177-120.9000112.1S432 P436S432-F434 PolarHBondContact OG-N 3.14Å; F434-P436 HydrophobicContact CE1-CB 3.71Å; F434-P436 HydrophobicContact CE1-CG 4.24Å; F434-P436 HydrophobicContact CZ-CB 3.75Å; F434-P436 WeakPolarHBondContact O-CD 3.38Å
435T95.4Very high85.5Confident81 Ų81117.5 Ų117.550%0.49763%0.629SS.*  trans-113.79017844.20000109.8H433 N437 S438H433-T435 PolarHBondContact O-N 2.98Å; T435-N437 PolarHBondContact O-N 3.36Å; T435-S438 PolarHBondContact O-N 3.03Å; T435-S438 PolarHBondContact OG1-O 2.85Å
436P95.4Very high85.1Confident92 Ų92118.9 Ų118.960%0.59764%0.641SS**THydrogen-bonded Turntrans-58-23.8-168.920.4-32.9000114.7F434F434-P436 HydrophobicContact CE1-CB 3.71Å; F434-P436 HydrophobicContact CE1-CG 4.24Å; F434-P436 HydrophobicContact CZ-CB 3.75Å; F434-P436 WeakPolarHBondContact O-CD 3.38Å
437N96.2Very high84.8Confident157 Ų157123.6 Ų123.684%0.8466%0.664SS**THydrogen-bonded Turntrans-98.83.1-176.8-57.5-21.7000113.6T435T435-N437 PolarHBondContact O-N 3.36Å
438S93.5Very high84.3Confident70 Ų70128.6 Ų128.649%0.4969%0.694SS.*  trans-13698.5-177.1-61.60000111T435 N440T435-S438 PolarHBondContact O-N 3.03Å; T435-S438 PolarHBondContact OG1-O 2.85Å; S438-N440 VanDerWaalsContact C-N 3.34Å; S438-N440 PolarHBondContact O-N 3.38Å
439R91.1Very high83.7Confident243 Ų243128.8 Ų128.892%0.91770%0.701SS**SBendtrans-62.9-40.7177.1-178.1-177.4-179.7-178.51112.4
440N90.9Very high82.9Confident123 Ų123132.1 Ų132.166%0.65871%0.714SS**SBendtrans-98.7138.4179.6-64.686.9000108.9S438S438-N440 VanDerWaalsContact C-N 3.34Å; S438-N440 PolarHBondContact O-N 3.38Å
441P74.3Confident82Confident115 Ų115137 Ų13775%0.74774%0.741SS**PPolyproline II helixtrans-59.1144.1167.819.8-22.2000108.7E443P441-E443 PolarHBondContact O-N 2.68Å
442A63.2Low80.9Confident97 Ų97135.3 Ų135.380%0.80274%0.744SS**PPolyproline II helixtrans-55.5130.3173.100000108.6
443E52.3Low79.7Confident177 Ų177137.5 Ų137.583%0.82774%0.744SS**PPolyproline II helixtrans-57.4134.1175.8-71.5-166.8166.100108.7P441 N445P441-E443 PolarHBondContact O-N 2.68Å; E443-N445 PolarHBondContact O-N 3.08Å; E443-N445 VanDerWaalsContact O-N 3.08Å
444P53.7Low78.4Confident127 Ų127140 Ų14083%0.82576%0.764SS**  trans-63115.3173.624.1-29.3000108.3
445N38.4Very low76.8Confident237 Ų237138.1 Ų138.1100%1.26777%0.77SS**  trans-550171-82.8-18.7000112.4E443E443-N445 PolarHBondContact O-N 3.08Å; E443-N445 VanDerWaalsContact O-N 3.08Å

Retrieved 445 of 445 residues in 490.6 ms (Link to these results)

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