G4LY23_SCHMA Loading...

Tar DNA-binding protein, putative

AlphaFold DB , UniProt , Accession G4LY23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 344 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
1M45.4Very low84Confident243 Ų24388.5 Ų88.5100%1.19748%0.482SS*.  0116.80-63.6-171-152.900106.8G3M1-G3 PolarHBondContact O-N 2.89Å
2A63.5Low83.3Confident105 Ų10588.6 Ų88.687%0.86848%0.482SS*.PPolyproline II helixtrans-65.3122.8166.500000106.4
3G78.2Confident82.2Confident63 Ų6391.5 Ų91.565%0.64950%0.497SS*.PPolyproline II helixtrans-62.9146.9178.200000110.4M1 K5M1-G3 PolarHBondContact O-N 2.89Å; G3-K5 PolarHBondContact O-N 2.95Å
4V84.5Confident80.9Confident100 Ų10095.3 Ų95.361%0.60652%0.517SS*.PPolyproline II helixtrans-58.4130.5171.3-177.30000108.1F6 P21V4-F6 HydrophobicContact CB-CE2 3.97Å; V4-F6 HydrophobicContact CB-CZ 4.04Å; V4-F6 HydrophobicContact CG1-CE1 4.16Å; V4-F6 HydrophobicContact CG1-CE2 3.86Å; V4-F6 HydrophobicContact CG1-CZ 3.65Å; V4-F6 WeakPolarHBondContact O-CE2 3.24Å; V4-P21 HydrophobicContact CG1-CB 3.88Å
5K92.8Very high80.3Confident158 Ų15896 Ų9669%0.68752%0.515SS*.PPolyproline II helixtrans-96153.4174.8-62.1179.7-179.3174.40109.3G3 P21 I22G3-K5 PolarHBondContact O-N 2.95Å; K5-P21 WeakPolarHBondContact O-CA 3.32Å; K5-I22 HydrophobicContact CB-CB 4.37Å; K5-I22 HydrophobicContact CB-CD1 3.79Å; K5-I22 HydrophobicContact CB-CG1 4.49Å; K5-I22 PolarHBondContact O-N 2.87Å
6F95.4Very high80.4Confident97 Ų9796.8 Ų96.843%0.42553%0.531SS..EExtended strand (participates in β ladder)trans-131.3155.9-176.6-61.7-93.5000111.6V4 E19 V20 P21V4-F6 HydrophobicContact CB-CE2 3.97Å; V4-F6 HydrophobicContact CB-CZ 4.04Å; V4-F6 HydrophobicContact CG1-CE1 4.16Å; V4-F6 HydrophobicContact CG1-CE2 3.86Å; V4-F6 HydrophobicContact CG1-CZ 3.65Å; V4-F6 WeakPolarHBondContact O-CE2 3.24Å; F6-E19 HydrophobicContact CB-CB 3.89Å; F6-E19 HydrophobicContact CB-CG 4.25Å; F6-E19 HydrophobicContact CD1-CB 4.03Å; F6-E19 HydrophobicContact CG-CB 4.15Å; F6-V20 CarbonylContact C-O 3.53Å; F6-V20 VanDerWaalsContact CA-O 3.31Å; F6-V20 WeakPolarHBondContact CA-O 3.27Å; F6-P21 HydrophobicContact CD1-CB 4.03Å; F6-P21 HydrophobicContact CE1-CB 3.87Å
7I95.6Very high81Confident1 Ų194.8 Ų94.81%0.00552%0.524CS..EExtended strand (participates in β ladder)trans-111.9151.4168.565.7159.6000110.2V9 E19 V20 I22 V28 L43 W70I7-V9 HydrophobicContact CD1-CG2 3.45Å; I7-V9 VanDerWaalsContact CD1-CG2 3.45Å; I7-V9 HydrophobicContact CG1-CG2 3.71Å; I7-E19 CarbonylContact O-C 3.55Å; I7-E19 VanDerWaalsContact O-CA 3.26Å; I7-E19 WeakPolarHBondContact O-CA 2.88Å; I7-V20 HydrophobicContact CG1-CB 3.9Å; I7-V20 WeakPolarHBondContact CG1-O 3.38Å; I7-V20 PolarHBondContact N-O 3.1Å; I7-V20 PolarHBondContact O-N 3.49Å; I7-I22 HydrophobicContact CG2-CD1 3.57Å; I7-I22 HydrophobicContact CG2-CG1 3.53Å; I7-V28 HydrophobicContact CD1-CB 4.47Å; I7-V28 HydrophobicContact CD1-CG1 4.31Å; I7-V28 HydrophobicContact CD1-CG2 3.81Å; I7-V28 HydrophobicContact CG1-CG2 4.12Å; I7-V28 HydrophobicContact CG2-CG2 4.15Å; I7-L43 HydrophobicContact CD1-CD1 3.58Å; I7-W70 HydrophobicContact CD1-CE3 4.28Å; I7-W70 HydrophobicContact CD1-CZ3 4.24Å; I7-W70 HydrophobicContact CG2-CB 3.5Å; I7-W70 VanDerWaalsContact CG2-CB 3.5Å; I7-W70 HydrophobicContact CG2-CD2 3.54Å; I7-W70 HydrophobicContact CG2-CE3 3.84Å; I7-W70 HydrophobicContact CG2-CG 3.39Å
8R95Very high81.6Confident123 Ų12393.9 Ų93.946%0.46452%0.517SS..EExtended strand (participates in β ladder)trans-93.9119.5176.8-67177.9-67175.1-0.4109.9P17 E19 V71 V73 Y74R8-P17 HydrophobicContact CB-CB 3.95Å; R8-E19 HydrophobicContact CG-CG 4.5Å; R8-V71 PolarHBondContact NH2-O 2.68Å; R8-V73 HydrophobicContact CB-CG2 4.37Å; R8-Y74 PolarHBondContact O-N 3.08Å
9V95.7Very high82.3Confident0 Ų095.5 Ų95.50%052%0.52CS..EExtended strand (participates in β ladder)trans-126.5133.7-176.9-174.70000110.6I7 P17 I18 V20 L33 F37 L43 Y74 C76I7-V9 HydrophobicContact CD1-CG2 3.45Å; I7-V9 VanDerWaalsContact CD1-CG2 3.45Å; I7-V9 HydrophobicContact CG1-CG2 3.71Å; V9-P17 CarbonylContact O-C 3.58Å; V9-P17 WeakPolarHBondContact O-CA 3.49Å; V9-I18 PolarHBondContact N-O 3.31Å; V9-I18 PolarHBondContact O-N 3.3Å; V9-V20 HydrophobicContact CB-CG2 4.06Å; V9-V20 HydrophobicContact CG2-CB 4.19Å; V9-V20 HydrophobicContact CG2-CG2 3.73Å; V9-L33 HydrophobicContact CG1-CD1 3.98Å; V9-L33 HydrophobicContact CG2-CD1 4.47Å; V9-F37 HydrophobicContact CB-CE2 3.76Å; V9-F37 HydrophobicContact CB-CZ 4.12Å; V9-F37 HydrophobicContact CG1-CD2 4.03Å; V9-F37 HydrophobicContact CG1-CE2 3.44Å; V9-F37 VanDerWaalsContact CG1-CE2 3.44Å; V9-F37 HydrophobicContact CG1-CZ 3.85Å; V9-L43 HydrophobicContact CG1-CD2 3.59Å; V9-L43 HydrophobicContact CG2-CD1 4.34Å; V9-L43 HydrophobicContact CG2-CD2 4.24Å; V9-Y74 CarbonylContact C-O 3.46Å; V9-Y74 WeakPolarHBondContact CA-O 3.21Å; V9-C76 VanDerWaalsContact CG1-SG 3.6Å
10C91.3Very high83Confident7 Ų790.7 Ų90.75%0.04749%0.494CS..EExtended strand (participates in β ladder)trans-117.5157.2169.657.50000111.2D12 Y74 Q75 C76C10-D12 WeakPolarHBondContact CB-O 3.07Å; C10-D12 PolarHBondContact SG-O 3.21Å; C10-D12 VanDerWaalsContact SG-O 3.38Å; C10-Y74 PolarHBondContact N-O 3.39Å; C10-Q75 CarbonylContact O-C 3.52Å; C10-Q75 WeakPolarHBondContact O-CA 3.26Å; C10-C76 PolarHBondContact O-N 3.16Å
11E86.7Confident83.6Confident76 Ų7688.3 Ų88.336%0.35548%0.483SS..SBendtrans-72.3-49.7169.5-173.9157.5-179.700109.8F37 F78E11-F37 HydrophobicContact CB-CD1 4.17Å; E11-F37 HydrophobicContact CB-CE1 4.15Å; E11-F78 HydrophobicContact CG-CE2 3.78Å; E11-F78 HydrophobicContact CG-CZ 3.78Å
12D76Confident86Confident90 Ų9078 Ų7848%0.48143%0.432SS..SBendtrans-138.7173.3178.9-72.2-48.8000112C10 N14 E15C10-D12 WeakPolarHBondContact CB-O 3.07Å; C10-D12 PolarHBondContact SG-O 3.21Å; C10-D12 VanDerWaalsContact SG-O 3.38Å; D12-N14 PolarHBondContact O-N 2.67Å; D12-N14 VanDerWaalsContact O-N 3.16Å; D12-E15 PolarHBondContact O-N 3.3Å
13D68Low87.5Confident126 Ų12676.4 Ų76.467%0.67441%0.407SS*.THydrogen-bonded Turntrans-63.3-18-178-78.2-42000114.8Q75D13-Q75 PolarHBondContact OD1-NE2 3.4Å; D13-Q75 PolarHBondContact OD2-NE2 2.97Å
14N64Low88.2Confident145 Ų14582 Ų8278%0.77542%0.422SS*.THydrogen-bonded Turntrans-1003.9-173.1-65.9-24.4000113.8D12D12-N14 PolarHBondContact O-N 2.67Å; D12-N14 VanDerWaalsContact O-N 3.16Å
15E72.4Confident88.6Confident106 Ų10681.4 Ų81.450%0.49542%0.415SS..SBendtrans-112.3144.7-178.2-66.5-164.8162.400112.9D12D12-E15 PolarHBondContact O-N 3.3Å
16S82.2Confident88.7Confident109 Ų10975.3 Ų75.376%0.76240%0.398SS*.PPolyproline II helixtrans-60.8127.4173.7-66.50000110.2
17P89.5Confident88.7Confident63 Ų6370.9 Ų70.941%0.40938%0.379SS..PPolyproline II helixtrans-61.1141.2-179.4-23.332.7000112.6R8 V9 V73R8-P17 HydrophobicContact CB-CB 3.95Å; V9-P17 CarbonylContact O-C 3.58Å; V9-P17 WeakPolarHBondContact O-CA 3.49Å; P17-V73 HydrophobicContact CB-CG1 4.31Å; P17-V73 HydrophobicContact CG-CG1 3.85Å
18I92.6Very high88.8Confident78 Ų7870.9 Ų70.940%0.438%0.379SS..EExtended strand (participates in β ladder)trans-97.6139.3170.4-56.7177.8000108.7V9 V36 F37V9-I18 PolarHBondContact N-O 3.31Å; V9-I18 PolarHBondContact O-N 3.3Å; I18-V36 HydrophobicContact CB-CG1 4.37Å; I18-V36 HydrophobicContact CD1-CG1 3.94Å; I18-V36 HydrophobicContact CG2-CG1 3.84Å; I18-F37 HydrophobicContact CB-CE2 4.49Å; I18-F37 HydrophobicContact CB-CZ 3.98Å; I18-F37 HydrophobicContact CD1-CE1 4.09Å; I18-F37 HydrophobicContact CD1-CZ 3.88Å; I18-F37 HydrophobicContact CG1-CZ 4.17Å
19E95.5Very high88.9Confident124 Ų12467.5 Ų67.558%0.57937%0.369SS*.EExtended strand (participates in β ladder)trans-82.5121176-74.3-168.4145.900111.5F6 I7 R8F6-E19 HydrophobicContact CB-CB 3.89Å; F6-E19 HydrophobicContact CB-CG 4.25Å; F6-E19 HydrophobicContact CD1-CB 4.03Å; F6-E19 HydrophobicContact CG-CB 4.15Å; I7-E19 CarbonylContact O-C 3.55Å; I7-E19 VanDerWaalsContact O-CA 3.26Å; I7-E19 WeakPolarHBondContact O-CA 2.88Å; R8-E19 HydrophobicContact CG-CG 4.5Å
20V95.2Very high88.9Confident0 Ų068.7 Ų68.70%038%0.376CS..EExtended strand (participates in β ladder)trans-110.2130.5178.3-177.60000109F6 I7 V9 V28 T32 F37F6-V20 CarbonylContact C-O 3.53Å; F6-V20 VanDerWaalsContact CA-O 3.31Å; F6-V20 WeakPolarHBondContact CA-O 3.27Å; I7-V20 HydrophobicContact CG1-CB 3.9Å; I7-V20 WeakPolarHBondContact CG1-O 3.38Å; I7-V20 PolarHBondContact N-O 3.1Å; I7-V20 PolarHBondContact O-N 3.49Å; V9-V20 HydrophobicContact CB-CG2 4.06Å; V9-V20 HydrophobicContact CG2-CB 4.19Å; V9-V20 HydrophobicContact CG2-CG2 3.73Å; V20-V28 HydrophobicContact CG1-CG1 3.88Å; V20-T32 HydrophobicContact CG1-CG2 3.97Å; V20-F37 HydrophobicContact CG2-CE2 4.2Å
21P96.1Very high89.2Confident40 Ų4071.7 Ų71.726%0.2640%0.401SS..EExtended strand (participates in β ladder)trans-70.2150.3-174.128.5-34.8000112.6V4 K5 F6 T32V4-P21 HydrophobicContact CG1-CB 3.88Å; K5-P21 WeakPolarHBondContact O-CA 3.32Å; F6-P21 HydrophobicContact CD1-CB 4.03Å; F6-P21 HydrophobicContact CE1-CB 3.87Å; P21-T32 HydrophobicContact CG-CG2 3.84Å
22I96.2Very high89.7Confident26 Ų2669.6 Ų69.613%0.13339%0.393CS..PPolyproline II helixtrans-101136.9174.8-55.6164000108.6K5 I7 G26 T27 V28 W70K5-I22 HydrophobicContact CB-CB 4.37Å; K5-I22 HydrophobicContact CB-CD1 3.79Å; K5-I22 HydrophobicContact CB-CG1 4.49Å; K5-I22 PolarHBondContact O-N 2.87Å; I7-I22 HydrophobicContact CG2-CD1 3.57Å; I7-I22 HydrophobicContact CG2-CG1 3.53Å; I22-G26 VanDerWaalsContact CG2-C 3.45Å; I22-T27 WeakPolarHBondContact CG2-O 3.27Å; I22-V28 HydrophobicContact CG1-CG2 4.1Å; I22-W70 HydrophobicContact CD1-CB 4.39Å; I22-W70 HydrophobicContact CD1-CG 4.16Å
23E95.3Very high90.6Very high72 Ų7265.3 Ų65.334%0.33637%0.37SS..PPolyproline II helixtrans-68.9163.2173.6-60.3-59136.600112D25 G26 T27 L29E23-D25 WeakPolarHBondContact CB-OD1 3.31Å; E23-D25 PolarHBondContact O-N 3.38Å; E23-D25 VanDerWaalsContact O-N 3.12Å; E23-G26 PolarHBondContact O-N 3.24Å; E23-T27 WeakPolarHBondContact CB-O 3.21Å; E23-T27 PolarHBondContact N-O 3.45Å; E23-L29 HydrophobicContact CG-CD1 4.21Å; E23-L29 HydrophobicContact CG-CD2 4.42Å; E23-L29 HydrophobicContact CG-CG 3.79Å; E23-L29 VanDerWaalsContact OE1-CD1 3.27Å; E23-L29 WeakPolarHBondContact OE1-CD1 3.39Å
24D92Very high92Very high180 Ų18063.1 Ų63.196%0.96336%0.356SS*.THydrogen-bonded Turntrans-60.2-25.5179.5-70.7-30.8000113.3G26D24-G26 VanDerWaalsContact C-N 3.26Å; D24-G26 PolarHBondContact O-N 3.09Å
25D92.8Very high93.5Very high88 Ų8860.6 Ų60.647%0.47135%0.35SS..THydrogen-bonded Turntrans-82.41.7175.970.15.1000113.8E23 T27 K62E23-D25 WeakPolarHBondContact CB-OD1 3.31Å; E23-D25 PolarHBondContact O-N 3.38Å; E23-D25 VanDerWaalsContact O-N 3.12Å; D25-T27 VanDerWaalsContact C-N 3.32Å; D25-T27 VanDerWaalsContact OD1-CB 3.29Å; D25-T27 WeakPolarHBondContact OD1-CB 3.45Å; D25-T27 WeakPolarHBondContact OD1-CG2 3.22Å; D25-T27 PolarHBondContact OD1-N 3.39Å; D25-T27 PolarHBondContact OD1-OG1 2.72Å; D25-T27 PolarHBondContact OD2-OG1 3.21Å; D25-K62 IonicContact OD2-NZ 3.71Å; D25-K62 PolarHBondContact OD2-NZ 3.2Å
26G94.1Very high94.5Very high31 Ų3158.1 Ų58.132%0.3234%0.342SS..SBendtrans833-179.800000114.7I22 E23 D24 W70I22-G26 VanDerWaalsContact CG2-C 3.45Å; E23-G26 PolarHBondContact O-N 3.24Å; D24-G26 VanDerWaalsContact C-N 3.26Å; D24-G26 PolarHBondContact O-N 3.09Å; G26-W70 PolarHBondContact O-NE1 3.42Å
27T96.8Very high95Very high4 Ų453.1 Ų53.13%0.02531%0.306CS..  trans-90.3165.3176.768.50000112.3I22 E23 D25 K62 L63 F64I22-T27 WeakPolarHBondContact CG2-O 3.27Å; E23-T27 WeakPolarHBondContact CB-O 3.21Å; E23-T27 PolarHBondContact N-O 3.45Å; D25-T27 VanDerWaalsContact C-N 3.32Å; D25-T27 VanDerWaalsContact OD1-CB 3.29Å; D25-T27 WeakPolarHBondContact OD1-CB 3.45Å; D25-T27 WeakPolarHBondContact OD1-CG2 3.22Å; D25-T27 PolarHBondContact OD1-N 3.39Å; D25-T27 PolarHBondContact OD1-OG1 2.72Å; D25-T27 PolarHBondContact OD2-OG1 3.21Å; T27-K62 HydrophobicContact CG2-CB 4.28Å; T27-K62 HydrophobicContact CG2-CD 4.42Å; T27-L63 CarbonylContact C-O 3.56Å; T27-L63 VanDerWaalsContact CA-O 3.25Å; T27-L63 WeakPolarHBondContact CA-O 3.4Å; T27-L63 VanDerWaalsContact CB-O 3.3Å; T27-L63 WeakPolarHBondContact CB-O 3.46Å; T27-F64 HydrophobicContact CG2-CD1 3.77Å; T27-F64 HydrophobicContact CG2-CE1 3.7Å; T27-F64 HydrophobicContact CG2-CE2 4.5Å; T27-F64 HydrophobicContact CG2-CG 4.22Å; T27-F64 HydrophobicContact CG2-CZ 4.09Å
28V97Very high95.1Very high0 Ų054.5 Ų54.50%032%0.315CS..EExtended strand (participates in β ladder)trans-114.7127168.9174.50000108.4I7 V20 I22 L30 L63 W70I7-V28 HydrophobicContact CD1-CB 4.47Å; I7-V28 HydrophobicContact CD1-CG1 4.31Å; I7-V28 HydrophobicContact CD1-CG2 3.81Å; I7-V28 HydrophobicContact CG1-CG2 4.12Å; I7-V28 HydrophobicContact CG2-CG2 4.15Å; V20-V28 HydrophobicContact CG1-CG1 3.88Å; I22-V28 HydrophobicContact CG1-CG2 4.1Å; V28-L30 PolarHBondContact O-N 3.42Å; V28-L63 HydrophobicContact CB-CB 4.24Å; V28-L63 HydrophobicContact CG1-CD1 4.48Å; V28-L63 PolarHBondContact N-O 3.47Å; V28-L63 WeakPolarHBondContact O-CB 3.39Å; V28-L63 PolarHBondContact O-N 3.37Å; V28-W70 HydrophobicContact CB-CZ2 4.39Å; V28-W70 HydrophobicContact CG2-CH2 4.33Å; V28-W70 HydrophobicContact CG2-CZ2 3.88Å
29L97.2Very high94.9Very high52 Ų5258.7 Ų58.727%0.27233%0.33SS..EExtended strand (participates in β ladder)trans-70.8131.2177.6-66.4175.3000110.6E23 A31 T32 L33 K62E23-L29 HydrophobicContact CG-CD1 4.21Å; E23-L29 HydrophobicContact CG-CD2 4.42Å; E23-L29 HydrophobicContact CG-CG 3.79Å; E23-L29 VanDerWaalsContact OE1-CD1 3.27Å; E23-L29 WeakPolarHBondContact OE1-CD1 3.39Å; L29-A31 PolarHBondContact O-N 3.16Å; L29-T32 WeakPolarHBondContact O-CB 3.36Å; L29-T32 PolarHBondContact O-N 2.82Å; L29-L33 PolarHBondContact O-N 2.71Å; L29-K62 HydrophobicContact CD2-CG 3.92Å
30L96.7Very high94.8Very high26 Ų2652.8 Ų52.814%0.13630%0.303CS..Hα-helixtrans-58.4-35.4172179.663.4000111.1V28 T32 L33 Q34 L58 G61V28-L30 PolarHBondContact O-N 3.42Å; L30-T32 VanDerWaalsContact C-N 3.33Å; L30-T32 PolarHBondContact O-N 3.1Å; L30-L33 HydrophobicContact CD1-CD2 4.14Å; L30-L33 WeakPolarHBondContact O-CB 3.43Å; L30-L33 PolarHBondContact O-N 3.16Å; L30-Q34 HydrophobicContact CD1-CG 4.22Å; L30-Q34 HydrophobicContact CG-CG 4.29Å; L30-Q34 WeakPolarHBondContact O-CB 3.32Å; L30-Q34 VanDerWaalsContact O-CG 3.25Å; L30-Q34 WeakPolarHBondContact O-CG 3.37Å; L30-Q34 PolarHBondContact O-N 3.12Å; L30-L58 HydrophobicContact CB-CD1 4.08Å; L30-L58 HydrophobicContact CD2-CD1 4.12Å; L30-L58 HydrophobicContact CD2-CD2 4Å; L30-G61 WeakPolarHBondContact CB-O 3.08Å; L30-G61 PolarHBondContact N-O 2.94Å
31A96.8Very high94.8Very high69 Ų6955.9 Ų55.957%0.5732%0.322SS*.Hα-helixtrans-62.5-40175.400000112.3L29 Q34 S35L29-A31 PolarHBondContact O-N 3.16Å; A31-Q34 PolarHBondContact O-N 3.23Å; A31-S35 PolarHBondContact O-N 2.85Å
32T96.3Very high94.8Very high32 Ų3254.2 Ų54.220%0.19631%0.312CS..Hα-helixtrans-68.7-38.7174.5-550000111.1V20 P21 L29 L30 Q34 S35V20-T32 HydrophobicContact CG1-CG2 3.97Å; P21-T32 HydrophobicContact CG-CG2 3.84Å; L29-T32 WeakPolarHBondContact O-CB 3.36Å; L29-T32 PolarHBondContact O-N 2.82Å; L30-T32 VanDerWaalsContact C-N 3.33Å; L30-T32 PolarHBondContact O-N 3.1Å; T32-Q34 VanDerWaalsContact C-N 3.35Å; T32-S35 PolarHBondContact O-N 3.35Å; T32-S35 PolarHBondContact O-OG 2.84Å
33L96.4Very high94.8Very high0 Ų053.2 Ų53.20%031%0.307CS..Hα-helixtrans-61.5-45172.7-176.570.9000111.2V9 L29 L30 S35 V36 F37 S40 L43 L63V9-L33 HydrophobicContact CG1-CD1 3.98Å; V9-L33 HydrophobicContact CG2-CD1 4.47Å; L29-L33 PolarHBondContact O-N 2.71Å; L30-L33 HydrophobicContact CD1-CD2 4.14Å; L30-L33 WeakPolarHBondContact O-CB 3.43Å; L30-L33 PolarHBondContact O-N 3.16Å; L33-S35 VanDerWaalsContact C-N 3.31Å; L33-S35 PolarHBondContact O-N 3.11Å; L33-V36 PolarHBondContact O-N 2.91Å; L33-F37 HydrophobicContact CD1-CD2 3.82Å; L33-F37 HydrophobicContact CD1-CE2 4.37Å; L33-F37 PolarHBondContact O-N 2.63Å; L33-S40 WeakPolarHBondContact CG-OG 3.24Å; L33-L43 HydrophobicContact CD1-CD2 3.73Å; L33-L43 HydrophobicContact CD1-CG 4.29Å; L33-L43 HydrophobicContact CD2-CD2 3.89Å; L33-L43 HydrophobicContact CD2-CG 3.9Å; L33-L43 HydrophobicContact CG-CD2 4.49Å; L33-L63 HydrophobicContact CD2-CD1 3.89Å
34Q95.9Very high94.7Very high81 Ų8152.6 Ų52.638%0.37930%0.303SS..Hα-helixtrans-69.5-24-178.3-75.7175.7-22.500114L30 A31 T32 V36 F37 S40L30-Q34 HydrophobicContact CD1-CG 4.22Å; L30-Q34 HydrophobicContact CG-CG 4.29Å; L30-Q34 WeakPolarHBondContact O-CB 3.32Å; L30-Q34 VanDerWaalsContact O-CG 3.25Å; L30-Q34 WeakPolarHBondContact O-CG 3.37Å; L30-Q34 PolarHBondContact O-N 3.12Å; A31-Q34 PolarHBondContact O-N 3.23Å; T32-Q34 VanDerWaalsContact C-N 3.35Å; Q34-V36 VanDerWaalsContact C-N 3.32Å; Q34-F37 WeakPolarHBondContact CA-O 3.48Å; Q34-F37 CarbonylContact O-C 3.5Å; Q34-S40 VanDerWaalsContact CG-O 3.3Å; Q34-S40 WeakPolarHBondContact CG-O 3.25Å; Q34-S40 PolarHBondContact NE2-O 3Å
35S95.5Very high94.8Very high91 Ų9144.3 Ų44.364%0.63626%0.259SS*.Hα-helixtrans-72.5-28.5174.773.40000112.4A31 T32 L33A31-S35 PolarHBondContact O-N 2.85Å; T32-S35 PolarHBondContact O-N 3.35Å; T32-S35 PolarHBondContact O-OG 2.84Å; L33-S35 VanDerWaalsContact C-N 3.31Å; L33-S35 PolarHBondContact O-N 3.11Å
36V93.6Very high94.5Very high55 Ų5545 Ų4533%0.33326%0.262SS..Hα-helixtrans-89.6-45175.6-176.80000111.1I18 L33 Q34 P38I18-V36 HydrophobicContact CB-CG1 4.37Å; I18-V36 HydrophobicContact CD1-CG1 3.94Å; I18-V36 HydrophobicContact CG2-CG1 3.84Å; L33-V36 PolarHBondContact O-N 2.91Å; Q34-V36 VanDerWaalsContact C-N 3.32Å; V36-P38 WeakPolarHBondContact O-CD 3.4Å
37F92.7Very high94Very high4 Ų443.5 Ų43.52%0.01825%0.246CC..SBendtrans-119.788.7-177.3-58.5-81.1000110.1V9 E11 I18 V20 L33 Q34 K39 S40 C76V9-F37 HydrophobicContact CB-CE2 3.76Å; V9-F37 HydrophobicContact CB-CZ 4.12Å; V9-F37 HydrophobicContact CG1-CD2 4.03Å; V9-F37 HydrophobicContact CG1-CE2 3.44Å; V9-F37 VanDerWaalsContact CG1-CE2 3.44Å; V9-F37 HydrophobicContact CG1-CZ 3.85Å; E11-F37 HydrophobicContact CB-CD1 4.17Å; E11-F37 HydrophobicContact CB-CE1 4.15Å; I18-F37 HydrophobicContact CB-CE2 4.49Å; I18-F37 HydrophobicContact CB-CZ 3.98Å; I18-F37 HydrophobicContact CD1-CE1 4.09Å; I18-F37 HydrophobicContact CD1-CZ 3.88Å; I18-F37 HydrophobicContact CG1-CZ 4.17Å; V20-F37 HydrophobicContact CG2-CE2 4.2Å; L33-F37 HydrophobicContact CD1-CD2 3.82Å; L33-F37 HydrophobicContact CD1-CE2 4.37Å; L33-F37 PolarHBondContact O-N 2.63Å; Q34-F37 WeakPolarHBondContact CA-O 3.48Å; Q34-F37 CarbonylContact O-C 3.5Å; F37-K39 PolarHBondContact O-N 3.13Å; F37-S40 VanDerWaalsContact O-CB 3.27Å; F37-S40 WeakPolarHBondContact O-CB 3.46Å; F37-S40 PolarHBondContact O-N 3Å; F37-S40 VanDerWaalsContact O-N 3.14Å; F37-S40 PolarHBondContact O-OG 3.32Å; F37-C76 VanDerWaalsContact CD2-SG 3.57Å; F37-C76 WeakPolarHBondContact CG-SG 3.2Å
38P91.4Very high93Very high91 Ų9147.6 Ų47.659%0.59127%0.273SS*.THydrogen-bonded Turntrans-54.5139.5-179.2-26.635.1000111.9V36 S40 F78V36-P38 WeakPolarHBondContact O-CD 3.4Å; P38-S40 PolarHBondContact O-N 2.98Å; P38-F78 WeakPolarHBondContact O-CE1 3.08Å
39K90.1Very high92.1Very high166 Ų16652.8 Ų52.872%0.72230%0.297SS*.THydrogen-bonded Turntrans69.21.2-177.9-47.4175.2179.9175.70116F37 T41 F78 P79F37-K39 PolarHBondContact O-N 3.13Å; K39-T41 PolarHBondContact O-N 2.9Å; K39-F78 HydrophobicContact CB-CD1 4.3Å; K39-P79 VanDerWaalsContact O-CD 3.25Å; K39-P79 WeakPolarHBondContact O-CD 3.4Å
40S93Very high91.2Very high0 Ų051.2 Ų51.20%029%0.291CS..  trans-58.1140.6170.360.10000110.4L33 Q34 F37 P38 A77L33-S40 WeakPolarHBondContact CG-OG 3.24Å; Q34-S40 VanDerWaalsContact CG-O 3.3Å; Q34-S40 WeakPolarHBondContact CG-O 3.25Å; Q34-S40 PolarHBondContact NE2-O 3Å; F37-S40 VanDerWaalsContact O-CB 3.27Å; F37-S40 WeakPolarHBondContact O-CB 3.46Å; F37-S40 PolarHBondContact O-N 3Å; F37-S40 VanDerWaalsContact O-N 3.14Å; F37-S40 PolarHBondContact O-OG 3.32Å; P38-S40 PolarHBondContact O-N 2.98Å; S40-A77 CarbonylContact C-O 3.51Å
41T94.4Very high90.1Very high65 Ų6550.9 Ų50.940%0.39929%0.293SS..  trans-115.8-4.4-179.649.70000112.6K39 L58 A77 P79K39-T41 PolarHBondContact O-N 2.9Å; T41-L58 WeakPolarHBondContact O-CD2 3.27Å; T41-A77 PolarHBondContact N-O 3.44Å; T41-A77 PolarHBondContact OG1-O 2.86Å; T41-P79 HydrophobicContact CG2-CG 3.65Å
42G95.5Very high89.3Confident6 Ų649.1 Ų49.16%0.06228%0.277CS..EExtended strand (participates in β ladder)trans163.3-16617900000110.9A77G42-A77 PolarHBondContact O-N 3.47Å
43L96.3Very high88.8Confident4 Ų451.9 Ų51.92%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-124.3153.1179.6-68.6176.2000110.4I7 V9 L33 V56 L63 W70 Y74 Q75I7-L43 HydrophobicContact CD1-CD1 3.58Å; V9-L43 HydrophobicContact CG1-CD2 3.59Å; V9-L43 HydrophobicContact CG2-CD1 4.34Å; V9-L43 HydrophobicContact CG2-CD2 4.24Å; L33-L43 HydrophobicContact CD1-CD2 3.73Å; L33-L43 HydrophobicContact CD1-CG 4.29Å; L33-L43 HydrophobicContact CD2-CD2 3.89Å; L33-L43 HydrophobicContact CD2-CG 3.9Å; L33-L43 HydrophobicContact CG-CD2 4.49Å; L43-V56 HydrophobicContact CB-CB 3.88Å; L43-V56 HydrophobicContact CB-CG2 3.62Å; L43-V56 WeakPolarHBondContact O-CB 3.44Å; L43-V56 PolarHBondContact O-N 3Å; L43-L63 HydrophobicContact CD1-CD1 3.96Å; L43-L63 HydrophobicContact CG-CD1 3.99Å; L43-W70 HydrophobicContact CD1-CZ3 4.43Å; L43-Y74 HydrophobicContact CB-CD1 4.34Å; L43-Y74 HydrophobicContact CD1-CG 4.36Å; L43-Q75 CarbonylContact C-O 3.39Å; L43-Q75 WeakPolarHBondContact CA-O 3.37Å
44K94.9Very high88.6Confident60 Ų6056.1 Ų56.126%0.26131%0.306SS..EExtended strand (participates in β ladder)trans-136.2156.6169.760.2-175.4170.4143.70108.8L53 R54 Y74 Q75 C76K44-L53 HydrophobicContact CD-CD1 4.21Å; K44-L53 HydrophobicContact CD-CD2 4.47Å; K44-L53 HydrophobicContact CG-CD2 4.45Å; K44-R54 CarbonylContact C-O 3.52Å; K44-R54 WeakPolarHBondContact CA-O 3.44Å; K44-Y74 CarbonylContact O-C 3.6Å; K44-Y74 WeakPolarHBondContact O-CA 3.29Å; K44-Q75 HydrophobicContact CD-CB 4.42Å; K44-Q75 HydrophobicContact CG-CB 3.85Å; K44-Q75 WeakPolarHBondContact CG-O 3.29Å; K44-Q75 PolarHBondContact N-O 3.22Å; K44-Q75 PolarHBondContact O-N 2.85Å; K44-C76 VanDerWaalsContact CE-O 3.26Å; K44-C76 WeakPolarHBondContact CE-O 3.24Å
45Y93.1Very high88.5Confident5 Ų555 Ų552%0.0232%0.315CS..EExtended strand (participates in β ladder)trans-146.1155.1177.770-80000110.8A47 L53 R54 V56 P66 H72 Y74Y45-A47 HydrophobicContact CE2-CB 4.2Å; Y45-A47 PolarHBondContact O-N 3.5Å; Y45-L53 CarbonylContact O-C 3.45Å; Y45-L53 WeakPolarHBondContact O-CA 3.31Å; Y45-R54 HydrophobicContact CD1-CB 4.17Å; Y45-R54 VanDerWaalsContact CD1-O 3.29Å; Y45-R54 WeakPolarHBondContact CD1-O 3.39Å; Y45-R54 HydrophobicContact CE1-CB 3.76Å; Y45-R54 HydrophobicContact CE1-CG 3.95Å; Y45-R54 PolarHBondContact N-O 3.33Å; Y45-R54 PolarHBondContact O-N 3.11Å; Y45-R54 WeakPolarHBondContact OH-CD 3.45Å; Y45-R54 PolarHBondContact OH-NH1 3.41Å; Y45-R54 VanDerWaalsContact OH-NH1 3.16Å; Y45-V56 HydrophobicContact CD1-CG2 4.05Å; Y45-V56 HydrophobicContact CE1-CG2 4.49Å; Y45-P66 HydrophobicContact CD1-CG 4.36Å; Y45-P66 HydrophobicContact CE1-CB 4.31Å; Y45-P66 HydrophobicContact CE1-CG 3.62Å; Y45-P66 WeakPolarHBondContact OH-CB 2.95Å; Y45-H72 HydrophobicContact CD2-CB 3.97Å; Y45-H72 AromaticContact CD2-CD2 3.37Å; Y45-H72 WeakPolarHBondContact CD2-CD2 3.42Å; Y45-H72 AromaticContact CD2-CG 3.44Å; Y45-H72 VanDerWaalsContact CD2-CG 3.44Å; Y45-H72 AromaticContact CD2-ND1 3.94Å; Y45-H72 AromaticContact CD2-NE2 3.8Å; Y45-H72 AromaticContact CE2-CD2 3.36Å; Y45-H72 WeakPolarHBondContact CE2-CD2 3.4Å; Y45-H72 AromaticContact CE2-CE1 3.96Å; Y45-H72 AromaticContact CE2-CG 3.89Å; Y45-H72 AromaticContact CE2-NE2 3.41Å; Y45-H72 WeakPolarHBondContact CE2-NE2 3.21Å; Y45-H72 HydrophobicContact CG-CB 4.27Å; Y45-Y74 HydrophobicContact CD1-CD1 4.05Å; Y45-Y74 AromaticContact CD1-CE1 3.66Å; Y45-Y74 HydrophobicContact CD1-CE1 3.66Å; Y45-Y74 HydrophobicContact CE1-CE1 4.37Å; Y45-Y74 HydrophobicContact CG-CD1 4.13Å; Y45-Y74 AromaticContact CG-CE1 3.83Å; Y45-Y74 HydrophobicContact CG-CE1 3.83Å
46L86.2Confident88.6Confident102 Ų10251.3 Ų51.353%0.53429%0.289SS..EExtended strand (participates in β ladder)trans-77.5110.7176.3-171.769000109.7P48 G51L46-P48 WeakPolarHBondContact O-CD 3.31Å; L46-G51 VanDerWaalsContact CD1-O 3.25Å; L46-G51 WeakPolarHBondContact CD1-O 3.4Å
47A84.8Confident88.7Confident0 Ų057.7 Ų57.70%031%0.307CS..EExtended strand (participates in β ladder)trans-77.4114179.300000110.3Y45 E49 S50 G51 C52 R54Y45-A47 HydrophobicContact CE2-CB 4.2Å; Y45-A47 PolarHBondContact O-N 3.5Å; A47-E49 VanDerWaalsContact C-N 3.26Å; A47-E49 PolarHBondContact O-N 3.19Å; A47-S50 WeakPolarHBondContact CB-OG 3.35Å; A47-S50 PolarHBondContact O-N 2.93Å; A47-S50 VanDerWaalsContact O-N 3.1Å; A47-S50 PolarHBondContact O-OG 3.39Å; A47-G51 PolarHBondContact O-N 3.03Å; A47-C52 PolarHBondContact N-O 3.25Å; A47-R54 HydrophobicContact CB-CB 4.16Å
48P76.2Confident88.9Confident91 Ų9161 Ų6159%0.59133%0.325SS*.THydrogen-bonded Turntrans-61-31.1-169.522.6-33.2000114L46L46-P48 WeakPolarHBondContact O-CD 3.31Å
49E76.4Confident89.1Confident108 Ų10861.1 Ų61.151%0.50532%0.321SS..THydrogen-bonded Turntrans-73.3-27.5179.965.2-84.3-16400113.7A47 R54A47-E49 VanDerWaalsContact C-N 3.26Å; A47-E49 PolarHBondContact O-N 3.19Å; E49-R54 IonicContact OE1-CZ 3.01Å; E49-R54 IonicContact OE1-NH1 2.68Å; E49-R54 PolarHBondContact OE1-NH1 2.76Å; E49-R54 IonicContact OE1-NH2 3.77Å; E49-R54 PolarHBondContact OE1-NH2 3.47Å
50S78.6Confident89.4Confident20 Ų2060.4 Ų60.414%0.1433%0.325CS..THydrogen-bonded Turntrans-111.6-21-176.263.90000113.1A47 C52A47-S50 WeakPolarHBondContact CB-OG 3.35Å; A47-S50 PolarHBondContact O-N 2.93Å; A47-S50 VanDerWaalsContact O-N 3.1Å; A47-S50 PolarHBondContact O-OG 3.39Å; S50-C52 PolarHBondContact O-N 3.01Å; S50-C52 PolarHBondContact OG-N 3.2Å
51G74.8Confident89.5Confident18 Ų1862 Ų6219%0.18634%0.341CS..THydrogen-bonded Turntrans65.99.5-17000000113.9L46 A47L46-G51 VanDerWaalsContact CD1-O 3.25Å; L46-G51 WeakPolarHBondContact CD1-O 3.4Å; A47-G51 PolarHBondContact O-N 3.03Å
52C78.5Confident89.6Confident33 Ų3362.2 Ų62.222%0.22334%0.337CS..EExtended strand (participates in β ladder)trans-99.2152.1-180-67.90000111.2A47 S50 R54A47-C52 PolarHBondContact N-O 3.25Å; S50-C52 PolarHBondContact O-N 3.01Å; S50-C52 PolarHBondContact OG-N 3.2Å; C52-R54 PolarHBondContact O-N 2.75Å
53L86.3Confident89.7Confident90 Ų9062 Ų6247%0.47133%0.334SS..EExtended strand (participates in β ladder)trans-71.9117.2168.1-72.5167.4000109.1K44 Y45K44-L53 HydrophobicContact CD-CD1 4.21Å; K44-L53 HydrophobicContact CD-CD2 4.47Å; K44-L53 HydrophobicContact CG-CD2 4.45Å; Y45-L53 CarbonylContact O-C 3.45Å; Y45-L53 WeakPolarHBondContact O-CA 3.31Å
54R91.8Very high89.8Confident89 Ų8965.5 Ų65.534%0.33635%0.349SS..EExtended strand (participates in β ladder)trans-99.4127.7175.3-171.4176.4-65.9151.3-1.1109.7K44 Y45 A47 E49 C52K44-R54 CarbonylContact C-O 3.52Å; K44-R54 WeakPolarHBondContact CA-O 3.44Å; Y45-R54 HydrophobicContact CD1-CB 4.17Å; Y45-R54 VanDerWaalsContact CD1-O 3.29Å; Y45-R54 WeakPolarHBondContact CD1-O 3.39Å; Y45-R54 HydrophobicContact CE1-CB 3.76Å; Y45-R54 HydrophobicContact CE1-CG 3.95Å; Y45-R54 PolarHBondContact N-O 3.33Å; Y45-R54 PolarHBondContact O-N 3.11Å; Y45-R54 WeakPolarHBondContact OH-CD 3.45Å; Y45-R54 PolarHBondContact OH-NH1 3.41Å; Y45-R54 VanDerWaalsContact OH-NH1 3.16Å; A47-R54 HydrophobicContact CB-CB 4.16Å; E49-R54 IonicContact OE1-CZ 3.01Å; E49-R54 IonicContact OE1-NH1 2.68Å; E49-R54 PolarHBondContact OE1-NH1 2.76Å; E49-R54 IonicContact OE1-NH2 3.77Å; E49-R54 PolarHBondContact OE1-NH2 3.47Å; C52-R54 PolarHBondContact O-N 2.75Å
55G94.4Very high89.8Confident56 Ų5664.7 Ų64.758%0.57735%0.354SS*.EExtended strand (participates in β ladder)trans-69.3141.1172.300000111.5
56V96.8Very high89.9Confident14 Ų1465.4 Ų65.49%0.08536%0.359CS..PPolyproline II helixtrans-81.6134171177.80000108.6L43 Y45 L58 L63 F64 W70 Y74L43-V56 HydrophobicContact CB-CB 3.88Å; L43-V56 HydrophobicContact CB-CG2 3.62Å; L43-V56 WeakPolarHBondContact O-CB 3.44Å; L43-V56 PolarHBondContact O-N 3Å; Y45-V56 HydrophobicContact CD1-CG2 4.05Å; Y45-V56 HydrophobicContact CE1-CG2 4.49Å; V56-L58 PolarHBondContact O-N 2.75Å; V56-L63 HydrophobicContact CB-CD2 4.25Å; V56-L63 HydrophobicContact CG1-CB 4.04Å; V56-L63 HydrophobicContact CG1-CD2 3.91Å; V56-F64 VanDerWaalsContact CG1-O 3.3Å; V56-F64 WeakPolarHBondContact CG1-O 3.45Å; V56-W70 HydrophobicContact CG1-CH2 3.72Å; V56-W70 HydrophobicContact CG1-CZ3 4.05Å; V56-W70 HydrophobicContact CG2-CZ3 4.44Å; V56-Y74 HydrophobicContact CG2-CD1 3.56Å; V56-Y74 HydrophobicContact CG2-CE1 3.64Å
57R97.5Very high90.1Very high189 Ų18966.8 Ų66.871%0.71338%0.377SS*.EExtended strand (participates in β ladder)trans-64.1119.9-178.6-176.7177-167.3164.43.6110L63 F64R57-L63 WeakPolarHBondContact O-CA 3.42Å; R57-F64 HydrophobicContact CB-CB 4.4Å; R57-F64 PolarHBondContact O-N 2.76Å
58L96.4Very high90.4Very high73 Ų7370.2 Ų70.238%0.38240%0.396SS..EExtended strand (participates in β ladder)trans-103.1126.9170.2177.667.7000109L30 T41 V56 K62 L63L30-L58 HydrophobicContact CB-CD1 4.08Å; L30-L58 HydrophobicContact CD2-CD1 4.12Å; L30-L58 HydrophobicContact CD2-CD2 4Å; T41-L58 WeakPolarHBondContact O-CD2 3.27Å; V56-L58 PolarHBondContact O-N 2.75Å; L58-K62 WeakPolarHBondContact CA-O 3.45Å; L58-L63 HydrophobicContact CB-CD2 3.91Å; L58-L63 HydrophobicContact CD1-CD2 3.97Å; L58-L63 HydrophobicContact CD1-CG 4.04Å
59N95.9Very high91.2Very high95 Ų9567 Ų6751%0.50838%0.379SS..EExtended strand (participates in β ladder)trans-145.1130.2170.9-176.145.7000109.4G61 K62 F64N59-G61 VanDerWaalsContact C-N 3.3Å; N59-G61 PolarHBondContact O-N 3.22Å; N59-K62 PolarHBondContact N-O 3.48Å; N59-K62 WeakPolarHBondContact O-CB 3.31Å; N59-K62 PolarHBondContact O-N 3.46Å; N59-F64 HydrophobicContact CB-CD2 4.44Å; N59-F64 HydrophobicContact CB-CE2 3.86Å
60D94.7Very high92.1Very high151 Ų15164 Ų6481%0.80736%0.363SS*.THydrogen-bonded Turntrans49.646.3178.7-161.331.3000114K62D60-K62 PolarHBondContact O-N 2.88Å; D60-K62 VanDerWaalsContact O-N 3.13Å
61G95.9Very high92.8Very high34 Ų3467 Ų6735%0.35138%0.38SS..THydrogen-bonded Turntrans70.94.8-179.400000115.3L30 N59L30-G61 WeakPolarHBondContact CB-O 3.08Å; L30-G61 PolarHBondContact N-O 2.94Å; N59-G61 VanDerWaalsContact C-N 3.3Å; N59-G61 PolarHBondContact O-N 3.22Å
62K97Very high93.6Very high69 Ų6967.5 Ų67.530%0.338%0.378SS..EExtended strand (participates in β ladder)trans-111.1131.5178-67.5-178.5173.2-163.30111.5D25 T27 L29 L58 N59 D60 F64D25-K62 IonicContact OD2-NZ 3.71Å; D25-K62 PolarHBondContact OD2-NZ 3.2Å; T27-K62 HydrophobicContact CG2-CB 4.28Å; T27-K62 HydrophobicContact CG2-CD 4.42Å; L29-K62 HydrophobicContact CD2-CG 3.92Å; L58-K62 WeakPolarHBondContact CA-O 3.45Å; N59-K62 PolarHBondContact N-O 3.48Å; N59-K62 WeakPolarHBondContact O-CB 3.31Å; N59-K62 PolarHBondContact O-N 3.46Å; D60-K62 PolarHBondContact O-N 2.88Å; D60-K62 VanDerWaalsContact O-N 3.13Å; K62-F64 HydrophobicContact CB-CE2 3.8Å; K62-F64 HydrophobicContact CB-CZ 4.2Å; K62-F64 WeakPolarHBondContact O-CD2 3.48Å; K62-F64 WeakPolarHBondContact O-CE2 3.3Å
63L97.8Very high94.2Very high0 Ų068.8 Ų68.80%038%0.384CS..EExtended strand (participates in β ladder)trans-92.7123.9171.9-68.6159.7000108.9T27 V28 L33 L43 V56 R57 L58 W70T27-L63 CarbonylContact C-O 3.56Å; T27-L63 VanDerWaalsContact CA-O 3.25Å; T27-L63 WeakPolarHBondContact CA-O 3.4Å; T27-L63 VanDerWaalsContact CB-O 3.3Å; T27-L63 WeakPolarHBondContact CB-O 3.46Å; V28-L63 HydrophobicContact CB-CB 4.24Å; V28-L63 HydrophobicContact CG1-CD1 4.48Å; V28-L63 PolarHBondContact N-O 3.47Å; V28-L63 WeakPolarHBondContact O-CB 3.39Å; V28-L63 PolarHBondContact O-N 3.37Å; L33-L63 HydrophobicContact CD2-CD1 3.89Å; L43-L63 HydrophobicContact CD1-CD1 3.96Å; L43-L63 HydrophobicContact CG-CD1 3.99Å; V56-L63 HydrophobicContact CB-CD2 4.25Å; V56-L63 HydrophobicContact CG1-CB 4.04Å; V56-L63 HydrophobicContact CG1-CD2 3.91Å; R57-L63 WeakPolarHBondContact O-CA 3.42Å; L58-L63 HydrophobicContact CB-CD2 3.91Å; L58-L63 HydrophobicContact CD1-CD2 3.97Å; L58-L63 HydrophobicContact CD1-CG 4.04Å; L63-W70 HydrophobicContact CB-CH2 4.22Å
64F97.4Very high94.6Very high79 Ų7964.5 Ų64.535%0.34636%0.362SS..EExtended strand (participates in β ladder)trans-96.4136.6-176.5-69.8-99.2000110.4T27 V56 R57 N59 K62T27-F64 HydrophobicContact CG2-CD1 3.77Å; T27-F64 HydrophobicContact CG2-CE1 3.7Å; T27-F64 HydrophobicContact CG2-CE2 4.5Å; T27-F64 HydrophobicContact CG2-CG 4.22Å; T27-F64 HydrophobicContact CG2-CZ 4.09Å; V56-F64 VanDerWaalsContact CG1-O 3.3Å; V56-F64 WeakPolarHBondContact CG1-O 3.45Å; R57-F64 HydrophobicContact CB-CB 4.4Å; R57-F64 PolarHBondContact O-N 2.76Å; N59-F64 HydrophobicContact CB-CD2 4.44Å; N59-F64 HydrophobicContact CB-CE2 3.86Å; K62-F64 HydrophobicContact CB-CE2 3.8Å; K62-F64 HydrophobicContact CB-CZ 4.2Å; K62-F64 WeakPolarHBondContact O-CD2 3.48Å; K62-F64 WeakPolarHBondContact O-CE2 3.3Å
65A95.9Very high94.7Very high43 Ų4361.1 Ų61.136%0.35535%0.35SS..PPolyproline II helixtrans-54.8139.9176.200000110.7W70A65-W70 VanDerWaalsContact CA-CZ2 3.49Å; A65-W70 HydrophobicContact CB-CD2 4.05Å; A65-W70 HydrophobicContact CB-CG 4.24Å; A65-W70 HydrophobicContact CB-CZ2 4.02Å; A65-W70 VanDerWaalsContact N-CZ2 3.32Å
66P93.8Very high94.7Very high20 Ų2058.5 Ų58.513%0.1332%0.323CS..PPolyproline II helixtrans-53.8165.7162.8-29.239.5000112.7Y45 D68 G69 Y74Y45-P66 HydrophobicContact CD1-CG 4.36Å; Y45-P66 HydrophobicContact CE1-CB 4.31Å; Y45-P66 HydrophobicContact CE1-CG 3.62Å; Y45-P66 WeakPolarHBondContact OH-CB 2.95Å; P66-D68 WeakPolarHBondContact CB-OD1 3.25Å; P66-D68 PolarHBondContact O-N 2.7Å; P66-D68 VanDerWaalsContact O-N 3.15Å; P66-G69 WeakPolarHBondContact O-CA 3.45Å; P66-G69 PolarHBondContact O-N 3.23Å; P66-Y74 HydrophobicContact CG-CE1 4.12Å
67S90.4Very high94.5Very high131 Ų13159.2 Ų59.292%0.91633%0.33SS*.THydrogen-bonded Turntrans-60.2-26.1-178.749.80000114.1
68D91.7Very high94.1Very high72 Ų7253.4 Ų53.439%0.38531%0.31SS..THydrogen-bonded Turntrans-92.72.7175.657.7-28000113.4P66 H72P66-D68 WeakPolarHBondContact CB-OD1 3.25Å; P66-D68 PolarHBondContact O-N 2.7Å; P66-D68 VanDerWaalsContact O-N 3.15Å; D68-H72 IonicContact OD1-NE2 2.64Å; D68-H72 IonicContact OD2-CD2 3.81Å; D68-H72 IonicContact OD2-CE1 3.77Å; D68-H72 PolarHBondContact OD2-CE1 3.25Å; D68-H72 IonicContact OD2-NE2 3.12Å; D68-H72 PolarHBondContact OD2-NE2 3.25Å
69G93.5Very high93.4Very high23 Ų2353.3 Ų53.324%0.23731%0.314CS..  trans83.5-168.2179.400000114.1P66 V71 Y74P66-G69 WeakPolarHBondContact O-CA 3.45Å; P66-G69 PolarHBondContact O-N 3.23Å; G69-V71 VanDerWaalsContact C-N 3.26Å; G69-V71 PolarHBondContact O-N 3.1Å; G69-V71 VanDerWaalsContact O-N 3.07Å; G69-Y74 PolarHBondContact O-OH 3.3Å
70W94.8Very high92.3Very high44 Ų4460 Ų6017%0.16733%0.332CS..SBendtrans-85.656.1-178-63.4117.6000113.1I7 I22 G26 V28 L43 V56 L63 A65 Y74I7-W70 HydrophobicContact CD1-CE3 4.28Å; I7-W70 HydrophobicContact CD1-CZ3 4.24Å; I7-W70 HydrophobicContact CG2-CB 3.5Å; I7-W70 VanDerWaalsContact CG2-CB 3.5Å; I7-W70 HydrophobicContact CG2-CD2 3.54Å; I7-W70 HydrophobicContact CG2-CE3 3.84Å; I7-W70 HydrophobicContact CG2-CG 3.39Å; I22-W70 HydrophobicContact CD1-CB 4.39Å; I22-W70 HydrophobicContact CD1-CG 4.16Å; G26-W70 PolarHBondContact O-NE1 3.42Å; V28-W70 HydrophobicContact CB-CZ2 4.39Å; V28-W70 HydrophobicContact CG2-CH2 4.33Å; V28-W70 HydrophobicContact CG2-CZ2 3.88Å; L43-W70 HydrophobicContact CD1-CZ3 4.43Å; V56-W70 HydrophobicContact CG1-CH2 3.72Å; V56-W70 HydrophobicContact CG1-CZ3 4.05Å; V56-W70 HydrophobicContact CG2-CZ3 4.44Å; L63-W70 HydrophobicContact CB-CH2 4.22Å; A65-W70 VanDerWaalsContact CA-CZ2 3.49Å; A65-W70 HydrophobicContact CB-CD2 4.05Å; A65-W70 HydrophobicContact CB-CG 4.24Å; A65-W70 HydrophobicContact CB-CZ2 4.02Å; A65-W70 VanDerWaalsContact N-CZ2 3.32Å; W70-Y74 WeakPolarHBondContact CA-OH 3.49Å; W70-Y74 HydrophobicContact CE3-CD2 4.26Å; W70-Y74 AromaticContact CE3-CE1 3.92Å; W70-Y74 HydrophobicContact CE3-CE1 3.92Å; W70-Y74 AromaticContact CE3-CE2 3.57Å; W70-Y74 HydrophobicContact CE3-CE2 3.57Å; W70-Y74 AromaticContact CE3-CZ 3.37Å; W70-Y74 HydrophobicContact CZ3-CD1 4.23Å; W70-Y74 AromaticContact CZ3-CE1 3.79Å; W70-Y74 HydrophobicContact CZ3-CE1 3.79Å; W70-Y74 HydrophobicContact CZ3-CE2 4.17Å; W70-Y74 AromaticContact CZ3-CZ 3.76Å
71V93.1Very high90.5Very high83 Ų8359.6 Ų59.650%0.50333%0.33SS..  trans-93.9-20-173.4-63.60000113.6R8 G69R8-V71 PolarHBondContact NH2-O 2.68Å; G69-V71 VanDerWaalsContact C-N 3.26Å; G69-V71 PolarHBondContact O-N 3.1Å; G69-V71 VanDerWaalsContact O-N 3.07Å
72H92Very high88Confident30 Ų3065.1 Ų65.114%0.13935%0.351CS..SBendtrans-84.2170-174.8-55.3-69.8000112.7Y45 D68 Y74Y45-H72 HydrophobicContact CD2-CB 3.97Å; Y45-H72 AromaticContact CD2-CD2 3.37Å; Y45-H72 WeakPolarHBondContact CD2-CD2 3.42Å; Y45-H72 AromaticContact CD2-CG 3.44Å; Y45-H72 VanDerWaalsContact CD2-CG 3.44Å; Y45-H72 AromaticContact CD2-ND1 3.94Å; Y45-H72 AromaticContact CD2-NE2 3.8Å; Y45-H72 AromaticContact CE2-CD2 3.36Å; Y45-H72 WeakPolarHBondContact CE2-CD2 3.4Å; Y45-H72 AromaticContact CE2-CE1 3.96Å; Y45-H72 AromaticContact CE2-CG 3.89Å; Y45-H72 AromaticContact CE2-NE2 3.41Å; Y45-H72 WeakPolarHBondContact CE2-NE2 3.21Å; Y45-H72 HydrophobicContact CG-CB 4.27Å; D68-H72 IonicContact OD1-NE2 2.64Å; D68-H72 IonicContact OD2-CD2 3.81Å; D68-H72 IonicContact OD2-CE1 3.77Å; D68-H72 PolarHBondContact OD2-CE1 3.25Å; D68-H72 IonicContact OD2-NE2 3.12Å; D68-H72 PolarHBondContact OD2-NE2 3.25Å; H72-Y74 HydrophobicContact CB-CD2 4.42Å; H72-Y74 HydrophobicContact CB-CE1 4.37Å; H72-Y74 HydrophobicContact CB-CE2 3.86Å; H72-Y74 WeakPolarHBondContact O-CD2 3.34Å; H72-Y74 VanDerWaalsContact O-CE2 3.26Å; H72-Y74 WeakPolarHBondContact O-CE2 3.39Å
73V91.7Very high85.7Confident60 Ų6071 Ų7136%0.36438%0.377SS..EExtended strand (participates in β ladder)trans-90.8127.3157.1-179.10000106.9R8 P17R8-V73 HydrophobicContact CB-CG2 4.37Å; P17-V73 HydrophobicContact CB-CG1 4.31Å; P17-V73 HydrophobicContact CG-CG1 3.85Å
74Y94.9Very high83Confident0 Ų082.6 Ų82.60%042%0.421CS..EExtended strand (participates in β ladder)trans-103.7137.9-175.9-62.9-94.6000110R8 V9 C10 L43 K44 Y45 V56 P66 G69 W70 H72R8-Y74 PolarHBondContact O-N 3.08Å; V9-Y74 CarbonylContact C-O 3.46Å; V9-Y74 WeakPolarHBondContact CA-O 3.21Å; C10-Y74 PolarHBondContact N-O 3.39Å; L43-Y74 HydrophobicContact CB-CD1 4.34Å; L43-Y74 HydrophobicContact CD1-CG 4.36Å; K44-Y74 CarbonylContact O-C 3.6Å; K44-Y74 WeakPolarHBondContact O-CA 3.29Å; Y45-Y74 HydrophobicContact CD1-CD1 4.05Å; Y45-Y74 AromaticContact CD1-CE1 3.66Å; Y45-Y74 HydrophobicContact CD1-CE1 3.66Å; Y45-Y74 HydrophobicContact CE1-CE1 4.37Å; Y45-Y74 HydrophobicContact CG-CD1 4.13Å; Y45-Y74 AromaticContact CG-CE1 3.83Å; Y45-Y74 HydrophobicContact CG-CE1 3.83Å; V56-Y74 HydrophobicContact CG2-CD1 3.56Å; V56-Y74 HydrophobicContact CG2-CE1 3.64Å; P66-Y74 HydrophobicContact CG-CE1 4.12Å; G69-Y74 PolarHBondContact O-OH 3.3Å; W70-Y74 WeakPolarHBondContact CA-OH 3.49Å; W70-Y74 HydrophobicContact CE3-CD2 4.26Å; W70-Y74 AromaticContact CE3-CE1 3.92Å; W70-Y74 HydrophobicContact CE3-CE1 3.92Å; W70-Y74 AromaticContact CE3-CE2 3.57Å; W70-Y74 HydrophobicContact CE3-CE2 3.57Å; W70-Y74 AromaticContact CE3-CZ 3.37Å; W70-Y74 HydrophobicContact CZ3-CD1 4.23Å; W70-Y74 AromaticContact CZ3-CE1 3.79Å; W70-Y74 HydrophobicContact CZ3-CE1 3.79Å; W70-Y74 HydrophobicContact CZ3-CE2 4.17Å; W70-Y74 AromaticContact CZ3-CZ 3.76Å; H72-Y74 HydrophobicContact CB-CD2 4.42Å; H72-Y74 HydrophobicContact CB-CE1 4.37Å; H72-Y74 HydrophobicContact CB-CE2 3.86Å; H72-Y74 WeakPolarHBondContact O-CD2 3.34Å; H72-Y74 VanDerWaalsContact O-CE2 3.26Å; H72-Y74 WeakPolarHBondContact O-CE2 3.39Å
75Q92.9Very high80.4Confident17 Ų1788.8 Ų88.88%0.07945%0.447CS..EExtended strand (participates in β ladder)trans-96.7144.9172.2-64.8172.5-0.100110C10 D13 L43 K44C10-Q75 CarbonylContact O-C 3.52Å; C10-Q75 WeakPolarHBondContact O-CA 3.26Å; D13-Q75 PolarHBondContact OD1-NE2 3.4Å; D13-Q75 PolarHBondContact OD2-NE2 2.97Å; L43-Q75 CarbonylContact C-O 3.39Å; L43-Q75 WeakPolarHBondContact CA-O 3.37Å; K44-Q75 HydrophobicContact CD-CB 4.42Å; K44-Q75 HydrophobicContact CG-CB 3.85Å; K44-Q75 WeakPolarHBondContact CG-O 3.29Å; K44-Q75 PolarHBondContact N-O 3.22Å; K44-Q75 PolarHBondContact O-N 2.85Å
76C94Very high77.5Confident2 Ų290 Ų901%0.01446%0.464CS..EExtended strand (participates in β ladder)trans-65.4141.2171.7-69.80000111.7V9 C10 F37 K44 F78V9-C76 VanDerWaalsContact CG1-SG 3.6Å; C10-C76 PolarHBondContact O-N 3.16Å; F37-C76 VanDerWaalsContact CD2-SG 3.57Å; F37-C76 WeakPolarHBondContact CG-SG 3.2Å; K44-C76 VanDerWaalsContact CE-O 3.26Å; K44-C76 WeakPolarHBondContact CE-O 3.24Å; C76-F78 HydrophobicContact CB-CD2 4.27Å; C76-F78 HydrophobicContact CB-CE1 4.3Å; C76-F78 HydrophobicContact CB-CE2 3.44Å; C76-F78 VanDerWaalsContact CB-CE2 3.44Å; C76-F78 HydrophobicContact CB-CZ 3.46Å; C76-F78 VanDerWaalsContact CB-CZ 3.46Å
77A92.4Very high75.1Confident28 Ų2896.1 Ų96.123%0.23149%0.494CS..EExtended strand (participates in β ladder)trans-100.9123.5168.600000109.3S40 T41 G42S40-A77 CarbonylContact C-O 3.51Å; T41-A77 PolarHBondContact N-O 3.44Å; T41-A77 PolarHBondContact OG1-O 2.86Å; G42-A77 PolarHBondContact O-N 3.47Å
78F89.7Confident72.8Confident67 Ų6797.6 Ų97.629%0.29449%0.486SS..  trans-109.3149.7177.3-61-78.6000111.2E11 P38 K39 C76 R80E11-F78 HydrophobicContact CG-CE2 3.78Å; E11-F78 HydrophobicContact CG-CZ 3.78Å; P38-F78 WeakPolarHBondContact O-CE1 3.08Å; K39-F78 HydrophobicContact CB-CD1 4.3Å; C76-F78 HydrophobicContact CB-CD2 4.27Å; C76-F78 HydrophobicContact CB-CE1 4.3Å; C76-F78 HydrophobicContact CB-CE2 3.44Å; C76-F78 VanDerWaalsContact CB-CE2 3.44Å; C76-F78 HydrophobicContact CB-CZ 3.46Å; C76-F78 VanDerWaalsContact CB-CZ 3.46Å; F78-R80 PolarHBondContact O-N 3.38Å
79P82.5Confident70.8Confident71 Ų71101.7 Ų101.746%0.46150%0.503SS..  trans-55.4130.9170.5-15.725.1000109.8K39 T41 D81K39-P79 VanDerWaalsContact O-CD 3.25Å; K39-P79 WeakPolarHBondContact O-CD 3.4Å; T41-P79 HydrophobicContact CG2-CG 3.65Å; P79-D81 PolarHBondContact O-N 2.74Å; P79-D81 VanDerWaalsContact O-N 3.16Å
80R72.2Confident68.4Low236 Ų236108.6 Ų108.689%0.89153%0.527SS*.  trans-76.8102.6169.3-67.6-173.5179.5-173-0.9108.4F78 N82F78-R80 PolarHBondContact O-N 3.38Å; R80-N82 PolarHBondContact O-N 2.8Å; R80-N82 VanDerWaalsContact O-N 3.1Å
81D57.5Low66Low143 Ų143111.8 Ų111.877%0.76555%0.547SS*.  trans-64.1109.1172.4-84.8-38.1000109.8P79 K83P79-D81 PolarHBondContact O-N 2.74Å; P79-D81 VanDerWaalsContact O-N 3.16Å; D81-K83 PolarHBondContact O-N 3.13Å
82N43.7Very low63.7Low149 Ų149113 Ų11380%0.79755%0.55SS*.  trans-72.930.2178.8-104.4-7.6000113.7R80R80-N82 PolarHBondContact O-N 2.8Å; R80-N82 VanDerWaalsContact O-N 3.1Å
83K47.8Very low61.5Low193 Ų193119 Ų11984%0.83957%0.572SS**  trans-112.186.6-174.4-118179.6-178.6177.90112.4D81D81-K83 PolarHBondContact O-N 3.13Å
84R41.2Very low59.3Low244 Ų244119.4 Ų119.492%0.92158%0.578SS**  trans22.1100.5149.1-66.6178.3179.6169.9-0.7118.2
85K41.9Very low56.9Low209 Ų209123.2 Ų123.291%0.90960%0.604SS**  -136.9105.8129.1-79.8-176.3174.4179.20104.5
86G35.4Very low54.7Low69 Ų69127.2 Ų127.271%0.71162%0.622SS**  50.6104.491.600000110
87I43.1Very low52.5Low147 Ų147132.4 Ų132.475%0.75464%0.644SS**  cis-165142.241.1-79.1150.8000107.6
88E43Very low50.3Low162 Ų162140 Ų14076%0.75767%0.672SS**SBendtrans79-6.9154.7-75.7172-165.200126.9
89E49.9Very low48.2Very low158 Ų158143.3 Ų143.374%0.73869%0.686SS**SBendtrans-89.4-24.8-178.4-75.3-175.9161.200116.5D91E89-D91 PolarHBondContact O-N 3.48Å
90K42.2Very low46.7Very low168 Ų168141.5 Ų141.573%0.7367%0.673SS**Hα-helixtrans-78.4-14.7-172.9-95.2-179.9175.1174.60114.9S94K90-S94 PolarHBondContact O-N 3.14Å
91D44.1Very low45.5Very low112 Ų112138.8 Ų138.860%0.59967%0.67SS**Hα-helixtrans-85.5-21.4-174.2-68.3-33.1000113.5E89 S95E89-D91 PolarHBondContact O-N 3.48Å; D91-S95 WeakPolarHBondContact O-CB 3.24Å; D91-S95 PolarHBondContact O-N 3.26Å; D91-S95 VanDerWaalsContact O-N 3.1Å; D91-S95 PolarHBondContact O-OG 3.46Å
92I44.9Very low45.2Very low108 Ų108141.4 Ų141.455%0.55468%0.677SS**Hα-helixtrans-70.7-37179.7-69.6172.3000111.8K96I92-K96 WeakPolarHBondContact O-CG 3.4Å
93Y46.5Very low46Very low156 Ų156139.4 Ų139.461%0.61266%0.662SS**Hα-helixtrans-82.8-48.3178.3-70.9-84.5000111.3S95 K96 F97Y93-S95 VanDerWaalsContact C-N 3.32Å; Y93-S95 PolarHBondContact O-N 2.87Å; Y93-K96 PolarHBondContact O-N 2.9Å; Y93-K96 VanDerWaalsContact O-N 3.09Å; Y93-F97 VanDerWaalsContact O-CD2 3.31Å; Y93-F97 WeakPolarHBondContact O-CD2 3.17Å; Y93-F97 PolarHBondContact O-N 2.93Å
94S45.3Very low47.3Very low69 Ų69139.3 Ų139.348%0.48366%0.661SS.*Hα-helixtrans-66.9-30.1-176.4-151.10000113.5K90 K96 F97 K98K90-S94 PolarHBondContact O-N 3.14Å; S94-K96 VanDerWaalsContact C-N 3.35Å; S94-F97 WeakPolarHBondContact O-CB 3.41Å; S94-F97 PolarHBondContact O-N 2.56Å; S94-K98 PolarHBondContact O-N 2.79Å
95S45.3Very low49.1Very low79 Ų79128.8 Ų128.855%0.55263%0.625SS**Hα-helixtrans-72.4-26.5174.6-56.40000113.1D91 Y93D91-S95 WeakPolarHBondContact O-CB 3.24Å; D91-S95 PolarHBondContact O-N 3.26Å; D91-S95 VanDerWaalsContact O-N 3.1Å; D91-S95 PolarHBondContact O-OG 3.46Å; Y93-S95 VanDerWaalsContact C-N 3.32Å; Y93-S95 PolarHBondContact O-N 2.87Å
96K46.1Very low51.2Low102 Ų102120.6 Ų120.644%0.44359%0.593SS.*Hα-helixtrans-73.1-32170.3-72.6-178.1-179.9178.70111.4I92 Y93 S94 E190I92-K96 WeakPolarHBondContact O-CG 3.4Å; Y93-K96 PolarHBondContact O-N 2.9Å; Y93-K96 VanDerWaalsContact O-N 3.09Å; S94-K96 VanDerWaalsContact C-N 3.35Å; K96-E190 IonicContact NZ-OE1 2.75Å
97F48.9Very low53.8Low110 Ų110119.2 Ų119.248%0.48257%0.569SS.*Hα-helixtrans-67.8-46179.8-93.4-89.3000113.7Y93 S94 K99 L100 I161Y93-F97 VanDerWaalsContact O-CD2 3.31Å; Y93-F97 WeakPolarHBondContact O-CD2 3.17Å; Y93-F97 PolarHBondContact O-N 2.93Å; S94-F97 WeakPolarHBondContact O-CB 3.41Å; S94-F97 PolarHBondContact O-N 2.56Å; F97-K99 PolarHBondContact O-N 2.88Å; F97-L100 PolarHBondContact O-N 3.48Å; F97-I161 HydrophobicContact CE1-CD1 4.05Å; F97-I161 HydrophobicContact CE1-CG2 3.81Å; F97-I161 HydrophobicContact CZ-CG2 3.54Å
98K44.3Very low56.2Low187 Ų187112.2 Ų112.281%0.81353%0.533SS*.THydrogen-bonded Turntrans-69.1-15.7-178.6-81.7-175.1174.9-179.20115S94S94-K98 PolarHBondContact O-N 2.79Å
99K46Very low58.5Low137 Ų137105.7 Ų105.760%0.59650%0.503SS*.THydrogen-bonded Turntrans-1003.8179.9-149.8177.1-177.1-176.30113.1F97 K103F97-K99 PolarHBondContact O-N 2.88Å; K99-K103 WeakPolarHBondContact O-CD 3.29Å; K99-K103 VanDerWaalsContact O-CE 3.24Å; K99-K103 WeakPolarHBondContact O-CE 3.34Å; K99-K103 PolarHBondContact O-NZ 3.16Å
100L52.1Low60.5Low34 Ų3498.1 Ų98.118%0.17847%0.468CS..THydrogen-bonded Turntrans-101.6-24.2-174-136.174.3000113.9F97 E102 K103 M157 I161F97-L100 PolarHBondContact O-N 3.48Å; L100-E102 PolarHBondContact O-N 2.94Å; L100-K103 HydrophobicContact CD1-CD 4.36Å; L100-K103 PolarHBondContact O-N 3.28Å; L100-M157 HydrophobicContact CB-CE 4.32Å; L100-M157 HydrophobicContact CB-SD 3.87Å; L100-M157 HydrophobicContact CD2-CE 3.8Å; L100-M157 HydrophobicContact CD2-CG 4.03Å; L100-M157 HydrophobicContact CD2-SD 3.62Å; L100-M157 HydrophobicContact CG-CE 3.55Å; L100-M157 HydrophobicContact CG-SD 3.62Å; L100-M157 VanDerWaalsContact O-CE 3.27Å; L100-M157 WeakPolarHBondContact O-CE 3.36Å; L100-I161 HydrophobicContact CD2-CD1 4.31Å; L100-I161 HydrophobicContact CD2-CG1 4.21Å
101E46.6Very low62.7Low179 Ų17992 Ų9284%0.83644%0.443SS*.THydrogen-bonded Turntrans-59.6-15.1-171.4-74.7-173.214700116.3
102E52Low64.7Low197 Ų19788.5 Ų88.592%0.92142%0.424SS*.THydrogen-bonded Turntrans-1081.7173.9-69.5-174.9158.500114.2L100L100-E102 PolarHBondContact O-N 2.94Å
103K58.8Low66.8Low108 Ų10883.5 Ų83.547%0.4740%0.398SS..PPolyproline II helixtrans-95.7140.9-170.1-68.9-177.7178.9174.70111.8K99 L100 M157K99-K103 WeakPolarHBondContact O-CD 3.29Å; K99-K103 VanDerWaalsContact O-CE 3.24Å; K99-K103 WeakPolarHBondContact O-CE 3.34Å; K99-K103 PolarHBondContact O-NZ 3.16Å; L100-K103 HydrophobicContact CD1-CD 4.36Å; L100-K103 PolarHBondContact O-N 3.28Å; K103-M157 HydrophobicContact CB-CE 4.12Å; K103-M157 WeakPolarHBondContact O-CE 3.44Å
104K75.1Confident68.8Low190 Ų19076.6 Ų76.683%0.82637%0.373SS*.PPolyproline II helixtrans-65.3151.7166.3-66.5-179.4178.2179.30109.5T106K104-T106 PolarHBondContact O-N 2.91Å
105C80.7Confident71Confident24 Ų2483.3 Ų83.316%0.16239%0.388CS..PPolyproline II helixtrans-52.7136170.9-56.50000110.4R153 Y154 D156 M157C105-R153 HydrophobicContact CB-CG 4.22Å; C105-Y154 WeakPolarHBondContact CB-O 3.4Å; C105-D156 PolarHBondContact SG-O 2.79Å; C105-M157 PolarHBondContact SG-N 2.97Å; C105-M157 VanDerWaalsContact SG-N 3.39Å
106T85.1Confident73.2Confident37 Ų3786.7 Ų86.723%0.22739%0.393CS..  trans-104.4144.9178.853.70000109.3K104 L108 Q160 K183K104-T106 PolarHBondContact O-N 2.91Å; T106-L108 PolarHBondContact O-N 3.22Å; T106-L108 VanDerWaalsContact O-N 3.16Å; T106-Q160 PolarHBondContact O-OE1 2.84Å; T106-Q160 VanDerWaalsContact O-OE1 3.12Å; T106-Q160 PolarHBondContact OG1-NE2 3.07Å; T106-K183 HydrophobicContact CG2-CD 4.42Å
107D90.7Very high75.4Confident39 Ų3981.8 Ų81.821%0.20937%0.372CS..PPolyproline II helixtrans-55.4125.4168.5-38.2-35.4000110F151 I152 R153 P180 K183D107-F151 HydrophobicContact CB-CD1 4.31Å; D107-I152 CarbonylContact C-O 3.57Å; D107-I152 WeakPolarHBondContact CA-O 3.44Å; D107-R153 VanDerWaalsContact OD1-CD 3.27Å; D107-R153 WeakPolarHBondContact OD1-CD 3.48Å; D107-R153 IonicContact OD1-CZ 3.63Å; D107-R153 IonicContact OD1-NE 3.74Å; D107-R153 IonicContact OD1-NH1 2.82Å; D107-R153 PolarHBondContact OD1-NH1 3.21Å; D107-P180 WeakPolarHBondContact O-CD 3.37Å; D107-P180 VanDerWaalsContact O-CG 3.31Å; D107-P180 WeakPolarHBondContact O-CG 3.44Å; D107-K183 IonicContact OD1-NZ 2.74Å; D107-K183 IonicContact OD2-NZ 2.71Å; D107-K183 PolarHBondContact OD2-NZ 3.39Å
108L92.1Very high77.7Confident0 Ų079.1 Ų79.10%036%0.363CS..EExtended strand (participates in β ladder)trans-87.8141.7169.5-55-176.5000108.7T106 F151 I152 Y154 Q160 C163 L164 V177 R178 I179T106-L108 PolarHBondContact O-N 3.22Å; T106-L108 VanDerWaalsContact O-N 3.16Å; L108-F151 WeakPolarHBondContact O-CA 3.41Å; L108-I152 HydrophobicContact CB-CG1 3.86Å; L108-I152 HydrophobicContact CD1-CD1 4.35Å; L108-I152 HydrophobicContact CD1-CG1 4.36Å; L108-I152 HydrophobicContact CG-CG1 4.47Å; L108-I152 PolarHBondContact N-O 2.92Å; L108-I152 PolarHBondContact O-N 2.65Å; L108-Y154 HydrophobicContact CD1-CD2 4.45Å; L108-Y154 HydrophobicContact CD1-CE2 4.31Å; L108-Q160 HydrophobicContact CD1-CG 3.87Å; L108-Q160 HydrophobicContact CD2-CG 3.8Å; L108-Q160 HydrophobicContact CG-CG 4.04Å; L108-C163 HydrophobicContact CD1-CB 4.5Å; L108-L164 HydrophobicContact CD1-CD2 4.27Å; L108-L164 HydrophobicContact CD1-CG 4.12Å; L108-L164 HydrophobicContact CD2-CD1 3.98Å; L108-L164 HydrophobicContact CD2-CD2 4.09Å; L108-L164 HydrophobicContact CD2-CG 4.18Å; L108-V177 HydrophobicContact CB-CG1 4.02Å; L108-V177 HydrophobicContact CD1-CG1 3.82Å; L108-R178 WeakPolarHBondContact CA-O 3.44Å; L108-I179 HydrophobicContact CD2-CG1 4Å
109I91.7Very high80.2Confident25 Ų2573 Ų7313%0.12834%0.337CS..EExtended strand (participates in β ladder)trans-91.4134.8168.9-171.4167.1000109.2L111 Y149 F151 V177 R178 P180I109-L111 HydrophobicContact CD1-CD2 3.62Å; I109-L111 HydrophobicContact CD1-CG 4.27Å; I109-L111 HydrophobicContact CG1-CD2 3.83Å; I109-L111 HydrophobicContact CG1-CG 4.07Å; I109-Y149 HydrophobicContact CD1-CD2 4.02Å; I109-Y149 HydrophobicContact CG1-CD2 4.29Å; I109-F151 HydrophobicContact CB-CD1 4.12Å; I109-F151 HydrophobicContact CB-CE1 3.82Å; I109-F151 HydrophobicContact CB-CZ 4.49Å; I109-F151 HydrophobicContact CD1-CE1 4.12Å; I109-F151 HydrophobicContact CD1-CZ 3.98Å; I109-F151 HydrophobicContact CG1-CD1 4.46Å; I109-F151 HydrophobicContact CG1-CE1 4Å; I109-F151 HydrophobicContact CG1-CZ 4.19Å; I109-V177 WeakPolarHBondContact O-CA 3.37Å; I109-R178 HydrophobicContact CG2-CG 3.62Å; I109-R178 WeakPolarHBondContact CG2-O 3.47Å; I109-R178 PolarHBondContact N-O 3.25Å; I109-R178 PolarHBondContact O-N 3.26Å; I109-P180 HydrophobicContact CB-CG 4.01Å; I109-P180 HydrophobicContact CG2-CB 4.39Å; I109-P180 HydrophobicContact CG2-CG 4.15Å
110V91.9Very high82.6Confident0 Ų070 Ų700%033%0.333CS..EExtended strand (participates in β ladder)trans-111.9112.9174.4-171.20000108.2L113 F126 Y149 G150 I152 C175 V177V110-L113 HydrophobicContact CB-CD1 4.46Å; V110-L113 HydrophobicContact CG1-CD1 4.33Å; V110-L113 HydrophobicContact CG1-CD2 3.57Å; V110-L113 HydrophobicContact CG1-CG 4.04Å; V110-F126 HydrophobicContact CG1-CE2 4.04Å; V110-F126 HydrophobicContact CG1-CZ 4.01Å; V110-F126 HydrophobicContact CG2-CE2 3.88Å; V110-F126 HydrophobicContact CG2-CZ 3.98Å; V110-Y149 CarbonylContact O-C 3.48Å; V110-Y149 WeakPolarHBondContact O-CA 3.17Å; V110-Y149 VanDerWaalsContact O-CB 3.31Å; V110-Y149 WeakPolarHBondContact O-CB 3.27Å; V110-G150 PolarHBondContact N-O 3.49Å; V110-G150 PolarHBondContact O-N 3.12Å; V110-I152 HydrophobicContact CG2-CD1 4.02Å; V110-I152 HydrophobicContact CG2-CG1 4.01Å; V110-I152 HydrophobicContact CG2-CG2 4.19Å; V110-C175 HydrophobicContact CG1-CB 4.08Å; V110-V177 HydrophobicContact CG1-CG2 4.07Å; V110-V177 HydrophobicContact CG2-CG2 4.17Å
111L88.3Confident84.7Confident39 Ų3970.5 Ų70.520%0.20434%0.337CS..EExtended strand (participates in β ladder)trans-104.8162.1-175.6-62.5170.4000111.6I109 L113 C175 D176I109-L111 HydrophobicContact CD1-CD2 3.62Å; I109-L111 HydrophobicContact CD1-CG 4.27Å; I109-L111 HydrophobicContact CG1-CD2 3.83Å; I109-L111 HydrophobicContact CG1-CG 4.07Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 2.57Å; L111-C175 VanDerWaalsContact O-CA 3.27Å; L111-C175 WeakPolarHBondContact O-CA 3.37Å; L111-C175 WeakPolarHBondContact O-CB 3.42Å; L111-D176 HydrophobicContact CB-CB 4.26Å; L111-D176 PolarHBondContact N-O 3.04Å; L111-D176 PolarHBondContact O-N 2.95Å
112N87.1Confident87.1Confident38 Ų3862 Ų6220%0.20330%0.297CS..SBendtrans62.929.8178.5-160.937.1000114.7G148 R173 L174 D221N112-G148 PolarHBondContact N-O 3.45Å; N112-R173 PolarHBondContact O-NE 2.93Å; N112-R173 PolarHBondContact OD1-NH2 2.74Å; N112-L174 PolarHBondContact ND2-O 3.45Å; N112-D221 PolarHBondContact ND2-OD2 3.39Å
113L89.4Confident89.2Confident4 Ų458.2 Ų58.22%0.02128%0.278CS..  trans-65.9147174-63.9177.5000111.2V110 L111 T117 L122 G148 I170 C175V110-L113 HydrophobicContact CB-CD1 4.46Å; V110-L113 HydrophobicContact CG1-CD1 4.33Å; V110-L113 HydrophobicContact CG1-CD2 3.57Å; V110-L113 HydrophobicContact CG1-CG 4.04Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 2.57Å; L113-T117 HydrophobicContact CD2-CG2 4.41Å; L113-L122 HydrophobicContact CD1-CD1 3.84Å; L113-L122 HydrophobicContact CD1-CD2 3.93Å; L113-L122 HydrophobicContact CD1-CG 4.38Å; L113-L122 HydrophobicContact CD2-CD2 3.66Å; L113-L122 HydrophobicContact CG-CD2 4.46Å; L113-G148 PolarHBondContact N-O 3.03Å; L113-I170 HydrophobicContact CD2-CD1 4.22Å; L113-C175 HydrophobicContact CD2-CB 4.13Å
114A88.4Confident91Very high10 Ų1060.7 Ų60.78%0.08329%0.291CS..  trans-63.4143.7168.400000109K116 T117 D171A114-K116 HydrophobicContact CB-CG 3.99Å; A114-K116 PolarHBondContact O-N 3.01Å; A114-K116 VanDerWaalsContact O-N 3.11Å; A114-T117 WeakPolarHBondContact CB-OG1 3.47Å; A114-T117 PolarHBondContact N-OG1 2.9Å; A114-T117 VanDerWaalsContact O-CB 3.28Å; A114-T117 WeakPolarHBondContact O-CB 3.5Å; A114-T117 PolarHBondContact O-N 2.74Å; A114-T117 PolarHBondContact O-OG1 3.05Å; A114-D171 HydrophobicContact CB-CB 3.86Å
115W90.7Very high91.9Very high210 Ų21052.6 Ų52.680%0.79526%0.256SS*.THydrogen-bonded Turntrans-65.4-19.2-177.3-60-13.1000113.4S146W115-S146 WeakPolarHBondContact O-CB 3.16Å
116K91.9Very high92.7Very high150 Ų15051.5 Ų51.565%0.65225%0.248SC*.THydrogen-bonded Turntrans-80.1-20172.464.5169.8-173.6150.50113.7A114 D118 D171A114-K116 HydrophobicContact CB-CG 3.99Å; A114-K116 PolarHBondContact O-N 3.01Å; A114-K116 VanDerWaalsContact O-N 3.11Å; K116-D118 PolarHBondContact O-N 3.33Å; K116-D171 WeakPolarHBondContact CE-OD1 3.41Å; K116-D171 IonicContact NZ-OD1 2.81Å; K116-D171 PolarHBondContact NZ-OD1 3.06Å
117T92.6Very high93.2Very high0 Ų052 Ų520%025%0.254CS..  trans-65.7128.2-177.4-51.70000109.5L113 A114 T121 L122 I170 D171L113-T117 HydrophobicContact CD2-CG2 4.41Å; A114-T117 WeakPolarHBondContact CB-OG1 3.47Å; A114-T117 PolarHBondContact N-OG1 2.9Å; A114-T117 VanDerWaalsContact O-CB 3.28Å; A114-T117 WeakPolarHBondContact O-CB 3.5Å; A114-T117 PolarHBondContact O-N 2.74Å; A114-T117 PolarHBondContact O-OG1 3.05Å; T117-T121 HydrophobicContact CG2-CG2 4.02Å; T117-L122 HydrophobicContact CG2-CD2 3.74Å; T117-L122 HydrophobicContact CG2-CG 4.07Å; T117-I170 HydrophobicContact CG2-CG2 3.83Å; T117-D171 WeakPolarHBondContact CB-OD2 3.37Å; T117-D171 PolarHBondContact OG1-OD2 3.35Å
118D95.8Very high93.3Very high54 Ų5456.3 Ų56.329%0.28927%0.267SS..  trans-115.2177.9179.966.620.9000112.4K116 S120 T121 L122K116-D118 PolarHBondContact O-N 3.33Å; D118-S120 VanDerWaalsContact C-N 3.25Å; D118-S120 PolarHBondContact O-N 2.68Å; D118-S120 WeakPolarHBondContact OD1-CB 3.48Å; D118-S120 PolarHBondContact OD1-N 2.74Å; D118-S120 VanDerWaalsContact OD1-N 3.08Å; D118-S120 PolarHBondContact OD1-OG 3.18Å; D118-S120 PolarHBondContact OD2-OG 2.91Å; D118-S120 VanDerWaalsContact OD2-OG 3.14Å; D118-T121 PolarHBondContact O-N 2.92Å; D118-T121 PolarHBondContact OD1-N 3.08Å; D118-T121 PolarHBondContact OD1-OG1 2.8Å; D118-L122 WeakPolarHBondContact O-CG 3.38Å; D118-L122 PolarHBondContact O-N 2.95Å
119E97.2Very high93.3Very high59 Ų5957.3 Ų57.328%0.27627%0.271SS..Hα-helixtrans-59.6-34.1179.6-69.781.3173.400112.7K123 V135 V137 R139E119-K123 VanDerWaalsContact O-CB 3.24Å; E119-K123 WeakPolarHBondContact O-CB 3.38Å; E119-K123 PolarHBondContact O-N 2.88Å; E119-V135 HydrophobicContact CB-CG1 4.28Å; E119-V135 WeakPolarHBondContact O-CG1 3.24Å; E119-V137 HydrophobicContact CG-CB 4.31Å; E119-V137 HydrophobicContact CG-CG2 4.07Å; E119-V137 WeakPolarHBondContact OE1-CB 3.26Å; E119-V137 PolarHBondContact OE1-N 2.92Å; E119-R139 IonicContact OE1-NE 2.69Å; E119-R139 IonicContact OE2-CZ 3.9Å; E119-R139 IonicContact OE2-NE 3.34Å; E119-R139 IonicContact OE2-NH2 2.74Å; E119-R139 PolarHBondContact OE2-NH2 3.39Å
120S96.7Very high93.4Very high74 Ų7457 Ų5752%0.51727%0.274SS..Hα-helixtrans-65.5-49.117620.10000111.6D118 L122 K123 E124D118-S120 VanDerWaalsContact C-N 3.25Å; D118-S120 PolarHBondContact O-N 2.68Å; D118-S120 WeakPolarHBondContact OD1-CB 3.48Å; D118-S120 PolarHBondContact OD1-N 2.74Å; D118-S120 VanDerWaalsContact OD1-N 3.08Å; D118-S120 PolarHBondContact OD1-OG 3.18Å; D118-S120 PolarHBondContact OD2-OG 2.91Å; D118-S120 VanDerWaalsContact OD2-OG 3.14Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 2.88Å; S120-K123 PolarHBondContact O-N 2.81Å; S120-E124 WeakPolarHBondContact O-CB 3.5Å; S120-E124 PolarHBondContact O-N 3.26Å
121T96Very high93.5Very high43 Ų4362.6 Ų62.626%0.26430%0.304SS..Hα-helixtrans-60.7-43.5177.4-54.20000111.3T117 D118 Y125 I170T117-T121 HydrophobicContact CG2-CG2 4.02Å; D118-T121 PolarHBondContact O-N 2.92Å; D118-T121 PolarHBondContact OD1-N 3.08Å; D118-T121 PolarHBondContact OD1-OG1 2.8Å; T121-Y125 VanDerWaalsContact O-CB 3.3Å; T121-Y125 WeakPolarHBondContact O-CB 3.36Å; T121-Y125 PolarHBondContact O-N 3.12Å; T121-I170 HydrophobicContact CG2-CG2 3.88Å
122L96.6Very high93.9Very high0 Ų062 Ų620%030%0.301CS..Hα-helixtrans-62.4-45175.5-69.4-170.1000111.8L113 T117 D118 S120 Y125 F126 V135 V137 I170L113-L122 HydrophobicContact CD1-CD1 3.84Å; L113-L122 HydrophobicContact CD1-CD2 3.93Å; L113-L122 HydrophobicContact CD1-CG 4.38Å; L113-L122 HydrophobicContact CD2-CD2 3.66Å; L113-L122 HydrophobicContact CG-CD2 4.46Å; T117-L122 HydrophobicContact CG2-CD2 3.74Å; T117-L122 HydrophobicContact CG2-CG 4.07Å; D118-L122 WeakPolarHBondContact O-CG 3.38Å; D118-L122 PolarHBondContact O-N 2.95Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 2.88Å; L122-Y125 PolarHBondContact O-N 3.47Å; L122-F126 HydrophobicContact CB-CD2 4.44Å; L122-F126 HydrophobicContact CD2-CD2 4.43Å; L122-F126 HydrophobicContact CD2-CE2 4.06Å; L122-F126 WeakPolarHBondContact O-CB 3.35Å; L122-F126 WeakPolarHBondContact O-CD2 3.27Å; L122-F126 PolarHBondContact O-N 3.38Å; L122-V135 HydrophobicContact CB-CG1 3.61Å; L122-V135 HydrophobicContact CD1-CG1 4.21Å; L122-V137 HydrophobicContact CD1-CG2 3.56Å; L122-V137 HydrophobicContact CG-CG2 4.25Å; L122-I170 HydrophobicContact CD2-CD1 3.74Å
123K96.8Very high94.2Very high119 Ų11963.7 Ų63.752%0.51731%0.312SS..Hα-helixtrans-61.6-50.6179.9-173.6177.7-178.7-178.90110.6E119 S120 Y125 S127 L132 V135E119-K123 VanDerWaalsContact O-CB 3.24Å; E119-K123 WeakPolarHBondContact O-CB 3.38Å; E119-K123 PolarHBondContact O-N 2.88Å; S120-K123 PolarHBondContact O-N 2.81Å; K123-Y125 VanDerWaalsContact C-N 3.33Å; K123-Y125 PolarHBondContact O-N 3.27Å; K123-S127 WeakPolarHBondContact O-CB 3.47Å; K123-S127 PolarHBondContact O-N 2.88Å; K123-S127 PolarHBondContact O-OG 2.8Å; K123-L132 HydrophobicContact CG-CD1 4.25Å; K123-V135 HydrophobicContact CB-CG2 4.06Å; K123-V135 HydrophobicContact CG-CG2 4.29Å
124E96Very high94.4Very high159 Ų15965.9 Ų65.974%0.74333%0.326SS*.Hα-helixtrans-57.1-46.9177.9-176.5178.2-177.900111.5S120S120-E124 WeakPolarHBondContact O-CB 3.5Å; S120-E124 PolarHBondContact O-N 3.26Å
125Y95.3Very high94.8Very high21 Ų2167 Ų678%0.08233%0.331CS..Hα-helixtrans-63.2-54.2-179.8-172.2-90.8000112.2T121 L122 K123 S127 R128 H168 S169 I170T121-Y125 VanDerWaalsContact O-CB 3.3Å; T121-Y125 WeakPolarHBondContact O-CB 3.36Å; T121-Y125 PolarHBondContact O-N 3.12Å; L122-Y125 PolarHBondContact O-N 3.47Å; K123-Y125 VanDerWaalsContact C-N 3.33Å; K123-Y125 PolarHBondContact O-N 3.27Å; Y125-S127 PolarHBondContact O-N 2.77Å; Y125-R128 VanDerWaalsContact CE2-NH2 3.28Å; Y125-R128 WeakPolarHBondContact O-CD 3Å; Y125-R128 VanDerWaalsContact O-CG 3.26Å; Y125-R128 WeakPolarHBondContact O-CG 3.32Å; Y125-R128 PolarHBondContact O-NE 3.45Å; Y125-H168 HydrophobicContact CE1-CB 4.07Å; Y125-H168 AromaticContact CE1-ND1 3.59Å; Y125-H168 WeakPolarHBondContact OH-CA 3.25Å; Y125-S169 WeakPolarHBondContact CE2-O 3.29Å; Y125-S169 PolarHBondContact OH-N 3.38Å; Y125-S169 PolarHBondContact OH-O 2.85Å; Y125-I170 HydrophobicContact CD1-CD1 3.63Å; Y125-I170 HydrophobicContact CD1-CG1 3.77Å; Y125-I170 HydrophobicContact CD2-CD1 4.47Å; Y125-I170 HydrophobicContact CD2-CG1 3.84Å; Y125-I170 HydrophobicContact CE1-CD1 4.04Å; Y125-I170 HydrophobicContact CE1-CG1 3.87Å; Y125-I170 HydrophobicContact CE2-CG1 3.95Å; Y125-I170 HydrophobicContact CG-CD1 3.87Å; Y125-I170 HydrophobicContact CG-CG1 3.75Å
126F95.9Very high95.1Very high0 Ų061.5 Ų61.50%032%0.315CS..Hα-helixtrans-79.8-15.5-171.9-76.7-67.1000113.9V110 L122 R128 Y129 L132 I152 Y154 H168 I170 V177V110-F126 HydrophobicContact CG1-CE2 4.04Å; V110-F126 HydrophobicContact CG1-CZ 4.01Å; V110-F126 HydrophobicContact CG2-CE2 3.88Å; V110-F126 HydrophobicContact CG2-CZ 3.98Å; L122-F126 HydrophobicContact CB-CD2 4.44Å; L122-F126 HydrophobicContact CD2-CD2 4.43Å; L122-F126 HydrophobicContact CD2-CE2 4.06Å; L122-F126 WeakPolarHBondContact O-CB 3.35Å; L122-F126 WeakPolarHBondContact O-CD2 3.27Å; L122-F126 PolarHBondContact O-N 3.38Å; F126-R128 PolarHBondContact O-N 3.26Å; F126-R128 VanDerWaalsContact O-N 3.16Å; F126-Y129 HydrophobicContact CD1-CD2 4.23Å; F126-Y129 HydrophobicContact CD1-CE2 4.18Å; F126-Y129 PolarHBondContact O-N 2.88Å; F126-L132 HydrophobicContact CB-CD1 3.7Å; F126-L132 HydrophobicContact CB-CD2 4.3Å; F126-I152 HydrophobicContact CB-CD1 4.08Å; F126-I152 HydrophobicContact CD1-CD1 3.54Å; F126-I152 HydrophobicContact CD2-CD1 3.78Å; F126-I152 HydrophobicContact CD2-CG2 4.09Å; F126-I152 HydrophobicContact CE1-CD1 3.84Å; F126-I152 HydrophobicContact CE2-CD1 4.05Å; F126-I152 HydrophobicContact CG-CD1 3.52Å; F126-I152 HydrophobicContact CZ-CD1 4.09Å; F126-Y154 WeakPolarHBondContact CB-OH 3.25Å; F126-Y154 WeakPolarHBondContact O-CE1 3.31Å; F126-Y154 PolarHBondContact O-OH 3.44Å; F126-H168 AromaticContact CE1-CE1 3.86Å; F126-H168 AromaticContact CE1-CG 3.89Å; F126-H168 AromaticContact CE1-ND1 3.53Å; F126-H168 HydrophobicContact CZ-CB 4.5Å; F126-I170 HydrophobicContact CD2-CD1 4.35Å; F126-I170 HydrophobicContact CE2-CD1 3.54Å; F126-I170 HydrophobicContact CZ-CD1 3.9Å; F126-V177 HydrophobicContact CE1-CG2 3.91Å; F126-V177 HydrophobicContact CZ-CG2 3.7Å
127S95.4Very high95.3Very high49 Ų4954.6 Ų54.634%0.34329%0.285SS..THydrogen-bonded Turntrans-64.3-15.7174.9-62.70000112.9K123 Y125 Y129 G130K123-S127 WeakPolarHBondContact O-CB 3.47Å; K123-S127 PolarHBondContact O-N 2.88Å; K123-S127 PolarHBondContact O-OG 2.8Å; Y125-S127 PolarHBondContact O-N 2.77Å; S127-Y129 PolarHBondContact O-N 3.48Å; S127-G130 WeakPolarHBondContact CA-O 3.45Å; S127-G130 PolarHBondContact O-N 3.37Å
128R93.5Very high95.4Very high129 Ų12957.7 Ų57.749%0.48730%0.298SS..THydrogen-bonded Turntrans-60.7-25.2175.375.3-176.963.1-171.5-8.7114Y125 F126Y125-R128 VanDerWaalsContact CE2-NH2 3.28Å; Y125-R128 WeakPolarHBondContact O-CD 3Å; Y125-R128 VanDerWaalsContact O-CG 3.26Å; Y125-R128 WeakPolarHBondContact O-CG 3.32Å; Y125-R128 PolarHBondContact O-NE 3.45Å; F126-R128 PolarHBondContact O-N 3.26Å; F126-R128 VanDerWaalsContact O-N 3.16Å
129Y92.6Very high95.3Very high20 Ų2058.6 Ų58.68%0.07830%0.298CS..SBendtrans-91.3-22.9-179.5-57.7-74.4000112.1F126 S127 Y154 S159 M162 C163 E166 H168F126-Y129 HydrophobicContact CD1-CD2 4.23Å; F126-Y129 HydrophobicContact CD1-CE2 4.18Å; F126-Y129 PolarHBondContact O-N 2.88Å; S127-Y129 PolarHBondContact O-N 3.48Å; Y129-Y154 VanDerWaalsContact CD2-OH 3.31Å; Y129-Y154 WeakPolarHBondContact CD2-OH 3.41Å; Y129-S159 VanDerWaalsContact O-CB 3.22Å; Y129-S159 WeakPolarHBondContact O-CB 3.35Å; Y129-S159 PolarHBondContact O-OG 3.41Å; Y129-M162 HydrophobicContact CD1-CB 4.07Å; Y129-M162 WeakPolarHBondContact O-CE 3.46Å; Y129-C163 HydrophobicContact CD2-CB 4.13Å; Y129-C163 HydrophobicContact CG-CB 4.17Å; Y129-E166 HydrophobicContact CE1-CG 4.41Å; Y129-E166 VanDerWaalsContact CE1-OE2 3.24Å; Y129-E166 WeakPolarHBondContact CE1-OE2 3.35Å; Y129-E166 VanDerWaalsContact CZ-OE2 3.31Å; Y129-E166 PolarHBondContact OH-OE2 3.16Å; Y129-H168 AromaticContact CE2-CE1 3.7Å; Y129-H168 AromaticContact CZ-CE1 3.7Å; Y129-H168 PolarHBondContact OH-CE1 2.79Å
130G92.8Very high94.7Very high19 Ų1957.6 Ų57.620%0.19629%0.293CS..SBendtrans151.6-174178.300000112.7S127 L132 Y154 S159S127-G130 WeakPolarHBondContact CA-O 3.45Å; S127-G130 PolarHBondContact O-N 3.37Å; G130-L132 PolarHBondContact O-N 3.33Å; G130-Y154 WeakPolarHBondContact O-CE1 3.2Å; G130-S159 VanDerWaalsContact CA-OG 3.32Å; G130-S159 WeakPolarHBondContact CA-OG 3.25Å
131D94.6Very high94.2Very high118 Ų11859.3 Ų59.363%0.63130%0.302SS*.  trans-72.5129.1-170.7-72.7-33.9000112.4Y154 N155D131-Y154 CarbonylContact O-C 3.57Å; D131-Y154 WeakPolarHBondContact O-CA 3.4Å; D131-N155 HydrophobicContact CB-CB 4.19Å; D131-N155 PolarHBondContact O-N 2.93Å
132L95.9Very high93.9Very high26 Ų2664.8 Ų64.814%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-92.9120.7177.9-67.4166000110.8K123 F126 G130 V135 I152 R153 Y154K123-L132 HydrophobicContact CG-CD1 4.25Å; F126-L132 HydrophobicContact CB-CD1 3.7Å; F126-L132 HydrophobicContact CB-CD2 4.3Å; G130-L132 PolarHBondContact O-N 3.33Å; L132-V135 HydrophobicContact CB-CG2 3.9Å; L132-V135 HydrophobicContact CD1-CG2 3.66Å; L132-V135 HydrophobicContact CG-CG2 4.27Å; L132-I152 HydrophobicContact CD2-CB 4.07Å; L132-R153 CarbonylContact C-O 3.55Å; L132-R153 WeakPolarHBondContact CA-O 3.39Å; L132-Y154 HydrophobicContact CD2-CD1 3.69Å; L132-Y154 HydrophobicContact CD2-CD2 4.35Å; L132-Y154 HydrophobicContact CD2-CE1 3.48Å; L132-Y154 VanDerWaalsContact CD2-CE1 3.48Å; L132-Y154 HydrophobicContact CD2-CE2 4.17Å; L132-Y154 HydrophobicContact CD2-CG 4.13Å; L132-Y154 HydrophobicContact CG-CD1 4.33Å; L132-Y154 HydrophobicContact CG-CE1 4.05Å
133V94.8Very high93.6Very high73 Ų7367.9 Ų67.944%0.44235%0.352SS..EExtended strand (participates in β ladder)trans-75-39.7173.4-1780000110.7R153 N155V133-R153 PolarHBondContact N-O 2.89Å; V133-N155 VanDerWaalsContact CG2-CA 3.5Å; V133-N155 HydrophobicContact CG2-CB 3.84Å
134T93.7Very high93.3Very high50 Ų5067.5 Ų67.531%0.30736%0.355SS..EExtended strand (participates in β ladder)trans-141.5139.7179.562.30000111I152 R153T134-I152 CarbonylContact O-C 3.51Å; T134-I152 VanDerWaalsContact O-CA 3.29Å; T134-I152 WeakPolarHBondContact O-CA 3.48Å; T134-R153 PolarHBondContact N-O 2.88Å; T134-R153 PolarHBondContact O-N 2.85Å; T134-R153 VanDerWaalsContact OG1-CB 3.24Å; T134-R153 WeakPolarHBondContact OG1-CB 3.38Å
135V97.3Very high93Very high33 Ų3365.5 Ų65.520%0.235%0.349CS..EExtended strand (participates in β ladder)trans-135.4127.2169.3-177.50000107.3E119 L122 K123 L132 F151 I152E119-V135 HydrophobicContact CB-CG1 4.28Å; E119-V135 WeakPolarHBondContact O-CG1 3.24Å; L122-V135 HydrophobicContact CB-CG1 3.61Å; L122-V135 HydrophobicContact CD1-CG1 4.21Å; K123-V135 HydrophobicContact CB-CG2 4.06Å; K123-V135 HydrophobicContact CG-CG2 4.29Å; L132-V135 HydrophobicContact CB-CG2 3.9Å; L132-V135 HydrophobicContact CD1-CG2 3.66Å; L132-V135 HydrophobicContact CG-CG2 4.27Å; V135-F151 WeakPolarHBondContact CA-O 3.46Å; V135-I152 HydrophobicContact CG1-CG2 4.29Å; V135-I152 HydrophobicContact CG2-CG2 4.39Å
136Q96Very high92.8Very high95 Ų9565 Ų6544%0.44435%0.348SS..EExtended strand (participates in β ladder)trans-146.6123-179-174177.245.700111G150 F151Q136-G150 CarbonylContact O-C 3.57Å; Q136-G150 WeakPolarHBondContact O-CA 3.38Å; Q136-F151 PolarHBondContact N-O 3.5Å; Q136-F151 PolarHBondContact O-N 3Å
137V96.1Very high92.5Very high6 Ų668.9 Ų68.94%0.03637%0.366CS..EExtended strand (participates in β ladder)trans-89.5130.7168.8178.20000108.1E119 L122 R139 S146E119-V137 HydrophobicContact CG-CB 4.31Å; E119-V137 HydrophobicContact CG-CG2 4.07Å; E119-V137 WeakPolarHBondContact OE1-CB 3.26Å; E119-V137 PolarHBondContact OE1-N 2.92Å; L122-V137 HydrophobicContact CD1-CG2 3.56Å; L122-V137 HydrophobicContact CG-CG2 4.25Å; V137-R139 HydrophobicContact CG1-CG 4.45Å; V137-R139 PolarHBondContact O-N 2.82Å; V137-S146 WeakPolarHBondContact CG1-OG 3.04Å
138K94.7Very high92.1Very high64 Ų6467 Ų6728%0.27835%0.354SS..EExtended strand (participates in β ladder)trans-81.4125.1177.1-67.5-56.9-168.1-176.90109.3K147 Y149 F151K138-K147 HydrophobicContact CB-CD 4.34Å; K138-K147 WeakPolarHBondContact O-CB 3.43Å; K138-K147 PolarHBondContact O-N 2.75Å; K138-Y149 HydrophobicContact CB-CD1 4.49Å; K138-Y149 HydrophobicContact CB-CD2 4.18Å; K138-Y149 HydrophobicContact CB-CE1 4.05Å; K138-Y149 HydrophobicContact CB-CE2 3.71Å; K138-Y149 HydrophobicContact CG-CD2 4.03Å; K138-Y149 HydrophobicContact CG-CE2 3.44Å; K138-Y149 VanDerWaalsContact CG-CE2 3.44Å; K138-Y149 PolarHBondContact N-O 3.39Å; K138-F151 HydrophobicContact CD-CD2 4.4Å; K138-F151 HydrophobicContact CD-CE2 4.33Å; K138-F151 VanDerWaalsContact CE-CE2 3.49Å; K138-F151 HydrophobicContact CG-CD2 4.05Å; K138-F151 HydrophobicContact CG-CE2 3.85Å
139R93.5Very high92.1Very high74 Ų7463.1 Ų63.128%0.27934%0.34SS..EExtended strand (participates in β ladder)trans-116.9157.8-179.4-60.5175.1-172.2-87.8-0.1110.5E119 V137 N144 L145 K147E119-R139 IonicContact OE1-NE 2.69Å; E119-R139 IonicContact OE2-CZ 3.9Å; E119-R139 IonicContact OE2-NE 3.34Å; E119-R139 IonicContact OE2-NH2 2.74Å; E119-R139 PolarHBondContact OE2-NH2 3.39Å; V137-R139 HydrophobicContact CG1-CG 4.45Å; V137-R139 PolarHBondContact O-N 2.82Å; R139-N144 WeakPolarHBondContact CD-OD1 3.31Å; R139-L145 CarbonylContact C-O 3.55Å; R139-L145 WeakPolarHBondContact CA-O 3.32Å; R139-K147 VanDerWaalsContact O-CE 3.28Å; R139-K147 WeakPolarHBondContact O-CE 3.04Å
140H84.4Confident92.1Very high38 Ų3862.1 Ų62.118%0.17634%0.336CS..  trans-66.6132.6168.7-73.1-83.5000109.2D142 S143 N144 L145 H267H140-D142 VanDerWaalsContact C-N 3.26Å; H140-D142 PolarHBondContact O-N 3.07Å; H140-S143 VanDerWaalsContact CB-OG 3.31Å; H140-S143 WeakPolarHBondContact CB-OG 3.44Å; H140-N144 WeakPolarHBondContact O-CA 3.3Å; H140-N144 PolarHBondContact O-N 2.95Å; H140-L145 PolarHBondContact CD2-O 3.48Å; H140-L145 PolarHBondContact N-O 3.25Å; H140-H267 AromaticContact CE1-CD2 3.54Å; H140-H267 AromaticContact CE1-CG 3.76Å; H140-H267 AromaticContact CE1-NE2 3.96Å; H140-H267 AromaticContact NE2-CD2 3.73Å; H140-H267 AromaticContact NE2-NE2 3.76Å
141P86.1Confident92.3Very high109 Ų10963.4 Ų63.471%0.70834%0.336SS*.THydrogen-bonded Turntrans-63.7-34.1-179.225.3-33.2000112.2
142D89.7Confident92.4Very high158 Ų15857.8 Ų57.885%0.84531%0.306SS*.THydrogen-bonded Turntrans-83.2-45.3-174-47.5-53.3000112.8H140H140-D142 VanDerWaalsContact C-N 3.26Å; H140-D142 PolarHBondContact O-N 3.07Å
143S91.2Very high92.3Very high65 Ų6560.4 Ų60.446%0.45531%0.314SS..THydrogen-bonded Turntrans-99.4-10.2-175.164.10000114.3H140 L145H140-S143 VanDerWaalsContact CB-OG 3.31Å; H140-S143 WeakPolarHBondContact CB-OG 3.44Å; S143-L145 PolarHBondContact O-N 3.29Å; S143-L145 PolarHBondContact OG-N 3.34Å
144N89.8Confident92.3Very high112 Ų11257 Ų5760%0.59929%0.293SS*.  trans54.914.3-171.5-148.7-2000114.9R139 H140R139-N144 WeakPolarHBondContact CD-OD1 3.31Å; H140-N144 WeakPolarHBondContact O-CA 3.3Å; H140-N144 PolarHBondContact O-N 2.95Å
145L90.1Very high92.2Very high116 Ų11659.9 Ų59.961%0.60731%0.307SS*.  trans-74142.5175.5-65.2175.2000110.2R139 H140 S143 K147R139-L145 CarbonylContact C-O 3.55Å; R139-L145 WeakPolarHBondContact CA-O 3.32Å; H140-L145 PolarHBondContact CD2-O 3.48Å; H140-L145 PolarHBondContact N-O 3.25Å; S143-L145 PolarHBondContact O-N 3.29Å; S143-L145 PolarHBondContact OG-N 3.34Å; L145-K147 PolarHBondContact O-N 3.4Å
146S91.4Very high91.9Very high10 Ų1060.9 Ų60.97%0.0731%0.311CS..EExtended strand (participates in β ladder)trans-60.6136.3176.2-179.40000111W115 V137 G148W115-S146 WeakPolarHBondContact O-CB 3.16Å; V137-S146 WeakPolarHBondContact CG1-OG 3.04Å; S146-G148 PolarHBondContact O-N 2.81Å; S146-G148 PolarHBondContact OG-N 3.25Å; S146-G148 VanDerWaalsContact OG-N 3.11Å
147K88.3Confident91.5Very high83 Ų8358 Ų5836%0.36130%0.298SS..EExtended strand (participates in β ladder)trans-80.91.4171.1-64.2-177.5175.1175.90112.4K138 R139 L145 Y149K138-K147 HydrophobicContact CB-CD 4.34Å; K138-K147 WeakPolarHBondContact O-CB 3.43Å; K138-K147 PolarHBondContact O-N 2.75Å; R139-K147 VanDerWaalsContact O-CE 3.28Å; R139-K147 WeakPolarHBondContact O-CE 3.04Å; L145-K147 PolarHBondContact O-N 3.4Å; K147-Y149 VanDerWaalsContact C-N 3.32Å; K147-Y149 HydrophobicContact CB-CD1 3.67Å; K147-Y149 HydrophobicContact CB-CE1 3.45Å; K147-Y149 VanDerWaalsContact CB-CE1 3.45Å; K147-Y149 HydrophobicContact CD-CE1 3.84Å; K147-Y149 HydrophobicContact CG-CE1 4.28Å; K147-Y149 PolarHBondContact O-N 3.45Å
148G88.1Confident91.2Very high10 Ų1064.8 Ų64.810%0.10333%0.329CS..EExtended strand (participates in β ladder)trans74.718.8-17900000114.5N112 L113 S146N112-G148 PolarHBondContact N-O 3.45Å; L113-G148 PolarHBondContact N-O 3.03Å; S146-G148 PolarHBondContact O-N 2.81Å; S146-G148 PolarHBondContact OG-N 3.25Å; S146-G148 VanDerWaalsContact OG-N 3.11Å
149Y92.3Very high91Very high46 Ų4661.9 Ų61.918%0.1832%0.317CS..EExtended strand (participates in β ladder)trans-147.8159.217273.9-83.1000111.8I109 V110 K138 K147 F151I109-Y149 HydrophobicContact CD1-CD2 4.02Å; I109-Y149 HydrophobicContact CG1-CD2 4.29Å; V110-Y149 CarbonylContact O-C 3.48Å; V110-Y149 WeakPolarHBondContact O-CA 3.17Å; V110-Y149 VanDerWaalsContact O-CB 3.31Å; V110-Y149 WeakPolarHBondContact O-CB 3.27Å; K138-Y149 HydrophobicContact CB-CD1 4.49Å; K138-Y149 HydrophobicContact CB-CD2 4.18Å; K138-Y149 HydrophobicContact CB-CE1 4.05Å; K138-Y149 HydrophobicContact CB-CE2 3.71Å; K138-Y149 HydrophobicContact CG-CD2 4.03Å; K138-Y149 HydrophobicContact CG-CE2 3.44Å; K138-Y149 VanDerWaalsContact CG-CE2 3.44Å; K138-Y149 PolarHBondContact N-O 3.39Å; K147-Y149 VanDerWaalsContact C-N 3.32Å; K147-Y149 HydrophobicContact CB-CD1 3.67Å; K147-Y149 HydrophobicContact CB-CE1 3.45Å; K147-Y149 VanDerWaalsContact CB-CE1 3.45Å; K147-Y149 HydrophobicContact CD-CE1 3.84Å; K147-Y149 HydrophobicContact CG-CE1 4.28Å; K147-Y149 PolarHBondContact O-N 3.45Å; Y149-F151 HydrophobicContact CD2-CE2 4.09Å; Y149-F151 AromaticContact CE2-CE2 3.76Å; Y149-F151 HydrophobicContact CE2-CE2 3.76Å; Y149-F151 HydrophobicContact CE2-CZ 4.24Å
150G94.3Very high90.9Very high0 Ų058.5 Ų58.50%030%0.304CS..EExtended strand (participates in β ladder)trans-148.8-178.917900000112.4V110 Q136V110-G150 PolarHBondContact N-O 3.49Å; V110-G150 PolarHBondContact O-N 3.12Å; Q136-G150 CarbonylContact O-C 3.57Å; Q136-G150 WeakPolarHBondContact O-CA 3.38Å
151F95.4Very high90.8Very high46 Ų4659 Ų5920%0.20231%0.308CS..EExtended strand (participates in β ladder)trans-127.8141.2174.9-65-91.6000110.4D107 L108 I109 V135 Q136 K138 Y149 P180D107-F151 HydrophobicContact CB-CD1 4.31Å; L108-F151 WeakPolarHBondContact O-CA 3.41Å; I109-F151 HydrophobicContact CB-CD1 4.12Å; I109-F151 HydrophobicContact CB-CE1 3.82Å; I109-F151 HydrophobicContact CB-CZ 4.49Å; I109-F151 HydrophobicContact CD1-CE1 4.12Å; I109-F151 HydrophobicContact CD1-CZ 3.98Å; I109-F151 HydrophobicContact CG1-CD1 4.46Å; I109-F151 HydrophobicContact CG1-CE1 4Å; I109-F151 HydrophobicContact CG1-CZ 4.19Å; V135-F151 WeakPolarHBondContact CA-O 3.46Å; Q136-F151 PolarHBondContact N-O 3.5Å; Q136-F151 PolarHBondContact O-N 3Å; K138-F151 HydrophobicContact CD-CD2 4.4Å; K138-F151 HydrophobicContact CD-CE2 4.33Å; K138-F151 VanDerWaalsContact CE-CE2 3.49Å; K138-F151 HydrophobicContact CG-CD2 4.05Å; K138-F151 HydrophobicContact CG-CE2 3.85Å; Y149-F151 HydrophobicContact CD2-CE2 4.09Å; Y149-F151 AromaticContact CE2-CE2 3.76Å; Y149-F151 HydrophobicContact CE2-CE2 3.76Å; Y149-F151 HydrophobicContact CE2-CZ 4.24Å; F151-P180 HydrophobicContact CD1-CG 4.28Å; F151-P180 HydrophobicContact CE1-CB 4.41Å; F151-P180 HydrophobicContact CE1-CG 3.86Å
152I96.6Very high90.9Very high0 Ų057.8 Ų57.80%029%0.294CS..EExtended strand (participates in β ladder)trans-127.8148.4172.563.7176000109.4D107 L108 V110 F126 L132 T134 V135 Y154D107-I152 CarbonylContact C-O 3.57Å; D107-I152 WeakPolarHBondContact CA-O 3.44Å; L108-I152 HydrophobicContact CB-CG1 3.86Å; L108-I152 HydrophobicContact CD1-CD1 4.35Å; L108-I152 HydrophobicContact CD1-CG1 4.36Å; L108-I152 HydrophobicContact CG-CG1 4.47Å; L108-I152 PolarHBondContact N-O 2.92Å; L108-I152 PolarHBondContact O-N 2.65Å; V110-I152 HydrophobicContact CG2-CD1 4.02Å; V110-I152 HydrophobicContact CG2-CG1 4.01Å; V110-I152 HydrophobicContact CG2-CG2 4.19Å; F126-I152 HydrophobicContact CB-CD1 4.08Å; F126-I152 HydrophobicContact CD1-CD1 3.54Å; F126-I152 HydrophobicContact CD2-CD1 3.78Å; F126-I152 HydrophobicContact CD2-CG2 4.09Å; F126-I152 HydrophobicContact CE1-CD1 3.84Å; F126-I152 HydrophobicContact CE2-CD1 4.05Å; F126-I152 HydrophobicContact CG-CD1 3.52Å; F126-I152 HydrophobicContact CZ-CD1 4.09Å; L132-I152 HydrophobicContact CD2-CB 4.07Å; T134-I152 CarbonylContact O-C 3.51Å; T134-I152 VanDerWaalsContact O-CA 3.29Å; T134-I152 WeakPolarHBondContact O-CA 3.48Å; V135-I152 HydrophobicContact CG1-CG2 4.29Å; V135-I152 HydrophobicContact CG2-CG2 4.39Å; I152-Y154 HydrophobicContact CD1-CE2 4.08Å
153R94.2Very high90.9Very high81 Ų8150.3 Ų50.331%0.30625%0.254SS..EExtended strand (participates in β ladder)trans-136.8127.8170.4-178.1172.160.5-143.211.5109.3C105 D107 L132 V133 T134C105-R153 HydrophobicContact CB-CG 4.22Å; D107-R153 VanDerWaalsContact OD1-CD 3.27Å; D107-R153 WeakPolarHBondContact OD1-CD 3.48Å; D107-R153 IonicContact OD1-CZ 3.63Å; D107-R153 IonicContact OD1-NE 3.74Å; D107-R153 IonicContact OD1-NH1 2.82Å; D107-R153 PolarHBondContact OD1-NH1 3.21Å; L132-R153 CarbonylContact C-O 3.55Å; L132-R153 WeakPolarHBondContact CA-O 3.39Å; V133-R153 PolarHBondContact N-O 2.89Å; T134-R153 PolarHBondContact N-O 2.88Å; T134-R153 PolarHBondContact O-N 2.85Å; T134-R153 VanDerWaalsContact OG1-CB 3.24Å; T134-R153 WeakPolarHBondContact OG1-CB 3.38Å
154Y95.4Very high90.6Very high1 Ų150 Ų500%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-81.1157.2173-72.5-76.8000112.2C105 L108 F126 Y129 G130 D131 L132 I152 D156 S159 Q160 C163C105-Y154 WeakPolarHBondContact CB-O 3.4Å; L108-Y154 HydrophobicContact CD1-CD2 4.45Å; L108-Y154 HydrophobicContact CD1-CE2 4.31Å; F126-Y154 WeakPolarHBondContact CB-OH 3.25Å; F126-Y154 WeakPolarHBondContact O-CE1 3.31Å; F126-Y154 PolarHBondContact O-OH 3.44Å; Y129-Y154 VanDerWaalsContact CD2-OH 3.31Å; Y129-Y154 WeakPolarHBondContact CD2-OH 3.41Å; G130-Y154 WeakPolarHBondContact O-CE1 3.2Å; D131-Y154 CarbonylContact O-C 3.57Å; D131-Y154 WeakPolarHBondContact O-CA 3.4Å; L132-Y154 HydrophobicContact CD2-CD1 3.69Å; L132-Y154 HydrophobicContact CD2-CD2 4.35Å; L132-Y154 HydrophobicContact CD2-CE1 3.48Å; L132-Y154 VanDerWaalsContact CD2-CE1 3.48Å; L132-Y154 HydrophobicContact CD2-CE2 4.17Å; L132-Y154 HydrophobicContact CD2-CG 4.13Å; L132-Y154 HydrophobicContact CG-CD1 4.33Å; L132-Y154 HydrophobicContact CG-CE1 4.05Å; I152-Y154 HydrophobicContact CD1-CE2 4.08Å; Y154-D156 WeakPolarHBondContact CB-O 3.36Å; Y154-S159 VanDerWaalsContact CD1-CB 3.4Å; Y154-Q160 HydrophobicContact CD2-CB 4.13Å; Y154-C163 HydrophobicContact CE2-CB 3.57Å
155N92.1Very high90.2Very high110 Ų11049 Ų4959%0.58825%0.249SC*.SBendtrans-72.8-38173.3-169.242.9000111.4D131 V133D131-N155 HydrophobicContact CB-CB 4.19Å; D131-N155 PolarHBondContact O-N 2.93Å; V133-N155 VanDerWaalsContact CG2-CA 3.5Å; V133-N155 HydrophobicContact CG2-CB 3.84Å
156D90.1Very high89.7Confident54 Ų5447.2 Ų47.229%0.28924%0.237SC..SBendtrans-121.5156.8-177.165.4-79000112.4C105 Y154 E158 S159C105-D156 PolarHBondContact SG-O 2.79Å; Y154-D156 WeakPolarHBondContact CB-O 3.36Å; D156-E158 PolarHBondContact OD2-N 3.03Å; D156-S159 PolarHBondContact OD1-OG 2.83Å; D156-S159 VanDerWaalsContact OD1-OG 3.11Å; D156-S159 WeakPolarHBondContact OD2-CB 3.49Å; D156-S159 PolarHBondContact OD2-N 3.42Å; D156-S159 PolarHBondContact OD2-OG 2.97Å
157M87.6Confident89.1Confident35 Ų3551.2 Ų51.217%0.17225%0.251CS..Hα-helixtrans-76.2-29.9-173.9179.5161.2-75.200112.2L100 K103 C105 Q160 I161L100-M157 HydrophobicContact CB-CE 4.32Å; L100-M157 HydrophobicContact CB-SD 3.87Å; L100-M157 HydrophobicContact CD2-CE 3.8Å; L100-M157 HydrophobicContact CD2-CG 4.03Å; L100-M157 HydrophobicContact CD2-SD 3.62Å; L100-M157 HydrophobicContact CG-CE 3.55Å; L100-M157 HydrophobicContact CG-SD 3.62Å; L100-M157 VanDerWaalsContact O-CE 3.27Å; L100-M157 WeakPolarHBondContact O-CE 3.36Å; K103-M157 HydrophobicContact CB-CE 4.12Å; K103-M157 WeakPolarHBondContact O-CE 3.44Å; C105-M157 PolarHBondContact SG-N 2.97Å; C105-M157 VanDerWaalsContact SG-N 3.39Å; M157-Q160 WeakPolarHBondContact O-CB 3.45Å; M157-Q160 PolarHBondContact O-N 2.94Å; M157-I161 HydrophobicContact CG-CD1 3.78Å; M157-I161 HydrophobicContact CG-CG1 4.23Å; M157-I161 WeakPolarHBondContact O-CG1 3.3Å; M157-I161 PolarHBondContact O-N 3.32Å
158E89.1Confident89Confident148 Ų14847.5 Ų47.569%0.69224%0.235SC*.Hα-helixtrans-63.2-46.3-179.8-63.7-177.5174.900110.3D156 Q160 I161 M162D156-E158 PolarHBondContact OD2-N 3.03Å; E158-Q160 VanDerWaalsContact C-N 3.31Å; E158-Q160 PolarHBondContact O-N 3.49Å; E158-I161 PolarHBondContact O-N 2.72Å; E158-M162 WeakPolarHBondContact O-CG 3.11Å; E158-M162 PolarHBondContact O-N 3.44Å
159S92.1Very high89Confident4 Ų448.4 Ų48.43%0.02824%0.24CC..Hα-helixtrans-59.2-40.1172.6-62.30000113Y129 G130 Y154 D156 M162 C163Y129-S159 VanDerWaalsContact O-CB 3.22Å; Y129-S159 WeakPolarHBondContact O-CB 3.35Å; Y129-S159 PolarHBondContact O-OG 3.41Å; G130-S159 VanDerWaalsContact CA-OG 3.32Å; G130-S159 WeakPolarHBondContact CA-OG 3.25Å; Y154-S159 VanDerWaalsContact CD1-CB 3.4Å; D156-S159 PolarHBondContact OD1-OG 2.83Å; D156-S159 VanDerWaalsContact OD1-OG 3.11Å; D156-S159 WeakPolarHBondContact OD2-CB 3.49Å; D156-S159 PolarHBondContact OD2-N 3.42Å; D156-S159 PolarHBondContact OD2-OG 2.97Å; S159-M162 PolarHBondContact O-N 2.82Å; S159-C163 VanDerWaalsContact O-CB 3.27Å; S159-C163 WeakPolarHBondContact O-CB 3.3Å; S159-C163 PolarHBondContact O-N 3.32Å
160Q89.8Confident88.8Confident2 Ų246.5 Ų46.51%0.00923%0.232CC..Hα-helixtrans-63-43.3176.3-167.3-175.3-6800111.6T106 L108 Y154 M157 E158 L164T106-Q160 PolarHBondContact O-OE1 2.84Å; T106-Q160 VanDerWaalsContact O-OE1 3.12Å; T106-Q160 PolarHBondContact OG1-NE2 3.07Å; L108-Q160 HydrophobicContact CD1-CG 3.87Å; L108-Q160 HydrophobicContact CD2-CG 3.8Å; L108-Q160 HydrophobicContact CG-CG 4.04Å; Y154-Q160 HydrophobicContact CD2-CB 4.13Å; M157-Q160 WeakPolarHBondContact O-CB 3.45Å; M157-Q160 PolarHBondContact O-N 2.94Å; E158-Q160 VanDerWaalsContact C-N 3.31Å; E158-Q160 PolarHBondContact O-N 3.49Å; Q160-L164 HydrophobicContact CG-CD1 4.27Å; Q160-L164 WeakPolarHBondContact O-CB 3.34Å; Q160-L164 WeakPolarHBondContact O-CG 3.45Å; Q160-L164 PolarHBondContact O-N 2.98Å
161I83.1Confident88.6Confident48 Ų4849.4 Ų49.425%0.24625%0.248CC..Hα-helixtrans-66.3-46.3179.2-69.6167000110.5F97 L100 M157 E158 C163 L164 S165F97-I161 HydrophobicContact CE1-CD1 4.05Å; F97-I161 HydrophobicContact CE1-CG2 3.81Å; F97-I161 HydrophobicContact CZ-CG2 3.54Å; L100-I161 HydrophobicContact CD2-CD1 4.31Å; L100-I161 HydrophobicContact CD2-CG1 4.21Å; M157-I161 HydrophobicContact CG-CD1 3.78Å; M157-I161 HydrophobicContact CG-CG1 4.23Å; M157-I161 WeakPolarHBondContact O-CG1 3.3Å; M157-I161 PolarHBondContact O-N 3.32Å; E158-I161 PolarHBondContact O-N 2.72Å; I161-C163 PolarHBondContact O-N 2.77Å; I161-L164 PolarHBondContact O-N 3.02Å; I161-S165 WeakPolarHBondContact O-CB 3.37Å; I161-S165 PolarHBondContact O-N 3.07Å
162M88.5Confident88Confident85 Ų8550.9 Ų50.942%0.41928%0.276SS..Hα-helixtrans-59.3-47.2177-71.7-170.3-7000111.2Y129 E158 S159 L164 S165 E166Y129-M162 HydrophobicContact CD1-CB 4.07Å; Y129-M162 WeakPolarHBondContact O-CE 3.46Å; E158-M162 WeakPolarHBondContact O-CG 3.11Å; E158-M162 PolarHBondContact O-N 3.44Å; S159-M162 PolarHBondContact O-N 2.82Å; M162-L164 PolarHBondContact O-N 3.31Å; M162-S165 PolarHBondContact O-N 3.42Å; M162-S165 VanDerWaalsContact O-N 3.1Å; M162-S165 PolarHBondContact O-OG 3.1Å; M162-E166 PolarHBondContact O-N 2.64Å
163C89.6Confident87.2Confident0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-57.1-47.8175.5178.70000111.6L108 Y129 Y154 S159 I161 S165 E166 H168L108-C163 HydrophobicContact CD1-CB 4.5Å; Y129-C163 HydrophobicContact CD2-CB 4.13Å; Y129-C163 HydrophobicContact CG-CB 4.17Å; Y154-C163 HydrophobicContact CE2-CB 3.57Å; S159-C163 VanDerWaalsContact O-CB 3.27Å; S159-C163 WeakPolarHBondContact O-CB 3.3Å; S159-C163 PolarHBondContact O-N 3.32Å; I161-C163 PolarHBondContact O-N 2.77Å; C163-S165 PolarHBondContact O-N 3.23Å; C163-E166 PolarHBondContact O-N 2.75Å; C163-H168 PolarHBondContact O-CE1 3.33Å; C163-H168 VanDerWaalsContact O-CE1 3.25Å; C163-H168 PolarHBondContact O-NE2 3.03Å
164L85.4Confident86.4Confident59 Ų5952.4 Ų52.431%0.30929%0.285SS..Hα-helixtrans-67.3-19179.1-74.7170.5000114.2L108 Q160 I161 M162 V177 I179L108-L164 HydrophobicContact CD1-CD2 4.27Å; L108-L164 HydrophobicContact CD1-CG 4.12Å; L108-L164 HydrophobicContact CD2-CD1 3.98Å; L108-L164 HydrophobicContact CD2-CD2 4.09Å; L108-L164 HydrophobicContact CD2-CG 4.18Å; Q160-L164 HydrophobicContact CG-CD1 4.27Å; Q160-L164 WeakPolarHBondContact O-CB 3.34Å; Q160-L164 WeakPolarHBondContact O-CG 3.45Å; Q160-L164 PolarHBondContact O-N 2.98Å; I161-L164 PolarHBondContact O-N 3.02Å; M162-L164 PolarHBondContact O-N 3.31Å; L164-V177 HydrophobicContact CD2-CG1 4.19Å; L164-I179 HydrophobicContact CD1-CD1 4.31Å; L164-I179 HydrophobicContact CD1-CG1 4.12Å
165S80.4Confident85.9Confident91 Ų9153 Ų5364%0.63629%0.289SS*.Hα-helixtrans-84.3-16-178.974.40000114.1I161 M162 C163I161-S165 WeakPolarHBondContact O-CB 3.37Å; I161-S165 PolarHBondContact O-N 3.07Å; M162-S165 PolarHBondContact O-N 3.42Å; M162-S165 VanDerWaalsContact O-N 3.1Å; M162-S165 PolarHBondContact O-OG 3.1Å; C163-S165 PolarHBondContact O-N 3.23Å
166E79.2Confident85.4Confident79 Ų7949.6 Ų49.637%0.36927%0.271SS..SBendtrans-106.4158.4-177-70.8-173.2-165.100112.9Y129 M162 C163 H168Y129-E166 HydrophobicContact CE1-CG 4.41Å; Y129-E166 VanDerWaalsContact CE1-OE2 3.24Å; Y129-E166 WeakPolarHBondContact CE1-OE2 3.35Å; Y129-E166 VanDerWaalsContact CZ-OE2 3.31Å; Y129-E166 PolarHBondContact OH-OE2 3.16Å; M162-E166 PolarHBondContact O-N 2.64Å; C163-E166 PolarHBondContact O-N 2.75Å; E166-H168 PolarHBondContact O-CD2 2.88Å; E166-H168 VanDerWaalsContact O-CD2 3.26Å; E166-H168 PolarHBondContact O-NE2 3.3Å
167R79Confident85.4Confident94 Ų9447.7 Ų47.736%0.35526%0.261SS..  trans-84.3144.1165.5-69.5-175.5-178.6168.91.6109.5L220 E237R167-L220 VanDerWaalsContact NH2-CD2 3.32Å; R167-E237 IonicContact CZ-OE1 3.78Å; R167-E237 IonicContact CZ-OE2 3.08Å; R167-E237 IonicContact NH2-OE1 3.37Å; R167-E237 PolarHBondContact NH2-OE1 2.92Å; R167-E237 IonicContact NH2-OE2 2.92Å; R167-E237 PolarHBondContact NH2-OE2 2.99Å
168H86.1Confident85.3Confident4 Ų448.6 Ų48.62%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-117.3133.9-175.7-58.9-74.3000110.6Y125 F126 Y129 C163 E166 L174 C175 V177Y125-H168 HydrophobicContact CE1-CB 4.07Å; Y125-H168 AromaticContact CE1-ND1 3.59Å; Y125-H168 WeakPolarHBondContact OH-CA 3.25Å; F126-H168 AromaticContact CE1-CE1 3.86Å; F126-H168 AromaticContact CE1-CG 3.89Å; F126-H168 AromaticContact CE1-ND1 3.53Å; F126-H168 HydrophobicContact CZ-CB 4.5Å; Y129-H168 AromaticContact CE2-CE1 3.7Å; Y129-H168 AromaticContact CZ-CE1 3.7Å; Y129-H168 PolarHBondContact OH-CE1 2.79Å; C163-H168 PolarHBondContact O-CE1 3.33Å; C163-H168 VanDerWaalsContact O-CE1 3.25Å; C163-H168 PolarHBondContact O-NE2 3.03Å; E166-H168 PolarHBondContact O-CD2 2.88Å; E166-H168 VanDerWaalsContact O-CD2 3.26Å; E166-H168 PolarHBondContact O-NE2 3.3Å; H168-L174 CarbonylContact O-C 3.51Å; H168-L174 WeakPolarHBondContact O-CA 3.41Å; H168-C175 WeakPolarHBondContact CB-SG 3.42Å; H168-C175 PolarHBondContact O-N 2.59Å; H168-C175 PolarHBondContact O-SG 2.85Å; H168-V177 HydrophobicContact CB-CG2 4.32Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.33Å
169S87.9Confident85.1Confident30 Ų3043.5 Ų43.521%0.2124%0.24CC..EExtended strand (participates in β ladder)trans-127.3116.7173.9-173.50000109.2Y125 R173Y125-S169 WeakPolarHBondContact CE2-O 3.29Å; Y125-S169 PolarHBondContact OH-N 3.38Å; Y125-S169 PolarHBondContact OH-O 2.85Å; S169-R173 WeakPolarHBondContact CA-O 3.29Å
170I89.5Confident84.4Confident5 Ų543.7 Ų43.73%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-128.3130.8-177.8-56.7177.2000107.8L113 T117 T121 L122 Y125 F126 G172 R173L113-I170 HydrophobicContact CD2-CD1 4.22Å; T117-I170 HydrophobicContact CG2-CG2 3.83Å; T121-I170 HydrophobicContact CG2-CG2 3.88Å; L122-I170 HydrophobicContact CD2-CD1 3.74Å; Y125-I170 HydrophobicContact CD1-CD1 3.63Å; Y125-I170 HydrophobicContact CD1-CG1 3.77Å; Y125-I170 HydrophobicContact CD2-CD1 4.47Å; Y125-I170 HydrophobicContact CD2-CG1 3.84Å; Y125-I170 HydrophobicContact CE1-CD1 4.04Å; Y125-I170 HydrophobicContact CE1-CG1 3.87Å; Y125-I170 HydrophobicContact CE2-CG1 3.95Å; Y125-I170 HydrophobicContact CG-CD1 3.87Å; Y125-I170 HydrophobicContact CG-CG1 3.75Å; F126-I170 HydrophobicContact CD2-CD1 4.35Å; F126-I170 HydrophobicContact CE2-CD1 3.54Å; F126-I170 HydrophobicContact CZ-CD1 3.9Å; I170-G172 PolarHBondContact O-N 2.83Å; I170-R173 PolarHBondContact N-O 3.07Å; I170-R173 PolarHBondContact O-N 2.74Å
171D89.2Confident83.2Confident62 Ų6247.6 Ų47.633%0.33226%0.261SS..THydrogen-bonded Turntrans55.232.2-178.6-78.9-55.2000114.1A114 K116 T117 R173A114-D171 HydrophobicContact CB-CB 3.86Å; K116-D171 WeakPolarHBondContact CE-OD1 3.41Å; K116-D171 IonicContact NZ-OD1 2.81Å; K116-D171 PolarHBondContact NZ-OD1 3.06Å; T117-D171 WeakPolarHBondContact CB-OD2 3.37Å; T117-D171 PolarHBondContact OG1-OD2 3.35Å; D171-R173 PolarHBondContact O-N 2.84Å
172G83.7Confident82.2Confident76 Ų7650.8 Ų50.878%0.78429%0.288SS*.THydrogen-bonded Turntrans72.213.5-177.500000114.3I170I170-G172 PolarHBondContact O-N 2.83Å
173R78.7Confident80.7Confident64 Ų6451.3 Ų51.324%0.24229%0.288CS..EExtended strand (participates in β ladder)trans-115.1132.9172.8-65.6-177.872.596.21.2110.1N112 S169 I170 D171 C175N112-R173 PolarHBondContact O-NE 2.93Å; N112-R173 PolarHBondContact OD1-NH2 2.74Å; S169-R173 WeakPolarHBondContact CA-O 3.29Å; I170-R173 PolarHBondContact N-O 3.07Å; I170-R173 PolarHBondContact O-N 2.74Å; D171-R173 PolarHBondContact O-N 2.84Å; R173-C175 PolarHBondContact O-N 2.96Å
174L77.9Confident78.9Confident50 Ų5055.2 Ų55.226%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-67122.7168.4-69.8174.1000109.4N112 H168 L220 D221N112-L174 PolarHBondContact ND2-O 3.45Å; H168-L174 CarbonylContact O-C 3.51Å; H168-L174 WeakPolarHBondContact O-CA 3.41Å; L174-L220 HydrophobicContact CD1-CB 3.86Å; L174-L220 WeakPolarHBondContact CD1-O 3.42Å; L174-D221 HydrophobicContact CD1-CB 4.38Å
175C85.3Confident77.3Confident13 Ų1361.3 Ų61.39%0.08834%0.335CS..EExtended strand (participates in β ladder)trans-107.8150177.357.70000110.8V110 L111 L113 H168 R173V110-C175 HydrophobicContact CG1-CB 4.08Å; L111-C175 VanDerWaalsContact O-CA 3.27Å; L111-C175 WeakPolarHBondContact O-CA 3.37Å; L111-C175 WeakPolarHBondContact O-CB 3.42Å; L113-C175 HydrophobicContact CD2-CB 4.13Å; H168-C175 WeakPolarHBondContact CB-SG 3.42Å; H168-C175 PolarHBondContact O-N 2.59Å; H168-C175 PolarHBondContact O-SG 2.85Å; R173-C175 PolarHBondContact O-N 2.96Å
176D81.6Confident75.6Confident38 Ų3859.7 Ų59.720%0.20333%0.333CS..EExtended strand (participates in β ladder)trans-110.8114.6-175.6174.939000108.8L111 R178 R193L111-D176 HydrophobicContact CB-CB 4.26Å; L111-D176 PolarHBondContact N-O 3.04Å; L111-D176 PolarHBondContact O-N 2.95Å; D176-R178 IonicContact OD2-CZ 3.74Å; D176-R178 IonicContact OD2-NE 3.85Å; D176-R178 PolarHBondContact OD2-NE 2.63Å; D176-R178 IonicContact OD2-NH2 2.84Å; D176-R178 PolarHBondContact OD2-NH2 3.2Å; D176-R193 IonicContact OD1-NH1 3.96Å; D176-R193 PolarHBondContact OD1-NH1 3.14Å
177V88.9Confident73.6Confident15 Ų1563.4 Ų63.49%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-105.6125.1-178.2-175.20000108.9L108 I109 V110 F126 L164 H168L108-V177 HydrophobicContact CB-CG1 4.02Å; L108-V177 HydrophobicContact CD1-CG1 3.82Å; I109-V177 WeakPolarHBondContact O-CA 3.37Å; V110-V177 HydrophobicContact CG1-CG2 4.07Å; V110-V177 HydrophobicContact CG2-CG2 4.17Å; F126-V177 HydrophobicContact CE1-CG2 3.91Å; F126-V177 HydrophobicContact CZ-CG2 3.7Å; L164-V177 HydrophobicContact CD2-CG1 4.19Å; H168-V177 HydrophobicContact CB-CG2 4.32Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.33Å
178R85.4Confident72.1Confident54 Ų5469.5 Ų69.520%0.20438%0.378CS..EExtended strand (participates in β ladder)trans-151.7169.917962.3178.7118169.65.2112.5L108 I109 D176 E190L108-R178 WeakPolarHBondContact CA-O 3.44Å; I109-R178 HydrophobicContact CG2-CG 3.62Å; I109-R178 WeakPolarHBondContact CG2-O 3.47Å; I109-R178 PolarHBondContact N-O 3.25Å; I109-R178 PolarHBondContact O-N 3.26Å; D176-R178 IonicContact OD2-CZ 3.74Å; D176-R178 IonicContact OD2-NE 3.85Å; D176-R178 PolarHBondContact OD2-NE 2.63Å; D176-R178 IonicContact OD2-NH2 2.84Å; D176-R178 PolarHBondContact OD2-NH2 3.2Å; R178-E190 IonicContact NH1-OE2 3.75Å
179I85.2Confident70.3Confident41 Ų4177.5 Ų77.521%0.2142%0.416CS..  trans-74.9126.8169.6-59.6175.7000107.7L108 L164 I181 L184L108-I179 HydrophobicContact CD2-CG1 4Å; L164-I179 HydrophobicContact CD1-CD1 4.31Å; L164-I179 HydrophobicContact CD1-CG1 4.12Å; I179-I181 PolarHBondContact O-N 2.75Å; I179-L184 HydrophobicContact CB-CD1 4.02Å; I179-L184 HydrophobicContact CG2-CD1 3.73Å
180P78.3Confident68.8Low8 Ų880.2 Ų80.25%0.05243%0.425CS..  trans-59.2136.6178.9-17.326.1000111.4D107 I109 F151 S182 K183D107-P180 WeakPolarHBondContact O-CD 3.37Å; D107-P180 VanDerWaalsContact O-CG 3.31Å; D107-P180 WeakPolarHBondContact O-CG 3.44Å; I109-P180 HydrophobicContact CB-CG 4.01Å; I109-P180 HydrophobicContact CG2-CB 4.39Å; I109-P180 HydrophobicContact CG2-CG 4.15Å; F151-P180 HydrophobicContact CD1-CG 4.28Å; F151-P180 HydrophobicContact CE1-CB 4.41Å; F151-P180 HydrophobicContact CE1-CG 3.86Å; P180-S182 PolarHBondContact O-N 3.19Å; P180-S182 VanDerWaalsContact O-N 3.13Å; P180-K183 PolarHBondContact O-N 3.03Å
181I64.6Low67.5Low83 Ų8382.6 Ų82.643%0.42644%0.44SS..G310 helixtrans-56-34.3-178.4-57.9172.2000111.4I179 K183 L184I179-I181 PolarHBondContact O-N 2.75Å; I181-K183 PolarHBondContact O-N 2.81Å; I181-L184 PolarHBondContact O-N 2.83Å
182S62.2Low66.7Low116 Ų11681.3 Ų81.381%0.81144%0.435SS*.G310 helixtrans-61.1-13.8179.159.10000114.8P180P180-S182 PolarHBondContact O-N 3.19Å; P180-S182 VanDerWaalsContact O-N 3.13Å
183K55.9Low66.8Low96 Ų9681.7 Ų81.742%0.41741%0.413SS..G310 helixtrans-103.8-9.6176.3-64.7-169.9-178.7177.50113.8T106 D107 P180 I181T106-K183 HydrophobicContact CG2-CD 4.42Å; D107-K183 IonicContact OD1-NZ 2.74Å; D107-K183 IonicContact OD2-NZ 2.71Å; D107-K183 PolarHBondContact OD2-NZ 3.39Å; P180-K183 PolarHBondContact O-N 3.03Å; I181-K183 PolarHBondContact O-N 2.81Å
184L53.2Low67.3Low82 Ų8280.9 Ų80.943%0.42941%0.411SS..SBendtrans-90.9117.1169.9-82.2120.1000108.4I179 I181 G186I179-L184 HydrophobicContact CB-CD1 4.02Å; I179-L184 HydrophobicContact CG2-CD1 3.73Å; I181-L184 PolarHBondContact O-N 2.83Å; L184-G186 PolarHBondContact O-N 3.12Å
185E52Low67.9Low186 Ų18678.5 Ų78.587%0.86940%0.399SS*.SBendtrans-52.9122169.2-70172.5145.400109.7
186G43.8Very low68.2Low57 Ų5780.3 Ų80.359%0.58841%0.406SS*.SBendtrans96.7128.1170.300000113.9L184 R188L184-G186 PolarHBondContact O-N 3.12Å; G186-R188 PolarHBondContact O-N 3.42Å
187D37.7Very low68.9Low158 Ų15878.5 Ų78.585%0.84540%0.396SS*.  trans-59.751-178.2-158.421.7000114.7Q189D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 3.43Å; D187-Q189 VanDerWaalsContact O-N 3.11Å
188R46.5Very low69Low222 Ų22278 Ų7884%0.83839%0.394SS*.  trans-78.993.5165.7-83.2-175.9157.6142.2-5.3106.9G186 E190G186-R188 PolarHBondContact O-N 3.42Å; R188-E190 PolarHBondContact O-N 3.16Å
189Q49.3Very low69.3Low172 Ų17277.4 Ų77.480%0.80440%0.404SS*.  trans-59.287.2164.4-163151.710.900107.5D187 V191D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 3.43Å; D187-Q189 VanDerWaalsContact O-N 3.11Å; Q189-V191 PolarHBondContact O-N 3.38Å
190E55.5Low69.7Low87 Ų8775.6 Ų75.641%0.40740%0.395SS..PPolyproline II helixtrans-57.5125.7-175.7-151.5174-143.300107.6K96 R178 R188 S192K96-E190 IonicContact NZ-OE1 2.75Å; R178-E190 IonicContact NH1-OE2 3.75Å; R188-E190 PolarHBondContact O-N 3.16Å; E190-S192 PolarHBondContact O-N 2.74Å; E190-S192 VanDerWaalsContact O-N 3.08Å
191V61.8Low70.3Confident55 Ų5577.6 Ų77.633%0.33341%0.408SS..PPolyproline II helixtrans-53.8118.9-175.2179.40000108.5Q189 R193 P239 A243Q189-V191 PolarHBondContact O-N 3.38Å; V191-R193 PolarHBondContact O-N 3.12Å; V191-P239 HydrophobicContact CB-CB 3.95Å; V191-P239 HydrophobicContact CG1-CB 3.91Å; V191-P239 WeakPolarHBondContact CG1-O 3.37Å; V191-P239 VanDerWaalsContact O-CB 3.31Å; V191-P239 WeakPolarHBondContact O-CB 3.43Å; V191-A243 HydrophobicContact CG1-CB 3.45Å; V191-A243 VanDerWaalsContact CG1-CB 3.45Å
192S73Confident71.7Confident34 Ų3481.1 Ų81.124%0.23842%0.422CS..PPolyproline II helixtrans-69.3123.1-178.2172.10000109.1E190 K194 A242E190-S192 PolarHBondContact O-N 2.74Å; E190-S192 VanDerWaalsContact O-N 3.08Å; S192-K194 PolarHBondContact O-N 2.63Å; S192-K194 VanDerWaalsContact O-N 3.08Å; S192-K194 PolarHBondContact OG-N 2.86Å; S192-K194 PolarHBondContact OG-O 3.36Å; S192-A242 WeakPolarHBondContact O-CB 3.2Å
193R85.7Confident73.1Confident84 Ų8479.2 Ų79.232%0.31741%0.409SS..SBendtrans-59.4-15.4167.5-68-174.7-167.8112.51.5113.8D176 V191 S235 F236 E237 P239D176-R193 IonicContact OD1-NH1 3.96Å; D176-R193 PolarHBondContact OD1-NH1 3.14Å; V191-R193 PolarHBondContact O-N 3.12Å; R193-S235 CarbonylContact O-C 3.6Å; R193-S235 WeakPolarHBondContact O-CA 3.38Å; R193-F236 WeakPolarHBondContact CB-O 3.33Å; R193-F236 PolarHBondContact O-N 2.93Å; R193-E237 WeakPolarHBondContact CD-O 3.4Å; R193-E237 PolarHBondContact NE-O 2.84Å; R193-P239 HydrophobicContact CG-CB 3.85Å; R193-P239 HydrophobicContact CG-CG 4.44Å
194K89.3Confident74.8Confident47 Ų4774.8 Ų74.820%0.20439%0.39CS..EExtended strand (participates in β ladder)trans-104.3129.7-175.3-167169.2-173.3160.60110.7S192 F233 V234 A262S192-K194 PolarHBondContact O-N 2.63Å; S192-K194 VanDerWaalsContact O-N 3.08Å; S192-K194 PolarHBondContact OG-N 2.86Å; S192-K194 PolarHBondContact OG-O 3.36Å; K194-F233 HydrophobicContact CD-CB 4.28Å; K194-F233 HydrophobicContact CG-CB 4.15Å; K194-F233 HydrophobicContact CG-CD1 4.42Å; K194-V234 CarbonylContact C-O 3.5Å; K194-V234 WeakPolarHBondContact CA-O 3.37Å; K194-A262 HydrophobicContact CB-CB 3.87Å; K194-A262 HydrophobicContact CD-CB 4.28Å; K194-A262 HydrophobicContact CG-CB 3.67Å; K194-A262 WeakPolarHBondContact O-CB 3.49Å
195V91.2Very high76.8Confident0 Ų074.1 Ų74.10%039%0.389CS..EExtended strand (participates in β ladder)trans-109.5148.7172.1-590000110.8V197 F233 V234 F236 A242 L246 I259V195-V197 HydrophobicContact CG2-CG2 4.22Å; V195-F233 VanDerWaalsContact O-CA 3.25Å; V195-F233 WeakPolarHBondContact O-CA 3.45Å; V195-V234 HydrophobicContact CG2-CB 3.85Å; V195-V234 WeakPolarHBondContact CG2-O 3.4Å; V195-V234 PolarHBondContact N-O 3.46Å; V195-V234 PolarHBondContact O-N 3.08Å; V195-F236 HydrophobicContact CG1-CE2 4.37Å; V195-F236 HydrophobicContact CG2-CE2 3.89Å; V195-A242 HydrophobicContact CG1-CB 3.71Å; V195-A242 WeakPolarHBondContact CG1-O 3.41Å; V195-L246 HydrophobicContact CG1-CD2 4.15Å; V195-I259 HydrophobicContact CB-CG2 3.86Å; V195-I259 HydrophobicContact CG1-CG2 4.15Å; V195-I259 HydrophobicContact CG2-CG2 4.25Å
196H92.1Very high78.8Confident52 Ų5267.1 Ų67.124%0.24136%0.363CS..EExtended strand (participates in β ladder)trans-92.6127.5168.1166.9-85.5000108.8F231 F233 I259 G260H196-F231 AromaticContact CD2-CD2 3.8Å; H196-F231 VanDerWaalsContact NE2-CB 3.29Å; H196-F231 WeakPolarHBondContact NE2-CB 3.31Å; H196-F231 AromaticContact NE2-CD2 3.74Å; H196-F231 AromaticContact NE2-CG 3.57Å; H196-F233 HydrophobicContact CB-CD1 4.14Å; H196-F233 HydrophobicContact CB-CE1 4.05Å; H196-I259 WeakPolarHBondContact O-CA 3.39Å; H196-G260 PolarHBondContact N-O 3.27Å; H196-G260 PolarHBondContact O-N 3.36Å
197V94.3Very high81.2Confident0 Ų068.6 Ų68.60%036%0.361CS..EExtended strand (participates in β ladder)trans-109.8103177.8-172.50000107.9V195 I200 L209 F213 F231 A232 V234 V257 S258 I259V195-V197 HydrophobicContact CG2-CG2 4.22Å; V197-I200 HydrophobicContact CG1-CG2 3.83Å; V197-L209 HydrophobicContact CG1-CD2 4.23Å; V197-F213 HydrophobicContact CG1-CE2 4.19Å; V197-F213 HydrophobicContact CG1-CZ 4.11Å; V197-F213 HydrophobicContact CG2-CE2 3.77Å; V197-F213 HydrophobicContact CG2-CZ 3.73Å; V197-F231 CarbonylContact O-C 3.51Å; V197-F231 WeakPolarHBondContact O-CA 3.49Å; V197-F231 WeakPolarHBondContact O-CB 3.26Å; V197-A232 HydrophobicContact CB-CB 4.43Å; V197-A232 PolarHBondContact N-O 3.16Å; V197-A232 PolarHBondContact O-N 3.23Å; V197-V234 HydrophobicContact CG2-CB 4.4Å; V197-V234 HydrophobicContact CG2-CG2 3.76Å; V197-V257 HydrophobicContact CG1-CB 4.03Å; V197-V257 HydrophobicContact CG1-CG2 3.85Å; V197-S258 CarbonylContact C-O 3.56Å; V197-S258 WeakPolarHBondContact CA-O 3.49Å; V197-I259 HydrophobicContact CB-CD1 4.27Å; V197-I259 HydrophobicContact CG1-CD1 3.94Å; V197-I259 HydrophobicContact CG2-CD1 3.9Å
198G92.7Very high83.9Confident5 Ų562.4 Ų62.45%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-99.2155.1-178.500000112.9V257 S258G198-V257 CarbonylContact O-C 3.56Å; G198-V257 VanDerWaalsContact O-CA 3.27Å; G198-V257 WeakPolarHBondContact O-CA 3.49Å; G198-V257 WeakPolarHBondContact O-CB 3.39Å; G198-S258 PolarHBondContact N-O 3.07Å; G198-S258 PolarHBondContact O-N 3.35Å; G198-S258 PolarHBondContact O-OG 3.06Å
199G90.2Very high86.3Confident40 Ų4051.8 Ų51.841%0.41229%0.289SS..SBendtrans83.612.6177.400000114.4S230 V255G199-S230 PolarHBondContact N-O 2.87Å; G199-V255 WeakPolarHBondContact O-CG1 3.33Å
200I94Very high88.5Confident3 Ų347.7 Ų47.72%0.01527%0.266CS..  trans-69.5151.4173.463164.4000110.6V197 I204 L209 I224 F228 S230 A232 V257V197-I200 HydrophobicContact CG1-CG2 3.83Å; I200-I204 HydrophobicContact CB-CB 4.35Å; I200-I204 HydrophobicContact CB-CD1 4.22Å; I200-I204 HydrophobicContact CB-CG2 4.44Å; I200-I204 HydrophobicContact CG2-CD1 4.36Å; I200-I204 HydrophobicContact CG2-CG2 4.35Å; I200-L209 HydrophobicContact CG2-CD2 4.23Å; I200-I224 HydrophobicContact CD1-CD1 4.45Å; I200-I224 HydrophobicContact CD1-CG2 4.33Å; I200-F228 HydrophobicContact CD1-CE2 3.93Å; I200-F228 HydrophobicContact CD1-CZ 4.49Å; I200-F228 HydrophobicContact CG1-CE2 4.07Å; I200-F228 HydrophobicContact CG1-CZ 4.13Å; I200-F228 WeakPolarHBondContact O-CZ 3.13Å; I200-S230 PolarHBondContact N-O 2.84Å; I200-S230 WeakPolarHBondContact O-CA 3.37Å; I200-S230 VanDerWaalsContact O-CB 3.3Å; I200-S230 WeakPolarHBondContact O-CB 3.44Å; I200-A232 HydrophobicContact CD1-CB 3.74Å; I200-V257 HydrophobicContact CG2-CB 4.43Å; I200-V257 HydrophobicContact CG2-CG1 3.81Å
201T92.4Very high90.5Very high51 Ų5148.7 Ų48.731%0.31327%0.274SS..  trans-94.2165.7170.353.80000110.7S203 I204 F228 V255T201-S203 PolarHBondContact O-N 3.16Å; T201-S203 PolarHBondContact OG1-OG 2.87Å; T201-I204 PolarHBondContact O-N 3.32Å; T201-I204 VanDerWaalsContact O-N 3.14Å; T201-F228 WeakPolarHBondContact O-CZ 3.48Å; T201-V255 HydrophobicContact CG2-CG1 4.16Å; T201-V255 HydrophobicContact CG2-CG2 4.03Å
202E92.8Very high92.1Very high156 Ų15648.2 Ų48.273%0.72927%0.266SS*.THydrogen-bonded Turntrans-67.5-17.4178.7-167.3167.1-157.900112.8I204 F228E202-I204 VanDerWaalsContact C-N 3.34Å; E202-F228 HydrophobicContact CB-CD1 4.26Å; E202-F228 HydrophobicContact CB-CE1 4.14Å; E202-F228 HydrophobicContact CB-CE2 4.49Å; E202-F228 HydrophobicContact CB-CG 4.49Å; E202-F228 HydrophobicContact CB-CZ 4.25Å; E202-F228 HydrophobicContact CG-CG 4.43Å
203S91.2Very high93.1Very high77 Ų7746.6 Ų46.654%0.53826%0.255SS..THydrogen-bonded Turntrans-70.5-27.5172.559.70000113.3T201 T205T201-S203 PolarHBondContact O-N 3.16Å; T201-S203 PolarHBondContact OG1-OG 2.87Å; S203-T205 PolarHBondContact O-N 2.73Å
204I92.6Very high93.6Very high2 Ų244.6 Ų44.61%0.0125%0.254CS..  trans-79103.7-178.4-66.1173.2000109I200 T201 E202 V208 L209 I224 I252 V255 V257I200-I204 HydrophobicContact CB-CB 4.35Å; I200-I204 HydrophobicContact CB-CD1 4.22Å; I200-I204 HydrophobicContact CB-CG2 4.44Å; I200-I204 HydrophobicContact CG2-CD1 4.36Å; I200-I204 HydrophobicContact CG2-CG2 4.35Å; T201-I204 PolarHBondContact O-N 3.32Å; T201-I204 VanDerWaalsContact O-N 3.14Å; E202-I204 VanDerWaalsContact C-N 3.34Å; I204-V208 HydrophobicContact CG2-CB 4.45Å; I204-V208 HydrophobicContact CG2-CG1 4.18Å; I204-L209 HydrophobicContact CG2-CD1 4.28Å; I204-L209 HydrophobicContact CG2-CD2 3.67Å; I204-L209 HydrophobicContact CG2-CG 3.62Å; I204-I224 WeakPolarHBondContact O-CD1 3.41Å; I204-I252 HydrophobicContact CD1-CB 4.39Å; I204-I252 HydrophobicContact CD1-CG2 4.43Å; I204-V255 HydrophobicContact CD1-CB 3.92Å; I204-V255 HydrophobicContact CD1-CG1 4.24Å; I204-V255 HydrophobicContact CD1-CG2 4.06Å; I204-V257 HydrophobicContact CD1-CG1 4.49Å
205T94.1Very high93.8Very high68 Ų6848.2 Ų48.242%0.41727%0.272SS..  trans-83.8168.1-178.969.40000112.5S203 T207 V208 L209S203-T205 PolarHBondContact O-N 2.73Å; T205-T207 PolarHBondContact O-N 2.85Å; T205-V208 PolarHBondContact O-N 3.38Å; T205-V208 WeakPolarHBondContact OG1-CG2 3.27Å; T205-V208 PolarHBondContact OG1-N 2.82Å; T205-L209 PolarHBondContact O-N 3.5Å
206A93.8Very high93.9Very high39 Ų3951.5 Ų51.532%0.32229%0.286SS..Hα-helixtrans-60.5-30.917500000112.5R210 V222 I224A206-R210 WeakPolarHBondContact O-CB 3.17Å; A206-R210 PolarHBondContact O-N 3.4Å; A206-V222 HydrophobicContact CB-CB 4.25Å; A206-V222 HydrophobicContact CB-CG1 3.88Å; A206-I224 HydrophobicContact CB-CD1 4.28Å; A206-I224 HydrophobicContact CB-CG1 4.49Å
207T94.7Very high93.8Very high88 Ų8850.1 Ų50.154%0.5429%0.285SS..Hα-helixtrans-67.2-49174.8-50.40000110.8T205 L209 R210 D211T205-T207 PolarHBondContact O-N 2.85Å; T207-L209 VanDerWaalsContact C-N 3.32Å; T207-L209 PolarHBondContact O-N 3.11Å; T207-R210 WeakPolarHBondContact O-CB 3.28Å; T207-R210 PolarHBondContact O-N 3.21Å; T207-R210 VanDerWaalsContact O-N 3.07Å; T207-D211 VanDerWaalsContact O-CG 3.26Å; T207-D211 PolarHBondContact O-N 2.95Å
208V95.4Very high93.6Very high28 Ų2852.4 Ų52.417%0.1731%0.305CS..Hα-helixtrans-57.6-45.5177.9172.90000111.3I204 T205 D211 Y212 I252 E253I204-V208 HydrophobicContact CG2-CB 4.45Å; I204-V208 HydrophobicContact CG2-CG1 4.18Å; T205-V208 PolarHBondContact O-N 3.38Å; T205-V208 WeakPolarHBondContact OG1-CG2 3.27Å; T205-V208 PolarHBondContact OG1-N 2.82Å; V208-D211 PolarHBondContact O-N 3.18Å; V208-Y212 WeakPolarHBondContact O-CB 3.09Å; V208-Y212 PolarHBondContact O-N 3.45Å; V208-I252 HydrophobicContact CG1-CG2 3.75Å; V208-E253 HydrophobicContact CG1-CG 3.94Å
209L96.2Very high93.6Very high0 Ų053 Ų530%031%0.307CS..Hα-helixtrans-61.9-45.6175.4-70.5169.9000111.5V197 I200 I204 T205 T207 Y212 F213 V222 I224 A232 I252V197-L209 HydrophobicContact CG1-CD2 4.23Å; I200-L209 HydrophobicContact CG2-CD2 4.23Å; I204-L209 HydrophobicContact CG2-CD1 4.28Å; I204-L209 HydrophobicContact CG2-CD2 3.67Å; I204-L209 HydrophobicContact CG2-CG 3.62Å; T205-L209 PolarHBondContact O-N 3.5Å; T207-L209 VanDerWaalsContact C-N 3.32Å; T207-L209 PolarHBondContact O-N 3.11Å; L209-Y212 PolarHBondContact O-N 3.45Å; L209-F213 HydrophobicContact CB-CD2 4.41Å; L209-F213 HydrophobicContact CD2-CD2 4.44Å; L209-F213 HydrophobicContact CD2-CE2 3.87Å; L209-F213 WeakPolarHBondContact O-CB 3.31Å; L209-F213 WeakPolarHBondContact O-CD2 3.5Å; L209-F213 PolarHBondContact O-N 2.93Å; L209-V222 HydrophobicContact CB-CG1 3.75Å; L209-V222 HydrophobicContact CD1-CG1 3.71Å; L209-V222 HydrophobicContact CG-CG1 4.4Å; L209-I224 HydrophobicContact CD1-CD1 3.88Å; L209-I224 HydrophobicContact CD1-CG1 4.05Å; L209-A232 HydrophobicContact CD1-CB 3.45Å; L209-A232 VanDerWaalsContact CD1-CB 3.45Å; L209-I252 HydrophobicContact CD2-CD1 3.86Å
210R96.6Very high93.5Very high86 Ų8652.9 Ų52.933%0.32530%0.297SS..Hα-helixtrans-58.7-51.7178.9-178-179-60.6-81.30.1110.5A206 T207 Y212 F213 S214 V219 L220 V222A206-R210 WeakPolarHBondContact O-CB 3.17Å; A206-R210 PolarHBondContact O-N 3.4Å; T207-R210 WeakPolarHBondContact O-CB 3.28Å; T207-R210 PolarHBondContact O-N 3.21Å; T207-R210 VanDerWaalsContact O-N 3.07Å; R210-Y212 VanDerWaalsContact C-N 3.33Å; R210-Y212 PolarHBondContact O-N 3.43Å; R210-F213 PolarHBondContact O-N 3.5Å; R210-S214 WeakPolarHBondContact O-CB 3.19Å; R210-S214 PolarHBondContact O-N 2.93Å; R210-S214 PolarHBondContact O-OG 2.96Å; R210-V219 HydrophobicContact CG-CB 4.3Å; R210-V219 HydrophobicContact CG-CG1 4.26Å; R210-V219 PolarHBondContact NH1-O 2.88Å; R210-L220 PolarHBondContact NH1-O 3.15Å; R210-V222 HydrophobicContact CB-CG2 3.9Å
211D95.6Very high93.3Very high107 Ų10754 Ų5457%0.57230%0.303SS*.Hα-helixtrans-61.3-44.5-176.5-64.1-9000110.4T207 V208T207-D211 VanDerWaalsContact O-CG 3.26Å; T207-D211 PolarHBondContact O-N 2.95Å; V208-D211 PolarHBondContact O-N 3.18Å
212Y95.7Very high93.3Very high46 Ų4652.2 Ų52.218%0.1829%0.292CS..Hα-helixtrans-61.6-51.3176.3-175-94.1000112.6V208 L209 R210 S214 Q215 F216 Q250 V251 I252V208-Y212 WeakPolarHBondContact O-CB 3.09Å; V208-Y212 PolarHBondContact O-N 3.45Å; L209-Y212 PolarHBondContact O-N 3.45Å; R210-Y212 VanDerWaalsContact C-N 3.33Å; R210-Y212 PolarHBondContact O-N 3.43Å; Y212-S214 VanDerWaalsContact C-N 3.28Å; Y212-S214 PolarHBondContact O-N 2.61Å; Y212-Q215 VanDerWaalsContact O-CD 3.28Å; Y212-Q215 WeakPolarHBondContact O-CG 3.21Å; Y212-Q215 PolarHBondContact O-N 3.38Å; Y212-F216 HydrophobicContact CD1-CE2 4.27Å; Y212-F216 AromaticContact CE1-CE2 3.83Å; Y212-F216 HydrophobicContact CE1-CE2 3.83Å; Y212-F216 HydrophobicContact CE1-CZ 4.33Å; Y212-Q250 HydrophobicContact CE1-CB 3.91Å; Y212-Q250 HydrophobicContact CE1-CG 4.27Å; Y212-Q250 PolarHBondContact OH-OE1 2.81Å; Y212-Q250 VanDerWaalsContact OH-OE1 3.12Å; Y212-V251 WeakPolarHBondContact CE2-O 3.45Å; Y212-V251 PolarHBondContact OH-N 2.81Å; Y212-V251 PolarHBondContact OH-O 2.87Å; Y212-I252 HydrophobicContact CD1-CD1 3.53Å; Y212-I252 HydrophobicContact CD1-CG1 3.63Å; Y212-I252 HydrophobicContact CD2-CB 4.45Å; Y212-I252 HydrophobicContact CD2-CG1 3.96Å; Y212-I252 HydrophobicContact CD2-CG2 4.29Å; Y212-I252 HydrophobicContact CE1-CD1 3.87Å; Y212-I252 HydrophobicContact CE1-CG1 3.63Å; Y212-I252 HydrophobicContact CE2-CG1 3.96Å; Y212-I252 HydrophobicContact CG-CD1 3.92Å; Y212-I252 HydrophobicContact CG-CG1 3.78Å; Y212-I252 HydrophobicContact CG-CG2 4.24Å
213F95.2Very high93.3Very high0 Ų047.8 Ų47.80%027%0.27CS..Hα-helixtrans-74.7-19-175.2-76.7-70.3000113.5V197 L209 R210 Q215 F216 V219 V234 F236 L245 Q250 I252 I259V197-F213 HydrophobicContact CG1-CE2 4.19Å; V197-F213 HydrophobicContact CG1-CZ 4.11Å; V197-F213 HydrophobicContact CG2-CE2 3.77Å; V197-F213 HydrophobicContact CG2-CZ 3.73Å; L209-F213 HydrophobicContact CB-CD2 4.41Å; L209-F213 HydrophobicContact CD2-CD2 4.44Å; L209-F213 HydrophobicContact CD2-CE2 3.87Å; L209-F213 WeakPolarHBondContact O-CB 3.31Å; L209-F213 WeakPolarHBondContact O-CD2 3.5Å; L209-F213 PolarHBondContact O-N 2.93Å; R210-F213 PolarHBondContact O-N 3.5Å; F213-Q215 PolarHBondContact O-N 3.47Å; F213-Q215 VanDerWaalsContact O-N 3.12Å; F213-F216 AromaticContact CD1-CD2 3.83Å; F213-F216 HydrophobicContact CD1-CD2 3.83Å; F213-F216 AromaticContact CD1-CE2 3.94Å; F213-F216 HydrophobicContact CD1-CE2 3.94Å; F213-F216 HydrophobicContact CE1-CE2 4.34Å; F213-F216 PolarHBondContact O-N 3.17Å; F213-V219 HydrophobicContact CB-CG2 3.71Å; F213-V234 HydrophobicContact CB-CG1 3.98Å; F213-V234 HydrophobicContact CD2-CB 4.32Å; F213-V234 HydrophobicContact CD2-CG1 4.15Å; F213-V234 HydrophobicContact CD2-CG2 3.62Å; F213-V234 HydrophobicContact CE2-CG2 3.85Å; F213-V234 HydrophobicContact CG-CG1 4.07Å; F213-V234 HydrophobicContact CG-CG2 4.34Å; F213-F236 HydrophobicContact CB-CE1 4.02Å; F213-F236 HydrophobicContact CB-CZ 3.8Å; F213-F236 AromaticContact CD1-CZ 3.77Å; F213-F236 HydrophobicContact CD1-CZ 3.77Å; F213-F236 HydrophobicContact CG-CZ 4.06Å; F213-L245 HydrophobicContact CD1-CD1 4.04Å; F213-L245 HydrophobicContact CE1-CD1 4.25Å; F213-Q250 HydrophobicContact CE1-CG 4.47Å; F213-I252 HydrophobicContact CE2-CD1 3.81Å; F213-I252 HydrophobicContact CZ-CD1 4.06Å; F213-I259 HydrophobicContact CE1-CD1 3.86Å; F213-I259 HydrophobicContact CZ-CD1 3.55Å
214S94.7Very high93.3Very high42 Ų4246 Ų4629%0.29425%0.254SS..THydrogen-bonded Turntrans-61.1-20175.6-63.50000112.7R210 Y212 F216 G217R210-S214 WeakPolarHBondContact O-CB 3.19Å; R210-S214 PolarHBondContact O-N 2.93Å; R210-S214 PolarHBondContact O-OG 2.96Å; Y212-S214 VanDerWaalsContact C-N 3.28Å; Y212-S214 PolarHBondContact O-N 2.61Å; S214-F216 VanDerWaalsContact C-N 3.27Å; S214-F216 PolarHBondContact O-N 3.17Å; S214-G217 WeakPolarHBondContact CA-O 3.46Å; S214-G217 PolarHBondContact O-N 3.37Å
215Q94.2Very high93.1Very high123 Ų12346.7 Ų46.758%0.57526%0.259SS*.THydrogen-bonded Turntrans-68-23174.283.4-169.23.400113.9Y212 F213Y212-Q215 VanDerWaalsContact O-CD 3.28Å; Y212-Q215 WeakPolarHBondContact O-CG 3.21Å; Y212-Q215 PolarHBondContact O-N 3.38Å; F213-Q215 PolarHBondContact O-N 3.47Å; F213-Q215 VanDerWaalsContact O-N 3.12Å
216F92.7Very high92.8Very high69 Ų6953 Ų5330%0.30328%0.28SS..THydrogen-bonded Turntrans-93.4-24.4179.5-56.9-73.7000112.5Y212 F213 S214 F236 V241 L245Y212-F216 HydrophobicContact CD1-CE2 4.27Å; Y212-F216 AromaticContact CE1-CE2 3.83Å; Y212-F216 HydrophobicContact CE1-CE2 3.83Å; Y212-F216 HydrophobicContact CE1-CZ 4.33Å; F213-F216 AromaticContact CD1-CD2 3.83Å; F213-F216 HydrophobicContact CD1-CD2 3.83Å; F213-F216 AromaticContact CD1-CE2 3.94Å; F213-F216 HydrophobicContact CD1-CE2 3.94Å; F213-F216 HydrophobicContact CE1-CE2 4.34Å; F213-F216 PolarHBondContact O-N 3.17Å; S214-F216 VanDerWaalsContact C-N 3.27Å; S214-F216 PolarHBondContact O-N 3.17Å; F216-F236 HydrophobicContact CB-CE1 4.48Å; F216-V241 HydrophobicContact CB-CG1 3.78Å; F216-V241 WeakPolarHBondContact O-CG1 3.14Å; F216-L245 HydrophobicContact CB-CD1 4.24Å; F216-L245 HydrophobicContact CD1-CD2 3.8Å; F216-L245 HydrophobicContact CD2-CD1 4.03Å; F216-L245 HydrophobicContact CD2-CD2 3.94Å; F216-L245 HydrophobicContact CE1-CD2 3.79Å; F216-L245 HydrophobicContact CE2-CD2 3.92Å; F216-L245 HydrophobicContact CG-CD1 4.14Å; F216-L245 HydrophobicContact CG-CD2 3.87Å; F216-L245 HydrophobicContact CG-CG 4.44Å; F216-L245 HydrophobicContact CZ-CD2 3.83Å
217G90.9Very high92.5Very high22 Ų2255.5 Ų55.523%0.22729%0.294CS..SBendtrans165.5171-178.700000111.5S214 V219S214-G217 WeakPolarHBondContact CA-O 3.46Å; S214-G217 PolarHBondContact O-N 3.37Å; G217-V219 PolarHBondContact O-N 2.69Å
218A90.2Very high92.3Very high49 Ų4954.5 Ų54.541%0.40528%0.282SS..  trans-62.8120.1-176.900000111.9F236 E237A218-F236 WeakPolarHBondContact O-CA 3.12Å; A218-E237 HydrophobicContact CB-CB 3.97Å; A218-E237 WeakPolarHBondContact CB-OE2 3.28Å; A218-E237 PolarHBondContact O-N 2.82Å
219V92Very high92.1Very high18 Ų1860 Ų6011%0.10930%0.3CS..EExtended strand (participates in β ladder)trans-89.2116.8178.9178.10000110.4R210 F213 G217 V222 V234 F236R210-V219 HydrophobicContact CG-CB 4.3Å; R210-V219 HydrophobicContact CG-CG1 4.26Å; R210-V219 PolarHBondContact NH1-O 2.88Å; F213-V219 HydrophobicContact CB-CG2 3.71Å; G217-V219 PolarHBondContact O-N 2.69Å; V219-V222 HydrophobicContact CG1-CG2 3.7Å; V219-V234 HydrophobicContact CG1-CG1 3.77Å; V219-V234 HydrophobicContact CG2-CG1 4.15Å; V219-F236 HydrophobicContact CG2-CD1 4.15Å; V219-F236 HydrophobicContact CG2-CE1 3.82Å
220L87.8Confident91.9Very high36 Ų3663 Ų6319%0.18832%0.321CS..EExtended strand (participates in β ladder)trans-72.9-61.2175.1-57.5-177.1000111.2R167 L174 R210 S235 F236 E237R167-L220 VanDerWaalsContact NH2-CD2 3.32Å; L174-L220 HydrophobicContact CD1-CB 3.86Å; L174-L220 WeakPolarHBondContact CD1-O 3.42Å; R210-L220 PolarHBondContact NH1-O 3.15Å; L220-S235 WeakPolarHBondContact CA-O 3.48Å; L220-S235 WeakPolarHBondContact CB-O 3.46Å; L220-S235 PolarHBondContact N-O 3.33Å; L220-F236 VanDerWaalsContact CD1-O 3.24Å; L220-F236 WeakPolarHBondContact CD1-O 3.33Å; L220-E237 HydrophobicContact CD2-CB 4.11Å; L220-E237 HydrophobicContact CG-CB 4.45Å
221D89.9Confident91.8Very high28 Ų2860.2 Ų60.215%0.1531%0.311CS..EExtended strand (participates in β ladder)trans-138.6143.8-169.3-173.730.5000111N112 L174 V234 S235N112-D221 PolarHBondContact ND2-OD2 3.39Å; L174-D221 HydrophobicContact CD1-CB 4.38Å; D221-V234 WeakPolarHBondContact O-CA 3.45Å; D221-S235 PolarHBondContact N-O 3.34Å; D221-S235 PolarHBondContact O-N 2.9Å
222V93.4Very high91.8Very high13 Ų1355.1 Ų55.18%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-127.2119.4171.8-179.20000108.1A206 L209 R210 V219 F233 V234A206-V222 HydrophobicContact CB-CB 4.25Å; A206-V222 HydrophobicContact CB-CG1 3.88Å; L209-V222 HydrophobicContact CB-CG1 3.75Å; L209-V222 HydrophobicContact CD1-CG1 3.71Å; L209-V222 HydrophobicContact CG-CG1 4.4Å; R210-V222 HydrophobicContact CB-CG2 3.9Å; V219-V222 HydrophobicContact CG1-CG2 3.7Å; V222-F233 WeakPolarHBondContact CA-O 3.45Å; V222-V234 HydrophobicContact CG1-CG2 4.45Å; V222-V234 HydrophobicContact CG2-CG2 4.33Å
223F91.4Very high91.7Very high63 Ų6354.2 Ų54.228%0.27628%0.28SS..EExtended strand (participates in β ladder)trans-121.5117.2-177.8179.4-117.1000111.3P225 A232 F233F223-P225 HydrophobicContact CD1-CG 4.11Å; F223-P225 HydrophobicContact CE1-CB 4.15Å; F223-P225 HydrophobicContact CE1-CG 3.66Å; F223-P225 HydrophobicContact CZ-CB 4.29Å; F223-P225 HydrophobicContact CZ-CG 4.26Å; F223-A232 CarbonylContact O-C 3.45Å; F223-A232 VanDerWaalsContact O-CA 3.32Å; F223-A232 WeakPolarHBondContact O-CA 3.16Å; F223-F233 AromaticContact CD1-CD2 3.91Å; F223-F233 HydrophobicContact CD1-CD2 3.91Å; F223-F233 HydrophobicContact CD1-CE2 4.43Å; F223-F233 PolarHBondContact N-O 2.88Å; F223-F233 PolarHBondContact O-N 3.07Å
224I92.4Very high91.6Very high39 Ų3954.2 Ų54.220%0.228%0.28CS..  trans-106.9109.7171.1-51.4-175.7000107.9I200 I204 A206 L209 F228 A232I200-I224 HydrophobicContact CD1-CD1 4.45Å; I200-I224 HydrophobicContact CD1-CG2 4.33Å; I204-I224 WeakPolarHBondContact O-CD1 3.41Å; A206-I224 HydrophobicContact CB-CD1 4.28Å; A206-I224 HydrophobicContact CB-CG1 4.49Å; L209-I224 HydrophobicContact CD1-CD1 3.88Å; L209-I224 HydrophobicContact CD1-CG1 4.05Å; I224-F228 HydrophobicContact CG2-CD2 4.11Å; I224-F228 HydrophobicContact CG2-CE2 4.39Å; I224-A232 HydrophobicContact CG1-CB 3.91Å
225P88Confident91.4Very high17 Ų1752.8 Ų52.811%0.1127%0.271CS..  trans-61146.9179-2232.5000113F223 P227 F231 F233F223-P225 HydrophobicContact CD1-CG 4.11Å; F223-P225 HydrophobicContact CE1-CB 4.15Å; F223-P225 HydrophobicContact CE1-CG 3.66Å; F223-P225 HydrophobicContact CZ-CB 4.29Å; F223-P225 HydrophobicContact CZ-CG 4.26Å; P225-P227 CarbonylContact O-C 3.54Å; P225-F231 HydrophobicContact CB-CZ 4.41Å; P225-F231 WeakPolarHBondContact CD-O 3.39Å; P225-F231 HydrophobicContact CG-CD2 4.22Å; P225-F231 HydrophobicContact CG-CE2 3.51Å; P225-F231 HydrophobicContact CG-CZ 3.79Å; P225-F233 HydrophobicContact CG-CE2 4.4Å
226K87.5Confident91.2Very high199 Ų19947 Ų4787%0.86524%0.243SC*.SBendtrans-113139.4169.9-65.5-172.6178.7-176.60110.2
227P88.4Confident90.8Very high92 Ų9248.5 Ų48.560%0.59725%0.252SS*.SBendcis-60.8155.9-7.229.7-36.4000111P225 R229P225-P227 CarbonylContact O-C 3.54Å; P227-R229 WeakPolarHBondContact O-CG 3.29Å
228F90.7Very high90.4Very high68 Ų6850.4 Ų50.430%0.29826%0.257SS..  trans-58.2137.6-178179.6-101.1000110.9I200 T201 E202 I224I200-F228 HydrophobicContact CD1-CE2 3.93Å; I200-F228 HydrophobicContact CD1-CZ 4.49Å; I200-F228 HydrophobicContact CG1-CE2 4.07Å; I200-F228 HydrophobicContact CG1-CZ 4.13Å; I200-F228 WeakPolarHBondContact O-CZ 3.13Å; T201-F228 WeakPolarHBondContact O-CZ 3.48Å; E202-F228 HydrophobicContact CB-CD1 4.26Å; E202-F228 HydrophobicContact CB-CE1 4.14Å; E202-F228 HydrophobicContact CB-CE2 4.49Å; E202-F228 HydrophobicContact CB-CG 4.49Å; E202-F228 HydrophobicContact CB-CZ 4.25Å; E202-F228 HydrophobicContact CG-CG 4.43Å; I224-F228 HydrophobicContact CG2-CD2 4.11Å; I224-F228 HydrophobicContact CG2-CE2 4.39Å
229R90.3Very high90.1Very high144 Ų14449.7 Ų49.754%0.54325%0.248SC..  trans-13825.2-174.6-68.9174.1-166.3-155.63113P227 F231P227-R229 WeakPolarHBondContact O-CG 3.29Å; R229-F231 HydrophobicContact CB-CD1 3.72Å; R229-F231 HydrophobicContact CB-CE1 3.36Å; R229-F231 HydrophobicContact CB-CZ 4.35Å; R229-F231 HydrophobicContact CG-CE1 4.27Å; R229-F231 WeakPolarHBondContact O-CD1 3.49Å; R229-F231 PolarHBondContact O-N 2.84Å; R229-F231 VanDerWaalsContact O-N 3.13Å
230S93.1Very high89.8Confident62 Ų6254.4 Ų54.443%0.43427%0.269SS..SBendtrans53.728.9-178.762.10000115.8G199 I200G199-S230 PolarHBondContact N-O 2.87Å; I200-S230 PolarHBondContact N-O 2.84Å; I200-S230 WeakPolarHBondContact O-CA 3.37Å; I200-S230 VanDerWaalsContact O-CB 3.3Å; I200-S230 WeakPolarHBondContact O-CB 3.44Å
231F93.7Very high89.9Confident27 Ų2753.5 Ų53.512%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-143.9157168.571.1-90.1000112.2H196 V197 P225 R229 F233H196-F231 AromaticContact CD2-CD2 3.8Å; H196-F231 VanDerWaalsContact NE2-CB 3.29Å; H196-F231 WeakPolarHBondContact NE2-CB 3.31Å; H196-F231 AromaticContact NE2-CD2 3.74Å; H196-F231 AromaticContact NE2-CG 3.57Å; V197-F231 CarbonylContact O-C 3.51Å; V197-F231 WeakPolarHBondContact O-CA 3.49Å; V197-F231 WeakPolarHBondContact O-CB 3.26Å; P225-F231 HydrophobicContact CB-CZ 4.41Å; P225-F231 WeakPolarHBondContact CD-O 3.39Å; P225-F231 HydrophobicContact CG-CD2 4.22Å; P225-F231 HydrophobicContact CG-CE2 3.51Å; P225-F231 HydrophobicContact CG-CZ 3.79Å; R229-F231 HydrophobicContact CB-CD1 3.72Å; R229-F231 HydrophobicContact CB-CE1 3.36Å; R229-F231 HydrophobicContact CB-CZ 4.35Å; R229-F231 HydrophobicContact CG-CE1 4.27Å; R229-F231 WeakPolarHBondContact O-CD1 3.49Å; R229-F231 PolarHBondContact O-N 2.84Å; R229-F231 VanDerWaalsContact O-N 3.13Å; F231-F233 HydrophobicContact CD2-CD2 4.47Å; F231-F233 AromaticContact CD2-CE2 3.94Å; F231-F233 HydrophobicContact CD2-CE2 3.94Å; F231-F233 HydrophobicContact CD2-CZ 4.17Å; F231-F233 HydrophobicContact CE2-CD2 4.38Å; F231-F233 AromaticContact CE2-CE2 3.53Å; F231-F233 HydrophobicContact CE2-CE2 3.53Å; F231-F233 AromaticContact CE2-CZ 3.83Å; F231-F233 HydrophobicContact CE2-CZ 3.83Å
232A94.7Very high89.8Confident0 Ų052.2 Ų52.20%026%0.258CS..EExtended strand (participates in β ladder)trans-134.2174.6172.500000110.4V197 I200 L209 F223 I224V197-A232 HydrophobicContact CB-CB 4.43Å; V197-A232 PolarHBondContact N-O 3.16Å; V197-A232 PolarHBondContact O-N 3.23Å; I200-A232 HydrophobicContact CD1-CB 3.74Å; L209-A232 HydrophobicContact CD1-CB 3.45Å; L209-A232 VanDerWaalsContact CD1-CB 3.45Å; F223-A232 CarbonylContact O-C 3.45Å; F223-A232 VanDerWaalsContact O-CA 3.32Å; F223-A232 WeakPolarHBondContact O-CA 3.16Å; I224-A232 HydrophobicContact CG1-CB 3.91Å
233F93.7Very high89.4Confident27 Ų2753.2 Ų53.212%0.11827%0.267CS..EExtended strand (participates in β ladder)trans-126.8142.2166.3-58.7-88.9000110.5K194 V195 H196 V222 F223 P225 F231 A262K194-F233 HydrophobicContact CD-CB 4.28Å; K194-F233 HydrophobicContact CG-CB 4.15Å; K194-F233 HydrophobicContact CG-CD1 4.42Å; V195-F233 VanDerWaalsContact O-CA 3.25Å; V195-F233 WeakPolarHBondContact O-CA 3.45Å; H196-F233 HydrophobicContact CB-CD1 4.14Å; H196-F233 HydrophobicContact CB-CE1 4.05Å; V222-F233 WeakPolarHBondContact CA-O 3.45Å; F223-F233 AromaticContact CD1-CD2 3.91Å; F223-F233 HydrophobicContact CD1-CD2 3.91Å; F223-F233 HydrophobicContact CD1-CE2 4.43Å; F223-F233 PolarHBondContact N-O 2.88Å; F223-F233 PolarHBondContact O-N 3.07Å; P225-F233 HydrophobicContact CG-CE2 4.4Å; F231-F233 HydrophobicContact CD2-CD2 4.47Å; F231-F233 AromaticContact CD2-CE2 3.94Å; F231-F233 HydrophobicContact CD2-CE2 3.94Å; F231-F233 HydrophobicContact CD2-CZ 4.17Å; F231-F233 HydrophobicContact CE2-CD2 4.38Å; F231-F233 AromaticContact CE2-CE2 3.53Å; F231-F233 HydrophobicContact CE2-CE2 3.53Å; F231-F233 AromaticContact CE2-CZ 3.83Å; F231-F233 HydrophobicContact CE2-CZ 3.83Å; F233-A262 HydrophobicContact CD1-CB 3.82Å; F233-A262 HydrophobicContact CE1-CB 4.04Å
234V94Very high89.3Confident0 Ų056.4 Ų56.40%028%0.283CS..EExtended strand (participates in β ladder)trans-123.2129.3175.9179.80000107.3K194 V195 V197 F213 V219 D221 V222 F236K194-V234 CarbonylContact C-O 3.5Å; K194-V234 WeakPolarHBondContact CA-O 3.37Å; V195-V234 HydrophobicContact CG2-CB 3.85Å; V195-V234 WeakPolarHBondContact CG2-O 3.4Å; V195-V234 PolarHBondContact N-O 3.46Å; V195-V234 PolarHBondContact O-N 3.08Å; V197-V234 HydrophobicContact CG2-CB 4.4Å; V197-V234 HydrophobicContact CG2-CG2 3.76Å; F213-V234 HydrophobicContact CB-CG1 3.98Å; F213-V234 HydrophobicContact CD2-CB 4.32Å; F213-V234 HydrophobicContact CD2-CG1 4.15Å; F213-V234 HydrophobicContact CD2-CG2 3.62Å; F213-V234 HydrophobicContact CE2-CG2 3.85Å; F213-V234 HydrophobicContact CG-CG1 4.07Å; F213-V234 HydrophobicContact CG-CG2 4.34Å; V219-V234 HydrophobicContact CG1-CG1 3.77Å; V219-V234 HydrophobicContact CG2-CG1 4.15Å; D221-V234 WeakPolarHBondContact O-CA 3.45Å; V222-V234 HydrophobicContact CG1-CG2 4.45Å; V222-V234 HydrophobicContact CG2-CG2 4.33Å; V234-F236 HydrophobicContact CG1-CD2 4.45Å; V234-F236 HydrophobicContact CG1-CE1 4.43Å; V234-F236 HydrophobicContact CG1-CE2 3.93Å; V234-F236 HydrophobicContact CG1-CZ 3.93Å
235S89.7Confident89.2Confident13 Ų1354.7 Ų54.79%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-111.3122.4178.3-46.30000108.6R193 L220 D221R193-S235 CarbonylContact O-C 3.6Å; R193-S235 WeakPolarHBondContact O-CA 3.38Å; L220-S235 WeakPolarHBondContact CA-O 3.48Å; L220-S235 WeakPolarHBondContact CB-O 3.46Å; L220-S235 PolarHBondContact N-O 3.33Å; D221-S235 PolarHBondContact N-O 3.34Å; D221-S235 PolarHBondContact O-N 2.9Å
236F90.6Very high89Confident0 Ų057.4 Ų57.40%029%0.288CS..EExtended strand (participates in β ladder)trans-92.8158.5177.8-68.6-81.2000111.7R193 V195 F213 F216 A218 V219 L220 V234 D238 V241 A242 L245R193-F236 WeakPolarHBondContact CB-O 3.33Å; R193-F236 PolarHBondContact O-N 2.93Å; V195-F236 HydrophobicContact CG1-CE2 4.37Å; V195-F236 HydrophobicContact CG2-CE2 3.89Å; F213-F236 HydrophobicContact CB-CE1 4.02Å; F213-F236 HydrophobicContact CB-CZ 3.8Å; F213-F236 AromaticContact CD1-CZ 3.77Å; F213-F236 HydrophobicContact CD1-CZ 3.77Å; F213-F236 HydrophobicContact CG-CZ 4.06Å; F216-F236 HydrophobicContact CB-CE1 4.48Å; A218-F236 WeakPolarHBondContact O-CA 3.12Å; V219-F236 HydrophobicContact CG2-CD1 4.15Å; V219-F236 HydrophobicContact CG2-CE1 3.82Å; L220-F236 VanDerWaalsContact CD1-O 3.24Å; L220-F236 WeakPolarHBondContact CD1-O 3.33Å; V234-F236 HydrophobicContact CG1-CD2 4.45Å; V234-F236 HydrophobicContact CG1-CE1 4.43Å; V234-F236 HydrophobicContact CG1-CE2 3.93Å; V234-F236 HydrophobicContact CG1-CZ 3.93Å; F236-D238 WeakPolarHBondContact CB-O 3.26Å; F236-V241 HydrophobicContact CB-CB 4.44Å; F236-V241 HydrophobicContact CD1-CB 4.35Å; F236-V241 HydrophobicContact CD1-CG1 3.57Å; F236-V241 HydrophobicContact CD2-CG1 4.27Å; F236-V241 HydrophobicContact CE1-CG1 3.7Å; F236-V241 HydrophobicContact CE2-CG1 4.38Å; F236-V241 HydrophobicContact CG-CB 4.29Å; F236-V241 HydrophobicContact CG-CG1 3.86Å; F236-V241 HydrophobicContact CZ-CG1 4.1Å; F236-A242 HydrophobicContact CD2-CB 3.98Å; F236-L245 HydrophobicContact CE1-CD1 4.38Å; F236-L245 HydrophobicContact CE2-CD1 3.56Å; F236-L245 HydrophobicContact CZ-CD1 3.4Å
237E85.1Confident88.7Confident101 Ų10151.4 Ų51.447%0.47228%0.282SS..SBendtrans-64.2-49.2168.1170159-146.400111.1R167 R193 A218 L220R167-E237 IonicContact CZ-OE1 3.78Å; R167-E237 IonicContact CZ-OE2 3.08Å; R167-E237 IonicContact NH2-OE1 3.37Å; R167-E237 PolarHBondContact NH2-OE1 2.92Å; R167-E237 IonicContact NH2-OE2 2.92Å; R167-E237 PolarHBondContact NH2-OE2 2.99Å; R193-E237 WeakPolarHBondContact CD-O 3.4Å; R193-E237 PolarHBondContact NE-O 2.84Å; A218-E237 HydrophobicContact CB-CB 3.97Å; A218-E237 WeakPolarHBondContact CB-OE2 3.28Å; A218-E237 PolarHBondContact O-N 2.82Å; L220-E237 HydrophobicContact CD2-CB 4.11Å; L220-E237 HydrophobicContact CG-CB 4.45Å
238D82.5Confident88.5Confident63 Ų6351.2 Ų51.234%0.33727%0.272SS..SBendtrans-94.7122.6-177.7-174.6-6.7000110.6F236 E240 V241F236-D238 WeakPolarHBondContact CB-O 3.26Å; D238-E240 PolarHBondContact O-N 2.87Å; D238-E240 WeakPolarHBondContact OD1-CB 3.47Å; D238-E240 PolarHBondContact OD1-N 3.34Å; D238-V241 HydrophobicContact CB-CB 4.44Å; D238-V241 HydrophobicContact CB-CG2 3.86Å; D238-V241 PolarHBondContact O-N 2.63Å
239P83.9Confident88.3Confident34 Ų3453.4 Ų53.422%0.22129%0.287CS..Hα-helixtrans-62-29.1174.227.3-35.9000113.5V191 R193 V241 A242 A243V191-P239 HydrophobicContact CB-CB 3.95Å; V191-P239 HydrophobicContact CG1-CB 3.91Å; V191-P239 WeakPolarHBondContact CG1-O 3.37Å; V191-P239 VanDerWaalsContact O-CB 3.31Å; V191-P239 WeakPolarHBondContact O-CB 3.43Å; R193-P239 HydrophobicContact CG-CB 3.85Å; R193-P239 HydrophobicContact CG-CG 4.44Å; P239-V241 VanDerWaalsContact C-N 3.34Å; P239-V241 PolarHBondContact O-N 3.46Å; P239-A242 WeakPolarHBondContact O-CB 3.31Å; P239-A242 PolarHBondContact O-N 2.92Å; P239-A242 VanDerWaalsContact O-N 3.16Å; P239-A243 PolarHBondContact O-N 3.12Å
240E85.2Confident88.3Confident116 Ų11647.6 Ų47.654%0.54227%0.266SS..Hα-helixtrans-67.8-35.4-178.7-61.4-57.2151.900111.6D238 A242 A243 E244D238-E240 PolarHBondContact O-N 2.87Å; D238-E240 WeakPolarHBondContact OD1-CB 3.47Å; D238-E240 PolarHBondContact OD1-N 3.34Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.39Å; E240-A243 PolarHBondContact O-N 3Å; E240-E244 WeakPolarHBondContact O-CB 3.43Å; E240-E244 PolarHBondContact O-N 3.43Å
241V89.5Confident88.3Confident18 Ų1848.7 Ų48.711%0.10927%0.27CS..Hα-helixtrans-59.1-43.5171.6176.30000110.8F216 F236 D238 P239 E244 L245F216-V241 HydrophobicContact CB-CG1 3.78Å; F216-V241 WeakPolarHBondContact O-CG1 3.14Å; F236-V241 HydrophobicContact CB-CB 4.44Å; F236-V241 HydrophobicContact CD1-CB 4.35Å; F236-V241 HydrophobicContact CD1-CG1 3.57Å; F236-V241 HydrophobicContact CD2-CG1 4.27Å; F236-V241 HydrophobicContact CE1-CG1 3.7Å; F236-V241 HydrophobicContact CE2-CG1 4.38Å; F236-V241 HydrophobicContact CG-CB 4.29Å; F236-V241 HydrophobicContact CG-CG1 3.86Å; F236-V241 HydrophobicContact CZ-CG1 4.1Å; D238-V241 HydrophobicContact CB-CB 4.44Å; D238-V241 HydrophobicContact CB-CG2 3.86Å; D238-V241 PolarHBondContact O-N 2.63Å; P239-V241 VanDerWaalsContact C-N 3.34Å; P239-V241 PolarHBondContact O-N 3.46Å; V241-E244 PolarHBondContact O-N 2.88Å; V241-L245 HydrophobicContact CG1-CD1 4.32Å; V241-L245 WeakPolarHBondContact O-CG 3.19Å; V241-L245 PolarHBondContact O-N 2.9Å
242A88.2Confident88.2Confident0 Ų047.5 Ų47.50%027%0.265CS..Hα-helixtrans-64.8-43.8177.200000111.7S192 V195 F236 P239 E240 L245 L246S192-A242 WeakPolarHBondContact O-CB 3.2Å; V195-A242 HydrophobicContact CG1-CB 3.71Å; V195-A242 WeakPolarHBondContact CG1-O 3.41Å; F236-A242 HydrophobicContact CD2-CB 3.98Å; P239-A242 WeakPolarHBondContact O-CB 3.31Å; P239-A242 PolarHBondContact O-N 2.92Å; P239-A242 VanDerWaalsContact O-N 3.16Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.39Å; A242-L245 PolarHBondContact O-N 3.5Å; A242-L246 WeakPolarHBondContact O-CG 3.32Å; A242-L246 PolarHBondContact O-N 2.85Å
243A84.7Confident88Confident34 Ų3453.5 Ų53.528%0.28129%0.293SS..Hα-helixtrans-60.2-45175.100000112.5V191 P239 E240 L245 L246V191-A243 HydrophobicContact CG1-CB 3.45Å; V191-A243 VanDerWaalsContact CG1-CB 3.45Å; P239-A243 PolarHBondContact O-N 3.12Å; E240-A243 PolarHBondContact O-N 3Å; A243-L245 PolarHBondContact O-N 2.87Å; A243-L246 WeakPolarHBondContact O-CB 3.14Å; A243-L246 PolarHBondContact O-N 3.41Å; A243-L246 VanDerWaalsContact O-N 3.12Å
244E89.2Confident87.8Confident130 Ų13055.5 Ų55.561%0.60732%0.321SS*.Hα-helixtrans-62.2-30.8-178.3177.3172.5-178.500112.2E240 V241 K248E240-E244 WeakPolarHBondContact O-CB 3.43Å; E240-E244 PolarHBondContact O-N 3.43Å; V241-E244 PolarHBondContact O-N 2.88Å; E244-K248 VanDerWaalsContact O-CD 3.29Å; E244-K248 WeakPolarHBondContact O-CD 3.16Å; E244-K248 WeakPolarHBondContact O-CE 3.45Å; E244-K248 PolarHBondContact O-NZ 2.83Å; E244-K248 IonicContact OE1-NZ 2.65Å; E244-K248 PolarHBondContact OE1-NZ 3.11Å
245L90.3Very high87.6Confident4 Ų457.2 Ų57.22%0.02133%0.331CS..Hα-helixtrans-80.4-17.1178.7-69.1170.9000113.6F213 F216 F236 V241 A242 A243 G247 K248 I259F213-L245 HydrophobicContact CD1-CD1 4.04Å; F213-L245 HydrophobicContact CE1-CD1 4.25Å; F216-L245 HydrophobicContact CB-CD1 4.24Å; F216-L245 HydrophobicContact CD1-CD2 3.8Å; F216-L245 HydrophobicContact CD2-CD1 4.03Å; F216-L245 HydrophobicContact CD2-CD2 3.94Å; F216-L245 HydrophobicContact CE1-CD2 3.79Å; F216-L245 HydrophobicContact CE2-CD2 3.92Å; F216-L245 HydrophobicContact CG-CD1 4.14Å; F216-L245 HydrophobicContact CG-CD2 3.87Å; F216-L245 HydrophobicContact CG-CG 4.44Å; F216-L245 HydrophobicContact CZ-CD2 3.83Å; F236-L245 HydrophobicContact CE1-CD1 4.38Å; F236-L245 HydrophobicContact CE2-CD1 3.56Å; F236-L245 HydrophobicContact CZ-CD1 3.4Å; V241-L245 HydrophobicContact CG1-CD1 4.32Å; V241-L245 WeakPolarHBondContact O-CG 3.19Å; V241-L245 PolarHBondContact O-N 2.9Å; A242-L245 PolarHBondContact O-N 3.5Å; A243-L245 PolarHBondContact O-N 2.87Å; L245-G247 PolarHBondContact O-N 2.99Å; L245-K248 WeakPolarHBondContact O-CB 3.4Å; L245-K248 PolarHBondContact O-N 3.47Å; L245-I259 HydrophobicContact CB-CG2 4.02Å; L245-I259 WeakPolarHBondContact O-CB 3.38Å; L245-I259 WeakPolarHBondContact O-CG2 3.36Å
246L85.2Confident87.6Confident74 Ų7460.3 Ų60.339%0.38735%0.352SS..THydrogen-bonded Turntrans-61.8130.7-175.9-63.7-178.4000112V195 A242 A243 K248V195-L246 HydrophobicContact CG1-CD2 4.15Å; A242-L246 WeakPolarHBondContact O-CG 3.32Å; A242-L246 PolarHBondContact O-N 2.85Å; A243-L246 WeakPolarHBondContact O-CB 3.14Å; A243-L246 PolarHBondContact O-N 3.41Å; A243-L246 VanDerWaalsContact O-N 3.12Å; L246-K248 PolarHBondContact O-N 3.2Å
247G79.4Confident87.8Confident72 Ų7260.4 Ų60.474%0.74235%0.352SS*.THydrogen-bonded Turntrans76.61.4178.500000114.6L245 I259L245-G247 PolarHBondContact O-N 2.99Å; G247-I259 PolarHBondContact N-O 3.22Å
248K84.3Confident88Confident88 Ų8858.3 Ų58.338%0.38335%0.349SS..  trans-89.6138.6171.3-63.1179.5179.1162.60109.8E244 L245 L246 I259E244-K248 VanDerWaalsContact O-CD 3.29Å; E244-K248 WeakPolarHBondContact O-CD 3.16Å; E244-K248 WeakPolarHBondContact O-CE 3.45Å; E244-K248 PolarHBondContact O-NZ 2.83Å; E244-K248 IonicContact OE1-NZ 2.65Å; E244-K248 PolarHBondContact OE1-NZ 3.11Å; L245-K248 WeakPolarHBondContact O-CB 3.4Å; L245-K248 PolarHBondContact O-N 3.47Å; L246-K248 PolarHBondContact O-N 3.2Å; K248-I259 WeakPolarHBondContact O-CB 3.44Å; K248-I259 VanDerWaalsContact O-CG1 3.31Å; K248-I259 WeakPolarHBondContact O-CG1 3.3Å; K248-I259 PolarHBondContact O-N 3.35Å
249D87.6Confident88.4Confident114 Ų11455.6 Ų55.661%0.6133%0.334SS*.EExtended strand (participates in β ladder)trans-82.1142.5165.6-68.1-21.5000109.3V257D249-V257 WeakPolarHBondContact CA-O 3.38Å
250Q90.6Very high88.5Confident22 Ų2255.1 Ų55.110%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-121.8152177.2-58.8-59.1-37.500109.4Y212 F213 C256 V257 I259Y212-Q250 HydrophobicContact CE1-CB 3.91Å; Y212-Q250 HydrophobicContact CE1-CG 4.27Å; Y212-Q250 PolarHBondContact OH-OE1 2.81Å; Y212-Q250 VanDerWaalsContact OH-OE1 3.12Å; F213-Q250 HydrophobicContact CE1-CG 4.47Å; Q250-C256 CarbonylContact O-C 3.57Å; Q250-C256 WeakPolarHBondContact O-CA 3.27Å; Q250-V257 HydrophobicContact CB-CG2 3.68Å; Q250-V257 PolarHBondContact N-O 2.99Å; Q250-V257 PolarHBondContact O-N 2.82Å; Q250-I259 HydrophobicContact CG-CD1 4.04Å; Q250-I259 HydrophobicContact CG-CG1 3.7Å
251V92Very high88.4Confident86 Ų8653.1 Ų53.152%0.52133%0.334SS..EExtended strand (participates in β ladder)trans-115.8111.6175.5-177.70000108.4Y212 V255Y212-V251 WeakPolarHBondContact CE2-O 3.45Å; Y212-V251 PolarHBondContact OH-N 2.81Å; Y212-V251 PolarHBondContact OH-O 2.87Å; V251-V255 WeakPolarHBondContact CA-O 3.33Å
252I92.2Very high87.8Confident2 Ų252.6 Ų52.61%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-118117.7-177.5-51.5-175.8000107.6I204 V208 L209 Y212 F213 G254 V255 V257I204-I252 HydrophobicContact CD1-CB 4.39Å; I204-I252 HydrophobicContact CD1-CG2 4.43Å; V208-I252 HydrophobicContact CG1-CG2 3.75Å; L209-I252 HydrophobicContact CD2-CD1 3.86Å; Y212-I252 HydrophobicContact CD1-CD1 3.53Å; Y212-I252 HydrophobicContact CD1-CG1 3.63Å; Y212-I252 HydrophobicContact CD2-CB 4.45Å; Y212-I252 HydrophobicContact CD2-CG1 3.96Å; Y212-I252 HydrophobicContact CD2-CG2 4.29Å; Y212-I252 HydrophobicContact CE1-CD1 3.87Å; Y212-I252 HydrophobicContact CE1-CG1 3.63Å; Y212-I252 HydrophobicContact CE2-CG1 3.96Å; Y212-I252 HydrophobicContact CG-CD1 3.92Å; Y212-I252 HydrophobicContact CG-CG1 3.78Å; Y212-I252 HydrophobicContact CG-CG2 4.24Å; F213-I252 HydrophobicContact CE2-CD1 3.81Å; F213-I252 HydrophobicContact CZ-CD1 4.06Å; I252-G254 PolarHBondContact O-N 3.13Å; I252-G254 VanDerWaalsContact O-N 3.13Å; I252-V255 PolarHBondContact N-O 2.83Å; I252-V255 WeakPolarHBondContact O-CB 3.42Å; I252-V255 PolarHBondContact O-N 3.4Å; I252-V257 HydrophobicContact CD1-CG2 3.72Å; I252-V257 HydrophobicContact CG1-CG2 3.94Å
253E91Very high86.8Confident126 Ų12657.6 Ų57.659%0.58936%0.363SS*.THydrogen-bonded Turntrans51.334.9-176.1-60.4-172.8152.500113.7V208 V255V208-E253 HydrophobicContact CG1-CG 3.94Å; E253-V255 VanDerWaalsContact C-N 3.26Å; E253-V255 PolarHBondContact O-N 3.33Å
254G88.9Confident85.6Confident69 Ų6960.8 Ų60.871%0.71138%0.38SS*.THydrogen-bonded Turntrans80.2-2.7-177.800000115.1I252I252-G254 PolarHBondContact O-N 3.13Å; I252-G254 VanDerWaalsContact O-N 3.13Å
255V89.4Confident83.7Confident35 Ų3561.7 Ų61.721%0.21238%0.382CS..EExtended strand (participates in β ladder)trans-90.6127.6174.2-176.80000109.5G199 T201 I204 V251 I252 E253 V257G199-V255 WeakPolarHBondContact O-CG1 3.33Å; T201-V255 HydrophobicContact CG2-CG1 4.16Å; T201-V255 HydrophobicContact CG2-CG2 4.03Å; I204-V255 HydrophobicContact CD1-CB 3.92Å; I204-V255 HydrophobicContact CD1-CG1 4.24Å; I204-V255 HydrophobicContact CD1-CG2 4.06Å; V251-V255 WeakPolarHBondContact CA-O 3.33Å; I252-V255 PolarHBondContact N-O 2.83Å; I252-V255 WeakPolarHBondContact O-CB 3.42Å; I252-V255 PolarHBondContact O-N 3.4Å; E253-V255 VanDerWaalsContact C-N 3.26Å; E253-V255 PolarHBondContact O-N 3.33Å; V255-V257 HydrophobicContact CG1-CG1 4.15Å
256C90.6Very high81.5Confident79 Ų7968 Ų6853%0.53442%0.415SS..EExtended strand (participates in β ladder)trans-77.6121.2171.9-170.40000109.9Q250Q250-C256 CarbonylContact O-C 3.57Å; Q250-C256 WeakPolarHBondContact O-CA 3.27Å
257V93.3Very high79.4Confident1 Ų170.4 Ų70.41%0.00642%0.424CS..EExtended strand (participates in β ladder)trans-119.2143-179.5-51.90000109.8V197 G198 I200 I204 D249 Q250 I252 V255 I259V197-V257 HydrophobicContact CG1-CB 4.03Å; V197-V257 HydrophobicContact CG1-CG2 3.85Å; G198-V257 CarbonylContact O-C 3.56Å; G198-V257 VanDerWaalsContact O-CA 3.27Å; G198-V257 WeakPolarHBondContact O-CA 3.49Å; G198-V257 WeakPolarHBondContact O-CB 3.39Å; I200-V257 HydrophobicContact CG2-CB 4.43Å; I200-V257 HydrophobicContact CG2-CG1 3.81Å; I204-V257 HydrophobicContact CD1-CG1 4.49Å; D249-V257 WeakPolarHBondContact CA-O 3.38Å; Q250-V257 HydrophobicContact CB-CG2 3.68Å; Q250-V257 PolarHBondContact N-O 2.99Å; Q250-V257 PolarHBondContact O-N 2.82Å; I252-V257 HydrophobicContact CD1-CG2 3.72Å; I252-V257 HydrophobicContact CG1-CG2 3.94Å; V255-V257 HydrophobicContact CG1-CG1 4.15Å; V257-I259 HydrophobicContact CG2-CD1 4.42Å
258S89.2Confident77.4Confident57 Ų5772.8 Ų72.840%0.39943%0.427SS..EExtended strand (participates in β ladder)trans-98.5134.6-179.353.90000110.8V197 G198V197-S258 CarbonylContact C-O 3.56Å; V197-S258 WeakPolarHBondContact CA-O 3.49Å; G198-S258 PolarHBondContact N-O 3.07Å; G198-S258 PolarHBondContact O-N 3.35Å; G198-S258 PolarHBondContact O-OG 3.06Å
259I91.8Very high75.3Confident7 Ų776.9 Ų76.94%0.03645%0.447CS..EExtended strand (participates in β ladder)trans-103.8119177.1-48.9-59.9000110.6V195 H196 V197 F213 L245 G247 K248 Q250 V257V195-I259 HydrophobicContact CB-CG2 3.86Å; V195-I259 HydrophobicContact CG1-CG2 4.15Å; V195-I259 HydrophobicContact CG2-CG2 4.25Å; H196-I259 WeakPolarHBondContact O-CA 3.39Å; V197-I259 HydrophobicContact CB-CD1 4.27Å; V197-I259 HydrophobicContact CG1-CD1 3.94Å; V197-I259 HydrophobicContact CG2-CD1 3.9Å; F213-I259 HydrophobicContact CE1-CD1 3.86Å; F213-I259 HydrophobicContact CZ-CD1 3.55Å; L245-I259 HydrophobicContact CB-CG2 4.02Å; L245-I259 WeakPolarHBondContact O-CB 3.38Å; L245-I259 WeakPolarHBondContact O-CG2 3.36Å; G247-I259 PolarHBondContact N-O 3.22Å; K248-I259 WeakPolarHBondContact O-CB 3.44Å; K248-I259 VanDerWaalsContact O-CG1 3.31Å; K248-I259 WeakPolarHBondContact O-CG1 3.3Å; K248-I259 PolarHBondContact O-N 3.35Å; Q250-I259 HydrophobicContact CG-CD1 4.04Å; Q250-I259 HydrophobicContact CG-CG1 3.7Å; V257-I259 HydrophobicContact CG2-CD1 4.42Å
260G85.6Confident73.2Confident24 Ų2480 Ų8025%0.24746%0.458CS..EExtended strand (participates in β ladder)trans-124167.8-179.800000112.9H196 A262H196-G260 PolarHBondContact N-O 3.27Å; H196-G260 PolarHBondContact O-N 3.36Å; G260-A262 PolarHBondContact O-N 2.87Å
261S82.7Confident70.7Confident73 Ų7385.7 Ų85.751%0.5149%0.489SS..EExtended strand (participates in β ladder)trans-65128.7173.5-174.20000110.1V263S261-V263 VanDerWaalsContact C-N 3.34Å; S261-V263 PolarHBondContact O-N 2.79Å
262A77.9Confident68.3Low8 Ų892.3 Ų92.37%0.06651%0.505CS..  trans-76.390.8171.200000109.2K194 F233 G260 P264K194-A262 HydrophobicContact CB-CB 3.87Å; K194-A262 HydrophobicContact CD-CB 4.28Å; K194-A262 HydrophobicContact CG-CB 3.67Å; K194-A262 WeakPolarHBondContact O-CB 3.49Å; F233-A262 HydrophobicContact CD1-CB 3.82Å; F233-A262 HydrophobicContact CE1-CB 4.04Å; G260-A262 PolarHBondContact O-N 2.87Å; A262-P264 VanDerWaalsContact O-CD 3.31Å; A262-P264 WeakPolarHBondContact O-CD 3.48Å
263V67.9Low65.9Low105 Ų10599.4 Ų99.464%0.63654%0.543SS*.  trans-70.7120.9170.9-174.90000107.7S261 K265S261-V263 VanDerWaalsContact C-N 3.34Å; S261-V263 PolarHBondContact O-N 2.79Å; V263-K265 PolarHBondContact O-N 3.37Å
264P57.6Low63.5Low100 Ų10096.3 Ų96.365%0.64955%0.545SS*.  trans-55.1118.9168.6-19.731.2000107A262 L266A262-P264 VanDerWaalsContact O-CD 3.31Å; A262-P264 WeakPolarHBondContact O-CD 3.48Å; P264-L266 PolarHBondContact O-N 2.92Å
265K49.4Very low61.5Low149 Ų14997.8 Ų97.865%0.64854%0.542SS*.  trans-68.185.4174.3-70.1-174.7-179.1178.80108V263 H267V263-K265 PolarHBondContact O-N 3.37Å; K265-H267 PolarHBondContact O-N 3.13Å
266L44Very low59Low136 Ų136105 Ų10571%0.71258%0.575SS**  trans-60.7114.2145.6-69.4170.1000104P264P264-L266 PolarHBondContact O-N 2.92Å
267H41.1Very low56.9Low125 Ų125110.6 Ų110.658%0.57959%0.587SS**  trans-49.6133.9174-73.5-104.5000107.9H140 K265 Q269H140-H267 AromaticContact CE1-CD2 3.54Å; H140-H267 AromaticContact CE1-CG 3.76Å; H140-H267 AromaticContact CE1-NE2 3.96Å; H140-H267 AromaticContact NE2-CD2 3.73Å; H140-H267 AromaticContact NE2-NE2 3.76Å; K265-H267 PolarHBondContact O-N 3.13Å; H267-Q269 PolarHBondContact O-N 2.89Å
268P38.7Very low54.6Low123 Ų123116.2 Ų116.280%0.79962%0.623SS**  trans-51.5118.6176.218.6-29000107.3Q270P268-Q270 PolarHBondContact O-N 3.14Å
269Q40.3Very low52.1Low174 Ų174121 Ų12181%0.81364%0.644SS**  trans-52.9111.8171.9-131.8173.81600105.1H267 N271H267-Q269 PolarHBondContact O-N 2.89Å; Q269-N271 VanDerWaalsContact C-N 3.26Å; Q269-N271 PolarHBondContact O-N 3.25Å
270Q42.3Very low49.7Very low179 Ų179125.2 Ų125.284%0.83667%0.674SS**  trans-66101.5171-143.5167.546.500104.4P268 R272P268-Q270 PolarHBondContact O-N 3.14Å; Q270-R272 PolarHBondContact O-N 3.17Å
271N38Very low47.7Very low141 Ų141131.5 Ų131.575%0.75470%0.697SS**  trans-70.577.5-173.4-140-0.6000107.7Q269 N273Q269-N271 VanDerWaalsContact C-N 3.26Å; Q269-N271 PolarHBondContact O-N 3.25Å; N271-N273 PolarHBondContact O-N 2.8Å; N271-N273 VanDerWaalsContact O-N 3.12Å
272R43.1Very low45.9Very low225 Ų225137.6 Ų137.685%0.84972%0.715SS**  trans-80.277.2165.2-92.9-169.3171.6176.7-1.1106.9Q270Q270-R272 PolarHBondContact O-N 3.17Å
273N41.2Very low43.9Very low151 Ų151140.7 Ų140.781%0.80775%0.747SS**  trans-161.767.6159.9-93.4-17.9000108.5N271N271-N273 PolarHBondContact O-N 2.8Å; N271-N273 VanDerWaalsContact O-N 3.12Å
274G41Very low42.5Very low62 Ų62143.5 Ų143.564%0.63976%0.759SS**PPolyproline II helixtrans-89.3134.6153.600000108M276G274-M276 PolarHBondContact O-N 3.31Å
275P46.1Very low41.7Very low100 Ų100142.6 Ų142.665%0.64976%0.755SS**PPolyproline II helixtrans-67.1128.2-173.8-3.815.6000111.2Y277P275-Y277 HydrophobicContact CB-CD2 4.41Å; P275-Y277 HydrophobicContact CB-CE2 3.86Å; P275-Y277 HydrophobicContact CG-CE2 4.24Å; P275-Y277 PolarHBondContact O-N 3.38Å
276M37.1Very low41.4Very low185 Ų185143.8 Ų143.891%0.91176%0.762SS**PPolyproline II helixtrans-70.6120.4163.1-76.6-149.491.800109.4G274G274-M276 PolarHBondContact O-N 3.31Å
277Y45.7Very low41.6Very low198 Ų198145.2 Ų145.278%0.77677%0.771SS**  trans-106.7128159-65.1-83.3000108.4P275P275-Y277 HydrophobicContact CB-CD2 4.41Å; P275-Y277 HydrophobicContact CB-CE2 3.86Å; P275-Y277 HydrophobicContact CG-CE2 4.24Å; P275-Y277 PolarHBondContact O-N 3.38Å
278P45.8Very low41.5Very low118 Ų118143.7 Ų143.777%0.76677%0.772SS**  trans-82.5125-17830.5-30.2000111.9
279N37.3Very low41.5Very low157 Ų157147.7 Ų147.784%0.8477%0.772SS**  trans44.6106.3133.8-151.342.1000119.5
280S40.7Very low41.4Very low96 Ų96144.1 Ų144.167%0.67177%0.771SS**  trans-165.6108.1142.625.90000113.1
281H44.1Very low41.1Very low156 Ų156146.4 Ų146.472%0.72277%0.773SS**  trans83.1127.7137.3-61.383.2000121.3
282F43.7Very low41.1Very low201 Ų201148 Ų14888%0.88278%0.776SS**  trans79.2111.7158.6-65.9-76.6000119.8
283G37.3Very low40.7Very low73 Ų73148 Ų14875%0.75378%0.777SS**  10996.8123.200000117
284N37.4Very low40.5Very low164 Ų164148.1 Ų148.188%0.87778%0.778SS**  trans82.9125.3142.3-136.820.2000119.6
285S41.5Very low40.9Very low82 Ų82150.3 Ų150.357%0.57378%0.781SS**  trans-35.4136.9169.5-175.40000115.2
286H44Very low40.4Very low173 Ų173150.1 Ų150.180%0.80179%0.788SS**  165.5123.3120.3-83.888.2000108.3P288H286-P288 WeakPolarHBondContact O-CD 3.4Å
287N46.3Very low40.6Very low166 Ų166150.1 Ų150.189%0.88879%0.788SS**  trans-97.7123.6-177.4-162.622.3000109.6
288P39.7Very low40.1Very low94 Ų94148.6 Ų148.661%0.6179%0.793SS**  trans-143.864.7177.441.1-21.8000115.6H286H286-P288 WeakPolarHBondContact O-CD 3.4Å
289W37.8Very low39.8Very low207 Ų207148.2 Ų148.278%0.78479%0.788SS**  trans-147.659.2160.9-64.590.8000112.4W291W289-W291 HydrophobicContact CE3-CZ2 4.1Å; W289-W291 AromaticContact CE3-NE1 3.65Å; W289-W291 AromaticContact CZ3-CZ2 3.72Å; W289-W291 HydrophobicContact CZ3-CZ2 3.72Å
290A39.8Very low40Very low98 Ų98149.3 Ų149.381%0.8179%0.788SS**  trans-94.7107.6158.700000107.9Q292A290-Q292 PolarHBondContact O-N 3.17Å; A290-Q292 VanDerWaalsContact O-N 3.17Å
291W35.5Very low40Very low227 Ų227147.6 Ų147.686%0.8679%0.785SS**  trans-7899.5171.7-75.8101.3000109.1W289W289-W291 HydrophobicContact CE3-CZ2 4.1Å; W289-W291 AromaticContact CE3-NE1 3.65Å; W289-W291 AromaticContact CZ3-CZ2 3.72Å; W289-W291 HydrophobicContact CZ3-CZ2 3.72Å
292Q38.1Very low39.9Very low175 Ų175146.3 Ų146.382%0.81879%0.789SS**  trans-93135.2174.8-162.6169.1800109.5A290A290-Q292 PolarHBondContact O-N 3.17Å; A290-Q292 VanDerWaalsContact O-N 3.17Å
293Y33.7Very low39.8Very low224 Ų224147 Ų14788%0.87879%0.785SS**  trans-44.1134167.7-101.4-108.9000111.9P295Y293-P295 WeakPolarHBondContact O-CD 3.44Å
294N38.2Very low40Very low155 Ų155149.7 Ų149.783%0.82978%0.783SS**  trans-104.6110.5172.3-152.634.3000109.4
295P48.5Very low40.2Very low107 Ų107151.4 Ų151.470%0.69578%0.782SS**  trans-95.4125.5155.631.9-21.7000108.7Y293 M297Y293-P295 WeakPolarHBondContact O-CD 3.44Å; P295-M297 PolarHBondContact O-N 3.23Å
296A36.5Very low40.4Very low96 Ų96154.4 Ų154.479%0.79379%0.792SS**  trans-66.5113.8175.300000110.5
297M41.2Very low40.6Very low186 Ų186151.4 Ų151.492%0.91679%0.788SS**  trans-142.3121.9155-68.4-150.9-176.600109.4P295P295-M297 PolarHBondContact O-N 3.23Å
298N35.8Very low40.3Very low165 Ų165147.2 Ų147.288%0.88278%0.784SS**  trans-105114.7-177.1-162.7-0.9000107.2
299V39.3Very low40.3Very low110 Ų110151.4 Ų151.467%0.66780%0.797SS**  trans-149143.8170.9-170.80000109.1
300H40.1Very low40.4Very low180 Ų180152.7 Ų152.783%0.83380%0.804SS**  trans98.6120.4172.6-56.483000112.7
301G41Very low40.4Very low60 Ų60155.4 Ų155.462%0.61981%0.805SS**  cis125104.621.600000108.1
302T43.1Very low40.7Very low129 Ų129149 Ų14979%0.79180%0.795SS**  trans60.3112.3153.867.90000118.7
303R41.3Very low40.9Very low216 Ų216147.8 Ų147.882%0.81579%0.791SS**  170.7134.6102.5-102-178.1168114.9-3.3113.1
304D41.2Very low41.2Very low130 Ų130144.5 Ų144.570%0.69578%0.783SS**  trans79.6103.7142.1-52.6-29.9000122.4
305F42.2Very low41.3Very low199 Ų199140.9 Ų140.987%0.87378%0.783SS**  4195.9129.3-88.4-96.7000121.5
306N44Very low41Very low146 Ų146145.5 Ų145.578%0.78179%0.787SS**  27.4159.6112-14131.3000121.1
307P48.3Very low41.3Very low110 Ų110148 Ų14871%0.71479%0.788SS**  -134.6173.5-70.339.8-23.9000112.8
308G41.3Very low41.3Very low77 Ų77147.4 Ų147.479%0.79479%0.785SS**  trans-159.4113.8167.600000112.2
309M40.2Very low41.7Very low182 Ų182143.1 Ų143.190%0.89777%0.772SS**  trans-63.2152175.6-54.4-165.184.700111.8
310Y39.7Very low41.8Very low235 Ų235142.4 Ų142.492%0.92277%0.772SS**  -169.7141.7120.5-116.2-89.7000110.7
311N38.5Very low42Very low154 Ų154142.5 Ų142.582%0.82477%0.772SS**  trans-92.8-179.8-169.6-157.25000111.1
312S43.6Very low41.8Very low94 Ų94145.2 Ų145.266%0.65778%0.782SS**  trans87.4143.5165.2-122.60000116.3
313M41.4Very low42Very low149 Ų149144.7 Ų144.773%0.73478%0.781SS**  cis-172.7136.27.6-140.7166.1164.600109
314H40.1Very low42Very low155 Ų155143.1 Ų143.172%0.71879%0.788SS**  trans42.7134.4134.5-61.765.9000123
315G39.5Very low42Very low79 Ų79139.8 Ų139.881%0.81478%0.784SS**  trans-164.4112.7158.600000113.8
316Y42.4Very low42Very low203 Ų203137.7 Ų137.780%0.79678%0.782SS**  trans-86.9152.4-178.8-80.3-103.4000114.2
317N42.3Very low41.8Very low150 Ų150136.3 Ų136.380%0.80277%0.774SS**  trans174.6119.4134.5-111.6-30.7000109.8
318M42.8Very low41.5Very low173 Ų173139.5 Ų139.585%0.85278%0.777SS**  48.9134.274.4-73.3-99.5-154.100112.8
319A43.8Very low41.6Very low75 Ų75140.6 Ų140.662%0.6277%0.77SS**  cis-167.9166.22.100000110.1
320S41Very low41.4Very low95 Ų95136.9 Ų136.966%0.66476%0.762SS**  trans71.9121.3138.469.50000122.7
321H43.8Very low41.2Very low181 Ų181136.5 Ų136.584%0.83876%0.761SS**  164.5141114.3-86.580.2000111.7
322S37.5Very low41Very low117 Ų117137.7 Ų137.782%0.81876%0.762SS**  trans-99.8-162.1-163.5-42.20000113.1
323P46.7Very low40.7Very low118 Ų118143.2 Ų143.277%0.76677%0.768SS**  trans-111.8-175.8-130.131.2-7.2000114
324L42.4Very low40.5Very low184 Ų184143.4 Ų143.496%0.96377%0.767SS**  trans144141.1166.1-80159.9000106.4
325G41Very low40Very low60 Ų60146.4 Ų146.462%0.61977%0.774SS**  cis164.6158.36.500000107.2
326N40.7Very low40Very low155 Ų155148.8 Ų148.883%0.82977%0.768SS**  trans67124.9159.1-59.7-21.2000119.4
327N39.8Very low39.6Very low116 Ų116143.5 Ų143.562%0.6276%0.76SS**  155.4139.476.3-123.6-18.1000114.9
328F43.6Very low39.2Very low177 Ų177147.3 Ų147.378%0.77677%0.765SS**  trans79.2157.1139.6-76.7-45000122.8
329P42Very low39.1Very low100 Ų100143 Ų14365%0.64976%0.757SS**  -137177.6-91.838.7-15.4000115.8
330S36.3Very low39Very low104 Ų104146.4 Ų146.473%0.72777%0.765SS**  trans8.4127.4154.8570000121.6
331Y35.1Very low38.7Very low227 Ų227153.1 Ų153.189%0.8978%0.776SS**  trans-118.7112.3152.4-105.8-86.8000110.3
332Q35.4Very low38.8Very low180 Ų180151.8 Ų151.884%0.84177%0.773SS**  trans-114120.2168.7-169.2164.7200106.3
333R37.9Very low38.7Very low209 Ų209153.6 Ų153.679%0.78977%0.774SS**  trans-112.8112.3163.6-93.2-153.4-157.9-156.38.9109.3
334Q35.7Very low38.6Very low153 Ų153160.6 Ų160.672%0.71580%0.799SS**  trans-58.2141.7159.3-73.2164.4-4700110.6
335Y31.4Very low38.4Very low219 Ų219159.5 Ų159.586%0.85979%0.791SS**  trans-123.5116.4141-103.3-83.1000108.4
336N37.5Very low38.2Very low129 Ų129164.7 Ų164.769%0.6980%0.8SS**  trans-79.6137.8-177.3-116.7-17.6000110.4
337S35.3Very low38.1Very low91 Ų91165.2 Ų165.264%0.63680%0.799SS**  25.2115128.6-179.80000118.2
338Y34.4Very low38Very low230 Ų230168.1 Ų168.190%0.90281%0.809SS**  trans-131.794.8136.2-95.4-85.9000109.1
339A39.5Very low37.6Very low82 Ų82167.6 Ų167.668%0.67881%0.811SS**  trans-79.4130.615400000108.2
340N41.1Very low37.4Very low148 Ų148172.1 Ų172.179%0.79182%0.822SS**  trans-140.4104.5151.4-108.4-29.8000108.6
341R36.6Very low37.4Very low236 Ų236176.9 Ų176.989%0.89183%0.829SS**  trans-78.9131.8156.3-74.3-176.6-176.9-168.61.4107.8
342I44.2Very low37.6Very low153 Ų153173.1 Ų173.179%0.78582%0.824SS**  trans-153.4100.1144-59.5-171.5000104.9
343N36Very low37.8Very low155 Ų155172.5 Ų172.583%0.82982%0.822SS**  47.792.192.8-95.21.4000115.2
344M43.9Very low37.8Very low265 Ų265169.2 Ų169.2100%1.30583%0.826SS**  -171.70117.7-98.9-178.9-17800109.9

Retrieved 344 of 344 residues in 87.3 ms (Link to these results)

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