A0A3Q0KFL5_SCHMA Loading...

Putative zinc finger protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KFL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,245 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
1M30.6Very low35.6Very low235 Ų235140.5 Ų140.5100%1.15875%0.751SS**  0162.70-61.8173.3-176.700109.1
2S26.4Very low36.9Very low122 Ų122139.3 Ų139.385%0.85375%0.752SS**  trans-136.394.3176-63.40000110.3
3L31.6Very low37.7Very low127 Ų127134.4 Ų134.467%0.66573%0.732SS**PPolyproline II helixtrans-78.5146.3172.7-66.5170.2000110.2F5L3-F5 WeakPolarHBondContact O-CE2 3.39Å
4V31.7Very low39Very low147 Ų147134.1 Ų134.189%0.89172%0.723SS**PPolyproline II helixtrans-102.4125.9-175.8178.80000109.4
5F32.5Very low40.2Very low104 Ų104133.6 Ų133.646%0.45672%0.72SS.*PPolyproline II helixtrans-100116.4-171.8-64-83.6000112.8L3 L41 I43L3-F5 WeakPolarHBondContact O-CE2 3.39Å; F5-L41 WeakPolarHBondContact CZ-O 3.26Å; F5-I43 HydrophobicContact CD1-CD1 3.94Å; F5-I43 HydrophobicContact CD1-CG1 4.01Å; F5-I43 HydrophobicContact CE1-CG1 4.1Å
6S35.8Very low41.3Very low93 Ų93129.1 Ų129.165%0.6570%0.702SS**PPolyproline II helixtrans-71.1157.2154.9-170.90000110.2
7K35.2Very low42.5Very low183 Ų183122.7 Ų122.780%0.79667%0.667SS**  trans-119.792.4177.2-75.3-163.4172.6-163.80111.4
8Q41.9Very low43.7Very low135 Ų135122.3 Ų122.363%0.63166%0.66SS**  trans-112148.6158.8-73.1176.1-22.300108.9Y10Q8-Y10 HydrophobicContact CB-CE2 4.01Å; Q8-Y10 PolarHBondContact OE1-OH 3.48Å
9N37.7Very low45.3Very low172 Ų172119.8 Ų119.892%0.9264%0.643SS**  trans-85.9112.6178.2-66.3-23.6000108.2
10Y42.1Very low46.5Very low116 Ų116117.9 Ų117.946%0.45563%0.633SS.*PPolyproline II helixtrans-94.6149.5171.1-65.4-84.9000110.2Q8 F55Q8-Y10 HydrophobicContact CB-CE2 4.01Å; Q8-Y10 PolarHBondContact OE1-OH 3.48Å; Y10-F55 HydrophobicContact CE1-CB 4.18Å; Y10-F55 AromaticContact CE1-CD2 3.99Å; Y10-F55 HydrophobicContact CE1-CD2 3.99Å; Y10-F55 HydrophobicContact CE1-CG 4.44Å; Y10-F55 HydrophobicContact CE2-CB 4.38Å; Y10-F55 AromaticContact CZ-CD2 3.98Å
11S46.4Very low47.7Very low112 Ų112114 Ų11478%0.78361%0.613SS**PPolyproline II helixtrans-68166.5178.4-161.40000111.6
12T51.8Low49.6Very low125 Ų125107.7 Ų107.777%0.76758%0.579SS**PPolyproline II helixtrans-54137175.547.70000111.8
13P46.8Very low51.9Low76 Ų76106.8 Ų106.849%0.49456%0.561SS.*PPolyproline II helixtrans-60.5143.8-179.524.5-33.6000111.7D17 Q18P13-D17 HydrophobicContact CB-CB 3.8Å; P13-Q18 HydrophobicContact CB-CG 4.47Å; P13-Q18 HydrophobicContact CG-CG 4.28Å
14H56.2Low53.9Low130 Ų130103.3 Ų103.360%0.60254%0.543SS*.PPolyproline II helixtrans-69.4161.2171.9-170.1-114.4000110S16 D17 Q18H14-S16 PolarHBondContact ND1-OG 3.38Å; H14-S16 PolarHBondContact O-N 2.81Å; H14-S16 VanDerWaalsContact O-N 3.15Å; H14-D17 VanDerWaalsContact CB-OD2 3.26Å; H14-D17 WeakPolarHBondContact CB-OD2 3.32Å; H14-D17 PolarHBondContact N-OD2 3.1Å; H14-D17 WeakPolarHBondContact O-CB 3.31Å; H14-D17 PolarHBondContact O-N 2.8Å; H14-Q18 PolarHBondContact O-N 3.03Å
15N56.2Low55.7Low127 Ų12797.3 Ų97.368%0.67951%0.507SS*.Hα-helixtrans-59.6-31.9-177.4-154.810.7000112.1Q18 E19N15-Q18 PolarHBondContact O-N 3.15Å; N15-E19 PolarHBondContact O-N 3.45Å
16S58Low57.6Low61 Ų6195.5 Ų95.543%0.42750%0.502SS..Hα-helixtrans-67.2-33.4171.556.90000114.3H14 Q18 L20H14-S16 PolarHBondContact ND1-OG 3.38Å; H14-S16 PolarHBondContact O-N 2.81Å; H14-S16 VanDerWaalsContact O-N 3.15Å; S16-Q18 VanDerWaalsContact C-N 3.33Å; S16-L20 WeakPolarHBondContact O-CG 3.27Å; S16-L20 PolarHBondContact O-N 3.18Å
17D61.3Low59.5Low21 Ų2195.6 Ų95.611%0.11250%0.495CS..Hα-helixtrans-71.8-30.6178.3-60.4-53.7000110.8P13 H14 L20 V21 Y46 I56P13-D17 HydrophobicContact CB-CB 3.8Å; H14-D17 VanDerWaalsContact CB-OD2 3.26Å; H14-D17 WeakPolarHBondContact CB-OD2 3.32Å; H14-D17 PolarHBondContact N-OD2 3.1Å; H14-D17 WeakPolarHBondContact O-CB 3.31Å; H14-D17 PolarHBondContact O-N 2.8Å; D17-L20 PolarHBondContact O-N 3.32Å; D17-V21 WeakPolarHBondContact O-CG2 3.37Å; D17-V21 PolarHBondContact O-N 3.05Å; D17-Y46 PolarHBondContact OD1-OH 3.36Å; D17-I56 HydrophobicContact CB-CD1 3.86Å; D17-I56 HydrophobicContact CB-CG1 4.1Å
18Q64.9Low61.1Low115 Ų11589.4 Ų89.454%0.53747%0.47SS..Hα-helixtrans-66.2-42.9174.7-64.7-16613.400112.2P13 H14 N15 S16 L20 V21 K22P13-Q18 HydrophobicContact CB-CG 4.47Å; P13-Q18 HydrophobicContact CG-CG 4.28Å; H14-Q18 PolarHBondContact O-N 3.03Å; N15-Q18 PolarHBondContact O-N 3.15Å; S16-Q18 VanDerWaalsContact C-N 3.33Å; Q18-L20 VanDerWaalsContact C-N 3.34Å; Q18-L20 PolarHBondContact O-N 3.02Å; Q18-V21 PolarHBondContact O-N 2.94Å; Q18-K22 WeakPolarHBondContact O-CB 3.41Å; Q18-K22 PolarHBondContact O-N 3.25Å
19E73.6Confident62.2Low75 Ų7589.6 Ų89.635%0.3547%0.465SS..Hα-helixtrans-66.2-36.2176.9-175.656.6-148.800111.6N15 K22 Q23N15-E19 PolarHBondContact O-N 3.45Å; E19-K22 PolarHBondContact O-N 3.39Å; E19-K22 IonicContact OE1-NZ 3.98Å; E19-K22 PolarHBondContact OE1-NZ 2.81Å; E19-K22 IonicContact OE2-NZ 3.41Å; E19-K22 PolarHBondContact OE2-NZ 3.15Å; E19-Q23 WeakPolarHBondContact O-CG 3.36Å; E19-Q23 PolarHBondContact O-N 3.04Å; E19-Q23 PolarHBondContact OE1-NE2 2.75Å
20L70.5Confident63.8Low82 Ų8288.6 Ų88.643%0.42946%0.455SS..Hα-helixtrans-63.4-42.6170.8-72.1172.2000112.6S16 D17 Q18 K22 Q23 L24S16-L20 WeakPolarHBondContact O-CG 3.27Å; S16-L20 PolarHBondContact O-N 3.18Å; D17-L20 PolarHBondContact O-N 3.32Å; Q18-L20 VanDerWaalsContact C-N 3.34Å; Q18-L20 PolarHBondContact O-N 3.02Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.22Å; L20-Q23 PolarHBondContact O-N 2.88Å; L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 2.83Å
21V70Confident65Low35 Ų3588.9 Ų88.921%0.21246%0.464CS..Hα-helixtrans-62.3-38.1174.6167.80000111.6D17 Q18 T25 I56D17-V21 WeakPolarHBondContact O-CG2 3.37Å; D17-V21 PolarHBondContact O-N 3.05Å; Q18-V21 PolarHBondContact O-N 2.94Å; V21-T25 VanDerWaalsContact O-CB 3.27Å; V21-T25 WeakPolarHBondContact O-CB 3.18Å; V21-T25 PolarHBondContact O-N 3.36Å; V21-T25 PolarHBondContact O-OG1 3.2Å; V21-I56 HydrophobicContact CG2-CG2 3.43Å; V21-I56 VanDerWaalsContact CG2-CG2 3.43Å
22K72.2Confident66Low103 Ų10386.3 Ų86.345%0.44844%0.443SS..Hα-helixtrans-66.6-50.2176.3169.8168.4154.1-90.80111.9Q18 E19 L20 L24 T25 D26Q18-K22 WeakPolarHBondContact O-CB 3.41Å; Q18-K22 PolarHBondContact O-N 3.25Å; E19-K22 PolarHBondContact O-N 3.39Å; E19-K22 IonicContact OE1-NZ 3.98Å; E19-K22 PolarHBondContact OE1-NZ 2.81Å; E19-K22 IonicContact OE2-NZ 3.41Å; E19-K22 PolarHBondContact OE2-NZ 3.15Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.22Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-L24 PolarHBondContact O-N 3.04Å; K22-T25 WeakPolarHBondContact O-CA 3.35Å; K22-T25 VanDerWaalsContact O-CB 3.3Å; K22-T25 WeakPolarHBondContact O-CB 3.27Å; K22-T25 PolarHBondContact O-N 3.36Å; K22-T25 VanDerWaalsContact O-N 3.07Å; K22-D26 PolarHBondContact O-N 3.13Å
23Q74.3Confident66.2Low103 Ų10384.9 Ų84.948%0.48144%0.436SS..Hα-helixtrans-60.8-40.4177-70.1173.112.800112.3E19 L20 D26 L27E19-Q23 WeakPolarHBondContact O-CG 3.36Å; E19-Q23 PolarHBondContact O-N 3.04Å; E19-Q23 PolarHBondContact OE1-NE2 2.75Å; L20-Q23 PolarHBondContact O-N 2.88Å; Q23-D26 PolarHBondContact O-N 3.13Å; Q23-L27 WeakPolarHBondContact O-CB 3.48Å; Q23-L27 PolarHBondContact O-N 3.1Å
24L72.7Confident66.5Low55 Ų5591.8 Ų91.829%0.28845%0.454SS..Hα-helixtrans-64.6-40173.1-168.778.2000112.1L20 K22 I28 L44 I58L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 2.83Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-L24 PolarHBondContact O-N 3.04Å; L24-I28 HydrophobicContact CG-CD1 4.17Å; L24-I28 WeakPolarHBondContact O-CD1 3.32Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.35Å; L24-I28 PolarHBondContact O-N 2.83Å; L24-L44 HydrophobicContact CD2-CD2 4.17Å; L24-I58 HydrophobicContact CD2-CD1 3.57Å
25T69.7Low66Low21 Ų2187.6 Ų87.613%0.12944%0.439CS..Hα-helixtrans-61-46.4176.6-69.60000111.6V21 K22 I28 R29 F62V21-T25 VanDerWaalsContact O-CB 3.27Å; V21-T25 WeakPolarHBondContact O-CB 3.18Å; V21-T25 PolarHBondContact O-N 3.36Å; V21-T25 PolarHBondContact O-OG1 3.2Å; K22-T25 WeakPolarHBondContact O-CA 3.35Å; K22-T25 VanDerWaalsContact O-CB 3.3Å; K22-T25 WeakPolarHBondContact O-CB 3.27Å; K22-T25 PolarHBondContact O-N 3.36Å; K22-T25 VanDerWaalsContact O-N 3.07Å; T25-I28 PolarHBondContact O-N 2.99Å; T25-R29 WeakPolarHBondContact O-CG 3.45Å; T25-R29 PolarHBondContact O-N 3.35Å; T25-F62 HydrophobicContact CG2-CE1 4.17Å; T25-F62 HydrophobicContact CG2-CZ 3.59Å
26D73Confident65.7Low65 Ų6591.7 Ų91.735%0.34845%0.451SS..Hα-helixtrans-73-33.4-178-66.7-36.7000111.8K22 Q23 I28 R29 Q30K22-D26 PolarHBondContact O-N 3.13Å; Q23-D26 PolarHBondContact O-N 3.13Å; D26-I28 PolarHBondContact O-N 2.82Å; D26-R29 PolarHBondContact O-N 2.89Å; D26-R29 WeakPolarHBondContact OD1-CD 3.36Å; D26-R29 IonicContact OD1-CZ 3.79Å; D26-R29 IonicContact OD1-NE 2.95Å; D26-R29 IonicContact OD1-NH1 3.76Å; D26-R29 PolarHBondContact OD1-NH1 3.49Å; D26-Q30 WeakPolarHBondContact O-CB 3.25Å; D26-Q30 PolarHBondContact O-N 3.25Å
27L75.2Confident65Low95 Ų95100 Ų10050%0.49747%0.473SS..Hα-helixtrans-59.1-42.5166.3-91.7167000112.7Q23 Q30 N31Q23-L27 WeakPolarHBondContact O-CB 3.48Å; Q23-L27 PolarHBondContact O-N 3.1Å; L27-Q30 PolarHBondContact O-N 3.49Å; L27-N31 PolarHBondContact O-N 2.89Å; L27-N31 VanDerWaalsContact O-N 3.13Å; L27-N31 PolarHBondContact O-ND2 3.32Å
28I68.5Low64Low54 Ų54103.4 Ų103.428%0.27749%0.491SS..Hα-helixtrans-66.8-40.4177.5-69.9164.6000110.8L24 T25 D26 N31 V32 V40L24-I28 HydrophobicContact CG-CD1 4.17Å; L24-I28 WeakPolarHBondContact O-CD1 3.32Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.35Å; L24-I28 PolarHBondContact O-N 2.83Å; T25-I28 PolarHBondContact O-N 2.99Å; D26-I28 PolarHBondContact O-N 2.82Å; I28-N31 PolarHBondContact O-N 2.86Å; I28-V32 PolarHBondContact O-N 2.96Å; I28-V40 HydrophobicContact CD1-CG1 4.31Å; I28-V40 HydrophobicContact CD1-CG2 4.38Å; I28-V40 HydrophobicContact CG2-CG2 4.29Å
29R65.7Low63.4Low139 Ų139103.1 Ų103.153%0.52549%0.493SS..Hα-helixtrans-60.8-45.8174.2-73.9164.6164.5176.9-8.8112T25 D26 N31 V32T25-R29 WeakPolarHBondContact O-CG 3.45Å; T25-R29 PolarHBondContact O-N 3.35Å; D26-R29 PolarHBondContact O-N 2.89Å; D26-R29 WeakPolarHBondContact OD1-CD 3.36Å; D26-R29 IonicContact OD1-CZ 3.79Å; D26-R29 IonicContact OD1-NE 2.95Å; D26-R29 IonicContact OD1-NH1 3.76Å; D26-R29 PolarHBondContact OD1-NH1 3.49Å; R29-N31 VanDerWaalsContact C-N 3.34Å; R29-N31 PolarHBondContact O-N 3.49Å; R29-V32 PolarHBondContact O-N 3.5Å
30Q70.6Confident62.5Low151 Ų151101.1 Ų101.171%0.70649%0.486SS*.Hα-helixtrans-65.1-36.2-178-167.5175.22700112.5D26 L27D26-Q30 WeakPolarHBondContact O-CB 3.25Å; D26-Q30 PolarHBondContact O-N 3.25Å; L27-Q30 PolarHBondContact O-N 3.49Å
31N68.5Low61.9Low121 Ų121101.9 Ų101.965%0.64749%0.49SS*.Hα-helixtrans-89.6-12.6-179.1-71.9-83.4000114.3L27 I28 R29L27-N31 PolarHBondContact O-N 2.89Å; L27-N31 VanDerWaalsContact O-N 3.13Å; L27-N31 PolarHBondContact O-ND2 3.32Å; I28-N31 PolarHBondContact O-N 2.86Å; R29-N31 VanDerWaalsContact C-N 3.34Å; R29-N31 PolarHBondContact O-N 3.49Å
32V65.8Low61.9Low59 Ų59100.7 Ų100.736%0.35848%0.484SS..  trans-134.362-179.5-158.50000112.1I28 R29 Y34 S35 L38I28-V32 PolarHBondContact O-N 2.96Å; R29-V32 PolarHBondContact O-N 3.5Å; V32-Y34 PolarHBondContact O-N 3.39Å; V32-Y34 VanDerWaalsContact O-N 3.11Å; V32-S35 WeakPolarHBondContact CG1-OG 3.33Å; V32-S35 PolarHBondContact O-N 3.17Å; V32-S35 PolarHBondContact O-OG 3.22Å; V32-L38 HydrophobicContact CG1-CD1 4.14Å
33P56.8Low61.4Low94 Ų9498.6 Ų98.661%0.6148%0.477SS*.THydrogen-bonded Turntrans-62.1-24.4-173.623.7-34.5000114.6
34Y52.4Low61.4Low221 Ų22196.7 Ų96.787%0.86747%0.47SS*.THydrogen-bonded Turntrans-84-7.3-176.7-62.7-73.1000114.6V32 K36V32-Y34 PolarHBondContact O-N 3.39Å; V32-Y34 VanDerWaalsContact O-N 3.11Å; Y34-K36 PolarHBondContact O-N 3.38Å; Y34-K36 VanDerWaalsContact O-N 3.09Å
35S47.3Very low61.8Low43 Ų4397.2 Ų97.230%0.30148%0.478SS..  trans-88.572.6-171.161.20000114.9V32 R37V32-S35 WeakPolarHBondContact CG1-OG 3.33Å; V32-S35 PolarHBondContact O-N 3.17Å; V32-S35 PolarHBondContact O-OG 3.22Å; S35-R37 PolarHBondContact O-N 3.28Å
36K48.4Very low62.2Low212 Ų21298.8 Ų98.892%0.92248%0.482SS*.THydrogen-bonded Turntrans-63.116.1169.2-62.7-174.1178-1790115Y34Y34-K36 PolarHBondContact O-N 3.38Å; Y34-K36 VanDerWaalsContact O-N 3.09Å
37R44.2Very low62.5Low237 Ų237100.8 Ų100.889%0.89450%0.497SS*.THydrogen-bonded Turntrans-152.39.6-168.5-79.3-167.1164.8-171.7-4.4115.7S35 D39S35-R37 PolarHBondContact O-N 3.28Å; R37-D39 PolarHBondContact O-N 3.49Å
38L41.1Very low62.6Low92 Ų9297.5 Ų97.548%0.48248%0.481SS..  trans-84.989.2174.6-81.5179.5000111.1V32 V40V32-L38 HydrophobicContact CG1-CD1 4.14Å; L38-V40 PolarHBondContact O-N 2.86Å
39D51.4Low62.7Low108 Ų108102.2 Ų102.258%0.57851%0.507SS*.  trans-63.199.9156.6-76.5-28.9000108R37 L41R37-D39 PolarHBondContact O-N 3.49Å; D39-L41 VanDerWaalsContact C-N 3.34Å; D39-L41 HydrophobicContact CB-CG 4.38Å; D39-L41 PolarHBondContact O-N 3.48Å
40V53.7Low63.1Low33 Ų33101.8 Ų101.820%0.252%0.515CS..EExtended strand (participates in β ladder)trans-77.492.2174-172.50000107.8I28 L38 I58 S60I28-V40 HydrophobicContact CD1-CG1 4.31Å; I28-V40 HydrophobicContact CD1-CG2 4.38Å; I28-V40 HydrophobicContact CG2-CG2 4.29Å; L38-V40 PolarHBondContact O-N 2.86Å; V40-I58 HydrophobicContact CB-CG2 4.31Å; V40-I58 HydrophobicContact CG1-CG2 3.81Å; V40-S60 PolarHBondContact O-N 2.85Å; V40-S60 VanDerWaalsContact O-N 3.11Å
41L58.7Low63.1Low99 Ų9997.5 Ų97.552%0.51851%0.511SS..EExtended strand (participates in β ladder)trans-104.1115.3169.9-61.4179000108.1F5 D39 I58F5-L41 WeakPolarHBondContact CZ-O 3.26Å; D39-L41 VanDerWaalsContact C-N 3.34Å; D39-L41 HydrophobicContact CB-CG 4.38Å; D39-L41 PolarHBondContact O-N 3.48Å; L41-I58 WeakPolarHBondContact CA-O 3.4Å
42G69.1Low63.1Low9 Ų995.2 Ų95.29%0.09350%0.504CS..EExtended strand (participates in β ladder)trans-155.5165.3-169.700000113.8I58G42-I58 PolarHBondContact N-O 2.88Å; G42-I58 PolarHBondContact O-N 2.98Å
43I62Low63.5Low60 Ų6097.9 Ų97.931%0.30851%0.512SS..EExtended strand (participates in β ladder)trans-123122.6160.2-63.2174.4000105.6F5 F55 I56F5-I43 HydrophobicContact CD1-CD1 3.94Å; F5-I43 HydrophobicContact CD1-CG1 4.01Å; F5-I43 HydrophobicContact CE1-CG1 4.1Å; I43-F55 HydrophobicContact CG2-CB 3.89Å; I43-F55 HydrophobicContact CG2-CD1 3.93Å; I43-F55 HydrophobicContact CG2-CG 4.37Å; I43-I56 CarbonylContact C-O 3.43Å; I43-I56 VanDerWaalsContact CA-O 3.32Å; I43-I56 WeakPolarHBondContact CA-O 3.45Å
44L74.2Confident64.5Low63 Ų6397.8 Ų97.833%0.3350%0.502SS..EExtended strand (participates in β ladder)trans-96.2108.9173.8174.964.5000108.5L24 F55 I56 I58L24-L44 HydrophobicContact CD2-CD2 4.17Å; L44-F55 WeakPolarHBondContact O-CA 3.11Å; L44-I56 HydrophobicContact CB-CB 4.35Å; L44-I56 PolarHBondContact N-O 2.96Å; L44-I56 PolarHBondContact O-N 3.12Å; L44-I58 HydrophobicContact CB-CD1 4.14Å
45S81Confident65.6Low65 Ų6590.8 Ų90.846%0.45548%0.476SS..EExtended strand (participates in β ladder)trans-77.2127164.248.50000109.6E53 K54S45-E53 WeakPolarHBondContact CB-OE1 3.31Å; S45-K54 CarbonylContact C-O 3.48Å; S45-K54 WeakPolarHBondContact CA-O 3.37Å
46Y78.2Confident66.8Low55 Ų5589.3 Ų89.322%0.21647%0.465CS..EExtended strand (participates in β ladder)trans-139.7139.3173.175.3-86.6000111.2D17 T48 K54 I56D17-Y46 PolarHBondContact OD1-OH 3.36Å; Y46-T48 HydrophobicContact CE2-CG2 4.13Å; Y46-K54 HydrophobicContact CD1-CB 3.91Å; Y46-K54 HydrophobicContact CD2-CB 4.48Å; Y46-K54 HydrophobicContact CE1-CB 3.54Å; Y46-K54 HydrophobicContact CE1-CD 4.15Å; Y46-K54 HydrophobicContact CE2-CB 4.16Å; Y46-K54 HydrophobicContact CE2-CD 3.85Å; Y46-K54 HydrophobicContact CG-CB 4.39Å; Y46-K54 VanDerWaalsContact CZ-CD 3.48Å; Y46-K54 PolarHBondContact N-O 3.37Å; Y46-K54 PolarHBondContact O-N 2.89Å; Y46-K54 WeakPolarHBondContact OH-CD 3.13Å; Y46-I56 HydrophobicContact CD1-CD1 4.15Å; Y46-I56 HydrophobicContact CE1-CD1 3.46Å; Y46-I56 VanDerWaalsContact CE1-CD1 3.46Å; Y46-I56 HydrophobicContact CE1-CG1 3.81Å
47T79.5Confident67.8Low106 Ų10685.3 Ų85.365%0.6545%0.448SS*.EExtended strand (participates in β ladder)trans-88.3128.7174.749.90000110.3C52T47-C52 WeakPolarHBondContact CA-O 3.5Å
48T77.1Confident69Low27 Ų2774.7 Ų74.717%0.16641%0.409CS..  trans-74.4162.1167.661.10000111.3Y46 N50 G51 C52 K54Y46-T48 HydrophobicContact CE2-CG2 4.13Å; T48-N50 PolarHBondContact O-N 3.43Å; T48-N50 VanDerWaalsContact O-N 3.14Å; T48-N50 PolarHBondContact OG1-N 3.36Å; T48-G51 PolarHBondContact O-N 3.27Å; T48-C52 PolarHBondContact N-O 3.04Å; T48-C52 WeakPolarHBondContact OG1-CB 3Å; T48-C52 PolarHBondContact OG1-N 2.79Å; T48-C52 PolarHBondContact OG1-O 3.44Å; T48-K54 HydrophobicContact CG2-CD 3.67Å; T48-K54 HydrophobicContact CG2-CG 4.17Å
49D70.8Confident69.5Low153 Ų15375 Ų7582%0.81841%0.411SS*.THydrogen-bonded Turntrans-39.1-42.9161.955.9-9.4000114.3G51D49-G51 PolarHBondContact O-N 3.4Å; D49-G51 VanDerWaalsContact O-N 3.11Å
50N75.5Confident69.5Low130 Ų13070.5 Ų70.570%0.69539%0.388SS*.THydrogen-bonded Turntrans-75.511.9179.3-66.5-69.1000114.4T48 C52T48-N50 PolarHBondContact O-N 3.43Å; T48-N50 VanDerWaalsContact O-N 3.14Å; T48-N50 PolarHBondContact OG1-N 3.36Å; N50-C52 PolarHBondContact O-N 3.32Å; N50-C52 VanDerWaalsContact O-N 3.13Å
51G69.2Low68.8Low61 Ų6173.5 Ų73.563%0.62941%0.41SS*.SBendtrans73.2-5.4-17900000115.7T48 D49 E53T48-G51 PolarHBondContact O-N 3.27Å; D49-G51 PolarHBondContact O-N 3.4Å; D49-G51 VanDerWaalsContact O-N 3.11Å; G51-E53 PolarHBondContact O-N 2.94Å
52C69.3Low67.7Low73 Ų7373.3 Ų73.349%0.49341%0.405SS..  trans-71.6124178.5-610000111.8T47 T48 N50T47-C52 WeakPolarHBondContact CA-O 3.5Å; T48-C52 PolarHBondContact N-O 3.04Å; T48-C52 WeakPolarHBondContact OG1-CB 3Å; T48-C52 PolarHBondContact OG1-N 2.79Å; T48-C52 PolarHBondContact OG1-O 3.44Å; N50-C52 PolarHBondContact O-N 3.32Å; N50-C52 VanDerWaalsContact O-N 3.13Å
53E74.4Confident65.9Low115 Ų11577.6 Ų77.654%0.53743%0.434SS..EExtended strand (participates in β ladder)trans-76.3125.6167.5-167.8179.9-165.400110.3S45 G51 F55S45-E53 WeakPolarHBondContact CB-OE1 3.31Å; G51-E53 PolarHBondContact O-N 2.94Å; E53-F55 HydrophobicContact CG-CE1 4.22Å; E53-F55 HydrophobicContact CG-CE2 4.12Å; E53-F55 HydrophobicContact CG-CZ 3.72Å
54K76.2Confident64.4Low92 Ų9280.4 Ų80.440%0.445%0.454SS..EExtended strand (participates in β ladder)trans-116.8149.2177.3-74.9-176.2174.7-179.40110.6S45 Y46 T48S45-K54 CarbonylContact C-O 3.48Å; S45-K54 WeakPolarHBondContact CA-O 3.37Å; Y46-K54 HydrophobicContact CD1-CB 3.91Å; Y46-K54 HydrophobicContact CD2-CB 4.48Å; Y46-K54 HydrophobicContact CE1-CB 3.54Å; Y46-K54 HydrophobicContact CE1-CD 4.15Å; Y46-K54 HydrophobicContact CE2-CB 4.16Å; Y46-K54 HydrophobicContact CE2-CD 3.85Å; Y46-K54 HydrophobicContact CG-CB 4.39Å; Y46-K54 VanDerWaalsContact CZ-CD 3.48Å; Y46-K54 PolarHBondContact N-O 3.37Å; Y46-K54 PolarHBondContact O-N 2.89Å; Y46-K54 WeakPolarHBondContact OH-CD 3.13Å; T48-K54 HydrophobicContact CG2-CD 3.67Å; T48-K54 HydrophobicContact CG2-CG 4.17Å
55F76.4Confident62.2Low73 Ų7382.5 Ų82.532%0.3247%0.469SS..EExtended strand (participates in β ladder)trans-121.4107.6-178-59.2-82.3000110.7Y10 I43 L44 E53Y10-F55 HydrophobicContact CE1-CB 4.18Å; Y10-F55 AromaticContact CE1-CD2 3.99Å; Y10-F55 HydrophobicContact CE1-CD2 3.99Å; Y10-F55 HydrophobicContact CE1-CG 4.44Å; Y10-F55 HydrophobicContact CE2-CB 4.38Å; Y10-F55 AromaticContact CZ-CD2 3.98Å; I43-F55 HydrophobicContact CG2-CB 3.89Å; I43-F55 HydrophobicContact CG2-CD1 3.93Å; I43-F55 HydrophobicContact CG2-CG 4.37Å; L44-F55 WeakPolarHBondContact O-CA 3.11Å; E53-F55 HydrophobicContact CG-CE1 4.22Å; E53-F55 HydrophobicContact CG-CE2 4.12Å; E53-F55 HydrophobicContact CG-CZ 3.72Å
56I72.2Confident59.7Low12 Ų1286 Ų866%0.06248%0.483CS..EExtended strand (participates in β ladder)trans-87.5127.7169.4-82.3165.1000108.8D17 V21 I43 L44 Y46 I58D17-I56 HydrophobicContact CB-CD1 3.86Å; D17-I56 HydrophobicContact CB-CG1 4.1Å; V21-I56 HydrophobicContact CG2-CG2 3.43Å; V21-I56 VanDerWaalsContact CG2-CG2 3.43Å; I43-I56 CarbonylContact C-O 3.43Å; I43-I56 VanDerWaalsContact CA-O 3.32Å; I43-I56 WeakPolarHBondContact CA-O 3.45Å; L44-I56 HydrophobicContact CB-CB 4.35Å; L44-I56 PolarHBondContact N-O 2.96Å; L44-I56 PolarHBondContact O-N 3.12Å; Y46-I56 HydrophobicContact CD1-CD1 4.15Å; Y46-I56 HydrophobicContact CE1-CD1 3.46Å; Y46-I56 VanDerWaalsContact CE1-CD1 3.46Å; Y46-I56 HydrophobicContact CE1-CG1 3.81Å; I56-I58 HydrophobicContact CG2-CG1 4.21Å
57K69.8Low57.4Low128 Ų12892.4 Ų92.456%0.55752%0.515SS*.EExtended strand (participates in β ladder)trans-86.2117.1170.2-168.3-171.9179.6-142.40109.6D59K57-D59 WeakPolarHBondContact CD-OD2 3.15Å; K57-D59 WeakPolarHBondContact CE-OD1 3.31Å; K57-D59 VanDerWaalsContact CE-OD2 3.27Å; K57-D59 WeakPolarHBondContact CE-OD2 3.26Å; K57-D59 IonicContact NZ-OD1 2.73Å; K57-D59 PolarHBondContact NZ-OD1 3.42Å; K57-D59 IonicContact NZ-OD2 3.15Å; K57-D59 PolarHBondContact NZ-OD2 3.38Å
58I69Low54.9Low15 Ų1590.9 Ų90.98%0.07752%0.52CS..EExtended strand (participates in β ladder)trans-90.9104.4174-49.7169.2000107.3L24 V40 L41 G42 L44 I56 S60L24-I58 HydrophobicContact CD2-CD1 3.57Å; V40-I58 HydrophobicContact CB-CG2 4.31Å; V40-I58 HydrophobicContact CG1-CG2 3.81Å; L41-I58 WeakPolarHBondContact CA-O 3.4Å; G42-I58 PolarHBondContact N-O 2.88Å; G42-I58 PolarHBondContact O-N 2.98Å; L44-I58 HydrophobicContact CB-CD1 4.14Å; I56-I58 HydrophobicContact CG2-CG1 4.21Å; I58-S60 WeakPolarHBondContact CG2-OG 3.16Å
59D52.7Low52.7Low98 Ų9894 Ų9452%0.52455%0.549SS..EExtended strand (participates in β ladder)trans-110.181.8169.3-75.3-41.4000109.1K57K57-D59 WeakPolarHBondContact CD-OD2 3.15Å; K57-D59 WeakPolarHBondContact CE-OD1 3.31Å; K57-D59 VanDerWaalsContact CE-OD2 3.27Å; K57-D59 WeakPolarHBondContact CE-OD2 3.26Å; K57-D59 IonicContact NZ-OD1 2.73Å; K57-D59 PolarHBondContact NZ-OD1 3.42Å; K57-D59 IonicContact NZ-OD2 3.15Å; K57-D59 PolarHBondContact NZ-OD2 3.38Å
60S50.4Low50.7Low14 Ų1491.8 Ų91.810%0.09855%0.545CS..EExtended strand (participates in β ladder)trans-106.480.9-179.2-57.80000112V40 I58 F62V40-S60 PolarHBondContact O-N 2.85Å; V40-S60 VanDerWaalsContact O-N 3.11Å; I58-S60 WeakPolarHBondContact CG2-OG 3.16Å; S60-F62 PolarHBondContact O-N 3.34Å
61S39.4Very low48.4Very low96 Ų9694.3 Ų94.367%0.67155%0.553SS**  trans-86.296.7169.956.80000110.7S63S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 VanDerWaalsContact O-N 3.16Å
62F36.2Very low46.5Very low94 Ų94101.1 Ų101.141%0.41257%0.565SS.*  trans-8291-177.2-68.7-71.4000112.7T25 S60 V64T25-F62 HydrophobicContact CG2-CE1 4.17Å; T25-F62 HydrophobicContact CG2-CZ 3.59Å; S60-F62 PolarHBondContact O-N 3.34Å; F62-V64 PolarHBondContact O-N 3.24Å
63S29.4Very low44.8Very low99 Ų99105.9 Ų105.969%0.69259%0.585SS**  trans-75.6107.6156.352.70000109.3S61 T65S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 VanDerWaalsContact O-N 3.16Å; S63-T65 VanDerWaalsContact C-N 3.34Å; S63-T65 PolarHBondContact O-N 3.26Å
64V31.7Very low42.6Very low120 Ų120109.5 Ų109.573%0.72760%0.599SS**  trans-75.789.4170.7-178.60000108.7F62 N66F62-V64 PolarHBondContact O-N 3.24Å; V64-N66 VanDerWaalsContact CG1-OD1 3.31Å; V64-N66 WeakPolarHBondContact CG1-OD1 3.44Å
65T27.7Very low40.4Very low107 Ų107111.7 Ų111.766%0.65662%0.615SS**  trans-78.3108.6159.943.70000107.9S63 E67S63-T65 VanDerWaalsContact C-N 3.34Å; S63-T65 PolarHBondContact O-N 3.26Å; T65-E67 PolarHBondContact O-N 3.47Å
66N29.4Very low38.4Very low137 Ų137115.6 Ų115.673%0.73364%0.638SS**  trans-73.766.6173.6-93.515000110.8V64 G68V64-N66 VanDerWaalsContact CG1-OD1 3.31Å; V64-N66 WeakPolarHBondContact CG1-OD1 3.44Å; N66-G68 PolarHBondContact O-N 3.06Å
67E28.6Very low36.3Very low190 Ų190119.2 Ų119.289%0.88867%0.665SS**  trans-76.479.7159.9-65.6-162.4157.900107.9T65T65-E67 PolarHBondContact O-N 3.47Å
68G27.6Very low34.7Very low74 Ų74120.2 Ų120.276%0.76368%0.676SS**  trans179.430.6-167.900000114.3N66N66-G68 PolarHBondContact O-N 3.06Å
69A30.2Very low32.8Very low93 Ų93130 Ų13077%0.76971%0.714SS**  trans-130.5110.7171.100000108.5
70S28.7Very low31.9Very low106 Ų106130.5 Ų130.574%0.74172%0.722SS**  trans-70.3140.5-163.9-51.50000114.9K72S70-K72 PolarHBondContact O-N 2.94Å
71E27.5Very low30.8Very low184 Ų184135.5 Ų135.586%0.8675%0.752SS**  trans30.580130-56.2179.310700117.9
72K30Very low30.2Very low203 Ų203138.4 Ų138.488%0.88376%0.759SS**  trans-160.1161.9146.2-113.9155.8-172.1176.20112.1S70S70-K72 PolarHBondContact O-N 2.94Å
73L33.1Very low29.7Very low174 Ų174140.5 Ų140.591%0.91178%0.775SS**  trans61.372.5177.9-66.8162.1000114.8
74K28.7Very low29.7Very low191 Ų191141.9 Ų141.983%0.8378%0.784SS**  trans-62.9140.2149.8-58.7172178.31760109.5
75N29.4Very low29.4Very low138 Ų138142.2 Ų142.274%0.73879%0.786SS**  trans141.2140.1137.2-72.5-9.1000111.4
76L35.2Very low29.5Very low155 Ų155146.7 Ų146.781%0.81280%0.797SS**  trans65.2113.1171.9-58.7140000112.6
77S27.4Very low29.3Very low88 Ų88147.2 Ų147.262%0.61580%0.798SS**  cis60.2130.632.7100.30000111.9
78D36.1Very low29.4Very low148 Ų148143.3 Ų143.379%0.79179%0.791SS**  cis-129.1170.637.1-66.6-42.6000117.8
79Y28.4Very low29.3Very low222 Ų222143.6 Ų143.687%0.87179%0.787SS**  trans-102.3-165.2175.8-97.1-82.8000109.1
80P34.4Very low29.2Very low108 Ų108146 Ų14670%0.70179%0.787SS**  cis-131.5-178.7-29.429.6-9.1000113.7
81T27.7Very low29.2Very low119 Ų119150.3 Ų150.373%0.7379%0.788SS**  trans-57.5154.1149.952.60000113.4
82L26.6Very low29.2Very low157 Ų157147.6 Ų147.682%0.82278%0.779SS**  -173.1162116.3-105.5169000115.9
83N25.3Very low29.2Very low138 Ų138143.3 Ų143.374%0.73878%0.775SS**  trans-70156.6177.4-49.6-66.2000113
84S29.4Very low29Very low128 Ų128140.3 Ų140.390%0.89577%0.768SS**  trans-153.2142136-89.10000113.2
85V25.9Very low29.2Very low126 Ų126140.1 Ų140.176%0.76477%0.768SS**  trans-79.6145.3-179.1173.40000110.4I87V85-I87 HydrophobicContact CG1-CG1 4.17Å
86K29.2Very low29.4Very low202 Ų202139.7 Ų139.788%0.87876%0.764SS**  trans-143.9138147.7-154.2165.5-174177.10112.4
87I26.6Very low29.2Very low148 Ų148140.4 Ų140.476%0.75976%0.763SS**  trans-105.9126-180-61.6168000108.5V85V85-I87 HydrophobicContact CG1-CG1 4.17Å
88S29.6Very low29.7Very low107 Ų107140.5 Ų140.575%0.74876%0.762SS**  trans-158.4120.3153.9-67.30000105.2
89A26.4Very low29.4Very low80 Ų80139.1 Ų139.166%0.66176%0.759SS**  80.4133.553.500000113.2
90D27.9Very low29.8Very low144 Ų144135.7 Ų135.777%0.7776%0.755SS**  trans83.9128.2152.3-63.6-35000123.6
91Y27.5Very low29.6Very low197 Ų197137.8 Ų137.877%0.77376%0.761SS**  trans81.3101.5143.4-87.8-117.5000123.2
92N27.6Very low29.9Very low126 Ų126141.6 Ų141.667%0.67476%0.763SS**  31.5119109.7-63.1-19.8000120.1
93S31.1Very low30.7Very low114 Ų114138.9 Ų138.980%0.79776%0.755SS**  -174.3130.9113.9-79.70000109.8
94S29.5Very low31.1Very low110 Ų110139.1 Ų139.177%0.76975%0.752SS**  cis82.3101.749.4-61.40000114.2
95K33.1Very low31.2Very low187 Ų187138.9 Ų138.981%0.81374%0.74SS**  trans-171.5119.1135.4-97.9-159.8176.9-173.20109.6
96I32.9Very low31.7Very low130 Ų130140 Ų14067%0.66774%0.741SS**  73105.791.6-70.6179.9000111.1
97E29.7Very low32.1Very low170 Ų170138.2 Ų138.279%0.79474%0.735SS**  78.3161.274.4-102.3-164.1138.800113.9
98P37.9Very low32.4Very low90 Ų90136 Ų13658%0.58473%0.733SS**  cis-135.3-174.5-3.431.5-8.3000115.6
99T31.6Very low32.7Very low118 Ų118138.9 Ų138.972%0.72474%0.735SS**  trans59.1155.7146.943.60000121.4
100D35.2Very low32.9Very low150 Ų150143 Ų14380%0.80274%0.74SS**  cis-136.3164.910.3-89.7-56.1000113.2
101D31Very low33.3Very low153 Ų153144.7 Ų144.782%0.81874%0.743SS**  trans-80.6153.5167.6-76.9-77.5000113.4
102Y34.2Very low33.4Very low199 Ų199139.8 Ų139.878%0.7874%0.738SS**  177.4156.2107.5-137.2-116.6000112.4
103P42.2Very low33.5Very low99 Ų99138.4 Ų138.464%0.64374%0.738SS**  trans-107.9-143.4-177.841.8-32.9000113.2
104Q34.7Very low33.5Very low143 Ų143138.7 Ų138.767%0.66874%0.735SS**  trans82146.5-177.4-56-171.9-99.500115.2
105D30.5Very low33.8Very low124 Ų124141.8 Ų141.866%0.66374%0.737SS**  cis-163.5-161.6-15.6-100.8-21.2000107.8
106I36.9Very low33.8Very low150 Ų150137.8 Ų137.877%0.76973%0.733SS**  trans80127.8156.9-57.6175.7000116.1
107E36.8Very low34.1Very low163 Ų163137.8 Ų137.876%0.76274%0.741SS**  cis-157.5164.1-10.3-114.6178151.800110.8
108S32.9Very low34.2Very low101 Ų101133.1 Ų133.171%0.70674%0.738SS**  trans21.4154.7140.4-44.40000122.3
109E36Very low34.1Very low169 Ų169133.2 Ų133.279%0.7975%0.747SS**  cis-136.6137.211.4-62.5172.611400109.2
110Q31.4Very low34.3Very low167 Ų167133.3 Ų133.378%0.7875%0.752SS**  35.7113.988.5-61.4-16427.600117.1
111H36.7Very low34.7Very low178 Ų178132 Ų13282%0.82475%0.752SS**  -175164.2108.3-95.5-60.1000111.9
112S29.3Very low35.3Very low95 Ų95130.2 Ų130.266%0.66475%0.749SS**  trans-124.2147.7-160.557.30000114.5
113S29.9Very low35.5Very low97 Ų97128.9 Ų128.968%0.67875%0.754SS**  trans57.8133.1149.863.20000120.2
114T31.8Very low35.5Very low119 Ų119131.8 Ų131.873%0.7376%0.763SS**  174.7167.5105.135.80000113.2
115H35.8Very low35.8Very low175 Ų175130.7 Ų130.781%0.8177%0.769SS**  trans70.992.5157.4-70-61000122.7
116S32.2Very low36.5Very low104 Ų104130.6 Ų130.673%0.72778%0.775SS**  -65.9177.5128.4-35.40000110.9
117P39.9Very low36.5Very low129 Ų129128.8 Ų128.884%0.83878%0.776SS**  cis-141.7-173.35.844.2-26.1000116.3
118G31.5Very low36.5Very low72 Ų72128.6 Ų128.674%0.74278%0.778SS**  127.1133.6129.900000121.6
119A35Very low36.5Very low92 Ų92129.7 Ų129.776%0.7678%0.775SS**  trans72.489.9140.800000123.4
120S35.3Very low36.5Very low120 Ų120129.1 Ų129.184%0.83977%0.772SS**  61130.3113.7-53.60000123.9
121P44Very low36.7Very low124 Ų124127.1 Ų127.181%0.80577%0.766SS**  trans-106.6168.6168.640.8-34.3000115.1
122P45.1Very low36.8Very low115 Ų115121.6 Ų121.675%0.74776%0.757SS**  trans-119.5170.616540.5-30.1000113.5
123L36.9Very low37.1Very low170 Ų170126.3 Ų126.389%0.8977%0.766SS**  cis-161.6161.4-29.3-108173.5000109.2
124L43.6Very low37.3Very low160 Ų160126.3 Ų126.384%0.83877%0.772SS**  trans-92.6168170.5-66.7155000110.9
125P40.9Very low37.4Very low120 Ų120124.1 Ų124.178%0.77977%0.773SS**  -149.5-178.210237.8-19.1000113.5
126P44.2Very low37.3Very low122 Ų122126.4 Ų126.479%0.79277%0.774SS**  cis-124.5-11810.634.6-12.1000115.5
127S37.2Very low37.5Very low113 Ų113126.4 Ų126.479%0.7977%0.77SS**  trans-170.5-158.4-157.8-77.50000111.7
128I36.3Very low37.2Very low159 Ų159126.9 Ų126.982%0.81577%0.765SS**  trans103.1125.9169.9-57.1177.2000115.2
129I33.2Very low37.3Very low124 Ų124131.3 Ų131.364%0.63677%0.767SS**  cis-168.5135.3-30-119.4163.9000111.1
130Q36.6Very low37.4Very low156 Ų156134.3 Ų134.373%0.72976%0.763SS**  trans43.8-177.4149.3-54.5167.9-80.700119.8
131L35.3Very low37.5Very low125 Ų125133.1 Ų133.165%0.65475%0.752SS**  cis-154.1158.6-1.8-124.5137.5000105.6K133L131-K133 HydrophobicContact CD2-CD 4.16Å; L131-K133 HydrophobicContact CD2-CG 4.44Å
132G38Very low37.1Very low62 Ų62133.4 Ų133.464%0.63975%0.747SS**  cis143.9159.2-8.900000112.9
133K36.3Very low37.1Very low195 Ų195132.5 Ų132.585%0.84874%0.741SS**  trans74.2154.8164.6-59.5172.4-178.9175.80117.8L131L131-K133 HydrophobicContact CD2-CD 4.16Å; L131-K133 HydrophobicContact CD2-CG 4.44Å
134A34.8Very low37Very low97 Ų97131.8 Ų131.880%0.80274%0.738SS**  cis-162.2145.7-23.100000108.3
135G33.9Very low36.7Very low72 Ų72133.1 Ų133.174%0.74274%0.74SS**  123.8164.385.800000109.3
136R33.8Very low36.4Very low224 Ų224131.9 Ų131.985%0.84573%0.734SS**  cis-168.5148.32.1-119.7-164.3178.7179.6-2.1109.4
137T36.6Very low36Very low103 Ų103134 Ų13463%0.63273%0.733SS**  trans54146.7142.860.60000121.7
138D33Very low36.1Very low139 Ų139137.4 Ų137.474%0.74374%0.737SS**  cis-166.9169.4-9.1-100-21.2000110.9
139E32.4Very low35.9Very low166 Ų166133.9 Ų133.978%0.77673%0.731SS**  trans30.2134.3160.4-51.3-149.694.300122.1
140K37.3Very low36Very low155 Ų155135.5 Ų135.567%0.67474%0.74SS**  cis75.5138.736.4-153.5-104.8174.2-145.30111.9D142K140-D142 IonicContact NZ-OD2 3.3Å; K140-D142 PolarHBondContact NZ-OD2 3.12Å; K140-D142 VanDerWaalsContact NZ-OD2 3.15Å
141P37.4Very low35.6Very low95 Ų95134.3 Ų134.362%0.61774%0.743SS**  cis-133.5-137.7-12.344-24.6000113
142D37.1Very low35.6Very low130 Ų130135.2 Ų135.270%0.69575%0.747SS**  cis-153169.3-14.5-109.3-47.5000107.3K140K140-D142 IonicContact NZ-OD2 3.3Å; K140-D142 PolarHBondContact NZ-OD2 3.12Å; K140-D142 VanDerWaalsContact NZ-OD2 3.15Å
143P44.2Very low35.4Very low96 Ų96140.2 Ų140.262%0.62375%0.754SS**  trans-113-176.2-166.643-36.7000116.4
144N34.7Very low35.4Very low154 Ų154136.9 Ų136.982%0.82475%0.752SS**  trans177168139.5-91.7-26.6000116.1
145E37.2Very low35.2Very low188 Ų188136.7 Ų136.788%0.87975%0.745SS**  trans70.2154165.4-56.2-167.6162.100120.6
146S35.7Very low35.3Very low95 Ų95140.8 Ų140.866%0.66475%0.75SS**  -167.2167.4-60.345.80000112.6
147E35Very low35.2Very low165 Ų165135.3 Ų135.377%0.77174%0.741SS**  trans61.8120.7162.1-50.2-153.7108.200121.5
148H39.6Very low35Very low186 Ų186139.8 Ų139.886%0.86175%0.752SS**  -176.8157.398.6-106-80.1000111.7
149A32.3Very low34.9Very low84 Ų84141 Ų14169%0.69475%0.753SS**  trans-131.1160.2-178.100000112.4
150L34.7Very low35Very low159 Ų159137.3 Ų137.383%0.83275%0.746SS**  trans-150.6144.9154.2-142.682.3000110.9I152L150-I152 HydrophobicContact CD2-CD1 4.49Å
151V28.5Very low34.6Very low130 Ų130133.8 Ų133.879%0.78874%0.737SS**  trans-131.1130.1179.2170.90000108.8
152I34.4Very low34.4Very low145 Ų145131.5 Ų131.574%0.74472%0.718SS**  trans-141.1122.4166.2-58.3-178.1000108.9L150L150-I152 HydrophobicContact CD2-CD1 4.49Å
153Q33.9Very low34.1Very low167 Ų167128.3 Ų128.378%0.7871%0.705SS**  trans-101.3163.2152.7-71.5-174.2-5.800108.3
154P36.4Very low33.3Very low125 Ų125131 Ų13181%0.81271%0.71SS**  -138.6166.7115.537.9-27.8000114.4
155S32.2Very low33.3Very low93 Ų93127.8 Ų127.865%0.6570%0.704SS**  trans-97.6153.7171-54.60000111.1
156D34.9Very low32.9Very low158 Ų158125.5 Ų125.585%0.84570%0.698SS**  trans-169.2114.8144-90.3-33.1000106.4
157V32.2Very low32.8Very low108 Ų108127 Ų12766%0.65570%0.699SS**  68.4101.669.6-178.50000112.8
158F31.8Very low32.6Very low197 Ų197125.8 Ų125.886%0.86470%0.697SS**  -166.4153.4113.8-116.5-78.1000113.5
159Q31.9Very low32.4Very low165 Ų165121.7 Ų121.777%0.77169%0.686SS**  trans-77.9166.9169-90.6161-68.500110.8
160S33.2Very low32.2Very low88 Ų88127.2 Ų127.262%0.61569%0.69SS**  cis-140.3175.740.2-630000116
161T30.1Very low32.1Very low81 Ų81131.2 Ų131.250%0.49769%0.694SS.*  trans-61-171-179.733.80000113.5
162E32.7Very low32.3Very low47 Ų47134.9 Ų134.922%0.2269%0.694CS.*  170.6153.891.4-80.5-64.460.500108.6I688 P689 S690 S691E162-I688 HydrophobicContact CG-CB 4.32Å; E162-I688 HydrophobicContact CG-CG1 4.4Å; E162-I688 HydrophobicContact CG-CG2 4.13Å; E162-I688 VanDerWaalsContact OE2-C 3.25Å; E162-I688 WeakPolarHBondContact OE2-CG2 3.3Å; E162-P689 CarbonylContact C-O 3.54Å; E162-P689 WeakPolarHBondContact CA-O 3.39Å; E162-P689 HydrophobicContact CB-CB 4.48Å; E162-P689 VanDerWaalsContact CB-CD 3.4Å; E162-P689 HydrophobicContact CB-CG 3.74Å; E162-P689 WeakPolarHBondContact CB-O 3.25Å; E162-P689 HydrophobicContact CG-CG 4.41Å; E162-P689 WeakPolarHBondContact OE2-CA 3.4Å; E162-P689 VanDerWaalsContact OE2-N 3.09Å; E162-S690 WeakPolarHBondContact OE1-CA 3.48Å; E162-S690 WeakPolarHBondContact OE1-CB 3.43Å; E162-S690 PolarHBondContact OE1-OG 2.94Å; E162-S690 WeakPolarHBondContact OE2-CB 3.48Å; E162-S690 PolarHBondContact OE2-N 2.92Å; E162-S690 PolarHBondContact OE2-OG 3.24Å; E162-S691 PolarHBondContact OE1-N 3.28Å
163C29.5Very low32.1Very low63 Ų63132.1 Ų132.143%0.42669%0.686SS.*  trans-122.8161.8-161.9-60.70000114.7P689 S691C163-P689 PolarHBondContact N-O 3.46Å; C163-S691 VanDerWaalsContact SG-CB 3.57Å
164E28Very low32.3Very low154 Ų154135.3 Ų135.372%0.7269%0.691SS**  trans176.1170.7131.4-104.2-59.2112.100113.8
165A34.3Very low32.5Very low85 Ų85140.5 Ų140.570%0.70270%0.695SS**  trans69.194.4166.500000119.7
166D29Very low32.7Very low140 Ų140140 Ų14075%0.74968%0.681SS**  trans-60.4135.9157.2-103.3-60.9000113.1N168D166-N168 PolarHBondContact OD1-ND2 3.35Å; D166-N168 VanDerWaalsContact OD1-ND2 3.17Å
167D34.9Very low32.6Very low127 Ų127137.6 Ų137.668%0.67968%0.675SS**  trans-14675.8137-169-20.7000109.3T169D167-T169 PolarHBondContact O-N 3.16Å; D167-T169 PolarHBondContact O-OG1 3Å; D167-T169 WeakPolarHBondContact OD1-CA 3.47Å; D167-T169 WeakPolarHBondContact OD1-CB 3.29Å; D167-T169 PolarHBondContact OD1-N 3.24Å; D167-T169 PolarHBondContact OD1-OG1 3.32Å
168N30.3Very low33Very low139 Ų139143.7 Ų143.774%0.74369%0.686SS**  trans-70.573.1168-94.7-70.2000110.4D166 Y170D166-N168 PolarHBondContact OD1-ND2 3.35Å; D166-N168 VanDerWaalsContact OD1-ND2 3.17Å; N168-Y170 PolarHBondContact O-N 3.3Å
169T36.4Very low33Very low101 Ų101139.8 Ų139.862%0.6267%0.674SS**  trans-59.8109.1-167.7-370000111.5D167 R171D167-T169 PolarHBondContact O-N 3.16Å; D167-T169 PolarHBondContact O-OG1 3Å; D167-T169 WeakPolarHBondContact OD1-CA 3.47Å; D167-T169 WeakPolarHBondContact OD1-CB 3.29Å; D167-T169 PolarHBondContact OD1-N 3.24Å; D167-T169 PolarHBondContact OD1-OG1 3.32Å; T169-R171 PolarHBondContact O-N 3.17Å
170Y27.7Very low33.4Very low199 Ų199137.6 Ų137.678%0.7867%0.674SS**  trans-5594.6-179.2-110.2-100.1000111.3N168 R172N168-Y170 PolarHBondContact O-N 3.3Å; Y170-R172 HydrophobicContact CD1-CG 4.09Å; Y170-R172 PolarHBondContact O-N 3.39Å
171R32.1Very low33.4Very low244 Ų244136.6 Ų136.692%0.92166%0.659SS**  trans-71.365.2168.3-74.4-165.7175-160.5-0.1110.4T169 C173T169-R171 PolarHBondContact O-N 3.17Å; R171-C173 PolarHBondContact O-N 3.2Å
172R32.5Very low33.6Very low207 Ų207143.9 Ų143.978%0.78168%0.677SS**  trans-50.5123.2-179.7-96.3-180173.6156.3-0.9109.9Y170 R174Y170-R172 HydrophobicContact CD1-CG 4.09Å; Y170-R172 PolarHBondContact O-N 3.39Å; R172-R174 VanDerWaalsContact C-N 3.29Å; R172-R174 PolarHBondContact O-N 3.47Å
173C30.5Very low33.6Very low86 Ų86146.9 Ų146.958%0.58169%0.691SS**  trans-65.481.5177.9-79.20000112R171 R175 K176R171-C173 PolarHBondContact O-N 3.2Å; C173-R175 PolarHBondContact O-N 3.43Å; C173-K176 HydrophobicContact CB-CD 4.4Å; C173-K176 PolarHBondContact O-N 3.22Å
174R38.9Very low33.9Very low235 Ų235149 Ų14989%0.88770%0.702SS**THydrogen-bonded Turntrans-63.510.5-179.8-125.2176.7-176.4176.30.8115.1R172 K176R172-R174 VanDerWaalsContact C-N 3.29Å; R172-R174 PolarHBondContact O-N 3.47Å; R174-K176 VanDerWaalsContact C-N 3.32Å
175R39.9Very low34.1Very low234 Ų234148.9 Ų148.988%0.88370%0.699SS**THydrogen-bonded Turntrans-88.613.8171.2-58.8-169-171.8-168.65.1113.5C173C173-R175 PolarHBondContact O-N 3.43Å
176K36.2Very low34.1Very low83 Ų83152 Ų15236%0.36170%0.704SS.*SBendtrans-123.624.6-173.9-63.1176.5-179.5176.30113.4C173 R174 V961 S962 S964C173-K176 HydrophobicContact CB-CD 4.4Å; C173-K176 PolarHBondContact O-N 3.22Å; R174-K176 VanDerWaalsContact C-N 3.32Å; K176-V961 HydrophobicContact CB-CG1 4.46Å; K176-S962 WeakPolarHBondContact CD-OG 3.27Å; K176-S962 VanDerWaalsContact CE-CB 3.45Å; K176-S962 WeakPolarHBondContact CE-OG 3.49Å; K176-S964 PolarHBondContact NZ-OG 2.8Å
177C32Very low34.2Very low106 Ų106149.1 Ų149.172%0.71670%0.695SS**  trans-133.952.3-175.4-580000112.8
178R40.5Very low34.2Very low237 Ų237150.7 Ų150.789%0.89470%0.703SS**  trans-138.563166.4-88.3-165.8172.4-179.7-2.5110.7
179N32.4Very low34.2Very low115 Ų115149.6 Ų149.662%0.61571%0.707SS**  trans-159.686.4154.9-106.910.6000108K181 D959N179-K181 PolarHBondContact O-N 3.37Å; N179-D959 PolarHBondContact ND2-OD1 2.87Å
180P40.3Very low34.3Very low119 Ų119153.2 Ų153.277%0.77372%0.716SS**  trans-74111.8154.630.6-26.7000106.9R182P180-R182 PolarHBondContact O-N 3.38Å
181K34.1Very low34.8Very low67 Ų67148.2 Ų148.229%0.29172%0.716SS.*  trans-58.5124.6161.2-80.8-160.4-167.462.80107.1N179 Q183 E957 N958 D959N179-K181 PolarHBondContact O-N 3.37Å; K181-Q183 HydrophobicContact CB-CG 4.27Å; K181-Q183 HydrophobicContact CD-CG 3.99Å; K181-Q183 PolarHBondContact O-N 3.2Å; K181-Q183 VanDerWaalsContact O-N 3.17Å; K181-E957 WeakPolarHBondContact CE-O 3.47Å; K181-N958 PolarHBondContact NZ-OD1 2.88Å; K181-D959 WeakPolarHBondContact CE-OD2 3.18Å; K181-D959 IonicContact NZ-OD2 2.74Å; K181-D959 PolarHBondContact NZ-OD2 3.36Å
182R33.3Very low34.9Very low233 Ų233140.3 Ų140.388%0.87971%0.711SS**  trans-80.179.4150.2-82.7-174.2164.1-122.7-4.1107.2P180 V184P180-R182 PolarHBondContact O-N 3.38Å; R182-V184 VanDerWaalsContact C-N 3.35Å; R182-V184 PolarHBondContact O-N 3.36Å; R182-V184 VanDerWaalsContact O-N 3.13Å
183Q32.4Very low35.2Very low111 Ų111137.9 Ų137.952%0.51971%0.713SS.*  trans-62.1108.7150.6-75.9178.7-74.800105.4K181 F185K181-Q183 HydrophobicContact CB-CG 4.27Å; K181-Q183 HydrophobicContact CD-CG 3.99Å; K181-Q183 PolarHBondContact O-N 3.2Å; K181-Q183 VanDerWaalsContact O-N 3.17Å; Q183-F185 HydrophobicContact CB-CD2 4.14Å; Q183-F185 HydrophobicContact CB-CE2 4.19Å; Q183-F185 PolarHBondContact O-N 3.35Å
184V35.9Very low35.4Very low106 Ų106138.8 Ų138.864%0.64272%0.72SS**  trans-76.6106.5161.7179.40000104.6R182 D186R182-V184 VanDerWaalsContact C-N 3.35Å; R182-V184 PolarHBondContact O-N 3.36Å; R182-V184 VanDerWaalsContact O-N 3.13Å; V184-D186 PolarHBondContact O-N 3.34Å
185F33.1Very low35.7Very low153 Ų153134.6 Ų134.667%0.67172%0.715SS**  trans-80.298.7165-91.3-92.4000106.8Q183 S187Q183-F185 HydrophobicContact CB-CD2 4.14Å; Q183-F185 HydrophobicContact CB-CE2 4.19Å; Q183-F185 PolarHBondContact O-N 3.35Å; F185-S187 PolarHBondContact O-N 3.19Å
186D33.3Very low35.7Very low149 Ų149128.9 Ų128.980%0.79771%0.706SS**  trans-72.382.3165.3-65.6-53.2000107.7V184V184-D186 PolarHBondContact O-N 3.34Å
187S31.9Very low35.9Very low80 Ų80132.9 Ų132.956%0.55973%0.726SS**  trans-154.336.3-171.1-60.50000114.7F185 S189F185-S187 PolarHBondContact O-N 3.19Å; S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 3.11Å; S187-S189 VanDerWaalsContact O-N 3.11Å
188D35Very low36.2Very low160 Ų160134.6 Ų134.686%0.85673%0.729SS**  trans-82.476.2165-76.5-39000110.3H190D188-H190 PolarHBondContact O-N 3.16Å
189S31.1Very low36.3Very low116 Ų116128.2 Ų128.281%0.81172%0.715SS**  trans-83.979.2169.460.60000110.3S187 A191S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 3.11Å; S187-S189 VanDerWaalsContact O-N 3.11Å; S189-A191 PolarHBondContact O-N 3.17Å
190H38.6Very low36.7Very low178 Ų178128.3 Ų128.382%0.82472%0.72SS**  trans-79.2111.6165.8-95.8-81.4000110.1D188D188-H190 PolarHBondContact O-N 3.16Å
191A38Very low36.7Very low93 Ų93127.6 Ų127.677%0.76971%0.714SS**  trans-61.8152.5161.600000109.4S189S189-A191 PolarHBondContact O-N 3.17Å
192G34.1Very low37Very low79 Ų79131 Ų13181%0.81474%0.735SS**  trans-69.2158.7-178.500000112.8
193D38.1Very low37.4Very low155 Ų155126.1 Ų126.183%0.82973%0.731SS**  trans-122.6147.5153-145.1-17.4000107.2
194S34.9Very low37.7Very low105 Ų105128.5 Ų128.573%0.73474%0.743SS**  trans-148.891.5-166.262.20000112.7
195D44.1Very low37.9Very low147 Ų147130.5 Ų130.579%0.78675%0.749SS**  trans-130.4154.4173.3-78.8-38.8000110.5
196V41.2Very low38.3Very low114 Ų114127.1 Ų127.169%0.69175%0.745SS**  cis-172.2132.4-39.9117.50000107.3
197E38.8Very low38.6Very low167 Ų167126.8 Ų126.878%0.7874%0.742SS**  trans63.7168.8161.2-66.4-59.1151.200122.5
198D39.6Very low39Very low143 Ų143130.5 Ų130.577%0.76575%0.75SS**  trans72.5132.5172.2-81.9-2.9000120.7
199V41.9Very low38.9Very low102 Ų102128.3 Ų128.362%0.61874%0.743SS**  cis-166.9143.3-25.9980000110.7
200T40.4Very low39.2Very low117 Ų117128.1 Ų128.172%0.71874%0.737SS**  trans58.2167.5164.758.50000118.4
201T41.4Very low38.8Very low105 Ų105128.5 Ų128.564%0.64474%0.736SS**  cis-162.2162.6-26.135.40000105.2
202D39.6Very low38.9Very low137 Ų137129 Ų12973%0.73373%0.734SS**  cis-163.8-164.4-18.5-98.62.8000106
203V41.3Very low38.9Very low131 Ų131132.3 Ų132.379%0.79473%0.728SS**  trans76.2132.3164.9-169.50000116.5
204E38.9Very low39Very low162 Ų162130.8 Ų130.876%0.75772%0.72SS**  cis-175.3173.4-41.1-112.8176.4134.600107.5
205D40.1Very low38.8Very low147 Ų147134.4 Ų134.479%0.78672%0.719SS**  trans64.2138.9159.4-90.3-16.5000120.2
206S41.5Very low38.4Very low82 Ų82134.1 Ų134.157%0.57372%0.716SS**  cis-165.5171.5-14.6-139.20000111.9
207I40.6Very low37.9Very low143 Ų143134.4 Ų134.473%0.73371%0.714SS**  trans66.3132.4153.8-68.8160.8000117.4
208Q40.3Very low37.9Very low157 Ų157133.6 Ų133.673%0.73471%0.713SS**  cis-173.8145.9-25.9-126.7166.219.900109.1
209T32.6Very low37.4Very low114 Ų114131 Ų13170%0.69971%0.711SS**  trans39.6143.3143.253.70000121.9
210T37Very low36.8Very low113 Ų113130.5 Ų130.569%0.69372%0.718SS**  cis-165.9163.525.8-10.10000112.9
211K31.1Very low36.5Very low186 Ų186134.7 Ų134.781%0.80973%0.726SS**  trans-3.5150.2148.9-54.2162-176.4176.30117.8
212S38.6Very low36Very low104 Ų104135.3 Ų135.373%0.72773%0.729SS**  cis-158.2-175.236.2-39.90000109.8
213Q35.5Very low36Very low148 Ų148134.2 Ų134.269%0.69273%0.73SS**  cis-156.3-164.22.7-143.3-6.578.900109.6
214D38.9Very low35.4Very low123 Ų123139 Ų13966%0.65873%0.734SS**  trans22.4119.6155.8-50.4-30.7000118.6
215Y31.4Very low35.2Very low180 Ų180138.2 Ų138.271%0.70673%0.733SS**  cis63.692.322.4-162.6-96.8000117.3D217Y215-D217 VanDerWaalsContact CE2-OD2 3.28Å; Y215-D217 WeakPolarHBondContact CE2-OD2 3.48Å; Y215-D217 VanDerWaalsContact CZ-OD2 3.29Å; Y215-D217 PolarHBondContact OH-OD2 3.19Å
216I36.6Very low34.9Very low141 Ų141138.2 Ų138.272%0.72373%0.733SS**  trans-139.6110.3151.4-66.1-173.4000109.4I218I216-I218 HydrophobicContact CG2-CD1 3.78Å; I216-I218 HydrophobicContact CG2-CG1 3.66Å
217D30.8Very low34.6Very low121 Ų121139.6 Ų139.665%0.64774%0.74SS**  trans-79.7121.5158-90.6-57.8000109.6Y215Y215-D217 VanDerWaalsContact CE2-OD2 3.28Å; Y215-D217 WeakPolarHBondContact CE2-OD2 3.48Å; Y215-D217 VanDerWaalsContact CZ-OD2 3.29Å; Y215-D217 PolarHBondContact OH-OD2 3.19Å
218I37Very low34.1Very low150 Ų150141 Ų14177%0.76974%0.744SS**  trans-131.4112.5162.6-71.1176.5000110.6I216I216-I218 HydrophobicContact CG2-CD1 3.78Å; I216-I218 HydrophobicContact CG2-CG1 3.66Å
219A29.6Very low33.7Very low88 Ų88140 Ų14073%0.72775%0.748SS**  trans-82.4160.3168.500000112.2
220A29.1Very low33.3Very low91 Ų91142 Ų14275%0.75275%0.753SS**  trans53.8103.5154.600000119
221K34.3Very low33.1Very low205 Ų205143 Ų14389%0.89176%0.758SS**  trans-142.8119.5135-134.873170.1-168.80112.8
222V31.8Very low32.9Very low118 Ų118139.4 Ų139.472%0.71575%0.752SS**  trans-84.8122.8160.7167.50000107.7R224V222-R224 HydrophobicContact CG1-CB 4.39Å; V222-R224 HydrophobicContact CG1-CG 4Å; V222-R224 PolarHBondContact O-N 2.79Å
223P39.6Very low32.5Very low115 Ų115140.9 Ų140.975%0.74776%0.756SS**  trans-85.482.5165.433.1-30.5000109.5I225P223-I225 PolarHBondContact O-N 3.39Å
224R27.8Very low32.2Very low231 Ų231138 Ų13887%0.87275%0.753SS**  trans-80.9107.5157.5-92.6-174.5177.6169.8-1.4107V222V222-R224 HydrophobicContact CG1-CB 4.39Å; V222-R224 HydrophobicContact CG1-CG 4Å; V222-R224 PolarHBondContact O-N 2.79Å
225I36Very low31.8Very low146 Ų146138.6 Ų138.675%0.74976%0.756SS**  trans-13184.8168.6-55.3-178.1000107.7P223P223-I225 PolarHBondContact O-N 3.39Å
226D32.2Very low32.1Very low147 Ų147135.7 Ų135.779%0.78676%0.762SS**  trans-59143.2136.6-97.5-57.9000107.2
227P35.9Very low32Very low110 Ų110134 Ų13471%0.71476%0.761SS**  -142.9170.169.841.1-25.7000116.6
228Q30.2Very low32.2Very low174 Ų174135 Ų13581%0.81377%0.765SS**  trans-51.9137.7153.9-58.5161.1-18.300111
229V30.9Very low32.3Very low135 Ų135135 Ų13582%0.81876%0.759SS**  179.5149.5128.2144.90000110.4
230I26.1Very low32.6Very low156 Ų156137.1 Ų137.180%0.876%0.755SS**  trans-74.9125.4-179-59.7151.9000111
231V31Very low33.1Very low134 Ų134139.7 Ų139.781%0.81275%0.754SS**  trans-143.3134.5154.1-173.70000109.2
232T26.7Very low33.3Very low111 Ų111135.5 Ų135.568%0.68175%0.748SS**  trans-96.3-168.9175.747.20000111.1
233V30.2Very low33.3Very low134 Ų134134.3 Ų134.381%0.81275%0.745SS**  trans78133.8172-176.20000113.9
234S29.4Very low33.2Very low88 Ų88135.1 Ų135.162%0.61575%0.747SS**  cis-164.4163.9-16.5-114.30000112.7
235D31.7Very low33.3Very low136 Ų136129.4 Ų129.473%0.72774%0.738SS**  trans37.7121.3140.7-55.4-56.7000122.7
236S37.3Very low33.3Very low119 Ų119128.7 Ų128.783%0.83274%0.741SS**  trans-172151.2130.4-86.10000112
237C34.2Very low33.4Very low104 Ų104126 Ų12670%0.70373%0.733SS**  cis173.6134-24.3-107.40000106.8
238I36.1Very low33.4Very low143 Ų143127.7 Ų127.773%0.73374%0.736SS**  cis-153.2-164.5-10.8-14.174.1000107.8
239K38.1Very low33.9Very low149 Ų149125.3 Ų125.365%0.64873%0.734SS**  trans96.9134.1156.9-56.1-172.8160.1-77.40117.9
240E36.8Very low34Very low134 Ų134125.5 Ų125.563%0.62673%0.73SS**  cis-159.3123.7-16.7-117.1145.4-151.600105.7
241I38.8Very low34.5Very low144 Ų144124.5 Ų124.574%0.73873%0.725SS**  78.1134.574.2-77.2172.8000113.2
242P38.8Very low34.8Very low117 Ų117124.1 Ų124.176%0.7672%0.719SS**  cis-145-170.2-15.440.9-19.6000117.7
243S32.1Very low34.9Very low93 Ų93126.5 Ų126.565%0.6572%0.724SS**  trans-57.6155.817654.70000121.9
244V36.3Very low35.1Very low132 Ų132125.5 Ų125.580%0.872%0.718SS**  trans-152.9117.8135.3179.50000106.2
245T30.4Very low35Very low111 Ų111126.7 Ų126.768%0.68173%0.726SS**  cis70.89046.367.20000117.7
246T37.1Very low35.1Very low132 Ų132127.8 Ų127.881%0.8173%0.731SS**  trans170.4125149.535.70000107.1
247S34.1Very low34.6Very low89 Ų89126.8 Ų126.862%0.62272%0.723SS**  cis102.7139.434.368.70000112.6
248N35Very low34.4Very low146 Ų146129.7 Ų129.778%0.78173%0.731SS**  trans72.3151170.6-55.2-6.1000114.4
249T40.8Very low34Very low125 Ų125127.2 Ų127.277%0.76773%0.727SS**  cis-167159.4-4.519.40000104.8
250D33.2Very low33.8Very low138 Ų138125.3 Ų125.374%0.73873%0.732SS**  cis158.1-174.5-0.1-175.19.3000104.6
251I37.4Very low33.6Very low135 Ų135123.3 Ų123.369%0.69273%0.733SS**  trans80.8111160.4-57.1168000118.6
252D35.6Very low33.4Very low126 Ų126123 Ų12367%0.67473%0.732SS**  trans50.1134.1142.8-57-22.7000123
253M29Very low33.4Very low162 Ų162124.6 Ų124.680%0.79873%0.729SS**  cis90.7157.932.6-154.4-141.1-55.500114
254V34Very low33.4Very low113 Ų113126.8 Ų126.869%0.68573%0.733SS**  trans86.4109.4174.4-170.90000116.8I256V254-I256 HydrophobicContact CG1-CD1 4.24Å
255S28.2Very low33.3Very low113 Ų113127 Ų12779%0.7973%0.734SS**  trans-80.8146.9162.4410000111.5
256I34.4Very low33.4Very low159 Ų159129.2 Ų129.282%0.81574%0.737SS**  trans-149.8143165.7-102150000109.7V254V254-I256 HydrophobicContact CG1-CD1 4.24Å
257S26.2Very low33.5Very low97 Ų97128.5 Ų128.568%0.67873%0.734SS**  trans-96.4-178.3176.3-55.60000111
258L29.4Very low33.5Very low166 Ų166128.4 Ų128.487%0.86973%0.734SS**  trans72.3153.5171.6-53.7119.2000114.5
259S29.2Very low33.8Very low91 Ų91127 Ų12764%0.63673%0.733SS**  cis-168.8-177.8-24.358.20000108.8
260S33.5Very low33.7Very low108 Ų108126.1 Ų126.176%0.75573%0.731SS**  trans74.5147.4163.5-44.10000115.3
261S32.6Very low33.8Very low93 Ų93126.1 Ų126.165%0.6573%0.73SS**  cis-171.8147.4-16.644.80000106.8
262L34.5Very low33.6Very low138 Ų138126.6 Ų126.672%0.72373%0.733SS**  176.4149.784.6-84.7155.9000110
263H38.2Very low33.5Very low149 Ų149125.4 Ų125.469%0.6974%0.735SS**  trans58.9112.2156-59.6-43.2000119.8
264D32.6Very low34Very low139 Ų139123.2 Ų123.274%0.74374%0.735SS**  79.5133.674.2-69.4-51.4000112.2
265V35.2Very low34.1Very low136 Ų136122.8 Ų122.882%0.82474%0.737SS**  cis-145.3150.831.1171.20000112.4
266H32.1Very low34.7Very low159 Ų159122.2 Ų122.274%0.73673%0.731SS**  trans-104.3157.7168-138.6-122.7000109
267P39Very low34.8Very low116 Ų116120.8 Ų120.875%0.75373%0.73SS**  -156.8170.151.143.5-21.7000120.1
268S34Very low35.2Very low88 Ų88120.3 Ų120.362%0.61573%0.732SS**  trans-81172.4159.6-39.50000111.9
269P41.6Very low35.4Very low117 Ų117117 Ų11776%0.7673%0.728SS**  -159.7167.792.342-22.9000118.9
270S39.1Very low35.6Very low105 Ų105117.6 Ų117.673%0.73473%0.733SS**  trans72.3148.7139.1-78.10000121.6
271I34.2Very low35.5Very low139 Ų139119.1 Ų119.171%0.71374%0.737SS**  cis-164.2155.5-6.7-125.8167.5000112.7
272L33.3Very low35.3Very low144 Ų144118.1 Ų118.175%0.75473%0.73SS**  trans51.4119.2159.8-67.7172.5000120.7
273S34.3Very low35.1Very low102 Ų102119.8 Ų119.871%0.71373%0.732SS**  85.1144.376.589.30000114.8
274S37.7Very low34.8Very low115 Ų115118.5 Ų118.580%0.80473%0.734SS**  cis-152164.17.557.60000112.8
275S36.7Very low34.8Very low104 Ų104116.8 Ų116.873%0.72773%0.731SS**  trans-91.5-166.1171.970.20000110.6
276P40.6Very low34.4Very low101 Ų101117.9 Ų117.966%0.65673%0.729SS**  cis-148.3160.535.148.7-28.7000119.3
277T36.2Very low34.2Very low129 Ų129116.1 Ų116.179%0.79173%0.725SS**  48.4154.5129.963.40000124.5
278A35.2Very low33.7Very low88 Ų88120.2 Ų120.273%0.72773%0.727SS**  cis-177.1175.4-17.900000111.6
279A33.9Very low33.5Very low95 Ų95120.2 Ų120.279%0.78573%0.727SS**  trans69.8150.2165.100000116.8
280S32.7Very low32.9Very low105 Ų105121 Ų12173%0.73473%0.729SS**  cis-136.3142.83.6-60.90000108.4
281V31.2Very low32.6Very low139 Ų139122.8 Ų122.884%0.84274%0.736SS**  52.2119.370.6-176.40000111.6
282S29.5Very low32.4Very low72 Ų72123.2 Ų123.250%0.50374%0.74SS.*  cis-142.1-1733.462.40000110.1
283F29.2Very low32.4Very low173 Ų173125.7 Ų125.776%0.75974%0.739SS**  cis-153-156.814.1-132-42.2000111
284V33.2Very low32.2Very low122 Ų122129.4 Ų129.474%0.73974%0.739SS**  trans-155.2156.8-160.6125.40000111.2
285P32Very low32Very low103 Ų103131.2 Ų131.267%0.66974%0.738SS**  cis-127.3-164.1-26.844.2-26.9000110.3
286M27.8Very low31.8Very low160 Ų160131.9 Ų131.979%0.78874%0.743SS**  cis68.479.922.8-96-62.2-166.800118.8
287N27.1Very low31.5Very low122 Ų122133 Ų13365%0.65275%0.75SS**  trans62.1168.3130-1536.2000119.8
288Y27.3Very low31.3Very low201 Ų201135.5 Ų135.579%0.78875%0.753SS**  trans60.7167.3-178.9-65.1-95.5000115.5
289S30.7Very low31.2Very low89 Ų89137.3 Ų137.362%0.62276%0.755SS**  cis-161.8149.4-49.8-97.40000108.1
290T29Very low31.2Very low132 Ų132138.5 Ų138.581%0.8175%0.752SS**  trans17.199.5157.7-46.90000118.7
291V33.2Very low31Very low144 Ų144137.9 Ų137.987%0.87375%0.748SS**  trans-125.8122.5145.2-177.70000108
292N29.8Very low31.2Very low148 Ų148136 Ų13679%0.79174%0.741SS**  trans-131.3118.2-176.2-174.722000108.6
293R32.4Very low31.6Very low195 Ų195139.7 Ų139.774%0.73676%0.755SS**  trans166.6141.7-179.5-97169.2-172.1-150.32.5106.1
294Y31Very low31.8Very low181 Ų181137.7 Ų137.771%0.7176%0.757SS**  cis-142.1-177.6-11.7-83.6-68.2000105.4
295L33.9Very low31.6Very low153 Ų153137.5 Ų137.580%0.80176%0.761SS**  cis-130157.43.5-72.276.2000109.5
296S32.7Very low31.8Very low117 Ų117137.5 Ų137.582%0.81877%0.77SS**  trans-147.7129.5149.3-71.50000107.1
297P32.5Very low32.1Very low124 Ų124137.5 Ų137.581%0.80577%0.772SS**  trans-82.9131.3-172.231.5-33.6000111.8
298Q33.3Very low32.3Very low182 Ų182137 Ų13785%0.8577%0.773SS**  trans-131.8144149.7-77.1-164.4-600108.4
299V32.5Very low32.5Very low127 Ų127134 Ų13477%0.7777%0.77SS**  trans-121.2131.7-1751730000108.6
300T33.9Very low32.6Very low120 Ų120135.4 Ų135.474%0.73677%0.771SS**  trans-152.987.6162.79.40000111.2
301S29.3Very low32.9Very low91 Ų91136.1 Ų136.164%0.63677%0.765SS**  trans37.8101.5141.1176.50000120.5
302S35.6Very low32.8Very low101 Ų101136.3 Ų136.371%0.70676%0.761SS**  -162.7154.9126.644.10000111.1
303D37.1Very low33Very low149 Ų149134.5 Ų134.580%0.79776%0.759SS**  trans51.585.4167.2-50.9-17.7000117
304V33Very low33.3Very low131 Ų131131.3 Ų131.379%0.79477%0.767SS**  81.8101.465.1-179.30000114.6
305S30.1Very low33.3Very low118 Ų118126.3 Ų126.383%0.82577%0.77SS**  trans52.9106.4145.3-57.20000122.4
306A36.4Very low33.4Very low103 Ų103125.6 Ų125.685%0.85177%0.772SS**  trans-152.1149.3138.300000111.9
307L33.3Very low33.3Very low160 Ų160129.5 Ų129.584%0.83878%0.775SS**  trans-25.4134.8178.3-97.942.5000117.3
308V32.1Very low33.2Very low110 Ų110134.6 Ų134.667%0.66778%0.78SS**  cis77.4127.343177.80000114.1
309N31.3Very low33.2Very low138 Ų138130.8 Ų130.874%0.73878%0.779SS**  trans69.3147.7171.3-67-14.3000116.3
310N32.5Very low32.9Very low120 Ų120132.8 Ų132.864%0.64278%0.783SS**  cis-163.5165.20.6-133.6-30.9000112.3
311Q34.8Very low32.9Very low146 Ų146133 Ų13368%0.68279%0.79SS**  trans51.2130164.8-46.5-58.1-7.100119
312L32.3Very low32.9Very low149 Ų149132.9 Ų132.978%0.7879%0.794SS**  cis79.8110.233.6-16974.2000115.7
313S33.2Very low32.9Very low109 Ų109137.6 Ų137.676%0.76280%0.802SS**  trans-176.1145.2139.6-88.50000114.7
314S37.8Very low33Very low129 Ų129136.3 Ų136.390%0.90281%0.805SS**  trans65.3144.717176.60000118.8
315G32.6Very low33Very low75 Ų75138.3 Ų138.377%0.77381%0.81SS**  cis164.968.7-1100000117.5
316T35.6Very low33.2Very low138 Ų138136.2 Ų136.285%0.84781%0.807SS**  trans-138.8127.4171.5-35.70000111.9
317K31.3Very low33.1Very low200 Ų200139.5 Ų139.587%0.8781%0.81SS**  trans-112.6133.9176.3-70.4178.8177.9176.20110.8
318Y30.4Very low33.2Very low231 Ų231134.8 Ų134.891%0.90680%0.8SS**  trans-138147150.6-88.2-75.4000109.8
319A31.9Very low33.5Very low101 Ų101137.8 Ų137.884%0.83581%0.812SS**  trans-94.4149.8-15600000114.8
320I26.6Very low33.8Very low169 Ų169138.8 Ų138.887%0.86782%0.816SS**  trans-103.3130.3165.7-61.8172.2000107.4
321S33.6Very low33.9Very low124 Ų124136 Ų13687%0.86782%0.815SS**  trans-108.3126.5171.2-173.20000109.3
322A29.5Very low34.1Very low89 Ų89137 Ų13774%0.73683%0.825SS**  trans-99.3149.3-172.100000112.6
323K35.4Very low34.3Very low201 Ų201137.6 Ų137.687%0.87483%0.828SS**  trans-161.4147154.6-116.4162.9-173.8176.10112.5
324S39.5Very low34.3Very low121 Ų121138.3 Ų138.385%0.84683%0.832SS**  trans57.7108.417439.10000117.1
325L33Very low34Very low174 Ų174135.6 Ų135.691%0.91183%0.825SS**  trans-88.1158.1171.7-73.4157.5000111.8
326G33.8Very low34Very low74 Ų74139.5 Ų139.576%0.76383%0.826SS**  trans-165.3107.5165.700000109.3
327L34.3Very low33.9Very low172 Ų172138.9 Ų138.990%0.90182%0.817SS**  trans-79.6147.6-171.8-74.773.6000111.8
328G35.5Very low34.1Very low61 Ų61135.5 Ų135.563%0.62982%0.815SS**  trans175.3-74.2174.800000113.3I330G328-I330 PolarHBondContact O-N 2.86Å; G328-I330 VanDerWaalsContact O-N 3.14Å
329D38.5Very low34Very low172 Ų172131 Ų13192%0.9281%0.806SS**THydrogen-bonded Turntrans-94.140.9-155.4-56.2-33.3000115.6
330I37.3Very low33.9Very low159 Ų159134.1 Ų134.182%0.81581%0.808SS**THydrogen-bonded Turntrans-115.3-8.3179.3-70.1177.8000113.4G328 D332G328-I330 PolarHBondContact O-N 2.86Å; G328-I330 VanDerWaalsContact O-N 3.14Å; I330-D332 PolarHBondContact O-N 3.2Å
331G35.3Very low34.2Very low61 Ų61130.4 Ų130.463%0.62980%0.802SS**G310 helixtrans-64.5-37.6178.900000115.1L333G331-L333 VanDerWaalsContact C-N 3.26Å; G331-L333 PolarHBondContact O-N 3.33Å; G331-L333 VanDerWaalsContact O-N 3.11Å
332D39.7Very low34Very low167 Ų167130.3 Ų130.389%0.89379%0.792SS**G310 helixtrans-8011.3-167.8-75.4-7.7000115.5I330I330-D332 PolarHBondContact O-N 3.2Å
333L35.6Very low34.1Very low162 Ų162134.4 Ų134.485%0.84880%0.8SS**G310 helixtrans-131.813.3-175.1-137.878.4000116.9G331G331-L333 VanDerWaalsContact C-N 3.26Å; G331-L333 PolarHBondContact O-N 3.33Å; G331-L333 VanDerWaalsContact O-N 3.11Å
334C33Very low33.9Very low125 Ų125128.5 Ų128.585%0.84580%0.796SS**  trans-148.442.4165.6-98.60000113.5I336C334-I336 PolarHBondContact O-N 3.09Å
335G31.3Very low33.5Very low72 Ų72132.3 Ų132.374%0.74280%0.798SS**  trans-76.578.5176.100000114.4
336I33.2Very low33.4Very low157 Ų157130.3 Ų130.381%0.80579%0.793SS**  trans55.3115.2148.1-59.6170.1000118.1C334C334-I336 PolarHBondContact O-N 3.09Å
337L33.3Very low33.1Very low124 Ų124134.4 Ų134.465%0.64980%0.797SS**  trans-62149.1163.1-74.163.1000111.1I339L337-I339 HydrophobicContact CB-CD1 4.49Å; L337-I339 HydrophobicContact CB-CG1 3.87Å; L337-I339 HydrophobicContact CD2-CD1 4.27Å; L337-I339 HydrophobicContact CD2-CG1 4.08Å; L337-I339 PolarHBondContact O-N 3.12Å
338P35.8Very low32.9Very low129 Ų129134.1 Ų134.184%0.83879%0.794SS**  trans-72.971159.333.1-34.5000110.6N340P338-N340 PolarHBondContact O-N 3.36Å
339I28.8Very low32.5Very low138 Ų138137 Ų13771%0.70881%0.805SS**  trans-72.583.9163-59.9176000107L337L337-I339 HydrophobicContact CB-CD1 4.49Å; L337-I339 HydrophobicContact CB-CG1 3.87Å; L337-I339 HydrophobicContact CD2-CD1 4.27Å; L337-I339 HydrophobicContact CD2-CG1 4.08Å; L337-I339 PolarHBondContact O-N 3.12Å
340N28.2Very low32.1Very low165 Ų165131.7 Ų131.788%0.88279%0.791SS**SBendtrans-168.841.2164.1-102.7-16.3000112.8P338P338-N340 PolarHBondContact O-N 3.36Å
341A33.6Very low31.7Very low91 Ų91130.9 Ų130.975%0.75279%0.788SS**SBendtrans-159.231.217600000117.1
342L29.5Very low31.4Very low122 Ų122134.2 Ų134.264%0.63979%0.791SS**SBendtrans-16592.6170.5-114.9165.5000114.1
343L30.8Very low31.2Very low175 Ų175132.2 Ų132.292%0.91679%0.785SS**  trans148.4132.1152.7-84.6161.4000109.7
344G31.2Very low30.8Very low77 Ų77132.3 Ų132.379%0.79479%0.787SS**  trans147.736.4-175.100000115.6
345K31.9Very low30.7Very low202 Ų202129.6 Ų129.688%0.87878%0.779SS**  trans-10496.6173.9-81.1-171.7176.6-178.90111.3
346T31.8Very low30.6Very low131 Ų131131.7 Ų131.780%0.80478%0.783SS**  trans-141.8106.2157.635.80000106
347L27.4Very low30.5Very low161 Ų161130.1 Ų130.184%0.84379%0.786SS**  51.89569-70176.3000113.1
348I30.2Very low30.5Very low166 Ų166133.8 Ų133.885%0.85180%0.796SS**  trans172103151.8-87.4149.5000101.7
349S26.4Very low30.4Very low122 Ų122135.6 Ų135.685%0.85380%0.798SS**  cis69.311347.2-1620000112.7
350G29.3Very low30.2Very low60 Ų60135.5 Ų135.562%0.61980%0.799SS**  trans144.4108.817400000113.7
351N30.3Very low30.1Very low142 Ų142137 Ų13776%0.75980%0.798SS**  trans45.5116.2140.2-61.774.7000119.2
352D27.6Very low29.8Very low130 Ų130137 Ų13770%0.69580%0.798SS**  88.4153.868.6-71.3-40.6000113.3
353T35.4Very low29.8Very low125 Ų125137.2 Ų137.277%0.76780%0.799SS**  trans68.4117.8-179.167.10000114.4
354N26.9Very low29.7Very low165 Ų165137.1 Ų137.188%0.88280%0.8SS**  70.6121.165.9-64.9-24.3000112.8
355G32.4Very low29.5Very low67 Ų67140.2 Ų140.269%0.69180%0.797SS**  trans123.466.3-169.300000110.9
356S27.8Very low29.5Very low117 Ų117133.6 Ų133.682%0.81879%0.786SS**  73.7148.178.5-58.90000114.1
357S31.2Very low29.5Very low123 Ų123134.2 Ų134.286%0.8679%0.79SS**  trans68.760.5167.6-52.60000117.8
358K33.6Very low29.6Very low201 Ų201130.3 Ų130.387%0.87478%0.78SS**  trans-115.1113.6145.6-79.8-172.7174.9-179.80109.5L360K358-L360 PolarHBondContact O-N 2.85Å
359L33Very low29.7Very low168 Ų168129.1 Ų129.188%0.8878%0.78SS**  trans-61.9120.4176.8-63.3156.4000107.9
360L26.4Very low30Very low136 Ų136128.6 Ų128.671%0.71278%0.776SS**  67.896.352.8-61.6-179.8000113.9K358K358-L360 PolarHBondContact O-N 2.85Å
361F24.4Very low30.3Very low197 Ų197131 Ų13186%0.86478%0.78SS**  trans14.7115.2146.6-50.8-85.8000119.3
362A28.5Very low30.3Very low91 Ų91130.2 Ų130.275%0.75279%0.786SS**  trans-159.8145140.500000108.8
363N29.4Very low30.6Very low125 Ų125126.7 Ų126.767%0.66878%0.781SS**  cis-154.4140.3-20-111.2-21000107.9
364N27.5Very low30.5Very low173 Ų173126.1 Ų126.193%0.92578%0.782SS**  trans-121.164.7159.5-157.98.5000108.2
365I27.7Very low30.7Very low143 Ų143126.2 Ų126.273%0.73378%0.777SS**  trans-134.6112.9179.9-60.2179.9000106.7
366G31.8Very low30.7Very low63 Ų63130.9 Ų130.965%0.64978%0.783SS**  trans-164.880.6-176.900000112.1
367T31.1Very low31Very low144 Ų144130.3 Ų130.388%0.88377%0.774SS**  trans50143.714754.60000121.2
368A30.6Very low31Very low79 Ų79131.4 Ų131.465%0.65377%0.77SS**  cis-178.3168.2-14.600000107.8
369V31.8Very low31.3Very low140 Ų140127.1 Ų127.185%0.84876%0.763SS**  trans68.9142.4155.7164.50000115
370C33.2Very low31.4Very low112 Ų112125.1 Ų125.176%0.75776%0.763SS**  cis-136.3-161.66.6-1430000111.8
371P35.4Very low31.6Very low110 Ų110122.1 Ų122.171%0.71477%0.765SS**  -93.8163-128.141-31.1000115.7
372S29.8Very low31.8Very low125 Ų125122.2 Ų122.287%0.87477%0.765SS**  trans-129.3105.4146-680000108.2
373G33.7Very low31.9Very low57 Ų57122.7 Ų122.759%0.58876%0.759SS**  trans-63.8139.3165.600000109.6
374S34.7Very low32Very low113 Ų113125.1 Ų125.179%0.7977%0.767SS**  63.7116.767.379.30000110.7
375E31.2Very low32Very low167 Ų167125 Ų12578%0.7876%0.76SS**  cis-148.4152.424.3-69.7-175.5104.500114
376M32.8Very low31.8Very low165 Ų165126.3 Ų126.381%0.81377%0.766SS**  trans64.5139.6144.4-70.5175.386.200119.9
377V33.2Very low31.6Very low105 Ų105127 Ų12764%0.63676%0.757SS**  cis-156.4160.2-0.894.10000112.7
378N32.1Very low31.4Very low145 Ų145129.8 Ų129.878%0.77576%0.76SS**  trans72.7146.7170.1-71.1-13.5000118.7
379P38.2Very low31.2Very low111 Ų111128.1 Ų128.172%0.72174%0.743SS**  -133.5170-129.140.9-24.9000117.7
380S35.2Very low30.9Very low126 Ų126128 Ų12888%0.88174%0.736SS**  trans69.9138.5172.976.20000116.6
381G31.6Very low30.6Very low74 Ų74127.8 Ų127.876%0.76374%0.737SS**  cis-178.3123.1-5.200000112.3T383G381-T383 PolarHBondContact O-N 3.33Å
382F28.8Very low30.2Very low198 Ų198127.5 Ų127.587%0.86874%0.737SS**  trans-24.9115-177.5-97.2-126.4000119.2
383T30Very low30.1Very low102 Ų102126.8 Ų126.863%0.62673%0.732SS**  46.1120.7115.463.10000121.3G381G381-T383 PolarHBondContact O-N 3.33Å
384Q32.1Very low29.7Very low175 Ų175129.8 Ų129.882%0.81874%0.744SS**  46.591.3116.5-163.5-168.989.500118.2
385Q27.4Very low29.4Very low170 Ų170130.1 Ų130.179%0.79475%0.745SS**  -170.8171.8109-99.7-171.423.500111.5
386M23.5Very low29.3Very low172 Ų172127.8 Ų127.885%0.84774%0.742SS**SBendtrans53.673.7164.6-156.5-176.9-59.300117.9
387T27.6Very low29Very low76 Ų76127.2 Ų127.247%0.46674%0.743SS.*  trans-177.6103.3130.524.10000111.2K572T387-K572 VanDerWaalsContact CB-NZ 3.3Å; T387-K572 HydrophobicContact CG2-CD 4.44Å; T387-K572 WeakPolarHBondContact O-CE 3.35Å; T387-K572 PolarHBondContact O-NZ 2.9Å; T387-K572 PolarHBondContact OG1-NZ 3.19Å
388Q27.6Very low28.9Very low203 Ų203127.6 Ų127.695%0.94974%0.737SS**  trans-108.1120.7150.6-80.2-175.8-18.600107.2
389C24.4Very low28.7Very low44 Ų44128 Ų12830%0.29774%0.74SS.*  trans-140145-179.1-58.70000109.2
390I25.5Very low28.3Very low137 Ų137129 Ų12970%0.70374%0.738SS**  trans82.5129.6160.9-58.4149.2000116.3
391S27.7Very low28.1Very low109 Ų109132 Ų13276%0.76274%0.74SS**  trans73.7129172.5-59.30000118.5
392S27Very low28.1Very low103 Ų103134.7 Ų134.772%0.7274%0.737SS**  cis-169.3152.1-11.539.80000111.6
393S28.7Very low28.6Very low110 Ų110129.4 Ų129.477%0.76972%0.718SS**  trans52.7111.7163.952.20000118.1
394S25.4Very low29.3Very low120 Ų120129 Ų12984%0.83972%0.719SS**  77.992.752.1-173.10000115.4
395C27.6Very low29.4Very low120 Ų120126.3 Ų126.381%0.81171%0.71SS**  trans-142.9145.9143.561.10000109.3
396T28.6Very low30.2Very low118 Ų118121.7 Ų121.772%0.72469%0.69SS**  trans-90.5121-16849.50000112.6Q398T396-Q398 PolarHBondContact O-N 3.33Å
397N27.5Very low31Very low154 Ų154116.5 Ų116.582%0.82468%0.675SS**  trans-70.288.5168.7-77.3-36.7000110.9N399N397-N399 PolarHBondContact O-N 2.68Å
398Q30Very low31.6Very low112 Ų112115.7 Ų115.752%0.52368%0.676SS.*  trans-70.496.6164.3-73.6-167.7-12.700109.2T396 L400 T522T396-Q398 PolarHBondContact O-N 3.33Å; Q398-L400 PolarHBondContact O-N 3.3Å; Q398-T522 PolarHBondContact NE2-OG1 3.34Å
399N29.1Very low32.1Very low155 Ų155107.6 Ų107.683%0.82964%0.644SS**  trans-66.283.7166.3-86.4-47.8000109.7N397 M401N397-N399 PolarHBondContact O-N 2.68Å; N399-M401 PolarHBondContact O-N 2.81Å
400L29.3Very low33Very low131 Ų131109.2 Ų109.269%0.68665%0.652SS**  trans-62.3101166.4-84.7141.9000108.4Q398 L402Q398-L400 PolarHBondContact O-N 3.3Å; L400-L402 VanDerWaalsContact C-N 3.3Å; L400-L402 PolarHBondContact O-N 3.29Å
401M29.8Very low33.7Very low188 Ų188105.1 Ų105.193%0.92664%0.639SS**  trans-61.393.3169.4-72.9-172.872.200109.3N399 N403N399-M401 PolarHBondContact O-N 2.81Å; M401-N403 PolarHBondContact O-N 2.83Å
402L33.3Very low34.3Very low131 Ų131102.2 Ų102.269%0.68662%0.621SS**  trans-60.9129.7169.4-71172.3000108.4L400 S404 L406L400-L402 VanDerWaalsContact C-N 3.3Å; L400-L402 PolarHBondContact O-N 3.29Å; L402-S404 PolarHBondContact O-N 3.35Å; L402-L406 HydrophobicContact CD2-CD2 4.15Å
403N38.4Very low34.9Very low88 Ų88100.5 Ų100.547%0.47161%0.613SS.*  trans-51130.9-176.8-177.8-22000110.5M401 N405 L406 A407M401-N403 PolarHBondContact O-N 2.83Å; N403-N405 PolarHBondContact O-N 3.03Å; N403-N405 WeakPolarHBondContact OD1-CB 3.26Å; N403-N405 PolarHBondContact OD1-N 3.15Å; N403-L406 WeakPolarHBondContact O-CA 3.25Å; N403-L406 VanDerWaalsContact O-CB 3.32Å; N403-L406 WeakPolarHBondContact O-CB 3.28Å; N403-L406 PolarHBondContact O-N 3.06Å; N403-A407 PolarHBondContact O-N 2.9Å
404S45.2Very low35.5Very low93 Ų93100.6 Ų100.665%0.6560%0.604SS**Hα-helixtrans-53.1-29.2178.5-500000112.8L402 L406 A407 A408L402-S404 PolarHBondContact O-N 3.35Å; S404-L406 VanDerWaalsContact C-N 3.31Å; S404-L406 PolarHBondContact O-N 3.03Å; S404-A407 PolarHBondContact O-N 2.79Å; S404-A408 WeakPolarHBondContact O-CB 3.44Å; S404-A408 PolarHBondContact O-N 3.12Å
405N34.3Very low36.2Very low119 Ų11999.1 Ų99.164%0.63659%0.594SS**Hα-helixtrans-67.9-27.9175.3-60.3-6.3000112.8N403 A409N403-N405 PolarHBondContact O-N 3.03Å; N403-N405 WeakPolarHBondContact OD1-CB 3.26Å; N403-N405 PolarHBondContact OD1-N 3.15Å; N405-A409 VanDerWaalsContact O-CB 3.25Å; N405-A409 WeakPolarHBondContact O-CB 3.26Å; N405-A409 PolarHBondContact O-N 3.38Å
406L43.4Very low36.5Very low72 Ų72100.1 Ų100.138%0.37759%0.591SS.*Hα-helixtrans-76.7-41.8173.9-170.871.6000111L402 N403 S404 A408 A409 V410L402-L406 HydrophobicContact CD2-CD2 4.15Å; N403-L406 WeakPolarHBondContact O-CA 3.25Å; N403-L406 VanDerWaalsContact O-CB 3.32Å; N403-L406 WeakPolarHBondContact O-CB 3.28Å; N403-L406 PolarHBondContact O-N 3.06Å; S404-L406 VanDerWaalsContact C-N 3.31Å; S404-L406 PolarHBondContact O-N 3.03Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 2.84Å; L406-A409 PolarHBondContact O-N 3.28Å; L406-V410 WeakPolarHBondContact O-CG2 3.5Å; L406-V410 PolarHBondContact O-N 2.88Å
407A40.2Very low36.6Very low63 Ų6398 Ų9852%0.52158%0.581SS.*Hα-helixtrans-60.5-43.2172.700000111.2N403 S404 V410 A411N403-A407 PolarHBondContact O-N 2.9Å; S404-A407 PolarHBondContact O-N 2.79Å; A407-V410 PolarHBondContact O-N 3.44Å; A407-A411 VanDerWaalsContact O-CB 3.27Å; A407-A411 WeakPolarHBondContact O-CB 3.37Å; A407-A411 PolarHBondContact O-N 2.89Å
408A40.7Very low36.8Very low59 Ų5995.9 Ų95.949%0.48858%0.578SS.*Hα-helixtrans-64.5-39.4173.900000112.9S404 L406 A412S404-A408 WeakPolarHBondContact O-CB 3.44Å; S404-A408 PolarHBondContact O-N 3.12Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 2.84Å; A408-A412 VanDerWaalsContact O-CB 3.27Å; A408-A412 WeakPolarHBondContact O-CB 3.29Å; A408-A412 PolarHBondContact O-N 3.08Å
409A37.4Very low36.6Very low33 Ų3399.1 Ų99.127%0.27359%0.591SS.*Hα-helixtrans-68-40.2176.900000112.7N405 L406 A412 A413 L769N405-A409 VanDerWaalsContact O-CB 3.25Å; N405-A409 WeakPolarHBondContact O-CB 3.26Å; N405-A409 PolarHBondContact O-N 3.38Å; L406-A409 PolarHBondContact O-N 3.28Å; A409-A412 PolarHBondContact O-N 2.94Å; A409-A413 WeakPolarHBondContact O-CB 3.25Å; A409-A413 PolarHBondContact O-N 3.42Å; A409-L769 HydrophobicContact CB-CD1 4.28Å
410V42.9Very low36.5Very low79 Ų7996.9 Ų96.948%0.47959%0.587SS.*Hα-helixtrans-67.7-43.1174.7171.80000110.6L406 A407 A413 I414L406-V410 WeakPolarHBondContact O-CG2 3.5Å; L406-V410 PolarHBondContact O-N 2.88Å; A407-V410 PolarHBondContact O-N 3.44Å; V410-A413 PolarHBondContact O-N 3.15Å; V410-I414 HydrophobicContact CG1-CD1 3.84Å; V410-I414 WeakPolarHBondContact O-CG1 3.41Å; V410-I414 PolarHBondContact O-N 3.09Å
411A41.6Very low36.4Very low51 Ų5197.7 Ų97.742%0.42159%0.592SS.*Hα-helixtrans-59.5-47.9173.400000111.5A407 A413 I414 S415A407-A411 VanDerWaalsContact O-CB 3.27Å; A407-A411 WeakPolarHBondContact O-CB 3.37Å; A407-A411 PolarHBondContact O-N 2.89Å; A411-A413 VanDerWaalsContact C-N 3.33Å; A411-A413 PolarHBondContact O-N 3.48Å; A411-I414 PolarHBondContact O-N 3.38Å; A411-I414 VanDerWaalsContact O-N 3.15Å; A411-S415 WeakPolarHBondContact O-CB 3.41Å; A411-S415 PolarHBondContact O-N 3.27Å; A411-S415 PolarHBondContact O-OG 3.28Å; A411-S415 VanDerWaalsContact O-OG 3.04Å
412A40.7Very low36.3Very low48 Ų4894.4 Ų94.440%0.39759%0.587SS.*Hα-helixtrans-63.2-35.4177.800000113.3A408 A409 I414 N416A408-A412 VanDerWaalsContact O-CB 3.27Å; A408-A412 WeakPolarHBondContact O-CB 3.29Å; A408-A412 PolarHBondContact O-N 3.08Å; A409-A412 PolarHBondContact O-N 2.94Å; A412-I414 VanDerWaalsContact C-N 3.34Å; A412-N416 WeakPolarHBondContact O-CB 3.5Å; A412-N416 PolarHBondContact O-N 3.48Å
413A38.8Very low36.1Very low66 Ų6693.8 Ų93.855%0.54559%0.594SS.*Hα-helixtrans-67.2-33.9174.400000112.6A409 V410 A411A409-A413 WeakPolarHBondContact O-CB 3.25Å; A409-A413 PolarHBondContact O-N 3.42Å; V410-A413 PolarHBondContact O-N 3.15Å; A411-A413 VanDerWaalsContact C-N 3.33Å; A411-A413 PolarHBondContact O-N 3.48Å
414I42Very low35.7Very low113 Ų11396.6 Ų96.658%0.57961%0.609SS**Hα-helixtrans-77.8-41.4175.9-66.2166.9000110.7V410 A411 A412 N416 S417V410-I414 HydrophobicContact CG1-CD1 3.84Å; V410-I414 WeakPolarHBondContact O-CG1 3.41Å; V410-I414 PolarHBondContact O-N 3.09Å; A411-I414 PolarHBondContact O-N 3.38Å; A411-I414 VanDerWaalsContact O-N 3.15Å; A412-I414 VanDerWaalsContact C-N 3.34Å; I414-N416 VanDerWaalsContact C-N 3.32Å; I414-N416 PolarHBondContact O-N 3.37Å; I414-S417 PolarHBondContact O-N 3.46Å; I414-S417 PolarHBondContact O-OG 3.13Å
415S38.8Very low35.1Very low89 Ų8996.4 Ų96.462%0.62261%0.607SS**Hα-helixtrans-69.1-22.1-179.4-62.60000114.8A411 S417A411-S415 WeakPolarHBondContact O-CB 3.41Å; A411-S415 PolarHBondContact O-N 3.27Å; A411-S415 PolarHBondContact O-OG 3.28Å; A411-S415 VanDerWaalsContact O-OG 3.04Å; S415-S417 VanDerWaalsContact C-N 3.34Å
416N34Very low34.9Very low140 Ų14097.7 Ų97.775%0.74961%0.614SS**THydrogen-bonded Turntrans-88.76178.6-78.3-3.4000114A412 I414 S418A412-N416 WeakPolarHBondContact O-CB 3.5Å; A412-N416 PolarHBondContact O-N 3.48Å; I414-N416 VanDerWaalsContact C-N 3.32Å; I414-N416 PolarHBondContact O-N 3.37Å; N416-S418 VanDerWaalsContact C-N 3.3Å; N416-S418 PolarHBondContact O-N 3.21Å
417S32.2Very low34.2Very low74 Ų74100.4 Ų100.452%0.51764%0.636SS.*  trans-89.148.4-179.564.80000114I414 S415 F419I414-S417 PolarHBondContact O-N 3.46Å; I414-S417 PolarHBondContact O-OG 3.13Å; S415-S417 VanDerWaalsContact C-N 3.34Å; S417-F419 VanDerWaalsContact C-N 3.28Å; S417-F419 PolarHBondContact O-N 3.19Å
418S30.2Very low33.7Very low110 Ų110104.4 Ų104.477%0.76965%0.654SS**  trans-72.170.3-179.5-58.80000113.5N416 S420N416-S418 VanDerWaalsContact C-N 3.3Å; N416-S418 PolarHBondContact O-N 3.21Å; S418-S420 PolarHBondContact O-N 3.33Å
419F27.1Very low33.2Very low180 Ų180105.4 Ų105.479%0.78966%0.662SS**  trans-83.195.1173.9-86.7-82.2000112S417 L421S417-F419 VanDerWaalsContact C-N 3.28Å; S417-F419 PolarHBondContact O-N 3.19Å; F419-L421 HydrophobicContact CB-CD1 4.11Å; F419-L421 HydrophobicContact CD1-CD1 4.46Å; F419-L421 PolarHBondContact O-N 3.47Å
420S26.2Very low32.9Very low108 Ų108110.8 Ų110.876%0.75569%0.686SS**  trans-7894.5168.357.80000111.1S418 S422S418-S420 PolarHBondContact O-N 3.33Å; S420-S422 PolarHBondContact O-N 2.98Å
421L27.1Very low32.2Very low148 Ų148114.4 Ų114.478%0.77570%0.703SS**  trans-84.898.3166.9-87.877000110F419 S423F419-L421 HydrophobicContact CB-CD1 4.11Å; F419-L421 HydrophobicContact CD1-CD1 4.46Å; F419-L421 PolarHBondContact O-N 3.47Å; L421-S423 PolarHBondContact O-N 2.99Å
422S28.1Very low31.6Very low119 Ų119115.8 Ų115.883%0.83272%0.723SS**  trans-72.490.9167.4-59.20000110S420 N424S420-S422 PolarHBondContact O-N 2.98Å; S422-N424 PolarHBondContact O-N 3.32Å
423S29.5Very low31Very low117 Ų117118.7 Ų118.782%0.81874%0.74SS**  trans-67.9123.8175.355.50000111.1L421L421-S423 PolarHBondContact O-N 2.99Å
424N30.4Very low30.5Very low148 Ų148122.9 Ų122.979%0.79175%0.753SS**  trans-137.3114.2168.4-155.2-0.4000112.7S422S422-N424 PolarHBondContact O-N 3.32Å
425S31.4Very low29.8Very low88 Ų88124.8 Ų124.862%0.61576%0.764SS**  trans45.2131.715664.10000122.3
426N29.7Very low29.2Very low147 Ų147125.9 Ų125.979%0.78677%0.767SS**  trans78.795.9146.6-57.2-15.1000120
427P28.7Very low28.8Very low129 Ų129125.5 Ų125.584%0.83877%0.769SS**  trans-88132.4156.934.4-29.4000111.7
428V30.1Very low28.5Very low146 Ų146127.6 Ų127.689%0.88578%0.784SS**  trans-134.2133.9163-179.50000108.2
429A29.5Very low28.3Very low81 Ų81130 Ų13067%0.66979%0.787SS**  trans-94.9149.3-171.300000113
430N31.5Very low28.4Very low146 Ų146127.2 Ų127.278%0.78179%0.787SS**  -167.2157.6110.1-107.4-54.5000115.8
431N29.1Very low28.6Very low154 Ų154128 Ų12882%0.82479%0.787SS**  trans-50.8149.5179.8-51.9-63000115.8
432G28.5Very low28.9Very low81 Ų81128.8 Ų128.884%0.83579%0.791SS**  trans174.580.7168.900000114.6
433S28.3Very low29.4Very low109 Ų109129.9 Ų129.976%0.76279%0.788SS**  trans-65.4132.2-178.553.60000114.4
434N28.9Very low30.1Very low154 Ų154128.6 Ų128.682%0.82478%0.775SS**  -168.8163.6128.1-101.1-40.1000113.6
435L25.8Very low31Very low153 Ų153125.6 Ų125.680%0.80176%0.764SS**  trans-60.2154.9172.5-70.655.8000109.9
436T26.2Very low32.1Very low112 Ų112124.6 Ų124.669%0.68776%0.757SS**  cis-153.9146.742.449.80000114.7
437T26.1Very low33.9Very low131 Ų131122 Ų12280%0.80474%0.742SS**  trans45.483.5145.560.50000119.8
438S26Very low36.2Very low119 Ų119118.1 Ų118.183%0.83272%0.721SS**  trans-172.4111.5133.532.80000110.4
439I26Very low37.9Very low161 Ų161115.2 Ų115.283%0.82670%0.7SS**  trans-129128.1174.3-61-179.9000107
440P28.9Very low40.2Very low120 Ų120115.9 Ų115.978%0.77970%0.696SS**  trans-69.7144.8-176.528.4-34.8000111.8L442P440-L442 PolarHBondContact O-N 3.43Å; P440-L442 VanDerWaalsContact O-N 3.1Å
441T31.1Very low42.6Very low125 Ų125109.3 Ų109.377%0.76766%0.663SS**  trans-70.2103.8177.748.90000110.9N443T441-N443 PolarHBondContact O-N 3.25Å; T441-N443 VanDerWaalsContact O-N 3.12Å
442L33.3Very low44.1Very low164 Ų164107.8 Ų107.886%0.85966%0.661SS**  trans-72.7101.2175.6-160.978.1000109.7P440 T444P440-L442 PolarHBondContact O-N 3.43Å; P440-L442 VanDerWaalsContact O-N 3.1Å; L442-T444 PolarHBondContact O-N 3.28Å
443N37.7Very low45.9Very low142 Ų142108.3 Ų108.376%0.75965%0.652SS**  trans-67.897.6-178-78.2-19.6000111.5T441T441-N443 PolarHBondContact O-N 3.25Å; T441-N443 VanDerWaalsContact O-N 3.12Å
444T44Very low48Very low90 Ų90105.9 Ų105.955%0.55264%0.644SS**  trans-69.4132.7168.352.90000110.4L442 S446L442-T444 PolarHBondContact O-N 3.28Å; T444-S446 PolarHBondContact O-N 3.48Å
445P50Low50.2Low86 Ų86103.1 Ų103.156%0.55863%0.626SS**  trans-62.4138.1175.525.4-32.1000110.4I462P445-I462 HydrophobicContact CB-CD1 4.38Å; P445-I462 HydrophobicContact CG-CB 4.33Å; P445-I462 WeakPolarHBondContact O-CB 3.33Å; P445-I462 PolarHBondContact O-N 2.99Å
446S55.7Low52.6Low67 Ų67101.6 Ų101.647%0.46962%0.618SS.*EExtended strand (participates in β ladder)trans-139145.4179.362.80000111.9T444 I460T444-S446 PolarHBondContact O-N 3.48Å; S446-I460 CarbonylContact C-O 3.49Å; S446-I460 WeakPolarHBondContact CA-O 3.23Å; S446-I460 WeakPolarHBondContact CB-O 3.4Å
447I66Low54.9Low91 Ų91100.4 Ų100.447%0.46761%0.606SS.*EExtended strand (participates in β ladder)trans-95.3114.5-178.8-55.5177000108.2T459 I460 I462I447-T459 CarbonylContact O-C 3.53Å; I447-T459 WeakPolarHBondContact O-CA 3.47Å; I447-I460 PolarHBondContact N-O 3.11Å; I447-I460 PolarHBondContact O-N 3.14Å; I447-I462 HydrophobicContact CD1-CD1 4.05Å; I447-I462 HydrophobicContact CD1-CG1 4.24Å; I447-I462 HydrophobicContact CG1-CD1 3.84Å; I447-I462 HydrophobicContact CG1-CG1 4.03Å
448A76.8Confident57.3Low49 Ų4995.6 Ų95.641%0.40558%0.583SS.*EExtended strand (participates in β ladder)trans-76122170.300000110.3I456 T459A448-I456 HydrophobicContact CB-CG2 4.39Å; A448-T459 HydrophobicContact CB-CG2 4.24Å
449L67.2Low59.5Low84 Ų8494.3 Ų94.344%0.4457%0.571SS.*EExtended strand (participates in β ladder)trans-82.2123.9170.8-61.8-179.6000108.9I456 L457 G458 I460L449-I456 CarbonylContact O-C 3.56Å; L449-I456 WeakPolarHBondContact O-CA 3.3Å; L449-L457 HydrophobicContact CB-CB 4.36Å; L449-L457 PolarHBondContact O-N 2.78Å; L449-G458 PolarHBondContact N-O 3.39Å; L449-I460 HydrophobicContact CD1-CD1 4.16Å; L449-I460 HydrophobicContact CD1-CG1 4.4Å; L449-I460 HydrophobicContact CD2-CD1 4.18Å; L449-I460 HydrophobicContact CG-CD1 4.31Å; L449-I460 HydrophobicContact CG-CG1 4.48Å
450T78.1Confident61.1Low96 Ų9690.9 Ų90.959%0.58955%0.553SS**EExtended strand (participates in β ladder)trans-106.3136.6175.949.80000111.9E455 I456T450-E455 CarbonylContact C-O 3.26Å; T450-E455 VanDerWaalsContact CA-O 3.29Å; T450-E455 WeakPolarHBondContact CA-O 3.46Å; T450-I456 HydrophobicContact CG2-CG1 4.45Å
451G82Confident62.2Low8 Ų889.2 Ų89.28%0.08254%0.542CS..  trans-76.5169.7172.400000112.2S453 G454 E455G451-S453 PolarHBondContact O-N 3.46Å; G451-G454 PolarHBondContact O-N 3.33Å; G451-E455 PolarHBondContact N-O 3.4Å
452P59.4Low63Low121 Ų12187.2 Ų87.279%0.78653%0.526SS*.THydrogen-bonded Turntrans-62.9-14.3-179.827.8-35.7000113.7
453S67.2Low63.4Low93 Ų9383.9 Ų83.965%0.6552%0.522SS*.THydrogen-bonded Turntrans-86.6-6.5173.8-37.70000113.8G451 E455G451-S453 PolarHBondContact O-N 3.46Å; S453-E455 VanDerWaalsContact C-N 3.32Å; S453-E455 VanDerWaalsContact CB-OE1 3.23Å; S453-E455 WeakPolarHBondContact CB-OE1 3.39Å; S453-E455 PolarHBondContact OG-OE1 3.13Å
454G70.8Confident63.2Low57 Ų5782.3 Ų82.359%0.58852%0.522SS*.SBendtrans83.12.8-168.100000114.6G451G451-G454 PolarHBondContact O-N 3.33Å
455E76Confident62.6Low97 Ų9782.8 Ų82.845%0.45354%0.535SS..  trans-72.1140.4177.566.9-147138.800111.9T450 G451 S453 L457T450-E455 CarbonylContact C-O 3.26Å; T450-E455 VanDerWaalsContact CA-O 3.29Å; T450-E455 WeakPolarHBondContact CA-O 3.46Å; G451-E455 PolarHBondContact N-O 3.4Å; S453-E455 VanDerWaalsContact C-N 3.32Å; S453-E455 VanDerWaalsContact CB-OE1 3.23Å; S453-E455 WeakPolarHBondContact CB-OE1 3.39Å; S453-E455 PolarHBondContact OG-OE1 3.13Å; E455-L457 HydrophobicContact CG-CD2 4.05Å; E455-L457 PolarHBondContact O-N 2.91Å
456I76.2Confident61.7Low121 Ų12185.6 Ų85.662%0.62155%0.545SS*.EExtended strand (participates in β ladder)trans-80116.8176.8-60173.7000108.9A448 L449 T450A448-I456 HydrophobicContact CB-CG2 4.39Å; L449-I456 CarbonylContact O-C 3.56Å; L449-I456 WeakPolarHBondContact O-CA 3.3Å; T450-I456 HydrophobicContact CG2-CG1 4.45Å
457L75.6Confident60.6Low86 Ų8688 Ų8845%0.4556%0.562SS.*EExtended strand (participates in β ladder)trans-86.9-16.6-179.8-62.9176.9000113.1L449 E455L449-L457 HydrophobicContact CB-CB 4.36Å; L449-L457 PolarHBondContact O-N 2.78Å; E455-L457 HydrophobicContact CG-CD2 4.05Å; E455-L457 PolarHBondContact O-N 2.91Å
458G75.5Confident58.9Low31 Ų3188.6 Ų88.632%0.3257%0.574SS.*EExtended strand (participates in β ladder)trans158.7175.7178.500000112L449L449-G458 PolarHBondContact N-O 3.39Å
459T72.2Confident56.7Low92 Ų9294.5 Ų94.556%0.56459%0.594SS**EExtended strand (participates in β ladder)trans-122.5140.5174.448.90000111I447 A448I447-T459 CarbonylContact O-C 3.53Å; I447-T459 WeakPolarHBondContact O-CA 3.47Å; A448-T459 HydrophobicContact CB-CG2 4.24Å
460I58.7Low54.9Low88 Ų8897.3 Ų97.345%0.45161%0.609SS.*EExtended strand (participates in β ladder)trans-107111.8172.1-56.8176.6000107.8S446 I447 L449 I462S446-I460 CarbonylContact C-O 3.49Å; S446-I460 WeakPolarHBondContact CA-O 3.23Å; S446-I460 WeakPolarHBondContact CB-O 3.4Å; I447-I460 PolarHBondContact N-O 3.11Å; I447-I460 PolarHBondContact O-N 3.14Å; L449-I460 HydrophobicContact CD1-CD1 4.16Å; L449-I460 HydrophobicContact CD1-CG1 4.4Å; L449-I460 HydrophobicContact CD2-CD1 4.18Å; L449-I460 HydrophobicContact CG-CD1 4.31Å; L449-I460 HydrophobicContact CG-CG1 4.48Å; I460-I462 PolarHBondContact O-N 3.02Å
461P53.3Low52.5Low85 Ų8599.6 Ų99.655%0.55262%0.616SS**EExtended strand (participates in β ladder)trans-68.713017328.6-32.9000110.4A463P461-A463 PolarHBondContact O-N 2.9Å; P461-A463 VanDerWaalsContact O-N 3.13Å
462I48Very low50.1Low84 Ų84106.9 Ų106.943%0.43165%0.652SS.*  trans-83.289.3175.8-51.6176.5000107.9P445 I447 I460 S464P445-I462 HydrophobicContact CB-CD1 4.38Å; P445-I462 HydrophobicContact CG-CB 4.33Å; P445-I462 WeakPolarHBondContact O-CB 3.33Å; P445-I462 PolarHBondContact O-N 2.99Å; I447-I462 HydrophobicContact CD1-CD1 4.05Å; I447-I462 HydrophobicContact CD1-CG1 4.24Å; I447-I462 HydrophobicContact CG1-CD1 3.84Å; I447-I462 HydrophobicContact CG1-CG1 4.03Å; I460-I462 PolarHBondContact O-N 3.02Å; I462-S464 PolarHBondContact O-N 3.29Å; I462-S464 VanDerWaalsContact O-N 3.13Å
463A40.3Very low48.4Very low93 Ų93105.7 Ų105.777%0.76965%0.646SS**  trans-69.8103.3169.400000109.4P461 A465P461-A463 PolarHBondContact O-N 2.9Å; P461-A463 VanDerWaalsContact O-N 3.13Å; A463-A465 PolarHBondContact O-N 3.2Å
464S34.5Very low46.7Very low110 Ų110107.2 Ų107.277%0.76966%0.657SS**  trans-71.4107.4175.5-167.70000109.7I462 N466I462-S464 PolarHBondContact O-N 3.29Å; I462-S464 VanDerWaalsContact O-N 3.13Å; S464-N466 PolarHBondContact O-N 2.84Å; S464-N466 VanDerWaalsContact O-N 3.15Å
465A30.9Very low44.9Very low100 Ų100109.3 Ų109.383%0.82667%0.668SS**  trans-80.892.5-177.900000110.7A463A463-A465 PolarHBondContact O-N 3.2Å
466N31.4Very low42.7Very low144 Ų144113.3 Ų113.377%0.7769%0.692SS**  trans-148.9156.2172.8-118-22.4000112.2S464S464-N466 PolarHBondContact O-N 2.84Å; S464-N466 VanDerWaalsContact O-N 3.15Å
467S33.7Very low40.6Very low117 Ų117111.3 Ų111.382%0.81870%0.701SS**  trans55.3108.6178.352.40000117.8
468S29.2Very low38.4Very low104 Ų104113.4 Ų113.473%0.72772%0.723SS**  trans-70.5172.316352.70000114.4
469Q31.1Very low36.3Very low174 Ų174117.8 Ų117.881%0.81375%0.749SS**  trans98.2150.6164.6-55.8-175.9100116.9
470N29.7Very low34.2Very low143 Ų143119.5 Ų119.577%0.76576%0.759SS**  trans65.6104.5-171.1-53-34.5000113.3
471I26.5Very low32.8Very low144 Ų144122 Ų12274%0.73878%0.778SS**  cis58.7116.347-40.5171.8000108.1
472I31.1Very low31.7Very low160 Ų160126.1 Ų126.182%0.82179%0.79SS**  -141.2138.863.7-69.8159000114.4
473S25.5Very low30.8Very low97 Ų97127.9 Ų127.968%0.67881%0.806SS**  trans-42.5153.6168.3-38.20000119
474S30.5Very low30.1Very low125 Ų125129.3 Ų129.387%0.87481%0.809SS**  trans-178.5102.9132.8-83.40000114.3
475A32.3Very low29.6Very low100 Ų100130 Ų13083%0.82681%0.814SS**  trans178.4131.5147.400000110.4
476L31.3Very low29.5Very low182 Ų182132.8 Ų132.895%0.95381%0.814SS**  trans-80.7150.8-169.9-77.852.9000113.4
477G30.7Very low29.1Very low78 Ų78130.6 Ų130.680%0.80481%0.81SS**  trans17081.6169.900000114.5
478S30.3Very low28.8Very low131 Ų131132.9 Ų132.992%0.91681%0.813SS**  trans-79.5130.9-170.3-53.10000115.3
479S30.6Very low28.7Very low122 Ų122132.9 Ų132.985%0.85381%0.813SS**  trans-159.4144.8134.7-167.30000112.6
480V28.8Very low28.5Very low128 Ų128132.2 Ų132.278%0.77681%0.814SS**  trans-72.2135.2-174.6175.10000113.4
481V29.8Very low28.3Very low141 Ų141132.4 Ų132.486%0.85582%0.82SS**  trans-157.5145.6136.6161.80000108.6
482Q28.8Very low28.4Very low172 Ų172130.6 Ų130.680%0.80482%0.816SS**  trans-89.8162.7178.9-98175.2-100.200113.8
483P29.2Very low28.2Very low120 Ų120129.5 Ų129.578%0.77982%0.817SS**  trans-83.4153.5-16933.9-36.8000114.5
484C25.5Very low28.2Very low123 Ų123129.8 Ų129.883%0.83182%0.819SS**  trans-131.3145166.3-77.10000110.6
485S23.9Very low28Very low124 Ų124129.1 Ų129.187%0.86781%0.809SS**  trans-72.1136.2-179.8-48.10000112.2
486I29.4Very low27.8Very low159 Ų159130.7 Ų130.782%0.81581%0.808SS**  trans-132.1122.8168.4-57.7-179.1000109
487S24.1Very low27.8Very low99 Ų99128.7 Ų128.769%0.69280%0.798SS**  trans-89.6147.9177-48.70000111.6
488N26Very low27.8Very low165 Ų165131 Ų13188%0.88280%0.799SS**SBendtrans52.268.4155.7-62.1-1.1000119.3
489S27Very low27.8Very low103 Ų103129.6 Ų129.672%0.7280%0.795SS**  trans-167.5111.714359.80000112.9
490L27.7Very low27.8Very low160 Ų160130.1 Ų130.184%0.83879%0.789SS**  trans-166.784.3165.9-109.5150.4000112
491T26.1Very low27.9Very low147 Ų147130.1 Ų130.190%0.90279%0.791SS**  trans-129.550.9170.152.90000111.2
492T27.5Very low28.1Very low107 Ų107129.5 Ų129.566%0.65678%0.781SS**  trans-123.998.2174.450.60000109.5S494T492-S494 PolarHBondContact O-N 3.44Å
493V26.9Very low28.4Very low137 Ų137127.9 Ų127.983%0.8378%0.784SS**  trans-79.1102.7173.5179.20000108.7V495V493-V495 HydrophobicContact CG1-CG2 4.42Å; V493-V495 PolarHBondContact O-N 3.42Å
494S26.1Very low28.5Very low103 Ų103125.9 Ų125.972%0.7278%0.784SS**  trans-71.2106.1175.9-58.50000110.7T492 T496T492-S494 PolarHBondContact O-N 3.44Å; S494-T496 PolarHBondContact O-N 3.44Å
495V26.2Very low28.8Very low111 Ų111124.7 Ų124.767%0.67378%0.778SS**  trans-89.397.4177.2-172.30000110V493 L497V493-V495 HydrophobicContact CG1-CG2 4.42Å; V493-V495 PolarHBondContact O-N 3.42Å; V495-L497 HydrophobicContact CB-CD1 4.47Å; V495-L497 HydrophobicContact CG1-CD1 3.77Å; V495-L497 HydrophobicContact CG1-CG 4.47Å; V495-L497 PolarHBondContact O-N 3.08Å
496T28.6Very low29.4Very low132 Ų132123.7 Ų123.781%0.8177%0.771SS**  trans-83.294.8176.1-44.40000110.2S494S494-T496 PolarHBondContact O-N 3.44Å
497L30.6Very low30.1Very low140 Ų140121 Ų12173%0.73376%0.762SS**  trans-75.4136.2173.5-73.792.4000111.1V495 A499V495-L497 HydrophobicContact CB-CD1 4.47Å; V495-L497 HydrophobicContact CG1-CD1 3.77Å; V495-L497 HydrophobicContact CG1-CG 4.47Å; V495-L497 PolarHBondContact O-N 3.08Å; L497-A499 PolarHBondContact O-N 2.86Å
498P30.7Very low30.9Very low127 Ų127118.1 Ų118.183%0.82575%0.748SS**  trans-69.9122.5170.229-33000110.2N500P498-N500 PolarHBondContact O-N 2.92Å
499A29.6Very low31.6Very low101 Ų101115.5 Ų115.584%0.83573%0.733SS**  trans-81.5107-18000000111.3L497L497-A499 PolarHBondContact O-N 2.86Å
500N31.3Very low32.3Very low134 Ų134113.6 Ų113.672%0.71772%0.724SS**  trans-146.697165.8-156.41.7000111.4P498 I502P498-N500 PolarHBondContact O-N 2.92Å; N500-I502 PolarHBondContact O-N 2.85Å
501P30.7Very low32.9Very low127 Ų127111.2 Ų111.283%0.82571%0.712SS**  trans-91.391-169.334.4-33.6000112.6
502I34.2Very low33.6Very low128 Ų128106.3 Ų106.366%0.65668%0.682SS**  trans-118.8110.6174.1-56.7-176.5000110.9N500N500-I502 PolarHBondContact O-N 2.85Å
503T36.1Very low34.3Very low139 Ų139106.6 Ų106.685%0.85368%0.679SS**SBendtrans54.1100.2164.258.80000119.8
504G29.5Very low35Very low77 Ų77104.7 Ų104.779%0.79466%0.664SS**SBendtrans113134.413800000118.9
505S33.5Very low35.5Very low99 Ų99110.1 Ų110.169%0.69267%0.669SS**  trans64.849.8161.1-163.70000118.7T507S505-T507 PolarHBondContact O-N 2.62Å; S505-T507 VanDerWaalsContact O-N 3.12Å
506S36.6Very low36Very low103 Ų103111 Ų11172%0.7267%0.669SS**THydrogen-bonded Turntrans-63.5-11.1173.451.70000116G508S506-G508 PolarHBondContact O-N 3.01Å
507T43.3Very low36.4Very low102 Ų102114.3 Ų114.363%0.62667%0.667SS**Hα-helixtrans-77.8-13.8-177.549.70000114.9S505 N511S505-T507 PolarHBondContact O-N 2.62Å; S505-T507 VanDerWaalsContact O-N 3.12Å; T507-N511 PolarHBondContact O-ND2 3.19Å
508G40.6Very low36.6Very low39 Ų39112.2 Ų112.240%0.40266%0.662SS.*Hα-helixtrans-72.4-56.1176.100000112.3S506 A510 N511 T512S506-G508 PolarHBondContact O-N 3.01Å; G508-A510 VanDerWaalsContact C-N 3.3Å; G508-A510 PolarHBondContact O-N 3.18Å; G508-N511 PolarHBondContact O-N 2.84Å; G508-T512 PolarHBondContact O-N 2.85Å; G508-T512 PolarHBondContact O-OG1 2.86Å
509L40.7Very low36.9Very low110 Ų110110 Ų11058%0.57666%0.655SS**Hα-helixtrans-59.5-35.5-173.5-67.9170.7000113.5N511 T512 L513L509-N511 VanDerWaalsContact C-N 3.26Å; L509-N511 PolarHBondContact O-N 3.39Å; L509-T512 WeakPolarHBondContact CA-OG1 3.46Å; L509-T512 PolarHBondContact O-N 3.18Å; L509-T512 PolarHBondContact O-OG1 3.17Å; L509-L513 WeakPolarHBondContact O-CB 3.32Å; L509-L513 VanDerWaalsContact O-CG 3.31Å; L509-L513 WeakPolarHBondContact O-CG 3.47Å; L509-L513 PolarHBondContact O-N 3.41Å
510A40.9Very low37.1Very low63 Ų63110 Ų11052%0.52165%0.645SS.*Hα-helixtrans-60.2-35.6175.700000112.5G508 N514G508-A510 VanDerWaalsContact C-N 3.3Å; G508-A510 PolarHBondContact O-N 3.18Å; A510-N514 WeakPolarHBondContact O-CB 3.25Å; A510-N514 PolarHBondContact O-N 3.19Å
511N40.9Very low37.2Very low110 Ų110106.8 Ų106.859%0.58864%0.637SS**Hα-helixtrans-79.8-36-179.2-74.8-57.6000112.9T507 G508 L509 W515T507-N511 PolarHBondContact O-ND2 3.19Å; G508-N511 PolarHBondContact O-N 2.84Å; L509-N511 VanDerWaalsContact C-N 3.26Å; L509-N511 PolarHBondContact O-N 3.39Å; N511-W515 PolarHBondContact O-N 3.02Å
512T41Very low37.2Very low44 Ų44106.3 Ų106.327%0.2763%0.632SS.*Hα-helixtrans-70.8-38.7173.930.40000112.4G508 L509 N514 W515 L516G508-T512 PolarHBondContact O-N 2.85Å; G508-T512 PolarHBondContact O-OG1 2.86Å; L509-T512 WeakPolarHBondContact CA-OG1 3.46Å; L509-T512 PolarHBondContact O-N 3.18Å; L509-T512 PolarHBondContact O-OG1 3.17Å; T512-N514 VanDerWaalsContact C-N 3.33Å; T512-N514 PolarHBondContact O-N 3.06Å; T512-W515 WeakPolarHBondContact O-CB 3.5Å; T512-W515 PolarHBondContact O-N 3.05Å; T512-L516 PolarHBondContact O-N 3.26Å
513L43.1Very low37.3Very low113 Ų113105.9 Ų105.959%0.59264%0.635SS**Hα-helixtrans-65.3-35.3174.1-71.5170.7000112.4L509 W515 L516 R517L509-L513 WeakPolarHBondContact O-CB 3.32Å; L509-L513 VanDerWaalsContact O-CG 3.31Å; L509-L513 WeakPolarHBondContact O-CG 3.47Å; L509-L513 PolarHBondContact O-N 3.41Å; L513-W515 VanDerWaalsContact C-N 3.32Å; L513-W515 PolarHBondContact O-N 2.98Å; L513-L516 PolarHBondContact O-N 3.44Å; L513-R517 PolarHBondContact O-N 3.08Å
514N40.9Very low37.1Very low97 Ų97106.1 Ų106.152%0.51963%0.631SS.*Hα-helixtrans-69-29.8176.6-14921.5000112.4A510 T512 R517 C518A510-N514 WeakPolarHBondContact O-CB 3.25Å; A510-N514 PolarHBondContact O-N 3.19Å; T512-N514 VanDerWaalsContact C-N 3.33Å; T512-N514 PolarHBondContact O-N 3.06Å; N514-R517 PolarHBondContact O-N 3.12Å; N514-C518 PolarHBondContact O-N 2.82Å; N514-C518 PolarHBondContact O-SG 3.44Å; N514-C518 VanDerWaalsContact O-SG 3.38Å
515W37.2Very low37.3Very low217 Ų217108.1 Ų108.182%0.82263%0.63SS**Hα-helixtrans-64.4-43.4171.9-99.575.7000112.7N511 T512 L513 R517 C518N511-W515 PolarHBondContact O-N 3.02Å; T512-W515 WeakPolarHBondContact O-CB 3.5Å; T512-W515 PolarHBondContact O-N 3.05Å; L513-W515 VanDerWaalsContact C-N 3.32Å; L513-W515 PolarHBondContact O-N 2.98Å; W515-R517 VanDerWaalsContact C-N 3.26Å; W515-R517 PolarHBondContact O-N 3.1Å; W515-C518 PolarHBondContact O-N 3.13Å
516L36.3Very low37.2Very low128 Ų128110.6 Ų110.667%0.6764%0.635SS**Hα-helixtrans-64.1-31.5176-77164.1000112.2T512 L513 C518 A519T512-L516 PolarHBondContact O-N 3.26Å; L513-L516 PolarHBondContact O-N 3.44Å; L516-C518 VanDerWaalsContact C-N 3.29Å; L516-C518 PolarHBondContact O-N 3.5Å; L516-A519 PolarHBondContact O-N 3Å
517R35.8Very low37.1Very low202 Ų202110.9 Ų110.976%0.76264%0.637SS**Hα-helixtrans-72.6-18.2177.2-144.4176.6-164.3178.95.1114.2L513 N514 W515L513-R517 PolarHBondContact O-N 3.08Å; N514-R517 PolarHBondContact O-N 3.12Å; W515-R517 VanDerWaalsContact C-N 3.26Å; W515-R517 PolarHBondContact O-N 3.1Å
518C34.8Very low36.5Very low96 Ų96115 Ų11565%0.64965%0.649SS**THydrogen-bonded Turntrans-91.4-9.8177.9-69.10000113.9N514 W515 L516N514-C518 PolarHBondContact O-N 2.82Å; N514-C518 PolarHBondContact O-SG 3.44Å; N514-C518 VanDerWaalsContact O-SG 3.38Å; W515-C518 PolarHBondContact O-N 3.13Å; L516-C518 VanDerWaalsContact C-N 3.29Å; L516-C518 PolarHBondContact O-N 3.5Å
519A37.7Very low36.1Very low82 Ų82121.9 Ų121.968%0.67867%0.671SS**THydrogen-bonded Turntrans-83.5-8.6-174.700000114.5L516L516-A519 PolarHBondContact O-N 3Å
520T33.7Very low35.6Very low101 Ų101122.6 Ų122.662%0.6268%0.679SS**THydrogen-bonded Turntrans-122.712.1-170.851.20000113.9
521A32.7Very low35.1Very low66 Ų66127.5 Ų127.555%0.54570%0.695SS.*  trans-113.683.5-17300000112.8V523A521-V523 HydrophobicContact CB-CG2 4.35Å; A521-V523 PolarHBondContact O-N 3.12Å
522T32Very low34.6Very low116 Ų116128.8 Ų128.871%0.71270%0.702SS**  trans-77.295.9160.239.30000109.3Q398Q398-T522 PolarHBondContact NE2-OG1 3.34Å
523V36.2Very low34.1Very low119 Ų119131.1 Ų131.172%0.72172%0.72SS**  trans-129.3119.8180-1790000109.8A521A521-V523 HydrophobicContact CB-CG2 4.35Å; A521-V523 PolarHBondContact O-N 3.12Å
524D30.8Very low33.4Very low144 Ų144136 Ų13677%0.7774%0.737SS**  trans-67132.4174.5-80.8-63.4000111.5N526D524-N526 PolarHBondContact O-N 2.71Å
525P33.8Very low33Very low120 Ų120138.6 Ų138.678%0.77975%0.751SS**SBendtrans-82.861.5-176.335-36.9000111.9
526N33Very low33.1Very low150 Ų150134.3 Ų134.380%0.80275%0.751SS**  trans-15852.3176.4-105.9-21.8000115.5D524D524-N526 PolarHBondContact O-N 2.71Å
527S34.7Very low32.8Very low109 Ų109131.7 Ų131.776%0.76276%0.755SS**  trans-152.9103.8160.258.60000112.5
528H30.5Very low32.7Very low190 Ų190126.1 Ų126.188%0.8875%0.752SS**  trans-80.8114.9164.8-94.3-90.7000109.4
529H32.2Very low32.6Very low183 Ų183129.3 Ų129.385%0.84776%0.763SS**  trans-138.2130154.3-121.7-84000110.6
530V28.9Very low32.3Very low125 Ų125129.4 Ų129.476%0.75876%0.763SS**  trans-85.9119.4-177.2177.50000109.2
531I31.2Very low32.3Very low166 Ų166130.2 Ų130.285%0.85177%0.773SS**  trans-128.7130.4158.2-60.6-177.1000107.1
532N29.7Very low32.2Very low136 Ų136131.3 Ų131.373%0.72778%0.777SS**  trans-106.2160.1-172.1-1479.6000110.4
533S30Very low31.9Very low94 Ų94135.3 Ų135.366%0.65779%0.785SS**  trans58.6100.8158.7-540000119.4
534F29.4Very low31.5Very low214 Ų214134 Ų13494%0.93978%0.781SS**  trans-141.9124.3137.1-103.8-79.6000109.7
535N31.8Very low31.4Very low153 Ų153133.5 Ų133.582%0.81878%0.783SS**  trans-150106177.2-173.429.5000110.1
536P40.9Very low31.3Very low126 Ų126133.4 Ų133.482%0.81878%0.78SS**  trans-85125.3176.832.8-30.7000110.5
537G29Very low31.4Very low74 Ų74131.6 Ų131.676%0.76378%0.779SS**  trans-117.2154.9174.500000112.4
538A33.6Very low31.3Very low85 Ų85130 Ų13070%0.70278%0.78SS**  trans-163.7139.7161.600000111.3
539N31.9Very low31.4Very low163 Ų163128.6 Ų128.687%0.87278%0.779SS**  trans66.1136.5154.2-53.5-19.6000118.3
540A32.3Very low31.8Very low83 Ų83124.7 Ų124.769%0.68677%0.77SS**  cis-160.7171.5-9.300000110.9
541S32.8Very low32.1Very low118 Ų118125.3 Ų125.383%0.82577%0.774SS**  trans64.4139.6171.462.30000118
542S31.3Very low32.3Very low90 Ų90120.7 Ų120.763%0.62976%0.76SS**  cis-167.7139.6-1252.20000112.5
543F26.9Very low32.6Very low199 Ų199121.9 Ų121.987%0.87377%0.766SS**  trans61.1148.8164.7-54.9-67.9000118.7
544S27.9Very low32.9Very low92 Ų92123.7 Ų123.764%0.64377%0.768SS**  cis-173.5134.1-25.450.90000112
545V28.5Very low33.4Very low134 Ų134120.7 Ų120.781%0.81276%0.757SS**  trans68.8140.3144.51790000115.5
546T31.6Very low33.5Very low118 Ų118118 Ų11872%0.72475%0.749SS**  cis-152.6158.337.6-24.20000112.7
547S34.8Very low33.1Very low111 Ų111118.4 Ų118.478%0.77674%0.744SS**  trans19.4146.9148.860.30000123
548G32.9Very low33.7Very low76 Ų76120.7 Ų120.778%0.78474%0.743SS**  cis169.5157.81.400000113.9
549N31.6Very low33.8Very low161 Ų161121.8 Ų121.886%0.86174%0.741SS**  trans-80.3-178.2173.4-1370.5000110.1
550P41.7Very low34.2Very low101 Ų101121.4 Ų121.466%0.65673%0.734SS**  cis-158.4175.438.747.1-25.4000120.4
551V34.6Very low34.7Very low137 Ų137124.3 Ų124.383%0.8373%0.733SS**  trans63.7155.1134.51600000119.2
552A35.6Very low35.1Very low69 Ų69124.5 Ų124.557%0.5772%0.721SS**  cis-147.4168.414.300000114.5
553L35.4Very low35.6Very low161 Ų161127.2 Ų127.284%0.84372%0.724SS**  trans153.6109.3134.2-82.5172.4000108.1
554L37.1Very low36.1Very low133 Ų133125.6 Ų125.670%0.69672%0.719SS**  71.6129.955.1-62.6174.8000113.1
555Q38.4Very low36.3Very low151 Ų151124.8 Ų124.871%0.70673%0.725SS**  cis-167.2170.2-1-175.1171.7-24.700112.3
556S34Very low36.7Very low95 Ų95125.6 Ų125.666%0.66473%0.73SS**  trans82.8150.7155.6-77.70000120.3
557L32.4Very low36.7Very low136 Ų136128.7 Ų128.771%0.71274%0.736SS**  cis-174178.5-33.2-120.7169000109.7
558V41.5Very low36.7Very low122 Ų122127.3 Ų127.374%0.73973%0.732SS**  trans71.4121.3172.7-167.60000115.2
559T37Very low36.9Very low108 Ų108132 Ų13266%0.66373%0.733SS**  cis94.9103.415.475.60000118.4
560H41Very low37Very low155 Ų155130.8 Ų130.872%0.71873%0.725SS**  trans-175.2140.5137-117.1-126.2000115.4
561Q41.6Very low36.7Very low144 Ų144133.1 Ų133.167%0.67373%0.727SS**  trans47.6156.5132.2-76.2-172.2-22.500123.4
562Q41.8Very low36.6Very low122 Ų122130.6 Ų130.657%0.5771%0.705SS**  cis-175.3137.4-8.6158.3169.6-6.700113.1
563Q41.3Very low36.5Very low146 Ų146136.4 Ų136.468%0.68272%0.721SS**  trans49.4176.3151.8-72.3171.5-17.900121
564Q38Very low36.4Very low166 Ų166135.6 Ų135.678%0.77671%0.712SS**  cis-158.9140.9-49.6-108.7175-25.700109
565G32.5Very low36.3Very low75 Ų75134.5 Ų134.577%0.77371%0.713SS**  trans69.6137145.100000121.4
566V35.2Very low36.1Very low151 Ų151134.9 Ų134.992%0.91572%0.719SS**  179.8158.5126.6149.30000108
567Q32.6Very low35.7Very low182 Ų182138.8 Ų138.885%0.8573%0.727SS**  trans-103.3168.3-170.8-64.5177-36.600114
568A35.5Very low35.7Very low83 Ų83138.1 Ų138.169%0.68673%0.731SS**  trans96.9124.4140.800000121.5
569Q36Very low35Very low173 Ų173136.3 Ų136.381%0.80873%0.729SS**  trans84.1132.1131.3-84.4-175.2-34.600123.9
570I33.7Very low34.6Very low137 Ų137140.6 Ų140.670%0.70374%0.739SS**  trans85.297.2137.6-67.7167.6000119.8
571Q35.7Very low34Very low149 Ų149138.5 Ų138.570%0.69674%0.742SS**  73.9111.7115.9-155.292.4-3400122
572K31.3Very low33.5Very low84 Ų84138.5 Ų138.537%0.36575%0.751SS.*  trans49.4118.4145.1-64.2174.9178.9-179.30121.3T387T387-K572 VanDerWaalsContact CB-NZ 3.3Å; T387-K572 HydrophobicContact CG2-CD 4.44Å; T387-K572 WeakPolarHBondContact O-CE 3.35Å; T387-K572 PolarHBondContact O-NZ 2.9Å; T387-K572 PolarHBondContact OG1-NZ 3.19Å
573Q34.6Very low33.1Very low191 Ų191135.7 Ų135.789%0.89376%0.755SS**  -162.3151.5117.4-111.2154.694.900114.7
574Q33.1Very low33Very low144 Ų144134.1 Ų134.167%0.67376%0.758SS**  trans-107.7-171.6166.3-113.8176.5-14.800107.4
575P34.9Very low32.9Very low110 Ų110132 Ų13271%0.71476%0.756SS**  cis-113.5-143.913.4216.1000111.6
576L33.8Very low32.8Very low159 Ų159136.1 Ų136.183%0.83276%0.759SS**  cis-142.5175.312.6-68.294.9000112.5
577Q26.9Very low32.6Very low178 Ų178132.2 Ų132.283%0.83274%0.743SS**  trans-133.2161158.7-73.5-171.5-25.100110.3
578P31Very low32.6Very low121 Ų121129.2 Ų129.279%0.78673%0.733SS**  trans-100.3149.4151.536.1-28.4000111.6
579A27.7Very low32.4Very low85 Ų85132.8 Ų132.870%0.70274%0.738SS**  trans-145.2146.7179.800000113
580F27.7Very low32.2Very low197 Ų197127.3 Ų127.386%0.86473%0.728SS**  trans-144.4125.5168.1-60.5-84000106.4
581S29.6Very low32.1Very low112 Ų112127.1 Ų127.178%0.78373%0.734SS**  cis75.5123.148.4-164.30000111.7
582V31.3Very low31.9Very low143 Ų143128.1 Ų128.187%0.86774%0.743SS**  cis-154.6169.20.9100.90000108.4
583G32.7Very low31.8Very low64 Ų64127.3 Ų127.366%0.6676%0.758SS**  cis-171.7-98.45.700000115.2
584P40.1Very low31.7Very low113 Ų113126.6 Ų126.673%0.73476%0.76SS**  trans-110.1173.4-15542.4-33.7000115
585T35.7Very low31.7Very low121 Ų121127.5 Ų127.574%0.74277%0.769SS**  cis-152.1156.319.5-17.50000106.6
586L31Very low31.5Very low161 Ų161127.4 Ų127.484%0.84377%0.771SS**  cis66.1143.332.3-58.8176.1000113.7
587A30Very low31.7Very low70 Ų70125.9 Ų125.958%0.57977%0.771SS**  cis-125.5-173.7-10.600000108.2I589A587-I589 HydrophobicContact CB-CD1 4.33Å
588L33.2Very low32Very low119 Ų119122 Ų12262%0.62377%0.769SS**  cis-140.3151.631.2-69.1140.7000108.9E1074L588-E1074 VanDerWaalsContact CD1-OE2 3.31Å; L588-E1074 WeakPolarHBondContact CD1-OE2 3.36Å
589I29.9Very low31.9Very low157 Ų157121 Ų12181%0.80577%0.772SS**  cis80.5113.240-57.7175.6000113.9A587A587-I589 HydrophobicContact CB-CD1 4.33Å
590G32.1Very low31.8Very low58 Ų58122.7 Ų122.760%0.59878%0.776SS**  trans142.499.2172.600000112.6
591T31.7Very low32Very low133 Ų133118.6 Ų118.682%0.81677%0.773SS**  57.812386.561.80000114.1
592L31.1Very low32Very low170 Ų170119.6 Ų119.689%0.8977%0.773SS**  cis-138.2168.61.1-75.5116.4000107.3
593G30.3Very low32Very low67 Ų67119.7 Ų119.769%0.69178%0.775SS**  cis111.888.131.500000109
594L32Very low31.8Very low177 Ų177120 Ų12093%0.92778%0.778SS**  trans-101110.6176.5-72.9173.7000109.8
595N32.5Very low31.4Very low163 Ų163123.8 Ų123.887%0.87279%0.786SS**PPolyproline II helixtrans-73.6145.1174.3-85.8-9000111.6
596S32.2Very low31.5Very low108 Ų108126.3 Ų126.376%0.75579%0.789SS**PPolyproline II helixtrans-71.3148.2174.7-47.90000112
597P36.7Very low31.9Very low126 Ų126123.2 Ų123.282%0.81878%0.778SS**PPolyproline II helixtrans-65.5135.7156.430.5-32.8000109
598A32.7Very low32.2Very low96 Ų96124 Ų12479%0.79378%0.779SS**PPolyproline II helixtrans-77.7140.7-174.500000112.6
599A30.1Very low32.2Very low102 Ų102125.9 Ų125.984%0.84379%0.785SS**  trans-100.3108.8163.400000109
600C25.8Very low32.4Very low119 Ų119123.7 Ų123.780%0.80478%0.779SS**  trans-70.8138.3-177.6-61.50000112.2
601S30.5Very low32.4Very low112 Ų112125.6 Ų125.678%0.78378%0.779SS**  trans-156.294.4165.8-80.60000113.4
602V29.8Very low32.3Very low132 Ų132127.5 Ų127.580%0.878%0.777SS**  trans51.3106.3142.4-1670000119.3
603T31.4Very low32.4Very low146 Ų146124.6 Ų124.690%0.89677%0.766SS**  177.9149.4120.524.50000111.5
604G29.8Very low32.6Very low70 Ų70126.2 Ų126.272%0.72277%0.766SS**  trans107.373.1157.700000120.6
605Q31.4Very low32.7Very low192 Ų192124.5 Ų124.590%0.89776%0.758SS**  trans39114.9139.8-62.8167.8-82.500122.5
606H37Very low32.8Very low175 Ų175123.6 Ų123.681%0.8176%0.759SS**  23.1156.8116.2-103.2-99.5000121.3
607P40.4Very low32.9Very low96 Ų96121.9 Ų121.962%0.62376%0.758SS**  cis-144.4168.18.846.2-28.5000118.6
608S35.9Very low32.7Very low85 Ų85123.9 Ų123.959%0.59476%0.761SS**  51.5152.9129.271.20000124.2
609E33.3Very low32.8Very low159 Ų159123.7 Ų123.774%0.74375%0.754SS**  cis-164.6138-5.7-109.3154.9-139.600108.5
610T34.3Very low32.9Very low112 Ų112125 Ų12569%0.68775%0.752SS**  65.315590.179.80000117.9
611T32.6Very low33.7Very low98 Ų98124.8 Ų124.860%0.60175%0.749SS**  cis-175.1-175.7-24.7-79.60000107.8
612F29.3Very low33.7Very low173 Ų173125.3 Ų125.376%0.75975%0.747SS**  trans100.7140.6151.6-58-73.6000119.5
613T32.2Very low33.7Very low109 Ų109123.9 Ų123.967%0.66974%0.743SS**  cis-176.1172.2-36.623.30000111
614S35.5Very low33.7Very low100 Ų100123.1 Ų123.170%0.69974%0.738SS**  trans89.4153.6143.787.20000118.9
615N32.4Very low33.9Very low141 Ų141126.3 Ų126.375%0.75474%0.744SS**  cis-169.7162.2-25.1-107.1-8000111.8
616T35.7Very low33.9Very low144 Ų144124.7 Ų124.788%0.88374%0.74SS**  trans63.4151.4165.759.20000119
617G34.1Very low33.9Very low72 Ų72120.9 Ų120.974%0.74273%0.731SS**  cis168.6159.2-12.200000115.8
618L32.6Very low33.6Very low169 Ų169121 Ų12189%0.88573%0.734SS**  trans82.5129.6156.1-121.172.2000124.5
619S33.9Very low33.5Very low92 Ų92122.7 Ų122.764%0.64374%0.741SS**  trans66.5101141.952.20000125.4
620T33.5Very low33.4Very low130 Ų130121.4 Ų121.480%0.79874%0.738SS**  27159.9110.358.80000123
621P41.4Very low33.4Very low113 Ų113123.2 Ų123.273%0.73474%0.739SS**  cis-142.9-154.5-2837.7-14.7000114.5
622V31.6Very low33.4Very low123 Ų123124.6 Ų124.675%0.74574%0.742SS**  trans107.690.8158.1-168.70000120.2
623S30.4Very low33.5Very low103 Ų103123 Ų12372%0.7274%0.742SS**  52.6138.8120.9-42.90000126.5
624T30Very low33.4Very low129 Ų129122.7 Ų122.779%0.79174%0.739SS**  trans89.7121.8143.4-13.90000120.5
625V33.7Very low33.2Very low138 Ų138126.3 Ų126.384%0.83675%0.746SS**  177.9156.8114.2152.40000111.5
626L32.6Very low33.3Very low157 Ų157125 Ų12582%0.82275%0.747SS**  trans-123.7-166.4-171.5-107.9-45.4000108.9
627P36.8Very low33.3Very low96 Ų96121.5 Ų121.562%0.62374%0.74SS**  cis-142.8171.1-18.636.3-15.1000118.4
628S33.1Very low33.6Very low97 Ų97124 Ų12468%0.67874%0.743SS**  trans59.6165.8130.474.30000127.5
629T34.2Very low33.7Very low121 Ų121121.8 Ų121.874%0.74274%0.736SS**  trans100.9142.415871.70000118.5
630L30.9Very low33.9Very low132 Ų132124.2 Ų124.269%0.69174%0.742SS**  cis-165.3162.5-14.9-111.6171.3000112.1
631H35.2Very low34.3Very low150 Ų150122.6 Ų122.669%0.69474%0.736SS**  trans67.6158.3155.2-70150.2000121.5
632N32Very low33.8Very low127 Ų127125.4 Ų125.468%0.67975%0.745SS**  cis-171.8156.4-39.6-12310.7000112.2
633N30.9Very low34Very low141 Ų141123.8 Ų123.875%0.75475%0.745SS**  trans64.9153.9153.2-81.37.3000121.6
634V31.6Very low34.4Very low101 Ų101123.7 Ų123.761%0.61275%0.75SS**  cis-167.6151.8-23.474.90000112.5
635Q30.9Very low35Very low177 Ų177125 Ų12583%0.82775%0.751SS**  trans61.2155.2161.1-84.2154.7-37.900119.7
636S34.4Very low35.2Very low113 Ų113122.7 Ų122.779%0.7974%0.737SS**  cis-149.2158-345.50000112.1
637G35.2Very low35.3Very low70 Ų70119 Ų11972%0.72273%0.729SS**  trans-85.5-158.7178.200000115.4
638P40.1Very low35.5Very low126 Ų126119.2 Ų119.282%0.81874%0.739SS**  cis-139.6-174.443.843-25000117.9
639V36.3Very low35.7Very low121 Ų121118.6 Ų118.673%0.73374%0.74SS**  trans-35.6161.7177.4-56.80000117.8
640N38Very low36Very low143 Ų143118.9 Ų118.977%0.76574%0.736SS**  cis-158.9162.733.84625.2000111.8
641S41.1Very low36.4Very low97 Ų97120.3 Ų120.368%0.67874%0.744SS**  cis177.6116.8-20.6-86.60000105.7A643S641-A643 PolarHBondContact O-N 3.03Å; S641-A643 VanDerWaalsContact O-N 3.16Å
642N31Very low36.4Very low171 Ų171124.5 Ų124.591%0.91475%0.753SS**  trans-65.7110.4-177.6-68.4-55.3000112.5
643A36.1Very low36.5Very low90 Ų90123.4 Ų123.474%0.74476%0.755SS**  trans-105.5-17.7-179.800000115S641S641-A643 PolarHBondContact O-N 3.03Å; S641-A643 VanDerWaalsContact O-N 3.16Å
644A38.8Very low36.6Very low100 Ų100124.1 Ų124.183%0.82676%0.759SS**SBendtrans-86.9-17.9-16500000116.1
645L41.3Very low36.8Very low156 Ų156125 Ų12582%0.81776%0.764SS**SBendtrans-112.2-3.5-166.2-115.9164.5000115.4
646V39.3Very low36.7Very low90 Ų90124 Ų12455%0.54577%0.765SS.*SBendtrans-103.6-25.6-177.51780000112.6A648 A649 L650V646-A648 PolarHBondContact O-N 2.81Å; V646-A649 PolarHBondContact O-N 2.86Å; V646-L650 HydrophobicContact CG1-CD1 3.72Å
647A35.3Very low36.6Very low79 Ų79125.8 Ų125.865%0.65377%0.77SS**THydrogen-bonded Turntrans-63.9-22.1-179.700000114.2
648A39.5Very low36.4Very low101 Ų101130.8 Ų130.884%0.83577%0.772SS**THydrogen-bonded Turntrans-79.9-13-176.800000114.8V646V646-A648 PolarHBondContact O-N 2.81Å
649A38.8Very low36Very low84 Ų84132.9 Ų132.969%0.69477%0.771SS**THydrogen-bonded Turntrans-112.2-13.5-170.500000115.2V646V646-A649 PolarHBondContact O-N 2.86Å
650L40.1Very low35.6Very low127 Ų127131 Ų13167%0.66576%0.764SS**SBendtrans-98.48.1-164.6-82.6173.6000116.9V646V646-L650 HydrophobicContact CG1-CD1 3.72Å
651L38.3Very low35.3Very low162 Ų162130.9 Ų130.985%0.84876%0.763SS**SBendtrans-118.840.3-175.2-67176.6000114.3
652R35.3Very low34.8Very low239 Ų239133.6 Ų133.690%0.90277%0.765SS**SBendtrans-138.89.3176.8-97.9-169175.794.61.9116.9
653S33.9Very low35Very low103 Ų103133.3 Ų133.372%0.7276%0.758SS**  trans-152.1154.4178.2-61.90000111.5
654L34.2Very low35Very low157 Ų157135 Ų13582%0.82275%0.754SS**  trans67.6107.8-176.8-45.5178.6000112.9
655T34.5Very low34.7Very low118 Ų118135.3 Ų135.372%0.72475%0.746SS**  cis69.310123.981.90000116.7
656N29.3Very low34.5Very low157 Ų157134.4 Ų134.484%0.8474%0.742SS**  trans42.8123.2148.5-57.8-13.7000120.4
657V33.2Very low34.4Very low150 Ų150134 Ų13491%0.90974%0.743SS**  -173.8173.7108.8146.80000110.1
658K30.2Very low34.4Very low175 Ų175137.1 Ų137.176%0.76175%0.748SS**  trans-114.5176.6-159.2-164.5-171.1178.5-177.10111.5
659Q31.1Very low34.1Very low170 Ų170137.4 Ų137.479%0.79474%0.74SS**  trans79.9148.1162.8-69.2174.6-91.200116.7
660S29.4Very low33.8Very low83 Ų83140.1 Ų140.158%0.5874%0.741SS**  cis-171.4170.8-10.445.60000112.5
661N30.2Very low33.5Very low139 Ų139141.3 Ų141.374%0.74375%0.748SS**  trans78146.4156.2-69.23.3000117.6
662Q31.4Very low33.2Very low155 Ų155136.7 Ų136.772%0.72473%0.734SS**  cis-167177.7-7.6167.9168.8-9.700110.4
663E34.4Very low33Very low164 Ų164132.6 Ų132.677%0.76673%0.73SS**  trans82.4138172.6-57.5-150.97700117.9
664L36Very low32.8Very low126 Ų126132.3 Ų132.366%0.6673%0.728SS**  cis-155.7129.4-21.7-149.173.2000112.5
665T34.1Very low32.7Very low107 Ų107135.5 Ų135.566%0.65673%0.73SS**  trans49.8151.1146.556.50000126.9
666D37Very low32.5Very low137 Ų137136.5 Ų136.573%0.73373%0.731SS**  trans82.6137.3150.4-67.1-45.8000122.1
667S37Very low33.8Very low82 Ų82134.2 Ų134.257%0.57373%0.725SS**  cis-171.5147.1-23.9-114.40000112
668N34.4Very low34Very low143 Ų143133.3 Ų133.377%0.76572%0.722SS**  trans67157.3153-64.3-23.9000119.6
669T33.5Very low34.1Very low107 Ų107129.6 Ų129.666%0.65672%0.724SS**  cis-170130.2-11.329.90000109.3
670I32Very low34.2Very low141 Ų141127.3 Ų127.372%0.72373%0.727SS**  103.4142.5102.9-76.3179.4000117.5
671D34.6Very low34.1Very low152 Ų152131.1 Ų131.181%0.81374%0.74SS**  trans60.5161.7159-72.7-7.9000123.9
672A31.6Very low34.2Very low66 Ų66131 Ų13155%0.54574%0.744SS.*  cis-175.3163.7-34.500000111.8
673N30.2Very low34Very low152 Ų152130.4 Ų130.481%0.81375%0.746SS**  trans57119154.4-63-32.8000119.6
674S30.2Very low34Very low97 Ų97130.7 Ų130.768%0.67875%0.751SS**  76.712268.9-173.30000115.2
675Y32.2Very low33.6Very low224 Ų224129.4 Ų129.488%0.87875%0.748SS**  -172.5174.9124-118.6-99.7000113.7
676N30.2Very low33.3Very low140 Ų140131.3 Ų131.375%0.74975%0.754SS**  trans-91.8165.3-160.9-93.9-48.8000117.6
677P56.2Low32.9Very low109 Ų109129.1 Ų129.171%0.70875%0.749SS**  trans-82.4-177.216738.2-37000112.3
678P39Very low32.5Very low131 Ų131130.2 Ų130.285%0.85175%0.748SS**  -145.2178.8117.339.2-24.8000115.8
679A32.2Very low32.3Very low97 Ų97127.2 Ų127.280%0.80274%0.736SS**  trans-85.2169.6-17200000115.9
680S32.4Very low32.3Very low122 Ų122126.4 Ų126.485%0.85374%0.735SS**  trans-155.3154139.338.50000112.1
681L26.5Very low32.3Very low163 Ų163122.5 Ų122.585%0.85372%0.72SS**  trans-85.5163-178.8-66.5150000111.3
682T33.4Very low32Very low135 Ų135120.8 Ų120.883%0.82872%0.715SS**  -176145120.6-73.40000109.8
683L27.5Very low31.9Very low144 Ų144124.7 Ų124.775%0.75473%0.727SS**  trans-85.6158.1174.6-58.192.3000111.3
684I33.6Very low31.8Very low170 Ų170122.5 Ų122.587%0.87272%0.719SS**  trans-164.1157.8132-99.5149.3000108.6
685T27.8Very low32Very low99 Ų99124.9 Ų124.961%0.60773%0.729SS**  trans-116.2176.8-161560000113.3
686N27.4Very low32Very low147 Ų147118.1 Ų118.179%0.78672%0.719SS**  trans71.5142.3155.8-63.3-4.6000117.4
687S28.9Very low32.2Very low90 Ų90117.2 Ų117.263%0.62972%0.724SS**  cis-173.2173.1-11.339.90000111.1
688I29.7Very low31Very low106 Ų106118.9 Ų118.954%0.54473%0.732SS.*  trans75.1102.3147.7-74160.6000119.8E162E162-I688 HydrophobicContact CG-CB 4.32Å; E162-I688 HydrophobicContact CG-CG1 4.4Å; E162-I688 HydrophobicContact CG-CG2 4.13Å; E162-I688 VanDerWaalsContact OE2-C 3.25Å; E162-I688 WeakPolarHBondContact OE2-CG2 3.3Å
689P30Very low30.8Very low79 Ų79122.6 Ų122.651%0.51374%0.735SS.*  trans-106.6107.5169.931.2-29.5000120.8E162 C163E162-P689 CarbonylContact C-O 3.54Å; E162-P689 WeakPolarHBondContact CA-O 3.39Å; E162-P689 HydrophobicContact CB-CB 4.48Å; E162-P689 VanDerWaalsContact CB-CD 3.4Å; E162-P689 HydrophobicContact CB-CG 3.74Å; E162-P689 WeakPolarHBondContact CB-O 3.25Å; E162-P689 HydrophobicContact CG-CG 4.41Å; E162-P689 WeakPolarHBondContact OE2-CA 3.4Å; E162-P689 VanDerWaalsContact OE2-N 3.09Å; C163-P689 PolarHBondContact N-O 3.46Å
690S33.4Very low30.7Very low90 Ų90121.8 Ų121.863%0.62973%0.728SS**  trans-29.6115.8-17723.70000121.2E162E162-S690 WeakPolarHBondContact OE1-CA 3.48Å; E162-S690 WeakPolarHBondContact OE1-CB 3.43Å; E162-S690 PolarHBondContact OE1-OG 2.94Å; E162-S690 WeakPolarHBondContact OE2-CB 3.48Å; E162-S690 PolarHBondContact OE2-N 2.92Å; E162-S690 PolarHBondContact OE2-OG 3.24Å
691S31.8Very low30.6Very low59 Ų59124 Ų12441%0.41373%0.73SS.*  trans-70.4140.1171.464.70000116.7E162 C163E162-S691 PolarHBondContact OE1-N 3.28Å; C163-S691 VanDerWaalsContact SG-CB 3.57Å
692V28.6Very low30.9Very low117 Ų117122.5 Ų122.571%0.70972%0.722SS**  trans-73.4146.8176.2179.30000113.4
693N28.8Very low30.8Very low148 Ų148124.1 Ų124.179%0.79172%0.724SS**  trans-155.9163.6168.8-155.2-4.5000114.8
694V29.2Very low31Very low106 Ų106121 Ų12164%0.64273%0.726SS**  trans77.7106.5163.5-168.20000120.1A696V694-A696 HydrophobicContact CG1-CB 4.07Å
695V32.3Very low30.8Very low147 Ų147122.1 Ų122.189%0.89173%0.725SS**  -140.492.6129.5-178.70000106.1
696A32.6Very low30.9Very low81 Ų81124.2 Ų124.267%0.66973%0.732SS**  77104.873.500000114.9V694V694-A696 HydrophobicContact CG1-CB 4.07Å
697S34.8Very low31.1Very low122 Ų122125 Ų12585%0.85373%0.731SS**  trans-169.399.7141.2-170.70000111.5
698T31.8Very low31.1Very low144 Ų144125.1 Ų125.188%0.88373%0.732SS**  trans-137.2115.9164.4450000108
699K33.5Very low31.2Very low208 Ų208125.2 Ų125.290%0.90475%0.748SS**  trans-79.6141.3-179.3-165.2173.6-179.2-178.30110
700A30.5Very low31.3Very low80 Ų80124.5 Ų124.566%0.66176%0.755SS**  trans-38.2138.6-170.800000116.5
701N30.6Very low31.3Very low168 Ų168129.3 Ų129.390%0.89877%0.768SS**  trans-133134143.3-148.28.4000107.8
702I33.7Very low31.4Very low132 Ų132129.8 Ų129.868%0.67778%0.782SS**  trans-125.2122.9-169.3-70.6178.6000108.8
703I30.7Very low31.8Very low170 Ų170130.7 Ų130.787%0.87278%0.782SS**  trans45.2112.2157.3-54165.8000116.6
704G31.9Very low32Very low77 Ų77130 Ų13079%0.79478%0.779SS**  trans-172.4104.4164.900000110.6
705F28.8Very low32.3Very low195 Ų195132 Ų13286%0.85578%0.784SS**  trans-92.4166.8170.3-105.5-104.5000110.4
706D30.9Very low32.4Very low142 Ų142131.8 Ų131.876%0.75978%0.778SS**  trans84.2136.3156.1-70.9-41.9000122.8
707E30.3Very low32.5Very low164 Ų164133.2 Ų133.277%0.76678%0.778SS**  trans64.5112.5142.2-71.3-138.967.500123.7
708S29.2Very low32.2Very low93 Ų93132.8 Ų132.865%0.6577%0.766SS**  79.1114.8115.8-62.20000121.5
709A32Very low32.2Very low107 Ų107135.8 Ų135.888%0.88476%0.761SS**  trans68.2120.913600000120.8
710G32.9Very low32Very low64 Ų64132.5 Ų132.566%0.6675%0.752SS**  trans170.698.9156.300000115.7
711H33.4Very low32Very low192 Ų192134 Ų13489%0.88975%0.753SS**  trans9.2122.3148.8-43.192.7000117.1
712G34Very low31.9Very low68 Ų68134 Ų13470%0.70175%0.747SS**  117.4157.65800000108.3
713N36.2Very low31.6Very low136 Ų136132.4 Ų132.473%0.72775%0.748SS**  cis-145.1146.56.6-87.8-41000111
714N32.2Very low31.5Very low134 Ų134130.3 Ų130.372%0.71774%0.743SS**  trans35.3127.3135.3-43.4-31000119.8
715I36.7Very low31.3Very low148 Ų148133.4 Ų133.476%0.75974%0.741SS**  -171.4114.899.2-94.4158.8000111
716L33.5Very low31.3Very low143 Ų143130.2 Ų130.275%0.74973%0.733SS**  37.7136.2128.9-46.3171.4000119.2
717T34.7Very low31.4Very low110 Ų110129.8 Ų129.868%0.67573%0.73SS**  cis-166.21525.34.30000113.1
718N29.9Very low31.4Very low114 Ų114129.3 Ų129.361%0.6173%0.733SS**  21.2148.3127.7-77.4-49.7000120.7
719R31.7Very low31.4Very low206 Ų206128.3 Ų128.378%0.77774%0.737SS**  cis-155147.217.6-107.9143.1-170.7-179.3-2.2108.3
720I29.3Very low31.3Very low140 Ų140129.6 Ų129.672%0.71873%0.733SS**  59.4138.875.1-61.8171.8000113.3
721V29.5Very low31.2Very low111 Ų111133.3 Ų133.367%0.67374%0.737SS**  cis-178.8173.9-30.1116.40000108.3
722Q28.8Very low31Very low167 Ų167130.1 Ų130.178%0.7873%0.731SS**  trans71.7115.5161.8-881525.100122.1
723S27.3Very low30.9Very low100 Ų100131.4 Ų131.470%0.69973%0.729SS**  47.4141105.5-48.40000125
724T28.8Very low30.7Very low125 Ų125129.9 Ų129.977%0.76773%0.729SS**  trans87.7125.113534.10000124.7
725L28.5Very low30.8Very low143 Ų143132.3 Ų132.375%0.74974%0.736SS**  trans93.8120.1134.2-72.2166.1000124.3
726N28.2Very low30.6Very low128 Ų128129.4 Ų129.468%0.68473%0.734SS**  trans76127.5130.5-81.59.3000126.3
727L33Very low30.7Very low133 Ų133128 Ų12870%0.69673%0.734SS**  40.7128.8129.6-84.968.9000119.6
728N29.7Very low30.7Very low153 Ų153129.3 Ų129.382%0.81874%0.742SS**  -165.8167.160.4-88.5-61.4000112.4
729G30Very low30.6Very low72 Ų72129.7 Ų129.774%0.74275%0.748SS**  trans172.855.5172.700000120.7
730V29.5Very low30.6Very low134 Ų134126 Ų12681%0.81275%0.752SS**  trans10.5130.9146.5-140.30000118.4
731I30Very low30.5Very low143 Ų143128 Ų12873%0.73376%0.758SS**  -175.6125.587.6-91.3175.3000113.4
732T30.7Very low30.6Very low124 Ų124129.9 Ų129.976%0.76177%0.77SS**  trans44.9148.8148.865.10000123.4
733S31.9Very low30.4Very low96 Ų96127.7 Ų127.767%0.67177%0.768SS**  cis-171.5144.1-4.942.20000114.1
734S32Very low30.6Very low104 Ų104128.8 Ų128.873%0.72778%0.776SS**  trans67.7142.5150.584.30000117.5
735Q33.6Very low30.4Very low184 Ų184129.2 Ų129.286%0.8678%0.778SS**  cis-148.4169.45.8-66.7-174.939.700108.5
736A32.4Very low30.5Very low87 Ų87128.2 Ų128.272%0.71978%0.783SS**  cis-163.5161.7-28.700000108.4
737P35.8Very low30.5Very low114 Ų114127.2 Ų127.274%0.7478%0.782SS**  trans-123.9160.7-16341-28.9000117.5
738T34.2Very low30.4Very low138 Ų138128.5 Ų128.585%0.84778%0.784SS**  trans-157.598.9159-38.90000108.2
739V28.2Very low30.5Very low122 Ų122127.8 Ų127.874%0.73978%0.78SS**  66.8106.178-1790000114.5
740C31.5Very low30.5Very low128 Ų128132 Ų13287%0.86578%0.784SS**  -175.7147.2128.9-106.70000112.2
741H27Very low30.8Very low182 Ų182130.9 Ų130.984%0.84378%0.78SS**  trans-101.8154.2177.6-72.9-97.2000112.1
742T31.7Very low31Very low150 Ų150129.1 Ų129.192%0.9278%0.778SS**  trans-157155.5135.1-4.60000111.4
743V25.3Very low30.9Very low121 Ų121135.1 Ų135.173%0.73379%0.786SS**  trans-108139.6-176.41740000109.9
744S30.3Very low30.8Very low124 Ų124137 Ų13787%0.86779%0.789SS**  trans-157.1134.8154.1-81.20000110.2
745T25.8Very low30.6Very low133 Ų133137.7 Ų137.782%0.81679%0.794SS**  trans-101144.3-177.842.90000111.5
746S30.6Very low30.4Very low122 Ų122135.6 Ų135.685%0.85379%0.787SS**  trans-153.2152.9153.3-159.50000109.4
747T27.4Very low30Very low107 Ų107140.6 Ų140.666%0.65680%0.798SS**  trans-133.1168.4-16549.50000112.1
748H31.7Very low29.8Very low161 Ų161142.5 Ų142.575%0.74580%0.801SS**  trans71.2147.7175.5-62.6-77.2000115.9
749N31.3Very low29.5Very low138 Ų138141.4 Ų141.474%0.73880%0.799SS**  cis-145146.40.5-118.7-18.9000111.2
750I30.5Very low29.7Very low160 Ų160145.9 Ų145.982%0.82180%0.804SS**  trans-110120.4178.4-58.9171.7000109.3
751P34.7Very low29.9Very low110 Ų110145.9 Ų145.971%0.71480%0.802SS**  trans-79.7143.6173.831.4-32.9000112
752P34.1Very low30.4Very low107 Ų107143.6 Ų143.670%0.69579%0.786SS**  trans-78.8141.8-172.431-35.7000113.9N754P752-N754 PolarHBondContact O-N 2.91Å; P752-N754 VanDerWaalsContact O-N 3.11Å
753R28.6Very low30.4Very low250 Ų250140.1 Ų140.194%0.94378%0.78SS**  trans-88.266.6-174.8-164.7174.2-174.9149.61.6112.4S755R753-S755 PolarHBondContact O-N 3.48Å; R753-S755 VanDerWaalsContact O-N 3.12Å
754N30.6Very low30.9Very low135 Ų135137.4 Ų137.472%0.72278%0.777SS**  trans-70.3104-176.4-74.93.6000112.8P752 I756P752-N754 PolarHBondContact O-N 2.91Å; P752-N754 VanDerWaalsContact O-N 3.11Å; N754-I756 PolarHBondContact O-N 2.92Å
755S26.7Very low31Very low119 Ų119138.6 Ų138.683%0.83278%0.779SS**  trans-77.2106.1177.354.80000112.5R753R753-S755 PolarHBondContact O-N 3.48Å; R753-S755 VanDerWaalsContact O-N 3.12Å
756I30.2Very low31.5Very low140 Ų140139.5 Ų139.572%0.71877%0.774SS**  trans-92111.7176.8-57.4179.1000110.4N754 L758N754-I756 PolarHBondContact O-N 2.92Å; I756-L758 HydrophobicContact CG2-CG 4.17Å; I756-L758 PolarHBondContact O-N 3.44Å; I756-L758 VanDerWaalsContact O-N 3.08Å
757M24.5Very low31.6Very low191 Ų191141.7 Ų141.794%0.94177%0.773SS**  trans-72.294.8168.7-85.2174.249.900111.2
758L30.3Very low31.8Very low155 Ų155143.3 Ų143.381%0.81278%0.777SS**PPolyproline II helixtrans-83.5135.5167-80.8164.1000110.9I756I756-L758 HydrophobicContact CG2-CG 4.17Å; I756-L758 PolarHBondContact O-N 3.44Å; I756-L758 VanDerWaalsContact O-N 3.08Å
759S29Very low31.7Very low115 Ų115141 Ų14180%0.80477%0.77SS**PPolyproline II helixtrans-95.4127.3-176.227.40000111.5
760Y31.6Very low31.7Very low215 Ų215141.7 Ų141.784%0.84377%0.773SS**PPolyproline II helixtrans-54.8136.8-171.8-72.7-97.8000115
761P36Very low31.6Very low128 Ų128140.2 Ų140.283%0.83177%0.766SS**PPolyproline II helixtrans-65.3150.1157.731.5-33.9000110
762R36.6Very low31.6Very low135 Ų135140.2 Ų140.251%0.50976%0.764SS.*  trans-128.180.7-163.7-158.6176.3-170.4151.4-0114.1H1014R762-H1014 PolarHBondContact NH2-NE2 3.49Å
763G32.8Very low31.7Very low76 Ų76141.2 Ų141.278%0.78477%0.771SS**  trans94.2102.4160.300000115.5
764G36.6Very low31.9Very low65 Ų65134.1 Ų134.167%0.6777%0.765SS**  trans-164.5132.4165.400000107.5E766G764-E766 PolarHBondContact O-N 2.89Å
765T32.2Very low31.9Very low148 Ų148133 Ų13391%0.90877%0.768SS**  trans-98.766.5-17047.50000111.3
766E35.9Very low32.1Very low153 Ų153132.1 Ų132.172%0.71577%0.768SS**  trans-132.9105.7-172.8-72167.1-139.100111.1G764 N768G764-E766 PolarHBondContact O-N 2.89Å; E766-N768 PolarHBondContact O-N 3.5Å; E766-N768 PolarHBondContact O-ND2 2.86Å; E766-N768 VanDerWaalsContact O-ND2 3.13Å
767M31.3Very low32.1Very low168 Ų168133.1 Ų133.183%0.82877%0.769SS**  trans-70.8107.6167.5-68.8-167.4-62.900108.9L769M767-L769 PolarHBondContact O-N 3.18Å
768N32.9Very low32.4Very low141 Ų141128.7 Ų128.775%0.75476%0.763SS**  trans-82.994.8177.1-81.5-102.1000109.4E766 L770E766-N768 PolarHBondContact O-N 3.5Å; E766-N768 PolarHBondContact O-ND2 2.86Å; E766-N768 VanDerWaalsContact O-ND2 3.13Å; N768-L770 PolarHBondContact O-N 3.49Å; N768-L770 VanDerWaalsContact O-N 3.11Å
769L29.4Very low32.5Very low113 Ų113130.7 Ų130.759%0.59277%0.766SS**  trans-74.292.6175.3-115.5162.7000109.6A409 M767 L771A409-L769 HydrophobicContact CB-CD1 4.28Å; M767-L769 PolarHBondContact O-N 3.18Å; L769-L771 HydrophobicContact CB-CD1 4.17Å; L769-L771 HydrophobicContact CD2-CD1 3.87Å; L769-L771 PolarHBondContact O-N 3.39Å; L769-L771 VanDerWaalsContact O-N 3.17Å
770L30.3Very low32.4Very low152 Ų152128.7 Ų128.780%0.79676%0.764SS**  trans-81.389.5177.2-167.186.3000110.3N768 T772N768-L770 PolarHBondContact O-N 3.49Å; N768-L770 VanDerWaalsContact O-N 3.11Å; L770-T772 HydrophobicContact CD2-CG2 4.2Å; L770-T772 PolarHBondContact O-N 2.89Å
771L30Very low32.4Very low128 Ų128124.9 Ų124.967%0.6776%0.763SS**  trans-74.8102.7169.9-78.378.1000109.7L769L769-L771 HydrophobicContact CB-CD1 4.17Å; L769-L771 HydrophobicContact CD2-CD1 3.87Å; L769-L771 PolarHBondContact O-N 3.39Å; L769-L771 VanDerWaalsContact O-N 3.17Å
772T35Very low32.3Very low110 Ų110123.7 Ų123.768%0.67576%0.757SS**PPolyproline II helixtrans-79.3124.9164.150.70000109.7L770 A774L770-T772 HydrophobicContact CD2-CG2 4.2Å; L770-T772 PolarHBondContact O-N 2.89Å; T772-A774 PolarHBondContact O-N 2.95Å
773P35.8Very low32.2Very low129 Ų129125.6 Ų125.684%0.83877%0.772SS**PPolyproline II helixtrans-60.3132.4172.9-22.533.9000111.4
774A32Very low32.2Very low100 Ų100129 Ų12983%0.82677%0.772SS**PPolyproline II helixtrans-75.3151.5174.500000111.2T772T772-A774 PolarHBondContact O-N 2.95Å
775S30.4Very low32.1Very low112 Ų112132 Ų13278%0.78378%0.777SS**PPolyproline II helixtrans-62.8132.1-168-50.90000114.7
776A31.5Very low32.4Very low101 Ų101130.4 Ų130.484%0.83577%0.769SS**PPolyproline II helixtrans-77.3134.6154.700000109.5
777H29.1Very low32.3Very low160 Ų160131.4 Ų131.474%0.74178%0.778SS**PPolyproline II helixtrans-84.6135.4176.3-82.1-95.1000111.7
778A32.6Very low32.3Very low99 Ų99129.6 Ų129.682%0.81878%0.777SS**  trans-143.7103.2158.500000109.3
779F31.1Very low32.4Very low196 Ų196127.7 Ų127.786%0.8678%0.781SS**  trans-80.5131.2166.7-86-90.4000108.8
780G28.3Very low32.6Very low74 Ų74128.8 Ų128.876%0.76379%0.792SS**  trans-148.481.8-172.900000114.2
781T31.7Very low32.8Very low134 Ų134127 Ų12782%0.82279%0.789SS**  trans-151.4138.1167.648.70000107.8
782S33.8Very low33Very low103 Ų103125.5 Ų125.572%0.7280%0.795SS**  cis-168.2152.33.844.50000111
783H32.6Very low32.8Very low176 Ų176124.7 Ų124.782%0.81580%0.8SS**  trans44.3117.4151.6-100.7-108.4000120.3
784L34.8Very low32.7Very low148 Ų148126.5 Ų126.578%0.77580%0.801SS**  171105.8113.3-91167.6000113.5
785T33.7Very low32.5Very low128 Ų128126.3 Ų126.379%0.78579%0.794SS**  trans47.5155.4137.842.70000123.8
786P37.8Very low32.6Very low113 Ų113130.4 Ų130.473%0.73480%0.798SS**  trans-116.2169.7-150.342.5-33.7000116.5
787L35Very low32.6Very low175 Ų175134.4 Ų134.492%0.91680%0.799SS**  trans-134.3150.4156.4-102.8102.9000113.6
788T30.7Very low32.6Very low130 Ų130130.6 Ų130.680%0.79880%0.803SS**  trans-81.9151-174.546.90000115.2
789A34.2Very low32.7Very low101 Ų101133.5 Ų133.584%0.83580%0.804SS**  167.5110.512400000115.5
790V33.9Very low33Very low136 Ų136129.7 Ų129.782%0.82480%0.799SS**  trans-59.5159.5154.6152.50000110.9
791P35.7Very low33.3Very low114 Ų114131.6 Ų131.674%0.7480%0.796SS**  cis-141.8155.730.623.72.8000121.7
792A33.2Very low33.3Very low96 Ų96130 Ų13079%0.79379%0.79SS**  25.7161.2126.100000126.4
793A30.6Very low33.2Very low93 Ų93133.3 Ų133.377%0.76980%0.795SS**  trans77.7139.6170.700000115.8
794L33.2Very low33Very low168 Ų168130.3 Ų130.388%0.8879%0.793SS**  cis-133.9171.523.5-75.4161.4000113.5
795S28.3Very low32.9Very low95 Ų95130.3 Ų130.366%0.66480%0.799SS**  trans-134.1144.6170.3175.40000110
796F33.6Very low32.5Very low199 Ų199129.4 Ų129.487%0.87380%0.799SS**  trans-153.4149.9160-98.6-69.4000111.8
797Q29.9Very low32.1Very low184 Ų184132.6 Ų132.686%0.8681%0.808SS**  trans-102.7158.6-175.5-64.4138.5-91.500111.9
798G30.8Very low31.7Very low80 Ų80130 Ų13083%0.82580%0.8SS**  trans-172.184.1176.500000114.9
799L34.5Very low31.5Very low161 Ų161131.1 Ų131.184%0.84380%0.801SS**  trans-86171.2164.1-92.1143.6000109.2
800P37.7Very low31.2Very low116 Ų116132.9 Ų132.975%0.75380%0.801SS**  cis-146.2-176.133.643.4-22.2000119
801T33.8Very low31Very low114 Ų114131.4 Ų131.470%0.69980%0.797SS**  trans-49157.8166.954.30000114
802S32Very low31.3Very low99 Ų99132.2 Ų132.269%0.69280%0.802SS**  169.517876.153.60000108.7
803Q31.6Very low31.3Very low174 Ų174133.5 Ų133.581%0.81380%0.8SS**  cis-133.9-132.813.4-57.6177.14.100110.8
804S28.3Very low31.4Very low112 Ų112136.1 Ų136.178%0.78380%0.8SS**  trans-156152.1170.1-54.40000109
805T32.7Very low31.4Very low148 Ų148134 Ų13491%0.90879%0.789SS**  trans-150.7131.2166.9-2.30000110.9
806S24.7Very low31.7Very low110 Ų110137 Ų13777%0.76979%0.792SS**  trans-97133.7174.651.50000110.4
807L30.6Very low31.6Very low179 Ų179133.2 Ų133.294%0.93779%0.785SS**  trans-137.5156159.2-80.2-178.5000110.8
808T25.7Very low32.1Very low122 Ų122129.7 Ų129.775%0.74878%0.778SS**  trans-118.5164.1-160.6-15.60000111.5
809L25.9Very low32.3Very low153 Ų153131.5 Ų131.580%0.80177%0.773SS**  trans61.2115.2159-60.9164.5000117.3
810T29.7Very low32.2Very low138 Ų138129.5 Ų129.585%0.84777%0.768SS**  173.7152.710033.40000110.8
811S29.7Very low31.8Very low105 Ų105128.6 Ų128.673%0.73476%0.764SS**  trans-95.4156.8168.4-51.90000110.6
812P41Very low31.7Very low130 Ų130129 Ų12984%0.84477%0.767SS**  trans-101.4116.2141-9.628.1000110.1
813V32.6Very low31.6Very low124 Ų124130.5 Ų130.575%0.75277%0.771SS**  trans-80.4-173149.8177.50000106.8
814L33.6Very low31.6Very low147 Ų147130 Ų13077%0.7777%0.773SS**  trans94.4133.4173.2-47.9-175.5000114.2
815L32.3Very low31.7Very low125 Ų125132.6 Ų132.665%0.65477%0.772SS**  cis-157167.1-5.1-114.7174.4000113.5
816H34.7Very low31.7Very low158 Ų158133.1 Ų133.173%0.73177%0.77SS**  trans63.9104.6154.4-75-53.2000122.8
817T32.9Very low32Very low118 Ų118134.8 Ų134.872%0.72478%0.775SS**  trans-54.4-176.413557.40000112.4
818P39.1Very low32.1Very low110 Ų110130 Ų13071%0.71477%0.769SS**  cis-142.5-151.312.533-5.5000115
819V35.4Very low32.5Very low118 Ų118128.2 Ų128.272%0.71577%0.767SS**  trans75.999.3166.2-169.40000114.9
820T31.5Very low32.7Very low120 Ų120128.4 Ų128.474%0.73677%0.767SS**  72.6140.954.475.80000116.8
821S31Very low32.7Very low97 Ų97125.8 Ų125.868%0.67876%0.755SS**  trans84.5100.9156.7-54.30000120.6
822T30.4Very low32.8Very low123 Ų123128.8 Ų128.876%0.75576%0.757SS**  58.3125.4126.1590000122.3
823V29.3Very low32.4Very low129 Ų129129 Ų12978%0.78275%0.75SS**  trans58.9117.9130.6-177.80000118.5
824I32.7Very low32.5Very low165 Ų165128.4 Ų128.485%0.84675%0.746SS**  -166.6144.7125.5-100.4153.8000108.9
825Q31.2Very low32.5Very low165 Ų165127 Ų12777%0.77174%0.744SS**  trans-87.9154172.2-60.5160.1-68.600109.6
826N32.3Very low32.4Very low159 Ų159126.4 Ų126.485%0.8575%0.746SS**  -179.5151.9116.7-90.4-16.3000113.6
827T30.6Very low32.2Very low145 Ų145124.4 Ų124.489%0.8975%0.745SS**  trans-107.5159.1171.143.40000110.8
828G33Very low32.2Very low79 Ų79125.7 Ų125.781%0.81475%0.747SS**  trans113.6149.5178.500000112.4
829A33.3Very low31.6Very low84 Ų84125 Ų12569%0.69475%0.745SS**  cis-144.3154.9-6.800000108.6
830I29.7Very low31.2Very low157 Ų157129 Ų12981%0.80575%0.749SS**  30.2124.493.5-8.6174.4000112.5
831S29.7Very low31.1Very low84 Ų84130.4 Ų130.459%0.58775%0.749SS**  cis-156.8179.633.7-50.80000114.8
832E32.2Very low31Very low167 Ų167131.4 Ų131.478%0.7875%0.75SS**  trans77.2143.3149.1-74.5154.1-120.700118.1
833I33.7Very low31.4Very low135 Ų135130.6 Ų130.669%0.69275%0.748SS**  cis-152.8154.620.3-132.5154.6000112.6
834T34.4Very low31.4Very low111 Ų111128.5 Ų128.568%0.68174%0.739SS**  trans60.1114.8162.349.60000123.9
835T32.5Very low31.2Very low118 Ų118126.7 Ų126.772%0.72474%0.735SS**  41.6143.412065.60000122.4
836T31.9Very low31.3Very low112 Ų112124.9 Ų124.969%0.68774%0.736SS**  cis-170.2143.90.717.70000112.5
837T30.1Very low31.3Very low116 Ų116121.7 Ų121.771%0.71273%0.726SS**  trans62.1154145620000123
838N31.9Very low31.2Very low146 Ų146123.7 Ų123.778%0.78172%0.723SS**  trans72.665.8152.4-61.2-7.7000120.1
839S27.5Very low31.1Very low96 Ų96125.3 Ų125.367%0.67171%0.713SS**  24.7136.6105.2-143.10000120.7
840Y26.6Very low31.1Very low202 Ų202128 Ų12879%0.79271%0.711SS**  trans82.5146.5161.7-69.3-72.1000121.2
841M28.5Very low31.3Very low148 Ų148126.4 Ų126.473%0.72971%0.709SS**  trans77.7133.7179-53.3-65.196.300115.4
842V30Very low31.4Very low118 Ų118126.5 Ų126.572%0.71571%0.709SS**  cis77.4139.532.6-179.20000110.9
843P37.9Very low31.5Very low107 Ų107126.4 Ų126.470%0.69571%0.708SS**  cis-138.8-165.7728.1-1.3000116.7
844S29.2Very low31.5Very low85 Ų85127.9 Ų127.959%0.59471%0.71SS**  81.2131.9124.658.70000126.3
845T29.5Very low31.4Very low127 Ų127127.1 Ų127.178%0.77971%0.705SS**  trans71.3158.5134.554.60000120.6
846T32.2Very low31.3Very low126 Ų126128.2 Ų128.277%0.77371%0.707SS**  cis-101.5-152.60.749.60000111.7
847S33Very low31.5Very low93 Ų93132 Ų13265%0.6571%0.713SS**  cis-148.1174.23.6-42.50000108.5
848F28.4Very low31.5Very low186 Ų186132.1 Ų132.182%0.81671%0.714SS**  cis76.2127.617.1-77.7-99.3000116.4
849D30.8Very low31.1Very low113 Ų113132.3 Ų132.360%0.60472%0.715SS**  cis-163-177.5-1.7-148.16.3000108.1
850Q34Very low31.1Very low141 Ų141132.9 Ų132.966%0.65971%0.714SS**  cis-161.5174.34.1-161.1175.5100.800110.4
851T33Very low31.2Very low124 Ų124132.9 Ų132.976%0.76171%0.714SS**  trans76.6143.616170.90000118.6
852S32Very low31.2Very low86 Ų86131.1 Ų131.160%0.60171%0.711SS**  cis-163.5125.6-6.8143.40000112.7
853H34.5Very low31.3Very low164 Ų164130.5 Ų130.576%0.75971%0.708SS**  trans57.7149.1139.3-57-38.1000121.3
854K33Very low31.1Very low166 Ų166132.9 Ų132.972%0.72271%0.71SS**  cis-165.1151.8-2-126.1-178177.1173.40113.1
855T33.8Very low31.4Very low95 Ų95133.3 Ų133.358%0.58371%0.713SS**  trans34.6110.3142.360.40000118.8
856D29.6Very low31.6Very low141 Ų141132.3 Ų132.375%0.75471%0.712SS**  96.3158.978.7-75.8-46.2000113.9
857K35.8Very low31.8Very low191 Ų191131 Ų13183%0.8371%0.707SS**  trans84.2155.5164.7-56.8166.3-171.4170.40117.1
858T29.7Very low31.8Very low119 Ų119135.6 Ų135.673%0.7372%0.716SS**  cis-173.3122.8-26.8-870000106.6
859L25.1Very low32Very low151 Ų151133.1 Ų133.179%0.79172%0.716SS**  trans51.3132.6144-138.680.2000122
860T27.4Very low31.9Very low108 Ų108133.4 Ų133.466%0.66372%0.722SS**  trans82.7145.9137.428.90000125.3
861Y27.8Very low31.9Very low201 Ų201131 Ų13179%0.78872%0.72SS**  trans75.8132.8162-83.2-127.2000117.4
862V29.5Very low31.8Very low111 Ų111132.2 Ų132.267%0.67372%0.722SS**  cis80.8138.141.5174.70000111.4
863T30.2Very low31.8Very low106 Ų106133.6 Ų133.665%0.6573%0.731SS**  cis-106.5-134.48.7-190000113
864E35.3Very low31.8Very low156 Ų156131.1 Ų131.173%0.72973%0.732SS**  cis-152.2139.90.1-130.8119.7-10800107.9
865S34.2Very low31.7Very low95 Ų95132.6 Ų132.666%0.66474%0.742SS**  60.6144.488.3-53.60000116.6
866S34.5Very low31.5Very low106 Ų106132.3 Ų132.374%0.74175%0.749SS**  cis-179164.2-12-94.60000109.1
867S36.7Very low31.7Very low98 Ų98131.6 Ų131.669%0.68575%0.752SS**  cis-178.4154.5-23.662.80000111.3
868K31.6Very low31.4Very low190 Ų190129.2 Ų129.283%0.82675%0.754SS**  trans71.1133.2147.7-167.9-177.3-176.1-179.20120.9
869V33.2Very low31.7Very low134 Ų134128.4 Ų128.481%0.81275%0.753SS**  176.3150.4127.4149.10000113.6
870T30Very low32.1Very low119 Ų119127.2 Ų127.273%0.7376%0.758SS**  trans-91.3172.3-177.733.80000113.6
871S32.2Very low32.7Very low89 Ų89126.3 Ų126.362%0.62276%0.755SS**  cis-176.8174-1.942.10000111.7
872N32.1Very low33.5Very low151 Ų151121.9 Ų121.981%0.80775%0.745SS**  trans97.8126.5150.7-64.4-15.4000122.3
873S31.9Very low34.7Very low114 Ų114121.4 Ų121.480%0.79775%0.745SS**  trans63.5144145.3-137.40000119.5
874S35Very low36.1Very low112 Ų112120.7 Ų120.778%0.78374%0.741SS**  cis-142.5175.818.8-61.70000113.3
875Q30.3Very low37.5Very low198 Ų198117.2 Ų117.293%0.92573%0.73SS**  trans-86.3149.1-167.4-61.9165.2-30.400116.1
876A30.1Very low39.2Very low89 Ų89114.8 Ų114.874%0.73671%0.713SS**  trans-148.3138.7139.900000108.6
877P33.5Very low40.9Very low126 Ų126111.9 Ų111.982%0.81870%0.695SS**  trans-86.6125.1-165.931.9-34.5000114.2S879P877-S879 PolarHBondContact O-N 3.11Å
878T29.9Very low42.9Very low140 Ų140112.1 Ų112.186%0.85969%0.688SS**  trans-84.993.416940.90000111.2S880T878-S880 PolarHBondContact O-N 3.48Å; T878-S880 VanDerWaalsContact O-N 3.12Å
879S34.7Very low44.9Very low102 Ų102107.6 Ų107.671%0.71367%0.673SS**  trans-75.596.5174.642.90000112P877 S881P877-S879 PolarHBondContact O-N 3.11Å; S879-S881 PolarHBondContact O-N 2.78Å; S879-S881 VanDerWaalsContact O-N 3.09Å; S879-S881 PolarHBondContact O-OG 2.71Å
880S33.9Very low46.7Very low127 Ų127109.6 Ų109.689%0.88867%0.665SS**  trans-57.6112.3166.854.40000110T878T878-S880 PolarHBondContact O-N 3.48Å; T878-S880 VanDerWaalsContact O-N 3.12Å
881S40.1Very low49Very low88 Ų88108.7 Ų108.762%0.61566%0.655SS**  trans-130.2138179.443.80000109.8S879S879-S881 PolarHBondContact O-N 2.78Å; S879-S881 VanDerWaalsContact O-N 3.09Å; S879-S881 PolarHBondContact O-OG 2.71Å
882D44.2Very low51.3Low108 Ų108109.1 Ų109.158%0.57865%0.65SS**  trans-60.3144.8-171.2-77-65.7000113.3T884 T885 S886D882-T884 PolarHBondContact O-N 3.19Å; D882-T885 PolarHBondContact O-N 3.49Å; D882-S886 PolarHBondContact O-N 3.34Å
883P55.9Low53.4Low102 Ų102107.5 Ų107.566%0.66264%0.638SS**Hα-helixtrans-61.9-28.2178.426.2-34.6000112.2A887P883-A887 VanDerWaalsContact O-CB 3.25Å; P883-A887 WeakPolarHBondContact O-CB 3.16Å; P883-A887 PolarHBondContact O-N 3.24Å
884T59.7Low55.5Low91 Ų91106.3 Ų106.356%0.55863%0.626SS**Hα-helixtrans-65.7-43.2171.939.60000112.3D882 A887 I888D882-T884 PolarHBondContact O-N 3.19Å; T884-A887 PolarHBondContact O-N 3.45Å; T884-I888 VanDerWaalsContact O-CG1 3.32Å; T884-I888 WeakPolarHBondContact O-CG1 3.48Å; T884-I888 PolarHBondContact O-N 3.41Å
885T64.1Low57.5Low82 Ų82105.1 Ų105.150%0.50361%0.61SS.*Hα-helixtrans-65.2-43.3174.9-55.90000110.7D882 A887 I888 D889D882-T885 PolarHBondContact O-N 3.49Å; T885-A887 VanDerWaalsContact C-N 3.33Å; T885-A887 PolarHBondContact O-N 2.94Å; T885-I888 PolarHBondContact O-N 3.04Å; T885-D889 WeakPolarHBondContact O-CB 3.46Å; T885-D889 PolarHBondContact O-N 2.95Å
886S70.4Confident59.6Low45 Ų45102.6 Ų102.632%0.31560%0.596SS.*Hα-helixtrans-64.2-35.5174-167.20000112.6D882 R890D882-S886 PolarHBondContact O-N 3.34Å; S886-R890 VanDerWaalsContact O-CB 3.32Å; S886-R890 WeakPolarHBondContact O-CB 3.34Å; S886-R890 WeakPolarHBondContact O-CG 3.31Å; S886-R890 PolarHBondContact O-N 3.1Å; S886-R890 PolarHBondContact OG-NE 2.75Å
887A69.8Low61.4Low44 Ų4499.9 Ų99.936%0.36458%0.576SS.*Hα-helixtrans-68.4-44175.800000112.2P883 T884 T885 R890 I891P883-A887 VanDerWaalsContact O-CB 3.25Å; P883-A887 WeakPolarHBondContact O-CB 3.16Å; P883-A887 PolarHBondContact O-N 3.24Å; T884-A887 PolarHBondContact O-N 3.45Å; T885-A887 VanDerWaalsContact C-N 3.33Å; T885-A887 PolarHBondContact O-N 2.94Å; A887-R890 PolarHBondContact O-N 2.97Å; A887-I891 WeakPolarHBondContact O-CB 3.44Å; A887-I891 WeakPolarHBondContact O-CD1 3.37Å; A887-I891 VanDerWaalsContact O-CG1 3.25Å; A887-I891 WeakPolarHBondContact O-CG1 3.35Å; A887-I891 PolarHBondContact O-N 3.41Å
888I78.3Confident62.5Low103 Ų10397.8 Ų97.853%0.52856%0.564SS.*Hα-helixtrans-62.9-45.7175.1-69165.7000110.3T884 T885 R890 I891 L892T884-I888 VanDerWaalsContact O-CG1 3.32Å; T884-I888 WeakPolarHBondContact O-CG1 3.48Å; T884-I888 PolarHBondContact O-N 3.41Å; T885-I888 PolarHBondContact O-N 3.04Å; I888-R890 PolarHBondContact O-N 3.01Å; I888-I891 PolarHBondContact O-N 2.81Å; I888-L892 HydrophobicContact CG2-CD1 4Å; I888-L892 HydrophobicContact CG2-CG 4.42Å; I888-L892 WeakPolarHBondContact O-CG 3.32Å; I888-L892 PolarHBondContact O-N 3.11Å
889D73.1Confident63.4Low95 Ų9597.3 Ų97.351%0.50855%0.553SS.*Hα-helixtrans-66.1-39179.5-162.750.5000111.5T885 I891 L892 Q893T885-D889 WeakPolarHBondContact O-CB 3.46Å; T885-D889 PolarHBondContact O-N 2.95Å; D889-I891 PolarHBondContact O-N 3.27Å; D889-L892 PolarHBondContact O-N 3.35Å; D889-Q893 VanDerWaalsContact O-CB 3.28Å; D889-Q893 WeakPolarHBondContact O-CB 3.23Å; D889-Q893 PolarHBondContact O-N 2.98Å
890R72Confident64.4Low176 Ų17695.8 Ų95.866%0.66454%0.543SS*.Hα-helixtrans-59.1-45.5169.1-75.2171.7-161.9-149.13.2112.1S886 A887 I888 L892 Q893 T894S886-R890 VanDerWaalsContact O-CB 3.32Å; S886-R890 WeakPolarHBondContact O-CB 3.34Å; S886-R890 WeakPolarHBondContact O-CG 3.31Å; S886-R890 PolarHBondContact O-N 3.1Å; S886-R890 PolarHBondContact OG-NE 2.75Å; A887-R890 PolarHBondContact O-N 2.97Å; I888-R890 PolarHBondContact O-N 3.01Å; R890-L892 VanDerWaalsContact C-N 3.34Å; R890-L892 PolarHBondContact O-N 3.26Å; R890-Q893 PolarHBondContact O-N 3.44Å; R890-T894 WeakPolarHBondContact O-CB 3.35Å; R890-T894 PolarHBondContact O-N 3.45Å; R890-T894 PolarHBondContact O-OG1 3.06Å
891I78.8Confident64.9Low101 Ų10192 Ų9252%0.51852%0.519SS..Hα-helixtrans-61.9-42.6177.5-71.4163.2000110.7A887 I888 D889 T894 I895A887-I891 WeakPolarHBondContact O-CB 3.44Å; A887-I891 WeakPolarHBondContact O-CD1 3.37Å; A887-I891 VanDerWaalsContact O-CG1 3.25Å; A887-I891 WeakPolarHBondContact O-CG1 3.35Å; A887-I891 PolarHBondContact O-N 3.41Å; I888-I891 PolarHBondContact O-N 2.81Å; D889-I891 PolarHBondContact O-N 3.27Å; I891-T894 PolarHBondContact O-N 3.36Å; I891-I895 HydrophobicContact CG2-CD1 3.83Å; I891-I895 VanDerWaalsContact O-CG1 3.27Å; I891-I895 WeakPolarHBondContact O-CG1 3.39Å; I891-I895 PolarHBondContact O-N 3.21Å
892L80Confident64.9Low98 Ų9891.5 Ų91.551%0.51352%0.516SS..Hα-helixtrans-65.4-40.6175-69.4172.8000111.9I888 D889 R890 I895 K896I888-L892 HydrophobicContact CG2-CD1 4Å; I888-L892 HydrophobicContact CG2-CG 4.42Å; I888-L892 WeakPolarHBondContact O-CG 3.32Å; I888-L892 PolarHBondContact O-N 3.11Å; D889-L892 PolarHBondContact O-N 3.35Å; R890-L892 VanDerWaalsContact C-N 3.34Å; R890-L892 PolarHBondContact O-N 3.26Å; L892-I895 PolarHBondContact O-N 3.24Å; L892-K896 WeakPolarHBondContact O-CB 3.38Å; L892-K896 PolarHBondContact O-N 3.11Å
893Q75.4Confident64.8Low116 Ų11690.3 Ų90.354%0.54252%0.52SS..Hα-helixtrans-64.6-38.4175.3-153.582-54.400111.3D889 R890 G897D889-Q893 VanDerWaalsContact O-CB 3.28Å; D889-Q893 WeakPolarHBondContact O-CB 3.23Å; D889-Q893 PolarHBondContact O-N 2.98Å; R890-Q893 PolarHBondContact O-N 3.44Å; Q893-G897 PolarHBondContact O-N 3.04Å
894T76.8Confident64.2Low89 Ų8991.8 Ų91.855%0.54652%0.523SS..Hα-helixtrans-67-47.3173.3-58.70000111.3R890 I891 K896 G897 C898R890-T894 WeakPolarHBondContact O-CB 3.35Å; R890-T894 PolarHBondContact O-N 3.45Å; R890-T894 PolarHBondContact O-OG1 3.06Å; I891-T894 PolarHBondContact O-N 3.36Å; T894-K896 VanDerWaalsContact C-N 3.34Å; T894-K896 PolarHBondContact O-N 2.92Å; T894-G897 PolarHBondContact O-N 3.07Å; T894-C898 WeakPolarHBondContact O-CB 3.49Å; T894-C898 PolarHBondContact O-N 3.38Å; T894-C898 PolarHBondContact O-SG 2.97Å
895I77.2Confident63.2Low88 Ų8897.4 Ų97.445%0.45153%0.534SS..Hα-helixtrans-59.3-46.8176.5-70.2164.8000110.4I891 L892 C898 M899I891-I895 HydrophobicContact CG2-CD1 3.83Å; I891-I895 VanDerWaalsContact O-CG1 3.27Å; I891-I895 WeakPolarHBondContact O-CG1 3.39Å; I891-I895 PolarHBondContact O-N 3.21Å; L892-I895 PolarHBondContact O-N 3.24Å; I895-C898 PolarHBondContact O-N 3.01Å; I895-M899 HydrophobicContact CG2-SD 4.04Å; I895-M899 VanDerWaalsContact O-CG 3.31Å; I895-M899 WeakPolarHBondContact O-CG 3.4Å; I895-M899 PolarHBondContact O-N 3.48Å
896K73.2Confident62Low145 Ų145100.9 Ų100.963%0.6355%0.55SS*.Hα-helixtrans-62.7-42.1177.2-169.6174.9-177.6-178.80111.7L892 T894 M899 S900L892-K896 WeakPolarHBondContact O-CB 3.38Å; L892-K896 PolarHBondContact O-N 3.11Å; T894-K896 VanDerWaalsContact C-N 3.34Å; T894-K896 PolarHBondContact O-N 2.92Å; K896-M899 PolarHBondContact O-N 3.32Å; K896-S900 PolarHBondContact O-N 2.96Å; K896-S900 PolarHBondContact O-OG 2.92Å; K896-S900 VanDerWaalsContact O-OG 3.11Å
897G69.2Low60.6Low32 Ų32102.7 Ų102.733%0.3356%0.562SS.*Hα-helixtrans-62.5-44.7174.800000112.9Q893 T894 S900 A901Q893-G897 PolarHBondContact O-N 3.04Å; T894-G897 PolarHBondContact O-N 3.07Å; G897-S900 WeakPolarHBondContact CA-OG 3.26Å; G897-S900 PolarHBondContact O-N 3.04Å; G897-S900 PolarHBondContact O-OG 3.49Å; G897-A901 VanDerWaalsContact O-CB 3.23Å; G897-A901 WeakPolarHBondContact O-CB 3.49Å; G897-A901 PolarHBondContact O-N 2.94Å
898C55.3Low59Low82 Ų82107.4 Ų107.455%0.55458%0.581SS**Hα-helixtrans-61.1-44.9173.4-70.50000111.5T894 I895 A901 S902T894-C898 WeakPolarHBondContact O-CB 3.49Å; T894-C898 PolarHBondContact O-N 3.38Å; T894-C898 PolarHBondContact O-SG 2.97Å; I895-C898 PolarHBondContact O-N 3.01Å; C898-A901 PolarHBondContact O-N 2.81Å; C898-S902 PolarHBondContact O-N 2.9Å; C898-S902 PolarHBondContact O-OG 2.9Å; C898-S902 VanDerWaalsContact O-OG 3.09Å
899M50.4Low57.2Low130 Ų130108.4 Ų108.464%0.6460%0.597SS**Hα-helixtrans-63.5-40.6177.5-71.5176.169.300112.5I895 K896 S902 A903I895-M899 HydrophobicContact CG2-SD 4.04Å; I895-M899 VanDerWaalsContact O-CG 3.31Å; I895-M899 WeakPolarHBondContact O-CG 3.4Å; I895-M899 PolarHBondContact O-N 3.48Å; K896-M899 PolarHBondContact O-N 3.32Å; M899-S902 WeakPolarHBondContact CA-OG 3.3Å; M899-S902 PolarHBondContact O-OG 3.31Å; M899-A903 PolarHBondContact O-N 3.24Å
900S54.2Low55.2Low70 Ų70113.6 Ų113.649%0.4962%0.615SS.*Hα-helixtrans-71.2-35.7174.354.30000113.2K896 G897 S902 A903 N904K896-S900 PolarHBondContact O-N 2.96Å; K896-S900 PolarHBondContact O-OG 2.92Å; K896-S900 VanDerWaalsContact O-OG 3.11Å; G897-S900 WeakPolarHBondContact CA-OG 3.26Å; G897-S900 PolarHBondContact O-N 3.04Å; G897-S900 PolarHBondContact O-OG 3.49Å; S900-S902 VanDerWaalsContact C-N 3.28Å; S900-S902 PolarHBondContact O-N 3.48Å; S900-A903 PolarHBondContact O-N 2.99Å; S900-N904 PolarHBondContact O-N 3.45Å
901A45.7Very low53.3Low48 Ų48114 Ų11440%0.39763%0.629SS.*Hα-helixtrans-68.3-28.2176.900000112.4G897 C898 A903 R905G897-A901 VanDerWaalsContact O-CB 3.23Å; G897-A901 WeakPolarHBondContact O-CB 3.49Å; G897-A901 PolarHBondContact O-N 2.94Å; C898-A901 PolarHBondContact O-N 2.81Å; A901-A903 VanDerWaalsContact C-N 3.33Å; A901-R905 WeakPolarHBondContact O-CD 3.32Å; A901-R905 WeakPolarHBondContact O-CG 3.31Å
902S38.5Very low51.2Low77 Ų77118.5 Ų118.554%0.53865%0.646SS.*THydrogen-bonded Turntrans-79.5-8.9169.653.40000114.7C898 M899 S900C898-S902 PolarHBondContact O-N 2.9Å; C898-S902 PolarHBondContact O-OG 2.9Å; C898-S902 VanDerWaalsContact O-OG 3.09Å; M899-S902 WeakPolarHBondContact CA-OG 3.3Å; M899-S902 PolarHBondContact O-OG 3.31Å; S900-S902 VanDerWaalsContact C-N 3.28Å; S900-S902 PolarHBondContact O-N 3.48Å
903A43.7Very low49Very low82 Ų82122.1 Ų122.168%0.67866%0.664SS**SBendtrans-100.5-3.8179.900000113.6M899 S900 A901M899-A903 PolarHBondContact O-N 3.24Å; S900-A903 PolarHBondContact O-N 2.99Å; A901-A903 VanDerWaalsContact C-N 3.33Å
904N41.7Very low47.1Very low134 Ų134127.7 Ų127.772%0.71768%0.68SS**SBendtrans-133.538.9-172.4-159.419.8000111.8S900S900-N904 PolarHBondContact O-N 3.45Å
905R39.7Very low45.2Very low208 Ų208130.3 Ų130.379%0.78568%0.683SS**SBendtrans-137-6.6-178.9-78-172.8169.6-165.3-4.6115.3A901A901-R905 WeakPolarHBondContact O-CD 3.32Å; A901-R905 WeakPolarHBondContact O-CG 3.31Å
906D39.1Very low43.1Very low156 Ų156134 Ų13483%0.83470%0.704SS**SBendtrans-91.910.7-179.3-64.8-68.1000113.9
907S39.7Very low41.2Very low82 Ų82134 Ų13457%0.57371%0.706SS**SBendtrans-94.1-32.3-172.453.20000115.7
908D37Very low39.8Very low144 Ų144138.2 Ų138.277%0.7773%0.731SS**SBendtrans-130.668.7-157.3-72.9-78.3000115.7
909S40.6Very low38.6Very low123 Ų123142.4 Ų142.486%0.8675%0.747SS**  trans-157.870.2159.369.60000114
910K31.1Very low37.8Very low204 Ų204139.9 Ų139.989%0.88776%0.755SS**  trans-140.273.8179-163.1175.3-173.9174.20113.8
911L32.4Very low36.6Very low184 Ų184142.2 Ų142.296%0.96377%0.766SS**  trans-119141.6173.2-85.7168.3000112.7
912K34.8Very low35.9Very low197 Ų197149 Ų14986%0.85778%0.783SS**  trans-106.8135.8-172.1-55.2166.3178.2173.30111.3
913I33.6Very low35.8Very low174 Ų174153.7 Ų153.789%0.89280%0.797SS**  trans-148.3140.2153.4-51.3-179.9000108.3
914R36Very low35.1Very low233 Ų233153.7 Ų153.788%0.87980%0.796SS**  cis-159.2139.5-42.8-162.5167.6-177.4157.9-2.1106.8
915K36.1Very low34.8Very low144 Ų144154.7 Ų154.763%0.62680%0.8SS**  trans-74151.5175.4-171.3-167-177.7-153.40110.6E917K915-E917 WeakPolarHBondContact CE-OE1 3.33Å; K915-E917 WeakPolarHBondContact CE-OE2 3.4Å; K915-E917 IonicContact NZ-OE1 2.64Å; K915-E917 PolarHBondContact NZ-OE1 2.79Å; K915-E917 IonicContact NZ-OE2 3.14Å; K915-E917 PolarHBondContact NZ-OE2 3.44Å
916N32.4Very low34.4Very low165 Ų165151 Ų15188%0.88280%0.801SS**  trans-151.5159.2152.2-109.64.9000110.7
917E33.2Very low34.3Very low145 Ų145146.5 Ų146.568%0.67879%0.791SS**  trans-132.1151.1-171.2-70.3159121.200110.8K915K915-E917 WeakPolarHBondContact CE-OE1 3.33Å; K915-E917 WeakPolarHBondContact CE-OE2 3.4Å; K915-E917 IonicContact NZ-OE1 2.64Å; K915-E917 PolarHBondContact NZ-OE1 2.79Å; K915-E917 IonicContact NZ-OE2 3.14Å; K915-E917 PolarHBondContact NZ-OE2 3.44Å
918S40.4Very low34.1Very low121 Ų121150.1 Ų150.185%0.84680%0.804SS**  trans-156.7152.1162.4550000111.7
919N30.5Very low34Very low169 Ų169152.3 Ų152.390%0.90481%0.81SS**  trans-93.9159.9-170.4-58.8-45.9000113.2
920G34.5Very low33.8Very low78 Ų78150.4 Ų150.480%0.80480%0.801SS**  trans-155138.2167.700000111.5
921T29Very low34Very low118 Ų118147.4 Ų147.472%0.72480%0.795SS**  trans-117.5-178-163.8-54.40000112.3
922Y31Very low34.1Very low192 Ų192144.5 Ų144.575%0.75378%0.781SS**  trans101.3102166.5-59.1-75.3000114.8
923Q34.5Very low34.3Very low175 Ų175141.4 Ų141.482%0.81877%0.769SS**  83.2147.777.3-82.6-170.8-15.400113.2
924A30.1Very low34.2Very low81 Ų81143.3 Ų143.367%0.66977%0.765SS**  cis-175-171.5-21.600000108.8
925I34.7Very low34.4Very low155 Ų155138 Ų13880%0.79576%0.759SS**  trans84.1165.3172.5-57.7172.5000114.4
926T32.4Very low34.2Very low132 Ų132137.7 Ų137.781%0.8176%0.764SS**  177.7148.1-98.543.90000110.2
927G35.5Very low34.5Very low60 Ų60135.7 Ų135.762%0.61975%0.753SS**  trans132.5107.3177.800000110.1
928D36.1Very low34.7Very low159 Ų159133.3 Ų133.385%0.8575%0.749SS**  79.1138.475.7-63.4-32.2000111.6
929E35.8Very low34.6Very low190 Ų190136.3 Ų136.389%0.88875%0.746SS**  cis-148.7-174.86.3-139.2-178.8162.100110.6
930A35.5Very low34.9Very low83 Ų83137.3 Ų137.369%0.68674%0.743SS**  trans-130.9156-172.400000114.6
931N35Very low35.1Very low141 Ų141137.5 Ų137.575%0.75474%0.737SS**  trans-171.4140145-108.1-52.6000117.1
932N34.5Very low35.6Very low123 Ų123138.5 Ų138.566%0.65874%0.743SS**  trans29.5140.6131.7-77.3-39.7000121.4
933H38.8Very low35.9Very low132 Ų132132.6 Ų132.661%0.61174%0.74SS**  cis-166.4155.541.9-114.9-10.2000112.9
934R31.8Very low36Very low213 Ų213131 Ų13180%0.80474%0.743SS**  45142.8107.1-74.6-179.1173165.6-5117.1
935T40.1Very low36Very low123 Ų123136.3 Ų136.376%0.75575%0.745SS**  cis-149.8150.213.7330000110
936N33.3Very low35.8Very low137 Ų137138.5 Ų138.573%0.73375%0.749SS**  93133.555.8-122.359.1000116.3
937D37.3Very low35.7Very low122 Ų122140.8 Ų140.865%0.65275%0.745SS**  trans95.896.4146.8-65-43.8000127.9
938T38Very low35.3Very low96 Ų96143.7 Ų143.759%0.58975%0.753SS**  91.4152.2120.467.70000125.3
939K39.1Very low35.1Very low183 Ų183141 Ų14180%0.79675%0.752SS**  trans83.9143.1151-77148.4-162.1141.20118.5
940K36.6Very low34.7Very low191 Ų191138 Ų13883%0.8374%0.742SS**  cis-169.7159.7-7.7-166-171.4179.3-174.80110.9
941A38.1Very low34.7Very low82 Ų82143.5 Ų143.568%0.67875%0.751SS**  trans68.9154.6151.600000119.8
942T39.1Very low34.5Very low138 Ų138143.5 Ų143.585%0.84775%0.751SS**  cis-165.3139-22.4-81.40000109.8
943G37Very low34.1Very low68 Ų68142.3 Ų142.370%0.70175%0.752SS**  trans80154.5159.800000116.8
944T37.9Very low33.8Very low142 Ų142142.7 Ų142.787%0.87176%0.758SS**  cis-146147.3-1.3-58.10000110.1
945R29.9Very low33.6Very low192 Ų192138 Ų13873%0.72576%0.758SS**  trans-91131.9-173.4176.7-160.9-84.9-175.9-7.5112.3Y947R945-Y947 HydrophobicContact CG-CE2 4.46Å
946F30.8Very low33.2Very low201 Ų201137.8 Ų137.888%0.88275%0.751SS**  trans-140.8156.5151.7-92.8-71.3000111.8
947Y28.5Very low32.9Very low181 Ų181138.3 Ų138.371%0.7175%0.749SS**  trans-87.8156.1-163.1-88.1-105.7000114.5R945R945-Y947 HydrophobicContact CG-CE2 4.46Å
948P28.4Very low32.6Very low121 Ų121138.4 Ų138.479%0.78675%0.75SS**  trans-77.9126.2-178.231-34.8000113
949A31.6Very low32.2Very low101 Ų101136.8 Ų136.884%0.83574%0.737SS**  trans-94.699.7168.200000110.3K951A949-K951 PolarHBondContact O-N 3.23Å; A949-K951 VanDerWaalsContact O-N 3.09Å
950N27Very low31.8Very low129 Ų129134.1 Ų134.169%0.6974%0.74SS**  trans-59.8108.5178.7169.612.1000112.5N952N950-N952 PolarHBondContact OD1-OD1 3.47Å
951K36.1Very low31.6Very low197 Ų197129.1 Ų129.186%0.85773%0.726SS**  trans-140.2102.2142.9-67.8-170.1-179.4172.30110.2A949 S953A949-K951 PolarHBondContact O-N 3.23Å; A949-K951 VanDerWaalsContact O-N 3.09Å; K951-S953 PolarHBondContact O-N 2.96Å
952N31.6Very low31.3Very low142 Ų142128.5 Ų128.576%0.75972%0.717SS**  trans-42.1126.7163.3-60.1-16.4000109.7N950N950-N952 PolarHBondContact OD1-OD1 3.47Å
953S25.9Very low31.2Very low98 Ų98133.1 Ų133.169%0.68572%0.718SS**  cis61.9142.933.4-160.30000113.9K951K951-S953 PolarHBondContact O-N 2.96Å
954L30.7Very low31Very low140 Ų140133.6 Ų133.673%0.73371%0.711SS**  trans66121.6-172.5-45.7179.3000112.7
955S27.9Very low31Very low115 Ų115132.2 Ų132.280%0.80470%0.703SS**  cis51.57318.1-71.10000113.8
956L32.2Very low31.2Very low118 Ų118128.7 Ų128.762%0.61870%0.703SS**  trans-158.4135.7152.6-140.562.9000112.6
957E27.5Very low31.4Very low147 Ų147124.6 Ų124.669%0.68769%0.694SS**  trans-65.2134158.8-54.8160.686.300109K181K181-E957 WeakPolarHBondContact CE-O 3.47Å
958N30.1Very low32.1Very low125 Ų125123 Ų12367%0.66870%0.698SS**  trans-152.5135.1162.4-104.4-37.2000116K181K181-N958 PolarHBondContact NZ-OD1 2.88Å
959D29.4Very low32.4Very low61 Ų61124.8 Ų124.833%0.32670%0.701SS.*  trans-77.4142.3176.1-54.2-102.7000111.6N179 K181 V961N179-D959 PolarHBondContact ND2-OD1 2.87Å; K181-D959 WeakPolarHBondContact CE-OD2 3.18Å; K181-D959 IonicContact NZ-OD2 2.74Å; K181-D959 PolarHBondContact NZ-OD2 3.36Å; D959-V961 HydrophobicContact CB-CG2 4.15Å
960C31.2Very low32.7Very low127 Ų127131.5 Ų131.586%0.85871%0.705SS**  trans-153.1119.5148.6-93.50000106
961V33.6Very low33.2Very low86 Ų86132.4 Ų132.452%0.52171%0.709SS.*  cis65.564.219.6-159.70000114.1K176 D959K176-V961 HydrophobicContact CB-CG1 4.46Å; D959-V961 HydrophobicContact CB-CG2 4.15Å
962S31.7Very low33.3Very low70 Ų70129 Ų12949%0.4971%0.707SS.*  trans79.7129.8131-51.50000121.5K176K176-S962 WeakPolarHBondContact CD-OG 3.27Å; K176-S962 VanDerWaalsContact CE-CB 3.45Å; K176-S962 WeakPolarHBondContact CE-OG 3.49Å
963R36.9Very low33.5Very low234 Ų234129 Ų12988%0.88371%0.706SS**  -138.4163.1126.2-128.9178.5-173.6-150.2-0111.9
964S33.1Very low34.1Very low78 Ų78129.3 Ų129.355%0.54571%0.706SS.*  trans-162.6117.1-172-34.30000109.2K176K176-S964 PolarHBondContact NZ-OG 2.8Å
965T36.9Very low34.7Very low114 Ų114128.9 Ų128.970%0.69971%0.711SS**  trans-159.6109.6175.8370000106.1
966T33.7Very low34.9Very low118 Ų118130.4 Ų130.472%0.72471%0.71SS**  90.3157.361.556.70000113.6
967T36.4Very low35.1Very low114 Ų114133.3 Ų133.370%0.69972%0.72SS**  trans70105.4158.143.90000120.2
968N42.5Very low35.4Very low147 Ų147135.7 Ų135.779%0.78673%0.728SS**  110.6126.9123.9-62.80.5000119.9
969D35.2Very low35.7Very low160 Ų160134 Ų13486%0.85673%0.726SS**  trans-68.4121.6160.3-55.9-92.3000111.5
970R36.8Very low36Very low241 Ų241136.5 Ų136.591%0.90974%0.744SS**  trans-178148.4130.7-102.2172.4-179.9-154-0.9110.7
971L37.3Very low36.3Very low149 Ų149133.8 Ų133.878%0.7874%0.738SS**PPolyproline II helixtrans-60.8142.6168.9-71.3153.1000110.2
972P38.9Very low36.2Very low125 Ų125137.3 Ų137.381%0.81275%0.748SS**PPolyproline II helix-100.1145.1115.2-2235.6000112.9
973L35.9Very low36.5Very low142 Ų142139.5 Ų139.574%0.74376%0.761SS**PPolyproline II helixtrans-76.1155.2173.1-71.8160.6000110.7
974P38.5Very low36.5Very low104 Ų104133.9 Ų133.968%0.67576%0.758SS**PPolyproline II helixtrans-71.5134.7176.529.6-34.3000111.4L976P974-L976 PolarHBondContact O-N 2.81Å
975P43.1Very low36.5Very low131 Ų131139.5 Ų139.585%0.85178%0.775SS**PPolyproline II helixtrans-62.9131.1161.2-18.332.1000109.8
976L31.1Very low36.4Very low147 Ų147139.3 Ų139.377%0.7778%0.778SS**PPolyproline II helixtrans-93.4159.1176.4-82.5169.6000111.5P974P974-L976 PolarHBondContact O-N 2.81Å
977Q37.4Very low36.4Very low179 Ų179139 Ų13984%0.83678%0.781SS**  trans72.1121.7171.2-64158-13.200114.2
978K34Very low36.4Very low197 Ų197139.3 Ų139.386%0.85779%0.788SS**  74.5117.456.1-173.5170.9-179-179.10109.5
979S36.1Very low36.1Very low90 Ų90137.9 Ų137.963%0.62979%0.79SS**  cis-157.515039.349.20000116.8
980T36.6Very low36.6Very low113 Ų113135.9 Ų135.969%0.69378%0.783SS**  trans49.2131.7139.558.30000122.1
981G36.2Very low36.9Very low71 Ų71130.1 Ų130.173%0.73278%0.777SS**  trans-173.27173.500000122.1
982E31.9Very low37.7Very low159 Ų159130.3 Ų130.374%0.74378%0.777SS**  trans60.8167.1171.1-67-50.5103.300118.3
983P38.1Very low38.7Very low117 Ų117128.8 Ų128.876%0.7676%0.762SS**  trans-104.5148.8-151.138-34.8000116.3
984S37.1Very low40.7Very low116 Ų116129.7 Ų129.781%0.81176%0.76SS**  trans-144.3149.4159.757.10000110.6
985E31.5Very low43.1Very low196 Ų196131.5 Ų131.592%0.91676%0.758SS**  trans-79.3127-175.3-53.8-177.6131.400111.8
986S35.3Very low45.4Very low109 Ų109129 Ų12976%0.76273%0.732SS**  trans-176.1142.8143.937.70000115
987S33.4Very low48.3Very low113 Ų113130.4 Ų130.479%0.7973%0.727SS**  trans3.1112.2158.354.50000120.9
988S36.9Very low51Low120 Ų120122 Ų12284%0.83969%0.688SS**  trans-137.999.213255.40000110.3T990S988-T990 PolarHBondContact O-N 3.25Å; S988-T990 VanDerWaalsContact O-N 3.13Å
989S35.6Very low53.8Low117 Ų117122.7 Ų122.782%0.81869%0.685SS**  trans-83.592.2-165.957.60000113.2
990T46.9Very low56.4Low118 Ų118124.9 Ų124.972%0.72468%0.68SS**  trans-77.6133.1150.255.50000108.7S988 I992S988-T990 PolarHBondContact O-N 3.25Å; S988-T990 VanDerWaalsContact O-N 3.13Å; T990-I992 PolarHBondContact O-N 2.78Å; T990-I992 VanDerWaalsContact O-N 3.11Å
991P43Very low59.2Low120 Ų120121.7 Ų121.778%0.77966%0.662SS**  trans-69.8113.9-177.126.3-33000109.9N993P991-N993 PolarHBondContact O-N 2.85Å
992I54.3Low61.7Low153 Ų153120.2 Ų120.279%0.78565%0.647SS**  trans-7173.4175.7-51.7178.9000109.3T990 K994T990-I992 PolarHBondContact O-N 2.78Å; T990-I992 VanDerWaalsContact O-N 3.11Å; I992-K994 PolarHBondContact O-N 3.48Å
993N58.7Low64.6Low93 Ų93117.9 Ų117.950%0.49764%0.635SS.*  trans-64.8117.2172.4-167.3-18.2000107.7P991 F995P991-N993 PolarHBondContact O-N 2.85Å; N993-F995 HydrophobicContact CB-CE2 4.46Å; N993-F995 WeakPolarHBondContact O-CD2 3.28Å; N993-F995 WeakPolarHBondContact O-CE2 3.17Å; N993-F995 PolarHBondContact O-N 3.3Å
994K78.9Confident67.2Low161 Ų161116.6 Ų116.670%0.763%0.625SS**  trans-71.586.7-166.6-66.2179.3179.7177.50110.7I992 Y996I992-K994 PolarHBondContact O-N 3.48Å; K994-Y996 WeakPolarHBondContact O-CD2 3.41Å; K994-Y996 WeakPolarHBondContact O-CE2 3.4Å
995F88.7Confident69.9Low141 Ų141112.6 Ų112.662%0.61859%0.593SS**  trans-68.6130.5178.8-65.9-75000112.1N993 F1005N993-F995 HydrophobicContact CB-CE2 4.46Å; N993-F995 WeakPolarHBondContact O-CD2 3.28Å; N993-F995 WeakPolarHBondContact O-CE2 3.17Å; N993-F995 PolarHBondContact O-N 3.3Å; F995-F1005 CarbonylContact C-O 3.56Å; F995-F1005 WeakPolarHBondContact CA-O 3.42Å
996Y92Very high72.8Confident79 Ų79107.9 Ų107.931%0.3157%0.574SS.*EExtended strand (participates in β ladder)trans-94105.5-179.2-61.9-89.8000109.8K994 F1005 K1008K994-Y996 WeakPolarHBondContact O-CD2 3.41Å; K994-Y996 WeakPolarHBondContact O-CE2 3.4Å; Y996-F1005 PolarHBondContact N-O 3.01Å; Y996-F1005 PolarHBondContact O-N 3.14Å; Y996-K1008 HydrophobicContact CD1-CB 3.81Å; Y996-K1008 HydrophobicContact CD1-CG 4.16Å; Y996-K1008 HydrophobicContact CE1-CB 3.58Å; Y996-K1008 HydrophobicContact CE1-CG 4.05Å; Y996-K1008 HydrophobicContact CE2-CB 4.32Å; Y996-K1008 VanDerWaalsContact CE2-N 3.33Å; Y996-K1008 HydrophobicContact CG-CB 4.29Å
997R91.3Very high75.5Confident177 Ų177110.8 Ų110.867%0.66857%0.568SS**EExtended strand (participates in β ladder)trans-82.4125.4178.5-171.5-176.1-69.7-178.80111.4G1002 T1004 R1011R997-G1002 WeakPolarHBondContact CG-O 3.45Å; R997-T1004 HydrophobicContact CB-CG2 4.28Å; R997-T1004 HydrophobicContact CG-CG2 4.38Å; R997-R1011 VanDerWaalsContact C-CD 3.48Å; R997-R1011 WeakPolarHBondContact O-CD 3.43Å
998C94.6Very high78.3Confident1 Ų1111.4 Ų111.41%0.00756%0.556CS.*  trans-62.4128.4174.1178.20000111.3Y1000 G1002 K1003 F1005 R1011 E1015C998-Y1000 VanDerWaalsContact C-N 3.31Å; C998-Y1000 PolarHBondContact O-N 3.06Å; C998-G1002 WeakPolarHBondContact O-CA 3.39Å; C998-G1002 PolarHBondContact O-N 2.82Å; C998-K1003 VanDerWaalsContact CB-O 3.31Å; C998-K1003 WeakPolarHBondContact CB-O 3.3Å; C998-K1003 PolarHBondContact N-O 3.49Å; C998-F1005 HydrophobicContact CB-CE2 4.29Å; C998-R1011 HydrophobicContact CB-CG 4.21Å; C998-E1015 HydrophobicContact CB-CG 4.44Å
999R91.6Very high80.9Confident213 Ų213110.8 Ų110.880%0.80454%0.539SS*.THydrogen-bonded Turntrans-60.5-35.2-178.8-72.1178.1170.6179.9-3.8113.8E1015R999-E1015 PolarHBondContact N-OE1 3.14Å
1000Y92.1Very high83.7Confident135 Ų135107.2 Ų107.253%0.52951%0.513SS..THydrogen-bonded Turntrans-91.1-20-170.3-58.7-73.5000115.6C998 E1015 H1018 T1019C998-Y1000 VanDerWaalsContact C-N 3.31Å; C998-Y1000 PolarHBondContact O-N 3.06Å; Y1000-E1015 HydrophobicContact CD2-CB 4.32Å; Y1000-E1015 HydrophobicContact CD2-CG 4.18Å; Y1000-E1015 HydrophobicContact CE2-CB 4.2Å; Y1000-E1015 HydrophobicContact CE2-CG 4.38Å; Y1000-H1018 VanDerWaalsContact CB-CG 3.46Å; Y1000-H1018 HydrophobicContact CD1-CB 4.41Å; Y1000-H1018 HydrophobicContact CD2-CB 3.45Å; Y1000-H1018 VanDerWaalsContact CD2-CB 3.45Å; Y1000-H1018 AromaticContact CD2-CG 3.93Å; Y1000-H1018 HydrophobicContact CE2-CB 4.11Å; Y1000-H1018 HydrophobicContact CG-CB 3.63Å; Y1000-H1018 AromaticContact CG-CG 3.89Å; Y1000-T1019 HydrophobicContact CE2-CG2 3.77Å; Y1000-T1019 VanDerWaalsContact OH-CG2 3.25Å; Y1000-T1019 WeakPolarHBondContact OH-CG2 3.34Å
1001C94.1Very high85.9Confident46 Ų46104 Ų10431%0.31149%0.488SS..THydrogen-bonded Turntrans-146.411.7-176.369.80000115K1003 H1014 H1018C1001-K1003 PolarHBondContact O-N 3.36Å; C1001-H1014 PolarHBondContact SG-NE2 2.79Å; C1001-H1018 PolarHBondContact SG-NE2 2.86Å
1002G90.5Very high88.3Confident41 Ų41101.3 Ų101.342%0.42347%0.465SS..  trans68.2-5.4175.500000116.3R997 C998 T1004R997-G1002 WeakPolarHBondContact CG-O 3.45Å; C998-G1002 WeakPolarHBondContact O-CA 3.39Å; C998-G1002 PolarHBondContact O-N 2.82Å; G1002-T1004 PolarHBondContact O-N 3.09Å
1003K91.1Very high90.1Very high110 Ų11097.1 Ų97.148%0.47844%0.439SS..  trans-64130.2-178.7-66.1-180-174.7-179.50110.8C998 C1001 F1005C998-K1003 VanDerWaalsContact CB-O 3.31Å; C998-K1003 WeakPolarHBondContact CB-O 3.3Å; C998-K1003 PolarHBondContact N-O 3.49Å; C1001-K1003 PolarHBondContact O-N 3.36Å; K1003-F1005 HydrophobicContact CB-CE2 4.16Å; K1003-F1005 WeakPolarHBondContact O-CD2 3.1Å; K1003-F1005 WeakPolarHBondContact O-CE2 3.35Å
1004T93.5Very high91.7Very high89 Ų8993.5 Ų93.555%0.54642%0.419SS..EExtended strand (participates in β ladder)trans-93.5150.1-176.146.50000112.6R997 G1002R997-T1004 HydrophobicContact CB-CG2 4.28Å; R997-T1004 HydrophobicContact CG-CG2 4.38Å; G1002-T1004 PolarHBondContact O-N 3.09Å
1005F93.8Very high92.4Very high33 Ų3386.7 Ų86.715%0.14539%0.39CS..EExtended strand (participates in β ladder)trans-137.6148.8-179.6-63.9-95.5000110.7F995 Y996 C998 K1003 R1007 C1010 R1011 H1014F995-F1005 CarbonylContact C-O 3.56Å; F995-F1005 WeakPolarHBondContact CA-O 3.42Å; Y996-F1005 PolarHBondContact N-O 3.01Å; Y996-F1005 PolarHBondContact O-N 3.14Å; C998-F1005 HydrophobicContact CB-CE2 4.29Å; K1003-F1005 HydrophobicContact CB-CE2 4.16Å; K1003-F1005 WeakPolarHBondContact O-CD2 3.1Å; K1003-F1005 WeakPolarHBondContact O-CE2 3.35Å; F1005-R1007 VanDerWaalsContact C-N 3.29Å; F1005-R1007 PolarHBondContact O-N 2.96Å; F1005-C1010 HydrophobicContact CB-CB 4.12Å; F1005-C1010 HydrophobicContact CD1-CB 3.7Å; F1005-C1010 HydrophobicContact CG-CB 4.2Å; F1005-R1011 HydrophobicContact CB-CB 4.24Å; F1005-R1011 HydrophobicContact CD2-CB 3.86Å; F1005-R1011 HydrophobicContact CD2-CG 4.12Å; F1005-R1011 HydrophobicContact CG-CB 4.19Å; F1005-H1014 HydrophobicContact CE1-CB 4.2Å; F1005-H1014 HydrophobicContact CE2-CB 4.16Å; F1005-H1014 AromaticContact CE2-CD2 3.34Å; F1005-H1014 WeakPolarHBondContact CE2-CD2 3.34Å; F1005-H1014 HydrophobicContact CZ-CB 3.6Å; F1005-H1014 AromaticContact CZ-CD2 3.22Å; F1005-H1014 WeakPolarHBondContact CZ-CD2 3.43Å; F1005-H1014 AromaticContact CZ-CG 3.55Å
1006N92.6Very high92.7Very high96 Ų9682.7 Ų82.751%0.51337%0.371SS..SBendtrans-79.7-3176.563.5-8.6000114.3
1007R92.1Very high92.8Very high171 Ų17182 Ų8265%0.64537%0.372SS*.SBendtrans-145.5139.8-178.4-63.5-178.2179.2-178.5-1.6111.6F1005 F1009 C1010 R1011F1005-R1007 VanDerWaalsContact C-N 3.29Å; F1005-R1007 PolarHBondContact O-N 2.96Å; R1007-F1009 PolarHBondContact O-N 2.81Å; R1007-C1010 HydrophobicContact CB-CB 4.32Å; R1007-C1010 WeakPolarHBondContact O-CB 3.49Å; R1007-C1010 PolarHBondContact O-N 3.32Å; R1007-C1010 VanDerWaalsContact O-N 3.09Å; R1007-R1011 PolarHBondContact O-N 3.09Å
1008K92.9Very high92.8Very high125 Ų12577.6 Ų77.654%0.54336%0.359SS..Hα-helixtrans-51.6-51.7179.2-173.3-172.5173.4-1690111.8Y996 C1010 R1011 E1012Y996-K1008 HydrophobicContact CD1-CB 3.81Å; Y996-K1008 HydrophobicContact CD1-CG 4.16Å; Y996-K1008 HydrophobicContact CE1-CB 3.58Å; Y996-K1008 HydrophobicContact CE1-CG 4.05Å; Y996-K1008 HydrophobicContact CE2-CB 4.32Å; Y996-K1008 VanDerWaalsContact CE2-N 3.33Å; Y996-K1008 HydrophobicContact CG-CB 4.29Å; K1008-C1010 VanDerWaalsContact C-N 3.3Å; K1008-C1010 PolarHBondContact O-N 3.47Å; K1008-R1011 WeakPolarHBondContact O-CB 3.12Å; K1008-R1011 PolarHBondContact O-N 2.94Å; K1008-R1011 VanDerWaalsContact O-N 3.13Å; K1008-E1012 PolarHBondContact O-N 3.24Å
1009F91.6Very high92.6Very high108 Ų10880.7 Ų80.747%0.47438%0.378SS..Hα-helixtrans-59.2-35.7179.3179.1-110.6000113.4R1007 E1012 R1013R1007-F1009 PolarHBondContact O-N 2.81Å; F1009-E1012 PolarHBondContact O-N 3.04Å; F1009-R1013 WeakPolarHBondContact O-CB 3.33Å; F1009-R1013 PolarHBondContact O-N 3.02Å
1010C92.7Very high92.6Very high42 Ų4272.7 Ų72.728%0.28436%0.361SS..Hα-helixtrans-69.8-36177.6-63.50000112.1F1005 R1007 K1008 H1014F1005-C1010 HydrophobicContact CB-CB 4.12Å; F1005-C1010 HydrophobicContact CD1-CB 3.7Å; F1005-C1010 HydrophobicContact CG-CB 4.2Å; R1007-C1010 HydrophobicContact CB-CB 4.32Å; R1007-C1010 WeakPolarHBondContact O-CB 3.49Å; R1007-C1010 PolarHBondContact O-N 3.32Å; R1007-C1010 VanDerWaalsContact O-N 3.09Å; K1008-C1010 VanDerWaalsContact C-N 3.3Å; K1008-C1010 PolarHBondContact O-N 3.47Å; C1010-H1014 WeakPolarHBondContact O-CB 3.47Å; C1010-H1014 PolarHBondContact O-N 3.26Å
1011R95Very high92.6Very high49 Ų4970 Ų7019%0.18536%0.359CS..Hα-helixtrans-65.5-50.3170.8-173.1-150.764.2-157.36.8110.6R997 C998 F1005 R1007 K1008 R1013 H1014 E1015R997-R1011 VanDerWaalsContact C-CD 3.48Å; R997-R1011 WeakPolarHBondContact O-CD 3.43Å; C998-R1011 HydrophobicContact CB-CG 4.21Å; F1005-R1011 HydrophobicContact CB-CB 4.24Å; F1005-R1011 HydrophobicContact CD2-CB 3.86Å; F1005-R1011 HydrophobicContact CD2-CG 4.12Å; F1005-R1011 HydrophobicContact CG-CB 4.19Å; R1007-R1011 PolarHBondContact O-N 3.09Å; K1008-R1011 WeakPolarHBondContact O-CB 3.12Å; K1008-R1011 PolarHBondContact O-N 2.94Å; K1008-R1011 VanDerWaalsContact O-N 3.13Å; R1011-R1013 PolarHBondContact O-N 2.79Å; R1011-H1014 CarbonylContact O-C 3.53Å; R1011-H1014 WeakPolarHBondContact O-CA 3.22Å; R1011-H1014 WeakPolarHBondContact O-CB 3.31Å; R1011-H1014 PolarHBondContact O-N 3.06Å; R1011-E1015 VanDerWaalsContact CD-OE1 3.3Å; R1011-E1015 WeakPolarHBondContact CD-OE1 3.34Å; R1011-E1015 HydrophobicContact CG-CG 4.34Å; R1011-E1015 IonicContact CZ-OE1 2.71Å; R1011-E1015 IonicContact CZ-OE2 3.54Å; R1011-E1015 VanDerWaalsContact NE-CD 3.27Å; R1011-E1015 IonicContact NE-OE1 2.85Å; R1011-E1015 PolarHBondContact NE-OE1 2.74Å; R1011-E1015 IonicContact NE-OE2 2.67Å; R1011-E1015 PolarHBondContact NE-OE2 2.72Å; R1011-E1015 IonicContact NH2-OE2 3.58Å; R1011-E1015 PolarHBondContact NH2-OE2 3.38Å; R1011-E1015 WeakPolarHBondContact O-CG 3.39Å; R1011-E1015 PolarHBondContact O-N 2.94Å
1012E92.5Very high92.5Very high64 Ų6473.3 Ų73.330%0.29937%0.368SS..Hα-helixtrans-61.8-46.6-177.6-167.6-159.812100112.4K1008 F1009 H1014 E1015 R1016K1008-E1012 PolarHBondContact O-N 3.24Å; F1009-E1012 PolarHBondContact O-N 3.04Å; E1012-H1014 PolarHBondContact O-N 3.12Å; E1012-H1014 VanDerWaalsContact O-N 3.11Å; E1012-E1015 PolarHBondContact O-N 2.92Å; E1012-R1016 WeakPolarHBondContact O-CG 3.42Å; E1012-R1016 PolarHBondContact O-N 3.23Å; E1012-R1016 IonicContact OE1-CZ 3.15Å; E1012-R1016 IonicContact OE1-NE 2.62Å; E1012-R1016 IonicContact OE1-NH2 3.03Å; E1012-R1016 PolarHBondContact OE1-NH2 2.98Å
1013R92Very high92.6Very high65 Ų6574.6 Ų74.625%0.24537%0.369CS..Hα-helixtrans-55.9-26.1171.4176.5-176.8-80.4-141.3-13.8113F1009 R1011 R1035 E1037F1009-R1013 WeakPolarHBondContact O-CB 3.33Å; F1009-R1013 PolarHBondContact O-N 3.02Å; R1011-R1013 PolarHBondContact O-N 2.79Å; R1013-R1035 HydrophobicContact CG-CG 4.49Å; R1013-E1037 IonicContact CZ-OE1 2.81Å; R1013-E1037 IonicContact CZ-OE2 3.9Å; R1013-E1037 IonicContact NH1-OE1 2.61Å; R1013-E1037 PolarHBondContact NH1-OE1 3.15Å; R1013-E1037 IonicContact NH1-OE2 2.72Å; R1013-E1037 VanDerWaalsContact NH2-CD 3.34Å; R1013-E1037 IonicContact NH2-OE1 3.93Å; R1013-E1037 PolarHBondContact NH2-OE1 3.41Å; R1013-E1037 IonicContact NH2-OE2 3.68Å; R1013-E1037 PolarHBondContact NH2-OE2 2.94Å; R1013-E1037 VanDerWaalsContact NH2-OE2 3.14Å
1014H92.6Very high92.7Very high17 Ų1772.8 Ų72.88%0.07936%0.36CS..Hα-helixtrans-88.7-32.5173.7173.542.8000113R762 C1001 F1005 C1010 R1011 E1012 R1016 L1017 H1018R762-H1014 PolarHBondContact NH2-NE2 3.49Å; C1001-H1014 PolarHBondContact SG-NE2 2.79Å; F1005-H1014 HydrophobicContact CE1-CB 4.2Å; F1005-H1014 HydrophobicContact CE2-CB 4.16Å; F1005-H1014 AromaticContact CE2-CD2 3.34Å; F1005-H1014 WeakPolarHBondContact CE2-CD2 3.34Å; F1005-H1014 HydrophobicContact CZ-CB 3.6Å; F1005-H1014 AromaticContact CZ-CD2 3.22Å; F1005-H1014 WeakPolarHBondContact CZ-CD2 3.43Å; F1005-H1014 AromaticContact CZ-CG 3.55Å; C1010-H1014 WeakPolarHBondContact O-CB 3.47Å; C1010-H1014 PolarHBondContact O-N 3.26Å; R1011-H1014 CarbonylContact O-C 3.53Å; R1011-H1014 WeakPolarHBondContact O-CA 3.22Å; R1011-H1014 WeakPolarHBondContact O-CB 3.31Å; R1011-H1014 PolarHBondContact O-N 3.06Å; E1012-H1014 PolarHBondContact O-N 3.12Å; E1012-H1014 VanDerWaalsContact O-N 3.11Å; H1014-R1016 PolarHBondContact O-N 2.95Å; H1014-L1017 WeakPolarHBondContact O-CA 3.46Å; H1014-L1017 VanDerWaalsContact O-CB 3.23Å; H1014-L1017 WeakPolarHBondContact O-CB 3.27Å; H1014-L1017 PolarHBondContact O-N 3.33Å; H1014-H1018 AromaticContact CE1-CD2 3.8Å; H1014-H1018 AromaticContact CE1-NE2 3.36Å; H1014-H1018 PolarHBondContact CE1-NE2 3.43Å; H1014-H1018 AromaticContact NE2-NE2 3.68Å
1015E94Very high92.7Very high19 Ų1971.4 Ų71.49%0.08935%0.354CS..Hα-helixtrans-64.3-29.9171.9-72167.4149.800111.3C998 R999 Y1000 R1011 E1012 L1017 H1018 T1019C998-E1015 HydrophobicContact CB-CG 4.44Å; R999-E1015 PolarHBondContact N-OE1 3.14Å; Y1000-E1015 HydrophobicContact CD2-CB 4.32Å; Y1000-E1015 HydrophobicContact CD2-CG 4.18Å; Y1000-E1015 HydrophobicContact CE2-CB 4.2Å; Y1000-E1015 HydrophobicContact CE2-CG 4.38Å; R1011-E1015 VanDerWaalsContact CD-OE1 3.3Å; R1011-E1015 WeakPolarHBondContact CD-OE1 3.34Å; R1011-E1015 HydrophobicContact CG-CG 4.34Å; R1011-E1015 IonicContact CZ-OE1 2.71Å; R1011-E1015 IonicContact CZ-OE2 3.54Å; R1011-E1015 VanDerWaalsContact NE-CD 3.27Å; R1011-E1015 IonicContact NE-OE1 2.85Å; R1011-E1015 PolarHBondContact NE-OE1 2.74Å; R1011-E1015 IonicContact NE-OE2 2.67Å; R1011-E1015 PolarHBondContact NE-OE2 2.72Å; R1011-E1015 IonicContact NH2-OE2 3.58Å; R1011-E1015 PolarHBondContact NH2-OE2 3.38Å; R1011-E1015 WeakPolarHBondContact O-CG 3.39Å; R1011-E1015 PolarHBondContact O-N 2.94Å; E1012-E1015 PolarHBondContact O-N 2.92Å; E1015-L1017 PolarHBondContact O-N 3.49Å; E1015-H1018 PolarHBondContact O-N 3.3Å; E1015-T1019 PolarHBondContact O-N 3.25Å; E1015-T1019 PolarHBondContact O-OG1 2.86Å; E1015-T1019 VanDerWaalsContact O-OG1 3.06Å
1016R94.2Very high92.7Very high57 Ų5770.3 Ų70.322%0.21535%0.35CS..Hα-helixtrans-62.8-23.9167.2-61.3179.4-163.2-167.20.1113.9E1012 H1014 H1018 T1019 G1020 I1034E1012-R1016 WeakPolarHBondContact O-CG 3.42Å; E1012-R1016 PolarHBondContact O-N 3.23Å; E1012-R1016 IonicContact OE1-CZ 3.15Å; E1012-R1016 IonicContact OE1-NE 2.62Å; E1012-R1016 IonicContact OE1-NH2 3.03Å; E1012-R1016 PolarHBondContact OE1-NH2 2.98Å; H1014-R1016 PolarHBondContact O-N 2.95Å; R1016-H1018 VanDerWaalsContact C-N 3.3Å; R1016-T1019 WeakPolarHBondContact CA-OG1 3.45Å; R1016-G1020 PolarHBondContact O-N 3.04Å; R1016-I1034 HydrophobicContact CB-CG2 3.61Å
1017L93.1Very high92.6Very high63 Ų6373.2 Ų73.233%0.3336%0.36SS..Hα-helixtrans-75.6-17.3171.8-57.3176.3000112.9H1014 E1015 I1034H1014-L1017 WeakPolarHBondContact O-CA 3.46Å; H1014-L1017 VanDerWaalsContact O-CB 3.23Å; H1014-L1017 WeakPolarHBondContact O-CB 3.27Å; H1014-L1017 PolarHBondContact O-N 3.33Å; E1015-L1017 PolarHBondContact O-N 3.49Å; L1017-I1034 HydrophobicContact CD2-CD1 3.76Å; L1017-I1034 HydrophobicContact CD2-CG2 4.1Å
1018H91.8Very high92.5Very high86 Ų8668.8 Ų68.840%0.39835%0.349SS..Hα-helixtrans-95.8-34.8175.9-74.7-81.9000112.5Y1000 C1001 H1014 E1015 R1016Y1000-H1018 VanDerWaalsContact CB-CG 3.46Å; Y1000-H1018 HydrophobicContact CD1-CB 4.41Å; Y1000-H1018 HydrophobicContact CD2-CB 3.45Å; Y1000-H1018 VanDerWaalsContact CD2-CB 3.45Å; Y1000-H1018 AromaticContact CD2-CG 3.93Å; Y1000-H1018 HydrophobicContact CE2-CB 4.11Å; Y1000-H1018 HydrophobicContact CG-CB 3.63Å; Y1000-H1018 AromaticContact CG-CG 3.89Å; C1001-H1018 PolarHBondContact SG-NE2 2.86Å; H1014-H1018 AromaticContact CE1-CD2 3.8Å; H1014-H1018 AromaticContact CE1-NE2 3.36Å; H1014-H1018 PolarHBondContact CE1-NE2 3.43Å; H1014-H1018 AromaticContact NE2-NE2 3.68Å; E1015-H1018 PolarHBondContact O-N 3.3Å; R1016-H1018 VanDerWaalsContact C-N 3.3Å
1019T91.3Very high92.4Very high66 Ų6664.9 Ų64.941%0.40534%0.337SS..Hα-helixtrans-85.4-6.9178.351.50000113.8Y1000 E1015 R1016 V1021Y1000-T1019 HydrophobicContact CE2-CG2 3.77Å; Y1000-T1019 VanDerWaalsContact OH-CG2 3.25Å; Y1000-T1019 WeakPolarHBondContact OH-CG2 3.34Å; E1015-T1019 PolarHBondContact O-N 3.25Å; E1015-T1019 PolarHBondContact O-OG1 2.86Å; E1015-T1019 VanDerWaalsContact O-OG1 3.06Å; R1016-T1019 WeakPolarHBondContact CA-OG1 3.45Å; T1019-V1021 PolarHBondContact O-N 2.7Å
1020G90.8Very high92.3Very high44 Ų4466.9 Ų66.945%0.45435%0.353SS..  trans68.60.2-178.600000115.2R1016 K1022R1016-G1020 PolarHBondContact O-N 3.04Å; G1020-K1022 WeakPolarHBondContact O-CG 3.26Å; G1020-K1022 PolarHBondContact O-N 3.28Å
1021V91.7Very high92.3Very high78 Ų7869.8 Ų69.847%0.47336%0.362SS..  trans-64.4116.1-173.5177.80000110.8T1019 P1023T1019-V1021 PolarHBondContact O-N 2.7Å; V1021-P1023 VanDerWaalsContact O-CD 3.26Å; V1021-P1023 WeakPolarHBondContact O-CD 3.43Å
1022K92.2Very high92.2Very high116 Ų11673.1 Ų73.150%0.50438%0.378SS..  trans-113.280.6-176.6-76160.6157.7-130.90110.8G1020 Y1024 K1032 F1033 I1034G1020-K1022 WeakPolarHBondContact O-CG 3.26Å; G1020-K1022 PolarHBondContact O-N 3.28Å; K1022-Y1024 VanDerWaalsContact C-N 3.27Å; K1022-Y1024 PolarHBondContact O-N 3.09Å; K1022-K1032 HydrophobicContact CB-CB 3.7Å; K1022-K1032 HydrophobicContact CD-CB 4.25Å; K1022-K1032 WeakPolarHBondContact CD-O 3.44Å; K1022-K1032 VanDerWaalsContact CE-O 3.26Å; K1022-K1032 WeakPolarHBondContact CE-O 3.23Å; K1022-K1032 HydrophobicContact CG-CB 4.49Å; K1022-K1032 WeakPolarHBondContact CG-O 3.31Å; K1022-K1032 PolarHBondContact NZ-O 2.93Å; K1022-F1033 CarbonylContact C-O 3.54Å; K1022-F1033 VanDerWaalsContact C-O 3.26Å; K1022-F1033 VanDerWaalsContact CA-O 3.26Å; K1022-F1033 WeakPolarHBondContact CA-O 3.44Å; K1022-I1034 HydrophobicContact CG-CD1 4.45Å; K1022-I1034 HydrophobicContact CG-CG1 3.59Å
1023P92.1Very high92.3Very high68 Ų6871.8 Ų71.844%0.44237%0.371SS..  trans-81.21.7-171.633.6-35.7000114.4V1021 F1033V1021-P1023 VanDerWaalsContact O-CD 3.26Å; V1021-P1023 WeakPolarHBondContact O-CD 3.43Å; P1023-F1033 WeakPolarHBondContact CD-O 3.29Å
1024Y94Very high92.4Very high73 Ų7370.3 Ų70.329%0.28637%0.368SS..EExtended strand (participates in β ladder)trans-118.491.1-178.7-53.3-73.1000110.6K1022 F1033 L1036K1022-Y1024 VanDerWaalsContact C-N 3.27Å; K1022-Y1024 PolarHBondContact O-N 3.09Å; Y1024-F1033 PolarHBondContact N-O 2.67Å; Y1024-F1033 WeakPolarHBondContact O-CD2 3.42Å; Y1024-F1033 PolarHBondContact O-N 3.49Å; Y1024-L1036 HydrophobicContact CD1-CB 4.09Å; Y1024-L1036 HydrophobicContact CD1-CD1 4.02Å; Y1024-L1036 HydrophobicContact CD2-CB 4.42Å; Y1024-L1036 VanDerWaalsContact CD2-N 3.32Å; Y1024-L1036 HydrophobicContact CE1-CB 3.92Å; Y1024-L1036 HydrophobicContact CE1-CD1 4.37Å; Y1024-L1036 HydrophobicContact CE2-CB 4.25Å; Y1024-L1036 HydrophobicContact CG-CB 4.34Å
1025S92.5Very high92.4Very high60 Ų6072.7 Ų72.742%0.4238%0.376SS..EExtended strand (participates in β ladder)trans-67.3146.1166.545.40000111.2E1031 K1039S1025-E1031 CarbonylContact C-O 3.59Å; S1025-K1039 WeakPolarHBondContact O-CD 3.49Å; S1025-K1039 WeakPolarHBondContact O-CE 3.34Å; S1025-K1039 PolarHBondContact O-NZ 2.93Å
1026C93.7Very high92.4Very high10 Ų1074.9 Ų74.97%0.06839%0.388CS..  trans-65.8164.6163.5-172.90000110.8L1028 C1029 E1031 F1033 H1042C1026-L1028 PolarHBondContact SG-N 3Å; C1026-C1029 CarbonylContact C-O 3.51Å; C1026-C1029 VanDerWaalsContact CB-O 3.26Å; C1026-C1029 WeakPolarHBondContact CB-O 3.07Å; C1026-E1031 PolarHBondContact N-O 2.75Å; C1026-F1033 HydrophobicContact CB-CE2 4.39Å; C1026-H1042 PolarHBondContact SG-CD2 3.2Å; C1026-H1042 PolarHBondContact SG-NE2 2.8Å
1027E90.5Very high92.3Very high156 Ų15676.3 Ų76.373%0.72940%0.397SS*.SBendtrans-107.5-9.2175.4-73.5147.1-136.200111.8K1039E1027-K1039 VanDerWaalsContact OE1-CE 3.28Å; E1027-K1039 WeakPolarHBondContact OE1-CE 3.09Å; E1027-K1039 IonicContact OE1-NZ 3.7Å; E1027-K1039 PolarHBondContact OE1-NZ 3.34Å
1028L90.3Very high92.3Very high79 Ų7975.1 Ų75.141%0.41439%0.391SS..SBendtrans-112.2-2.4-179.6-57.2177.1000112.5C1026 V1043 L1046 Q1047 F1050C1026-L1028 PolarHBondContact SG-N 3Å; L1028-V1043 HydrophobicContact CD1-CG1 4.2Å; L1028-L1046 HydrophobicContact CB-CD1 3.71Å; L1028-L1046 HydrophobicContact CD1-CB 4.04Å; L1028-Q1047 HydrophobicContact CD1-CG 4.2Å; L1028-F1050 HydrophobicContact CB-CE2 4.27Å
1029C92.5Very high92.5Very high43 Ų4372.2 Ų72.229%0.29138%0.378SS..SBendtrans-168.3176.5170.274.70000109.6C1026 E1031 H1042 L1046C1026-C1029 CarbonylContact C-O 3.51Å; C1026-C1029 VanDerWaalsContact CB-O 3.26Å; C1026-C1029 WeakPolarHBondContact CB-O 3.07Å; C1029-E1031 VanDerWaalsContact C-N 3.32Å; C1029-E1031 PolarHBondContact O-N 2.85Å; C1029-E1031 PolarHBondContact SG-N 3.11Å; C1029-H1042 VanDerWaalsContact SG-CE1 3.52Å; C1029-H1042 PolarHBondContact SG-NE2 3.06Å; C1029-L1046 HydrophobicContact CB-CD1 4.26Å
1030D89.3Confident92.6Very high149 Ų14975 Ų7580%0.79738%0.384SS*.SBendtrans-836.6-177.9-60.9-72.6000115.8K1032D1030-K1032 WeakPolarHBondContact O-CG 3.27Å; D1030-K1032 PolarHBondContact O-N 2.97Å
1031E91.1Very high92.8Very high104 Ų10480.5 Ų80.549%0.48639%0.391SS..  trans-63.7123.5-178.5-78.3-170.1-157.300112.3S1025 C1026 C1029 F1033 H1042S1025-E1031 CarbonylContact C-O 3.59Å; C1026-E1031 PolarHBondContact N-O 2.75Å; C1029-E1031 VanDerWaalsContact C-N 3.32Å; C1029-E1031 PolarHBondContact O-N 2.85Å; C1029-E1031 PolarHBondContact SG-N 3.11Å; E1031-F1033 HydrophobicContact CB-CE2 3.65Å; E1031-F1033 HydrophobicContact CB-CZ 3.79Å; E1031-F1033 WeakPolarHBondContact O-CD2 3.47Å; E1031-F1033 VanDerWaalsContact O-CE2 3.31Å; E1031-F1033 WeakPolarHBondContact O-CE2 3.45Å; E1031-F1033 VanDerWaalsContact OE2-CZ 3.25Å; E1031-F1033 WeakPolarHBondContact OE2-CZ 3.45Å; E1031-H1042 IonicContact OE1-CE1 3.86Å; E1031-H1042 IonicContact OE2-CE1 3.91Å; E1031-H1042 PolarHBondContact OE2-CE1 3.08Å; E1031-H1042 IonicContact OE2-ND1 2.74Å; E1031-H1042 PolarHBondContact OE2-ND1 2.72Å
1032K94.1Very high92.9Very high119 Ų11977.9 Ų77.952%0.51737%0.374SS..EExtended strand (participates in β ladder)trans-103.9129.4179.9-52.8-175.5-177.2174.20111.3K1022 D1030K1022-K1032 HydrophobicContact CB-CB 3.7Å; K1022-K1032 HydrophobicContact CD-CB 4.25Å; K1022-K1032 WeakPolarHBondContact CD-O 3.44Å; K1022-K1032 VanDerWaalsContact CE-O 3.26Å; K1022-K1032 WeakPolarHBondContact CE-O 3.23Å; K1022-K1032 HydrophobicContact CG-CB 4.49Å; K1022-K1032 WeakPolarHBondContact CG-O 3.31Å; K1022-K1032 PolarHBondContact NZ-O 2.93Å; D1030-K1032 WeakPolarHBondContact O-CG 3.27Å; D1030-K1032 PolarHBondContact O-N 2.97Å
1033F93.8Very high92.9Very high35 Ų3573.5 Ų73.515%0.15436%0.357CS..EExtended strand (participates in β ladder)trans-113.8149.3-174.2-62.4-86.2000112.9K1022 P1023 Y1024 C1026 E1031 R1035 D1038 K1039 H1042K1022-F1033 CarbonylContact C-O 3.54Å; K1022-F1033 VanDerWaalsContact C-O 3.26Å; K1022-F1033 VanDerWaalsContact CA-O 3.26Å; K1022-F1033 WeakPolarHBondContact CA-O 3.44Å; P1023-F1033 WeakPolarHBondContact CD-O 3.29Å; Y1024-F1033 PolarHBondContact N-O 2.67Å; Y1024-F1033 WeakPolarHBondContact O-CD2 3.42Å; Y1024-F1033 PolarHBondContact O-N 3.49Å; C1026-F1033 HydrophobicContact CB-CE2 4.39Å; E1031-F1033 HydrophobicContact CB-CE2 3.65Å; E1031-F1033 HydrophobicContact CB-CZ 3.79Å; E1031-F1033 WeakPolarHBondContact O-CD2 3.47Å; E1031-F1033 VanDerWaalsContact O-CE2 3.31Å; E1031-F1033 WeakPolarHBondContact O-CE2 3.45Å; E1031-F1033 VanDerWaalsContact OE2-CZ 3.25Å; E1031-F1033 WeakPolarHBondContact OE2-CZ 3.45Å; F1033-R1035 VanDerWaalsContact C-N 3.34Å; F1033-D1038 HydrophobicContact CB-CB 4.48Å; F1033-D1038 HydrophobicContact CD1-CB 3.99Å; F1033-K1039 HydrophobicContact CB-CB 4.29Å; F1033-K1039 HydrophobicContact CD2-CB 3.83Å; F1033-K1039 HydrophobicContact CD2-CG 4.47Å; F1033-K1039 HydrophobicContact CG-CB 4.18Å; F1033-H1042 HydrophobicContact CE1-CB 3.97Å; F1033-H1042 HydrophobicContact CE2-CB 3.93Å; F1033-H1042 AromaticContact CE2-CD2 3.82Å; F1033-H1042 AromaticContact CE2-CG 3.73Å; F1033-H1042 HydrophobicContact CZ-CB 3.4Å; F1033-H1042 AromaticContact CZ-CD2 3.88Å; F1033-H1042 AromaticContact CZ-CG 3.31Å; F1033-H1042 AromaticContact CZ-ND1 3.51Å
1034I94Very high92.9Very high35 Ų3576.8 Ų76.818%0.17936%0.36CS..SBendtrans-77.4-22176.7-60.4178.3000111.6R1016 L1017 K1022R1016-I1034 HydrophobicContact CB-CG2 3.61Å; L1017-I1034 HydrophobicContact CD2-CD1 3.76Å; L1017-I1034 HydrophobicContact CD2-CG2 4.1Å; K1022-I1034 HydrophobicContact CG-CD1 4.45Å; K1022-I1034 HydrophobicContact CG-CG1 3.59Å
1035R93.5Very high92.8Very high66 Ų6676.4 Ų76.425%0.24937%0.368CS..SBendtrans-135.4147.2-179.1-42.3-173.4-169.2111.8-5112.3R1013 F1033 E1037 D1038 K1039R1013-R1035 HydrophobicContact CG-CG 4.49Å; F1033-R1035 VanDerWaalsContact C-N 3.34Å; R1035-E1037 VanDerWaalsContact C-N 3.3Å; R1035-E1037 PolarHBondContact O-N 2.85Å; R1035-D1038 HydrophobicContact CB-CB 4.42Å; R1035-D1038 WeakPolarHBondContact CB-OD2 3Å; R1035-D1038 WeakPolarHBondContact CD-OD2 3.5Å; R1035-D1038 WeakPolarHBondContact CG-OD2 3.31Å; R1035-D1038 IonicContact CZ-OD2 3.23Å; R1035-D1038 IonicContact NE-OD2 2.72Å; R1035-D1038 IonicContact NH1-OD2 3.17Å; R1035-D1038 PolarHBondContact NH1-OD2 3.27Å; R1035-D1038 PolarHBondContact O-N 3.48Å; R1035-K1039 PolarHBondContact O-N 3.46Å
1036L93.4Very high92.7Very high65 Ų6575 Ų7534%0.3436%0.355SS..Hα-helixtrans-66.9-32.8178.1-178.360.8000112Y1024 D1038 K1039 K1040Y1024-L1036 HydrophobicContact CD1-CB 4.09Å; Y1024-L1036 HydrophobicContact CD1-CD1 4.02Å; Y1024-L1036 HydrophobicContact CD2-CB 4.42Å; Y1024-L1036 VanDerWaalsContact CD2-N 3.32Å; Y1024-L1036 HydrophobicContact CE1-CB 3.92Å; Y1024-L1036 HydrophobicContact CE1-CD1 4.37Å; Y1024-L1036 HydrophobicContact CE2-CB 4.25Å; Y1024-L1036 HydrophobicContact CG-CB 4.34Å; L1036-D1038 PolarHBondContact O-N 3.25Å; L1036-K1039 HydrophobicContact CD1-CD 4.24Å; L1036-K1039 PolarHBondContact O-N 2.88Å; L1036-K1040 HydrophobicContact CD1-CG 4.34Å; L1036-K1040 HydrophobicContact CG-CD 4.26Å; L1036-K1040 HydrophobicContact CG-CG 4.42Å; L1036-K1040 VanDerWaalsContact O-CB 3.31Å; L1036-K1040 WeakPolarHBondContact O-CB 3.42Å; L1036-K1040 WeakPolarHBondContact O-CG 3.13Å; L1036-K1040 PolarHBondContact O-N 3.45Å
1037E93Very high92.4Very high87 Ų8779.2 Ų79.241%0.40738%0.375SS..Hα-helixtrans-65.3-30.7176.7-56.198124.600112.3R1013 R1035 R1041R1013-E1037 IonicContact CZ-OE1 2.81Å; R1013-E1037 IonicContact CZ-OE2 3.9Å; R1013-E1037 IonicContact NH1-OE1 2.61Å; R1013-E1037 PolarHBondContact NH1-OE1 3.15Å; R1013-E1037 IonicContact NH1-OE2 2.72Å; R1013-E1037 VanDerWaalsContact NH2-CD 3.34Å; R1013-E1037 IonicContact NH2-OE1 3.93Å; R1013-E1037 PolarHBondContact NH2-OE1 3.41Å; R1013-E1037 IonicContact NH2-OE2 3.68Å; R1013-E1037 PolarHBondContact NH2-OE2 2.94Å; R1013-E1037 VanDerWaalsContact NH2-OE2 3.14Å; R1035-E1037 VanDerWaalsContact C-N 3.3Å; R1035-E1037 PolarHBondContact O-N 2.85Å; E1037-R1041 PolarHBondContact O-N 2.92Å; E1037-R1041 VanDerWaalsContact O-N 3.1Å
1038D93.1Very high92.2Very high38 Ų3878.3 Ų78.320%0.20337%0.37CS..Hα-helixtrans-78.7-45.6179.2-60.2-35.9000109.4F1033 R1035 L1036 K1040 R1041 H1042F1033-D1038 HydrophobicContact CB-CB 4.48Å; F1033-D1038 HydrophobicContact CD1-CB 3.99Å; R1035-D1038 HydrophobicContact CB-CB 4.42Å; R1035-D1038 WeakPolarHBondContact CB-OD2 3Å; R1035-D1038 WeakPolarHBondContact CD-OD2 3.5Å; R1035-D1038 WeakPolarHBondContact CG-OD2 3.31Å; R1035-D1038 IonicContact CZ-OD2 3.23Å; R1035-D1038 IonicContact NE-OD2 2.72Å; R1035-D1038 IonicContact NH1-OD2 3.17Å; R1035-D1038 PolarHBondContact NH1-OD2 3.27Å; R1035-D1038 PolarHBondContact O-N 3.48Å; L1036-D1038 PolarHBondContact O-N 3.25Å; D1038-K1040 PolarHBondContact O-N 2.81Å; D1038-R1041 WeakPolarHBondContact O-CB 3.42Å; D1038-R1041 PolarHBondContact O-N 3.35Å; D1038-R1041 IonicContact OD1-NH2 2.7Å; D1038-H1042 PolarHBondContact O-N 3.38Å
1039K95.8Very high92Very high26 Ų2680.7 Ų80.711%0.11337%0.374CS..Hα-helixtrans-51.1-51.9165.7172.6-177.1175.2162.80111.5S1025 E1027 F1033 R1035 L1036 R1041 H1042 V1043S1025-K1039 WeakPolarHBondContact O-CD 3.49Å; S1025-K1039 WeakPolarHBondContact O-CE 3.34Å; S1025-K1039 PolarHBondContact O-NZ 2.93Å; E1027-K1039 VanDerWaalsContact OE1-CE 3.28Å; E1027-K1039 WeakPolarHBondContact OE1-CE 3.09Å; E1027-K1039 IonicContact OE1-NZ 3.7Å; E1027-K1039 PolarHBondContact OE1-NZ 3.34Å; F1033-K1039 HydrophobicContact CB-CB 4.29Å; F1033-K1039 HydrophobicContact CD2-CB 3.83Å; F1033-K1039 HydrophobicContact CD2-CG 4.47Å; F1033-K1039 HydrophobicContact CG-CB 4.18Å; R1035-K1039 PolarHBondContact O-N 3.46Å; L1036-K1039 HydrophobicContact CD1-CD 4.24Å; L1036-K1039 PolarHBondContact O-N 2.88Å; K1039-R1041 PolarHBondContact O-N 3.26Å; K1039-H1042 PolarHBondContact O-N 3.11Å; K1039-V1043 HydrophobicContact CG-CG2 4.1Å; K1039-V1043 WeakPolarHBondContact O-CG2 3.38Å; K1039-V1043 PolarHBondContact O-N 2.92Å
1040K94.3Very high91.5Very high123 Ų12383.4 Ų83.454%0.53538%0.381SS..Hα-helixtrans-65.6-17.1-179.4-77.2-174.9176.4-1730113.4L1036 D1038 R1044L1036-K1040 HydrophobicContact CD1-CG 4.34Å; L1036-K1040 HydrophobicContact CG-CD 4.26Å; L1036-K1040 HydrophobicContact CG-CG 4.42Å; L1036-K1040 VanDerWaalsContact O-CB 3.31Å; L1036-K1040 WeakPolarHBondContact O-CB 3.42Å; L1036-K1040 WeakPolarHBondContact O-CG 3.13Å; L1036-K1040 PolarHBondContact O-N 3.45Å; D1038-K1040 PolarHBondContact O-N 2.81Å; K1040-R1044 VanDerWaalsContact O-CZ 3.31Å; K1040-R1044 PolarHBondContact O-NE 2.84Å; K1040-R1044 PolarHBondContact O-NH2 3.32Å
1041R94.1Very high91.1Very high161 Ų16180.4 Ų80.461%0.60837%0.372SS*.Hα-helixtrans-80.9-51.3169.9-170-171.4-50.5-168.97.2110E1037 D1038 K1039 V1043 R1044 S1045E1037-R1041 PolarHBondContact O-N 2.92Å; E1037-R1041 VanDerWaalsContact O-N 3.1Å; D1038-R1041 WeakPolarHBondContact O-CB 3.42Å; D1038-R1041 PolarHBondContact O-N 3.35Å; D1038-R1041 IonicContact OD1-NH2 2.7Å; K1039-R1041 PolarHBondContact O-N 3.26Å; R1041-V1043 PolarHBondContact O-N 3.11Å; R1041-R1044 PolarHBondContact O-N 2.95Å; R1041-R1044 VanDerWaalsContact O-N 3.12Å; R1041-S1045 PolarHBondContact O-N 3.4Å; R1041-S1045 VanDerWaalsContact O-N 3.08Å; R1041-S1045 PolarHBondContact O-OG 3.41Å
1042H94.2Very high89.8Confident23 Ų2382 Ų8211%0.10638%0.384CS..Hα-helixtrans-56.3-46.7178.7166.498.5000112.4C1026 C1029 E1031 F1033 D1038 K1039 R1044 S1045 L1046C1026-H1042 PolarHBondContact SG-CD2 3.2Å; C1026-H1042 PolarHBondContact SG-NE2 2.8Å; C1029-H1042 VanDerWaalsContact SG-CE1 3.52Å; C1029-H1042 PolarHBondContact SG-NE2 3.06Å; E1031-H1042 IonicContact OE1-CE1 3.86Å; E1031-H1042 IonicContact OE2-CE1 3.91Å; E1031-H1042 PolarHBondContact OE2-CE1 3.08Å; E1031-H1042 IonicContact OE2-ND1 2.74Å; E1031-H1042 PolarHBondContact OE2-ND1 2.72Å; F1033-H1042 HydrophobicContact CE1-CB 3.97Å; F1033-H1042 HydrophobicContact CE2-CB 3.93Å; F1033-H1042 AromaticContact CE2-CD2 3.82Å; F1033-H1042 AromaticContact CE2-CG 3.73Å; F1033-H1042 HydrophobicContact CZ-CB 3.4Å; F1033-H1042 AromaticContact CZ-CD2 3.88Å; F1033-H1042 AromaticContact CZ-CG 3.31Å; F1033-H1042 AromaticContact CZ-ND1 3.51Å; D1038-H1042 PolarHBondContact O-N 3.38Å; K1039-H1042 PolarHBondContact O-N 3.11Å; H1042-R1044 VanDerWaalsContact C-N 3.27Å; H1042-R1044 PolarHBondContact O-N 2.99Å; H1042-S1045 VanDerWaalsContact CA-OG 3.3Å; H1042-S1045 WeakPolarHBondContact CA-OG 3.21Å; H1042-S1045 PolarHBondContact O-N 3.36Å; H1042-S1045 VanDerWaalsContact O-N 3.12Å; H1042-S1045 PolarHBondContact O-OG 3.08Å; H1042-L1046 WeakPolarHBondContact NE2-CD1 3.32Å; H1042-L1046 PolarHBondContact O-N 3.18Å
1043V92.3Very high88.2Confident24 Ų2484.5 Ų84.515%0.14539%0.39CS..Hα-helixtrans-57.3-39.1176.3169.50000111.7L1028 K1039 R1041 L1046 Q1047L1028-V1043 HydrophobicContact CD1-CG1 4.2Å; K1039-V1043 HydrophobicContact CG-CG2 4.1Å; K1039-V1043 WeakPolarHBondContact O-CG2 3.38Å; K1039-V1043 PolarHBondContact O-N 2.92Å; R1041-V1043 PolarHBondContact O-N 3.11Å; V1043-L1046 PolarHBondContact O-N 3.37Å; V1043-Q1047 WeakPolarHBondContact O-CB 3.43Å; V1043-Q1047 VanDerWaalsContact O-CG 3.29Å; V1043-Q1047 WeakPolarHBondContact O-CG 3.49Å; V1043-Q1047 PolarHBondContact O-N 2.94Å
1044R92.7Very high86.3Confident136 Ų13685.4 Ų85.451%0.51341%0.41SS..Hα-helixtrans-71.5-36.6177-79.8177.5-69.8135.90.8112.9K1040 R1041 H1042 Q1047 H1048K1040-R1044 VanDerWaalsContact O-CZ 3.31Å; K1040-R1044 PolarHBondContact O-NE 2.84Å; K1040-R1044 PolarHBondContact O-NH2 3.32Å; R1041-R1044 PolarHBondContact O-N 2.95Å; R1041-R1044 VanDerWaalsContact O-N 3.12Å; H1042-R1044 VanDerWaalsContact C-N 3.27Å; H1042-R1044 PolarHBondContact O-N 2.99Å; R1044-Q1047 PolarHBondContact O-N 2.81Å; R1044-H1048 PolarHBondContact O-CD2 3.13Å; R1044-H1048 PolarHBondContact O-N 2.61Å; R1044-H1048 VanDerWaalsContact O-N 3.09Å
1045S91.7Very high84.1Confident65 Ų6588.5 Ų88.546%0.45543%0.434SS..Hα-helixtrans-66.9-37.1171.737.30000112.2R1041 H1042 H1048 Y1049R1041-S1045 PolarHBondContact O-N 3.4Å; R1041-S1045 VanDerWaalsContact O-N 3.08Å; R1041-S1045 PolarHBondContact O-OG 3.41Å; H1042-S1045 VanDerWaalsContact CA-OG 3.3Å; H1042-S1045 WeakPolarHBondContact CA-OG 3.21Å; H1042-S1045 PolarHBondContact O-N 3.36Å; H1042-S1045 VanDerWaalsContact O-N 3.12Å; H1042-S1045 PolarHBondContact O-OG 3.08Å; S1045-H1048 PolarHBondContact O-N 2.78Å; S1045-Y1049 WeakPolarHBondContact O-CB 3.34Å; S1045-Y1049 PolarHBondContact O-N 3.09Å
1046L90.3Very high81.9Confident30 Ų3092.6 Ų92.616%0.15746%0.461CS..Hα-helixtrans-65.7-42.3171.9-75.4-170.3000112.2L1028 C1029 H1042 V1043 H1048 Y1049 F1050L1028-L1046 HydrophobicContact CB-CD1 3.71Å; L1028-L1046 HydrophobicContact CD1-CB 4.04Å; C1029-L1046 HydrophobicContact CB-CD1 4.26Å; H1042-L1046 WeakPolarHBondContact NE2-CD1 3.32Å; H1042-L1046 PolarHBondContact O-N 3.18Å; V1043-L1046 PolarHBondContact O-N 3.37Å; L1046-H1048 VanDerWaalsContact C-N 3.32Å; L1046-H1048 PolarHBondContact O-N 2.93Å; L1046-Y1049 WeakPolarHBondContact O-CB 3.33Å; L1046-Y1049 PolarHBondContact O-N 3.38Å; L1046-Y1049 VanDerWaalsContact O-N 3.08Å; L1046-F1050 HydrophobicContact CB-CD2 4.14Å; L1046-F1050 HydrophobicContact CB-CE2 3.98Å; L1046-F1050 HydrophobicContact CD1-CE2 4.29Å; L1046-F1050 HydrophobicContact CD2-CE2 4.23Å; L1046-F1050 HydrophobicContact CG-CE2 4.41Å; L1046-F1050 WeakPolarHBondContact O-CD2 3.34Å; L1046-F1050 PolarHBondContact O-N 3.45Å
1047Q87.3Confident79.5Confident100 Ų10099.8 Ų99.847%0.46748%0.483SS..Hα-helixtrans-54.7-47.9173.4-77.4169.5-26.700111.2L1028 V1043 R1044 Y1049 F1050 S1051L1028-Q1047 HydrophobicContact CD1-CG 4.2Å; V1043-Q1047 WeakPolarHBondContact O-CB 3.43Å; V1043-Q1047 VanDerWaalsContact O-CG 3.29Å; V1043-Q1047 WeakPolarHBondContact O-CG 3.49Å; V1043-Q1047 PolarHBondContact O-N 2.94Å; R1044-Q1047 PolarHBondContact O-N 2.81Å; Q1047-Y1049 PolarHBondContact O-N 3.12Å; Q1047-F1050 PolarHBondContact O-N 3.11Å; Q1047-S1051 VanDerWaalsContact O-CB 3.3Å; Q1047-S1051 WeakPolarHBondContact O-CB 3.17Å; Q1047-S1051 PolarHBondContact O-N 3Å; Q1047-S1051 PolarHBondContact O-OG 3.32Å
1048H85.7Confident77Confident136 Ų136101.9 Ų101.963%0.6350%0.502SS*.Hα-helixtrans-63.1-39.6174.2-70.7-59.5000113.3R1044 S1045 L1046 N1052R1044-H1048 PolarHBondContact O-CD2 3.13Å; R1044-H1048 PolarHBondContact O-N 2.61Å; R1044-H1048 VanDerWaalsContact O-N 3.09Å; S1045-H1048 PolarHBondContact O-N 2.78Å; L1046-H1048 VanDerWaalsContact C-N 3.32Å; L1046-H1048 PolarHBondContact O-N 2.93Å; H1048-N1052 PolarHBondContact O-N 3.43Å; H1048-N1052 VanDerWaalsContact O-N 3.15Å
1049Y85.1Confident74.5Confident129 Ų129105.8 Ų105.851%0.50653%0.532SS..Hα-helixtrans-63.6-43.8178.2-173.5-93.9000112.5S1045 L1046 Q1047 R1053S1045-Y1049 WeakPolarHBondContact O-CB 3.34Å; S1045-Y1049 PolarHBondContact O-N 3.09Å; L1046-Y1049 WeakPolarHBondContact O-CB 3.33Å; L1046-Y1049 PolarHBondContact O-N 3.38Å; L1046-Y1049 VanDerWaalsContact O-N 3.08Å; Q1047-Y1049 PolarHBondContact O-N 3.12Å; Y1049-R1053 PolarHBondContact OH-NH2 3.33Å
1050F83.1Confident71.7Confident101 Ų101108 Ų10844%0.44356%0.562SS.*Hα-helixtrans-74-42.3177.8-68.3-59.4000112.3L1028 L1046 Q1047 N1052 R1053 G1054L1028-F1050 HydrophobicContact CB-CE2 4.27Å; L1046-F1050 HydrophobicContact CB-CD2 4.14Å; L1046-F1050 HydrophobicContact CB-CE2 3.98Å; L1046-F1050 HydrophobicContact CD1-CE2 4.29Å; L1046-F1050 HydrophobicContact CD2-CE2 4.23Å; L1046-F1050 HydrophobicContact CG-CE2 4.41Å; L1046-F1050 WeakPolarHBondContact O-CD2 3.34Å; L1046-F1050 PolarHBondContact O-N 3.45Å; Q1047-F1050 PolarHBondContact O-N 3.11Å; F1050-N1052 VanDerWaalsContact C-N 3.27Å; F1050-N1052 PolarHBondContact O-N 3.09Å; F1050-R1053 PolarHBondContact O-N 3.47Å; F1050-G1054 PolarHBondContact O-N 2.83Å; F1050-G1054 VanDerWaalsContact O-N 3.17Å
1051S81Confident69.6Low86 Ų86110.6 Ų110.660%0.60158%0.581SS**Hα-helixtrans-57.5-39.1175.8-68.90000112.5Q1047 R1053 G1054Q1047-S1051 VanDerWaalsContact O-CB 3.3Å; Q1047-S1051 WeakPolarHBondContact O-CB 3.17Å; Q1047-S1051 PolarHBondContact O-N 3Å; Q1047-S1051 PolarHBondContact O-OG 3.32Å; S1051-R1053 VanDerWaalsContact C-N 3.25Å; S1051-R1053 PolarHBondContact O-N 3.06Å; S1051-G1054 PolarHBondContact O-N 3.38Å
1052N63.2Low66.9Low138 Ų138110.4 Ų110.474%0.73859%0.592SS**Hα-helixtrans-70.3-16.3177.2-109.573.7000114.3H1048 F1050H1048-N1052 PolarHBondContact O-N 3.43Å; H1048-N1052 VanDerWaalsContact O-N 3.15Å; F1050-N1052 VanDerWaalsContact C-N 3.27Å; F1050-N1052 PolarHBondContact O-N 3.09Å
1053R61.8Low64.6Low170 Ų170116.7 Ų116.764%0.64263%0.626SS**Hα-helixtrans-89.7-20.4170.7-77.1-172.4169.9-167.2-3.1113.5Y1049 F1050 S1051 S1055Y1049-R1053 PolarHBondContact OH-NH2 3.33Å; F1050-R1053 PolarHBondContact O-N 3.47Å; S1051-R1053 VanDerWaalsContact C-N 3.25Å; S1051-R1053 PolarHBondContact O-N 3.06Å; R1053-S1055 VanDerWaalsContact C-N 3.29Å; R1053-S1055 PolarHBondContact O-N 3.43Å
1054G52.1Low62.3Low55 Ų55124.1 Ų124.157%0.56766%0.659SS**Hα-helixtrans-67.6-24178.600000114.5F1050 S1051 L1056F1050-G1054 PolarHBondContact O-N 2.83Å; F1050-G1054 VanDerWaalsContact O-N 3.17Å; S1051-G1054 PolarHBondContact O-N 3.38Å; G1054-L1056 VanDerWaalsContact C-N 3.27Å; G1054-L1056 PolarHBondContact O-N 2.81Å
1055S49.4Very low60.1Low100 Ų100125.8 Ų125.870%0.69968%0.677SS**THydrogen-bonded Turntrans-80.26.5-173.4-164.40000115.6R1053R1053-S1055 VanDerWaalsContact C-N 3.29Å; R1053-S1055 PolarHBondContact O-N 3.43Å
1056L46.7Very low57.7Low152 Ų152130.4 Ų130.480%0.79670%0.696SS**THydrogen-bonded Turntrans-114.425.6-177.9-68.1175.2000113G1054G1054-L1056 VanDerWaalsContact C-N 3.27Å; G1054-L1056 PolarHBondContact O-N 2.81Å
1057R42Very low55.3Low216 Ų216132.2 Ų132.282%0.81572%0.722SS**SBendtrans-140.539.3179.8-78.7-162163.8-158.2-5.3114.8
1058T41.2Very low52.9Low131 Ų131131.2 Ų131.280%0.80474%0.739SS**  trans-15193.3164.9490000109.5
1059S41.5Very low50.7Low120 Ų120130 Ų13084%0.83975%0.752SS**SBendtrans-157.976.8176.860.10000112
1060G36.3Very low48.4Very low71 Ų71127.3 Ų127.373%0.73276%0.764SS**SBendtrans7488.9165.100000116.2
1061L49.7Very low46.3Very low179 Ų179131 Ų13194%0.93779%0.787SS**  trans-175.268.2142.7-104170.2000108.9
1062D38.3Very low43.9Very low156 Ų156133.5 Ų133.583%0.83480%0.803SS**  trans-98.6111.4160.2-67.1-75.9000106.5
1063D44.5Very low42.8Very low156 Ų156131.7 Ų131.783%0.83481%0.808SS**  trans-177.3138.9139.7-105.7-35.3000112.4
1064Q44.9Very low41.4Very low179 Ų179129.4 Ų129.484%0.83680%0.804SS**  trans52.298.6150.5-161.7168105.100120.3
1065I45.7Very low40.7Very low171 Ų171133 Ų13388%0.87782%0.818SS**  -167140.1122.7-97.4153.4000108.8
1066D41.6Very low40.2Very low162 Ų162132.9 Ų132.987%0.86682%0.817SS**  trans-116.2154.3-174.4-169.515.4000112.1
1067G40.9Very low40Very low68 Ų68130.3 Ų130.370%0.70181%0.811SS**  trans76.2140.1171.900000116.8
1068G36.6Very low39.9Very low80 Ų80125.3 Ų125.383%0.82580%0.804SS**  trans139.771.4166.700000116.6
1069A39.8Very low39.8Very low110 Ų110126.5 Ų126.591%0.90981%0.805SS**  trans-22.5129.7173.100000119.8
1070G35.6Very low39.6Very low72 Ų72125.9 Ų125.974%0.74280%0.798SS**  trans127.3154.1130.700000118.9
1071L38.7Very low39.9Very low178 Ų178129.7 Ų129.793%0.93280%0.801SS**  trans66.2107.6167.1-52.8-178.6000117.5
1072C32.1Very low39.4Very low140 Ų140128.8 Ų128.895%0.94680%0.796SS**  trans-71.6132.5169.3-52.50000111.3
1073A39.9Very low39.4Very low100 Ų100125.7 Ų125.783%0.82679%0.792SS**  trans-138.2149170.100000110.5
1074E32.7Very low39.3Very low121 Ų121126.2 Ų126.257%0.56579%0.79SS**  trans-70.8150.7-173.6-87.3-151.4155.400114.6L588 S1076L588-E1074 VanDerWaalsContact CD1-OE2 3.31Å; L588-E1074 WeakPolarHBondContact CD1-OE2 3.36Å; E1074-S1076 PolarHBondContact O-N 3.16Å
1075P37Very low38.9Very low131 Ų131123.3 Ų123.385%0.85178%0.784SS**SBendtrans-78.351.9175.136.2-37.9000112.8
1076S38.5Very low38.5Very low97 Ų97123.2 Ų123.268%0.67879%0.785SS**  trans-119.19.8-170.6-143.10000114.8E1074E1074-S1076 PolarHBondContact O-N 3.16Å
1077S43.5Very low38.3Very low98 Ų98125 Ų12569%0.68579%0.788SS**SBendtrans-110.5-6.1-172.654.30000116
1078V40.1Very low38Very low111 Ų111125.9 Ų125.967%0.67380%0.797SS**  trans-107.443.9-163.6-156.40000114
1079L37.4Very low37.8Very low157 Ų157125.6 Ų125.682%0.82279%0.794SS**  trans-146.469.5171.6-83.1-177.7000113.9
1080P38.8Very low37.5Very low106 Ų106127 Ų12769%0.68879%0.791SS**SBendtrans-14049144.639.6-25.7000114.1
1081L42.6Very low37.3Very low151 Ų151130.5 Ų130.579%0.79179%0.793SS**SBendtrans-116.6-1.1177-94.2168.5000115.7
1082L37.4Very low37Very low160 Ų160127.2 Ų127.284%0.83878%0.78SS**SBendtrans-10612.9-174.6-152.569.9000114.2
1083A39.6Very low36.9Very low91 Ų91129.2 Ų129.275%0.75278%0.775SS**SBendtrans-107.4-4.6-174.400000114.6
1084Q42.6Very low36.4Very low167 Ų167130.7 Ų130.778%0.7878%0.775SS**SBendtrans-107.95.1-167.6-66.5-179-8.500114.7
1085T36.6Very low36.3Very low118 Ų118131 Ų13172%0.72479%0.79SS**SBendtrans-114.510-169.1-27.50000114.3
1086L36.5Very low36Very low170 Ų170132.9 Ų132.989%0.8979%0.787SS**SBendtrans-130.539.8-175.1-74.2175000113.7
1087Q38.4Very low35.8Very low200 Ų200136.8 Ų136.894%0.93579%0.792SS**  trans-146.379.5170.2-104.6155.314.200110.5
1088G32.8Very low35.2Very low85 Ų85139.5 Ų139.588%0.87679%0.794SS**  trans-156.1130.8173.100000110.9
1089G33.5Very low34.8Very low74 Ų74140.4 Ų140.476%0.76380%0.8SS**  trans129.752.4170.300000118.2
1090T34.2Very low34.5Very low139 Ų139136.1 Ų136.185%0.85379%0.794SS**  trans-175.4150140.737.70000110.3
1091N31.3Very low34.3Very low146 Ų146139.1 Ų139.178%0.78180%0.798SS**  cis-167.4160-35.1-147.2-3.9000108.2
1092V31Very low33.7Very low110 Ų110138.7 Ų138.767%0.66780%0.796SS**  trans76.2145160.5178.40000119.3
1093E29.7Very low33.3Very low181 Ų181135.4 Ų135.485%0.84679%0.786SS**  trans73.375.4164.5-83153.9-144.800120.8
1094T30.5Very low33Very low132 Ų132138.6 Ų138.681%0.8179%0.79SS**  trans-54.1142.6147.745.90000114.5
1095S30.5Very low32.6Very low126 Ų126133.7 Ų133.788%0.88178%0.784SS**  trans-151.6148.9136.9-152.20000110.3
1096E31Very low32.6Very low171 Ų171133.8 Ų133.880%0.79979%0.785SS**  trans-112.8157.1-164.8-59.5157.9128.500112
1097K34.1Very low32.5Very low180 Ų180132.1 Ų132.178%0.78378%0.777SS**  trans165.9134.7131.9-87.7-175.2174.2-169.60109.2
1098E31.3Very low32.5Very low154 Ų154129.6 Ų129.672%0.7277%0.765SS**  64.9141.155.2-63.4-161.3127.800113.2
1099T31.1Very low32.8Very low131 Ų131132.7 Ų132.780%0.80476%0.757SS**  cis-158.4171.2-3.29.30000109.5
1100G31.8Very low32.9Very low67 Ų67135.2 Ų135.269%0.69175%0.753SS**  trans106.5154.8156.700000116.5
1101E32.9Very low32.9Very low168 Ų168135.4 Ų135.479%0.78575%0.748SS**  cis-159.1148.9-8.2-104.4-163.7110.700110.1
1102L31.1Very low33Very low143 Ų143133.6 Ų133.675%0.74975%0.747SS**  trans41.9153.9141.9-85.773.5000122.6
1103C29.6Very low33.3Very low91 Ų91132.9 Ų132.962%0.61575%0.747SS**  cis-175.3170.8-22.1-133.20000110.8
1104N31.6Very low33.6Very low157 Ų157132.9 Ų132.984%0.8475%0.746SS**  trans62.8152.9158.9-52-25.7000117.1
1105G35.6Very low33.8Very low64 Ų64131 Ų13166%0.6673%0.734SS**  cis-164.1-174.4-6.700000107.2
1106T36Very low34.1Very low120 Ų120129.6 Ų129.674%0.73672%0.724SS**  cis-168.8156.92-20000107.8
1107D35.1Very low34.5Very low135 Ų135129.4 Ų129.472%0.72272%0.723SS**  trans63.2145.5151-49.9-21000120
1108E37Very low34.5Very low147 Ų147127.5 Ų127.569%0.68772%0.722SS**  cis-165.4168-14.2-120-150.7133.500111.4
1109Q40Very low34.7Very low150 Ų150128.8 Ų128.870%0.70173%0.728SS**  trans66.6145.6152.9-72.5174.953.700120.6
1110N35Very low35Very low127 Ų127126.9 Ų126.968%0.67972%0.72SS**  cis-168.1166.2-22.6-145-24000112
1111L34.9Very low35.3Very low144 Ų144133.2 Ų133.275%0.75473%0.732SS**  trans64.8118.5159.8-61.3165.3000118.3
1112S34Very low35.4Very low108 Ų108129.1 Ų129.176%0.75573%0.734SS**  95.7145.462.4-76.40000113.8
1113S36.6Very low35.7Very low95 Ų95127.1 Ų127.166%0.66474%0.739SS**  cis179.7155.7-10.351.80000112.2
1114H36.1Very low36.1Very low181 Ų181127 Ų12784%0.83874%0.744SS**  trans67.7159.5153.9-85.8-131.3000118.5
1115V35.4Very low36.3Very low91 Ų91125.8 Ų125.855%0.55274%0.743SS**  cis-159.7136.4-16.31140000105.8
1116S37.1Very low36.3Very low97 Ų97127.2 Ų127.268%0.67875%0.748SS**  72.9155.975.1-470000116.9
1117E38.3Very low36.3Very low167 Ų167125.6 Ų125.678%0.7875%0.747SS**  trans78.8155.8167.7-61.4166.4-150.200118.6
1118N33.8Very low36.5Very low141 Ų141126.5 Ų126.575%0.75475%0.747SS**  -175.4165-51.7-1099.5000110
1119E36.1Very low36.6Very low180 Ų180126.9 Ų126.984%0.84175%0.747SS**  trans64174.7164.1-35.1-150.5130.200117.8
1120S37.6Very low36.5Very low92 Ų92125.9 Ų125.964%0.64375%0.746SS**  -162.5172.2-65.664.10000110.2
1121E36.9Very low36.6Very low199 Ų199124 Ų12493%0.9374%0.743SS**  trans64.2169.1168.9-56.2-166.4158.300119.2
1122G36Very low36.6Very low82 Ų82125.7 Ų125.785%0.84575%0.747SS**  trans123.292.417000000116.1
1123A37.1Very low36.7Very low102 Ų102124.4 Ų124.484%0.84374%0.738SS**  trans-93.5165.7-175.400000115.6
1124A37.7Very low36.6Very low87 Ų87129.6 Ų129.672%0.71974%0.743SS**  trans102.5127.9138.200000122.4
1125T35.4Very low36.5Very low133 Ų133127.2 Ų127.282%0.81674%0.736SS**  trans75.910413647.90000123.6
1126A35.7Very low36.9Very low93 Ų93128 Ų12877%0.76974%0.743SS**  98.5147105.700000121.6
1127A37.7Very low36.8Very low87 Ų87131.8 Ų131.872%0.71975%0.751SS**  trans71.1147.8161.400000116.8
1128E37.6Very low36.8Very low153 Ų153131.4 Ų131.472%0.71575%0.749SS**  cis-166.1171.9-10.9-123.3170.3164.600111.4
1129F40.3Very low36.9Very low156 Ų156131.1 Ų131.168%0.68475%0.747SS**  trans61117.3158.9-60.2-56.4000124.1
1130D38.1Very low36.9Very low128 Ų128131.2 Ų131.268%0.68475%0.748SS**  76.4106.6124.3-71.4-43.6000125.8
1131S36.9Very low36.9Very low87 Ų87133.2 Ų133.261%0.60875%0.747SS**  57.6127.398.5-48.60000122.4
1132E35.4Very low36.9Very low180 Ų180128.7 Ų128.784%0.84174%0.735SS**  trans65.8156.1152.2-67-17676.600119.1
1133S34.9Very low36.9Very low82 Ų82129.8 Ų129.857%0.57372%0.722SS**  cis-165.1168-30.163.80000110.5
1134R35.2Very low37Very low203 Ų203131.8 Ų131.877%0.76672%0.718SS**  trans69.9123.5153.5-75.1-168.6167.9113.70.2122.9
1135D34.3Very low37.1Very low131 Ų131133.9 Ų133.970%0.70172%0.718SS**  69.4175.7126.9-44.7-24000117.6
1136P43.2Very low37.2Very low108 Ų108132.2 Ų132.270%0.70171%0.708SS**  -136.7-163.8-104.136.2-12.4000115.6
1137E34.9Very low37.1Very low177 Ų177136.3 Ų136.383%0.82771%0.708SS**  trans72.8158.5175.3-42-170.412800112.7
1138E38.1Very low36.8Very low158 Ų158139.5 Ų139.574%0.73871%0.713SS**  cis-147152.320.4-77-170.2152.700113.9
1139N35.6Very low36.6Very low135 Ų135136.3 Ų136.372%0.72271%0.713SS**  trans61.8157.2135.8-64.9-36.6000126.6
1140E37.3Very low36.4Very low183 Ų183134.4 Ų134.486%0.85572%0.719SS**  trans78143159.3-56.7-137.1135.400121.1
1141H37.2Very low36.1Very low134 Ų134135.7 Ų135.762%0.6272%0.72SS**  cis-165.4-177.3-24.8-174.946.4000110.1N1143H1141-N1143 PolarHBondContact CE1-OD1 2.86Å; H1141-N1143 PolarHBondContact NE2-ND2 3.02Å; H1141-N1143 PolarHBondContact NE2-OD1 3.13Å
1142C35.7Very low36Very low103 Ų103138.1 Ų138.170%0.69673%0.726SS**  trans87.6113.1174.5-57.60000116.4
1143N37.5Very low36Very low106 Ų106133.5 Ų133.557%0.56772%0.718SS**  cis90.7138.147.9-66.16000111.6H1141H1141-N1143 PolarHBondContact CE1-OD1 2.86Å; H1141-N1143 PolarHBondContact NE2-ND2 3.02Å; H1141-N1143 PolarHBondContact NE2-OD1 3.13Å
1144D39Very low36.1Very low143 Ų143136.3 Ų136.377%0.76573%0.726SS**  cis-158.4-179.9-3.1-84.5-30.7000108.1
1145D39.7Very low36.3Very low131 Ų131131.3 Ų131.370%0.70172%0.722SS**  -164177-56.3-175.729.1000108
1146T36.9Very low36.4Very low99 Ų99132.3 Ų132.361%0.60773%0.728SS**  trans73.5110.8163.251.80000121.4
1147K33.9Very low36.2Very low179 Ų179130.3 Ų130.378%0.77873%0.726SS**  42.2152109.9-62.4174.7-176.7163.90121.9
1148N32Very low36.1Very low153 Ų153129.3 Ų129.382%0.81873%0.727SS**  trans92.1124.8166.3-50.8-39.3000114
1149A32.8Very low35.9Very low86 Ų86130.3 Ų130.371%0.71173%0.731SS**  cis99.9147.131.400000113.5
1150S36.1Very low35.7Very low116 Ų116129.2 Ų129.281%0.81173%0.729SS**  trans71.4157.7-165.684.30000113.8
1151H32.2Very low35.6Very low155 Ų155127.2 Ų127.272%0.71872%0.723SS**  cis-157.6150.18.6-153.7-152.5000112.4
1152L34.1Very low35.6Very low138 Ų138127.9 Ų127.972%0.72373%0.726SS**  trans65.8134.1165-57.6169.9000117.3
1153A35.4Very low35.7Very low83 Ų83129.8 Ų129.869%0.68672%0.723SS**  cis86.1148.143.400000112.9
1154L37Very low35.7Very low142 Ų142131 Ų13174%0.74373%0.725SS**  cis-164.615921.3-140.3158000110.8
1155S38.8Very low35.6Very low97 Ų97130.7 Ų130.768%0.67872%0.723SS**  trans62.3158.6150.452.60000122
1156D38Very low35.6Very low153 Ų153131.7 Ų131.782%0.81873%0.734SS**  cis-172167.4-31.4-101.1-52000110.5
1157G39Very low35.6Very low65 Ų65136.2 Ų136.267%0.6775%0.749SS**  trans84.7101.1155.600000116.9
1158N32.5Very low35.9Very low157 Ų157135.4 Ų135.484%0.8475%0.753SS**  53.3113.567.6-70.7-29.3000117
1159H33.5Very low36.4Very low179 Ų179137.9 Ų137.983%0.82976%0.756SS**  -149139.4127.7-140.1-62.7000112.4
1160V31.6Very low36.5Very low112 Ų112142.2 Ų142.268%0.67977%0.767SS**  trans-125.7132.9-178.2172.90000110.4
1161I35.2Very low36.4Very low141 Ų141148.2 Ų148.272%0.72377%0.772SS**  trans-149109161.7-59.6-172.2000104.2
1162Q36Very low36.8Very low148 Ų148150 Ų15069%0.69278%0.78SS**  61140.984.4-62.1-179.841.300113.3
1163K37.8Very low36.9Very low143 Ų143152.1 Ų152.162%0.62279%0.789SS**  cis-163.41581.4-128.8170.2158.9-117.30110.8
1164E37.5Very low36.9Very low131 Ų131157.1 Ų157.161%0.61280%0.795SS**  trans62.1139143.9-79.6156.1176.500124.1
1165D38.7Very low36.9Very low136 Ų136156.6 Ų156.673%0.72780%0.798SS**  trans64.7100.4139.7-54.2-7.6000122
1166T39.4Very low36.9Very low153 Ų153161 Ų16194%0.93980%0.804SS**  -164.185.7117.311.40000111.5D1168T1166-D1168 PolarHBondContact O-N 3.22Å
1167E36.5Very low36.8Very low194 Ų194160.6 Ų160.691%0.90780%0.802SS**  trans-75.6107.5163.4-61.3-173.811800109.5
1168D40.2Very low36.6Very low162 Ų162166.4 Ų166.487%0.86681%0.811SS**  trans-173.163.5151-112.4-22.2000114.5T1166T1166-D1168 PolarHBondContact O-N 3.22Å
1169K41.5Very low36.8Very low205 Ų205167.3 Ų167.389%0.89181%0.811SS**  trans-151.98.8160.2-120.7159.5-169.7171.70116.6R1171K1169-R1171 VanDerWaalsContact C-N 3.3Å; K1169-R1171 PolarHBondContact O-N 2.74Å; K1169-R1171 VanDerWaalsContact O-N 3.08Å
1170L35Very low36.9Very low177 Ų177163.6 Ų163.693%0.92780%0.802SS**  trans-84.161.5177.1-169.577000111.4
1171R35.3Very low36.9Very low242 Ų242163.9 Ų163.991%0.91381%0.81SS**SBendtrans-148.115.9179.6-128.3177.3-164-84-0.1119.9K1169K1169-R1171 VanDerWaalsContact C-N 3.3Å; K1169-R1171 PolarHBondContact O-N 2.74Å; K1169-R1171 VanDerWaalsContact O-N 3.08Å
1172E39.7Very low36.9Very low191 Ų191163.4 Ų163.489%0.89381%0.808SS**SBendtrans-136.225.2170.9-158.7133.9-137.500114.4
1173M35.9Very low36.9Very low184 Ų184163.6 Ų163.691%0.90681%0.814SS**SBendtrans-136.8105.6168.5-73.4-175.3-77.400110.1
1174K36.1Very low36.9Very low187 Ų187164.8 Ų164.881%0.81383%0.827SS**  trans146.378150.2-169.6166-174.9172.10114.3
1175T37.5Very low36.8Very low132 Ų132163.8 Ų163.881%0.8183%0.825SS**  trans-151.6129.9157.447.80000108.7
1176K37.8Very low36.8Very low188 Ų188161.7 Ų161.782%0.81782%0.817SS**  cis-140.6133.5-22.4-77.3-179.3-179.7-179.70104
1177L36Very low36.7Very low146 Ų146162 Ų16276%0.76481%0.813SS**  70.973.664.4-162.390.8000113.7
1178E34.8Very low36.6Very low186 Ų186160.3 Ų160.387%0.86981%0.809SS**  trans174.6110.6156.6-99.6166.8147.500103.5
1179E35.8Very low36.2Very low176 Ų176160.7 Ų160.782%0.82280%0.799SS**  126.9162.659.4-128.1-163.4-162.400106.2
1180P36.2Very low35.8Very low101 Ų101159.1 Ų159.166%0.65680%0.799SS**  -120.5161.7-84.937.6-27.5000116.7
1181S32.4Very low35.7Very low119 Ų119155.3 Ų155.383%0.83278%0.783SS**  trans27.8108.6145.4-51.60000121
1182D35.4Very low35.7Very low130 Ų130148 Ų14870%0.69577%0.769SS**  trans-148.612.6151.1-138.3-4.6000114.2L1184D1182-L1184 VanDerWaalsContact C-N 3.25Å; D1182-L1184 PolarHBondContact O-N 3.19Å
1183D35Very low35.3Very low152 Ų152148.6 Ų148.681%0.81377%0.769SS**THydrogen-bonded Turntrans-80.459.4-177.6-88.5-42.2000113.6
1184L37.9Very low35.1Very low169 Ų169145 Ų14589%0.88575%0.752SS**THydrogen-bonded Turntrans-142.4-4163.7-108.1169.5000114.2D1182D1182-L1184 VanDerWaalsContact C-N 3.25Å; D1182-L1184 PolarHBondContact O-N 3.19Å
1185L35.3Very low35Very low109 Ų109145 Ų14557%0.57176%0.755SS**SBendtrans-114.89.4-173.1-100.7164.4000115.3
1186T39.6Very low34.8Very low92 Ų92146.1 Ų146.156%0.56475%0.749SS**SBendtrans-95.7-25.8-17640.30000114.2
1187N36.9Very low34.7Very low161 Ų161142 Ų14286%0.86174%0.736SS**SBendtrans-85.3-3.6178.1-77.9-52.9000114.8
1188L33.9Very low35Very low158 Ų158143 Ų14383%0.82773%0.734SS**  trans-119.742.4-178.8-137.979.3000113.9
1189R32.3Very low35.5Very low170 Ų170139.2 Ų139.264%0.64272%0.723SS**  trans-112.863.2173.6-87.5-169.2165.4104-7.5114T1191R1189-T1191 HydrophobicContact CB-CG2 4.15Å; R1189-T1191 HydrophobicContact CG-CG2 4Å; R1189-T1191 PolarHBondContact O-N 3.45Å
1190L32.9Very low35.8Very low172 Ų172140.1 Ų140.190%0.90172%0.719SS**  trans-67.866.8147.7-93.374.7000109.4S1192L1190-S1192 PolarHBondContact O-N 2.75Å
1191T33.6Very low35.9Very low96 Ų96138.3 Ų138.359%0.58971%0.709SS**  trans-72.186.8169.457.80000108.4R1189 K1193R1189-T1191 HydrophobicContact CB-CG2 4.15Å; R1189-T1191 HydrophobicContact CG-CG2 4Å; R1189-T1191 PolarHBondContact O-N 3.45Å; T1191-K1193 PolarHBondContact O-N 3.01Å
1192S34.4Very low36.5Very low88 Ų88141.8 Ų141.862%0.61570%0.703SS**  trans-56.7104.117653.20000109.4L1190 I1194L1190-S1192 PolarHBondContact O-N 2.75Å; S1192-I1194 PolarHBondContact O-N 3.01Å
1193K31.9Very low37.1Very low204 Ų204138.3 Ų138.389%0.88769%0.692SS**  trans-7349170.1-79.2-175.7176.6172.50111.2T1191 Q1195T1191-K1193 PolarHBondContact O-N 3.01Å; K1193-Q1195 VanDerWaalsContact C-N 3.33Å; K1193-Q1195 PolarHBondContact O-N 3.28Å
1194I31.9Very low37.6Very low108 Ų108133.7 Ų133.755%0.55468%0.675SS**  trans-70.697.2159.7-55.2165.8000105.2S1192 F1196S1192-I1194 PolarHBondContact O-N 3.01Å; I1194-F1196 HydrophobicContact CB-CD2 4.21Å; I1194-F1196 HydrophobicContact CG2-CD2 3.38Å; I1194-F1196 HydrophobicContact CG2-CE2 3.66Å; I1194-F1196 HydrophobicContact CG2-CG 3.99Å; I1194-F1196 HydrophobicContact CG2-CZ 4.45Å; I1194-F1196 PolarHBondContact O-N 2.8Å
1195Q33.9Very low38Very low188 Ų188131.1 Ų131.188%0.87966%0.662SS**  trans-65.781158-82.2-170.2-3500107.8K1193 N1197K1193-Q1195 VanDerWaalsContact C-N 3.33Å; K1193-Q1195 PolarHBondContact O-N 3.28Å; Q1195-N1197 PolarHBondContact O-N 3.41Å
1196F33.1Very low38.7Very low155 Ų155133.1 Ų133.168%0.6867%0.666SS**  trans-58.6112.4164.6-103.5-71.6000106.5I1194 K1198I1194-F1196 HydrophobicContact CB-CD2 4.21Å; I1194-F1196 HydrophobicContact CG2-CD2 3.38Å; I1194-F1196 HydrophobicContact CG2-CE2 3.66Å; I1194-F1196 HydrophobicContact CG2-CG 3.99Å; I1194-F1196 HydrophobicContact CG2-CZ 4.45Å; I1194-F1196 PolarHBondContact O-N 2.8Å; F1196-K1198 VanDerWaalsContact C-N 3.32Å; F1196-K1198 PolarHBondContact O-N 2.76Å
1197N36Very low39.1Very low102 Ų102135.8 Ų135.855%0.54567%0.672SS.*  trans-7390.4-169.4-161.8-5.1000108.3Q1195 T1199 R1200Q1195-N1197 PolarHBondContact O-N 3.41Å; N1197-T1199 PolarHBondContact O-N 3.17Å; N1197-T1199 PolarHBondContact OD1-OG1 3.11Å; N1197-T1199 VanDerWaalsContact OD1-OG1 3.08Å; N1197-R1200 HydrophobicContact CB-CB 4.29Å; N1197-R1200 WeakPolarHBondContact O-CB 2.96Å; N1197-R1200 PolarHBondContact O-N 3.35Å
1198K41.9Very low39.5Very low168 Ų168132.1 Ų132.173%0.7366%0.656SS**Hα-helixtrans-60.7-17.9-163.3-155.3170.8-174.1175.40113.7F1196F1196-K1198 VanDerWaalsContact C-N 3.32Å; F1196-K1198 PolarHBondContact O-N 2.76Å
1199T45Very low40Very low105 Ų105131.2 Ų131.264%0.64465%0.647SS**Hα-helixtrans-76.4-36.8170.249.10000113.2N1197 R1202 A1203N1197-T1199 PolarHBondContact O-N 3.17Å; N1197-T1199 PolarHBondContact OD1-OG1 3.11Å; N1197-T1199 VanDerWaalsContact OD1-OG1 3.08Å; T1199-R1202 PolarHBondContact O-N 2.73Å; T1199-A1203 PolarHBondContact O-N 3.32Å
1200R42.7Very low40.7Very low196 Ų196127.9 Ų127.974%0.7465%0.646SS**Hα-helixtrans-72.1-37.4-177-160.3175.5-167.5-177.92.9112.7N1197 R1202 A1203 A1204N1197-R1200 HydrophobicContact CB-CB 4.29Å; N1197-R1200 WeakPolarHBondContact O-CB 2.96Å; N1197-R1200 PolarHBondContact O-N 3.35Å; R1200-R1202 VanDerWaalsContact C-N 3.34Å; R1200-A1203 PolarHBondContact O-N 2.76Å; R1200-A1204 PolarHBondContact O-N 2.73Å
1201C38.2Very low41.2Very low63 Ų63122.9 Ų122.943%0.42663%0.63SS.*Hα-helixtrans-67.7-34.6173.4-610000112A1203 A1204 L1205C1201-A1203 VanDerWaalsContact C-N 3.35Å; C1201-A1204 PolarHBondContact O-N 3.25Å; C1201-L1205 WeakPolarHBondContact O-CB 3.11Å; C1201-L1205 PolarHBondContact O-N 3.13Å
1202R45.5Very low41.7Very low192 Ų192123.9 Ų123.973%0.72564%0.635SS**Hα-helixtrans-69.9-27.3175.7-80.7-176.3168.3-173.4-4.9113.8T1199 R1200 K1206T1199-R1202 PolarHBondContact O-N 2.73Å; R1200-R1202 VanDerWaalsContact C-N 3.34Å; R1202-K1206 VanDerWaalsContact O-CB 3.29Å; R1202-K1206 WeakPolarHBondContact O-CB 3.34Å; R1202-K1206 PolarHBondContact O-N 2.97Å
1203A46.6Very low42.1Very low56 Ų56126.6 Ų126.646%0.46364%0.643SS.*Hα-helixtrans-67.3-57.9168.900000110.5T1199 R1200 C1201 L1205 K1206 E1207T1199-A1203 PolarHBondContact O-N 3.32Å; R1200-A1203 PolarHBondContact O-N 2.76Å; C1201-A1203 VanDerWaalsContact C-N 3.35Å; A1203-L1205 PolarHBondContact O-N 3.48Å; A1203-K1206 PolarHBondContact O-N 3.24Å; A1203-K1206 VanDerWaalsContact O-N 3.09Å; A1203-E1207 WeakPolarHBondContact O-CB 3.12Å; A1203-E1207 PolarHBondContact O-N 2.79Å
1204A45.7Very low42.5Very low55 Ų55120.4 Ų120.446%0.45563%0.625SS.*Hα-helixtrans-57.7-43.7-177.200000113.3R1200 C1201 K1206 E1207 T1208R1200-A1204 PolarHBondContact O-N 2.73Å; C1201-A1204 PolarHBondContact O-N 3.25Å; A1204-K1206 PolarHBondContact O-N 2.87Å; A1204-E1207 PolarHBondContact O-N 3.22Å; A1204-T1208 PolarHBondContact O-N 2.97Å; A1204-T1208 PolarHBondContact O-OG1 3.38Å; A1204-T1208 VanDerWaalsContact O-OG1 3.09Å
1205L46.1Very low42.8Very low116 Ų116120.5 Ų120.561%0.60764%0.636SS**Hα-helixtrans-63.5-39.9176.5-98156.3000112.8C1201 A1203 T1208 Q1209C1201-L1205 WeakPolarHBondContact O-CB 3.11Å; C1201-L1205 PolarHBondContact O-N 3.13Å; A1203-L1205 PolarHBondContact O-N 3.48Å; L1205-T1208 WeakPolarHBondContact CA-OG1 3.45Å; L1205-T1208 PolarHBondContact O-OG1 3.49Å; L1205-Q1209 WeakPolarHBondContact O-CB 3.44Å; L1205-Q1209 PolarHBondContact O-N 3.11Å
1206K50.3Low43Very low151 Ų151116.5 Ų116.566%0.65763%0.628SS**Hα-helixtrans-74.1-34.6-178.5-162.3172.6-173.6-177.40111.9R1202 A1203 A1204 Q1209 T1210R1202-K1206 VanDerWaalsContact O-CB 3.29Å; R1202-K1206 WeakPolarHBondContact O-CB 3.34Å; R1202-K1206 PolarHBondContact O-N 2.97Å; A1203-K1206 PolarHBondContact O-N 3.24Å; A1203-K1206 VanDerWaalsContact O-N 3.09Å; A1204-K1206 PolarHBondContact O-N 2.87Å; K1206-Q1209 PolarHBondContact O-N 3.17Å; K1206-T1210 PolarHBondContact O-N 3.09Å; K1206-T1210 PolarHBondContact O-OG1 2.83Å; K1206-T1210 VanDerWaalsContact O-OG1 3.11Å
1207E47.8Very low43.2Very low147 Ų147117.6 Ų117.669%0.68764%0.636SS**Hα-helixtrans-65.8-38.9174.4-160161.6-141.700111.2A1203 A1204 T1210A1203-E1207 WeakPolarHBondContact O-CB 3.12Å; A1203-E1207 PolarHBondContact O-N 2.79Å; A1204-E1207 PolarHBondContact O-N 3.22Å; E1207-T1210 PolarHBondContact O-OG1 3.3Å
1208T45.3Very low43.2Very low84 Ų84120.2 Ų120.252%0.51565%0.65SS.*Hα-helixtrans-69.9-36.2168.6490000113.3A1204 L1205 T1210 A1211 V1212A1204-T1208 PolarHBondContact O-N 2.97Å; A1204-T1208 PolarHBondContact O-OG1 3.38Å; A1204-T1208 VanDerWaalsContact O-OG1 3.09Å; L1205-T1208 WeakPolarHBondContact CA-OG1 3.45Å; L1205-T1208 PolarHBondContact O-OG1 3.49Å; T1208-T1210 VanDerWaalsContact C-N 3.28Å; T1208-T1210 PolarHBondContact O-N 3.39Å; T1208-A1211 PolarHBondContact O-N 3.15Å; T1208-A1211 VanDerWaalsContact O-N 3.12Å; T1208-V1212 WeakPolarHBondContact O-CG2 3.28Å
1209Q45.3Very low42.7Very low139 Ų139118.6 Ų118.665%0.6566%0.658SS**Hα-helixtrans-69.9-24.6-180-131.3168.43.900113L1205 K1206L1205-Q1209 WeakPolarHBondContact O-CB 3.44Å; L1205-Q1209 PolarHBondContact O-N 3.11Å; K1206-Q1209 PolarHBondContact O-N 3.17Å
1210T46.1Very low41.9Very low100 Ų100119.8 Ų119.861%0.61367%0.669SS**THydrogen-bonded Turntrans-80.3-15.4171.143.90000114.3K1206 E1207 T1208K1206-T1210 PolarHBondContact O-N 3.09Å; K1206-T1210 PolarHBondContact O-OG1 2.83Å; K1206-T1210 VanDerWaalsContact O-OG1 3.11Å; E1207-T1210 PolarHBondContact O-OG1 3.3Å; T1208-T1210 VanDerWaalsContact C-N 3.28Å; T1208-T1210 PolarHBondContact O-N 3.39Å
1211A44.6Very low41.7Very low68 Ų68119.6 Ų119.656%0.56268%0.676SS**THydrogen-bonded Turntrans-92.4-9.3-178.900000114.1T1208T1208-A1211 PolarHBondContact O-N 3.15Å; T1208-A1211 VanDerWaalsContact O-N 3.12Å
1212V43.2Very low41.5Very low117 Ų117124.3 Ų124.371%0.70970%0.697SS**SBendtrans-98.8-9.9-175.4173.60000112.9T1208T1208-V1212 WeakPolarHBondContact O-CG2 3.28Å
1213N42.6Very low41Very low144 Ų144123 Ų12377%0.7770%0.702SS**SBendtrans-10022.7-176.5-68.1-1.4000113.6
1214S41Very low40.5Very low75 Ų75129.5 Ų129.552%0.52472%0.72SS.*SBendtrans-152.7132-179.155.80000111.1
1215S38.6Very low40.1Very low110 Ų110132.5 Ų132.577%0.76973%0.733SS**  trans54.499.4-172.350.50000114.4
1216S38.2Very low39.7Very low103 Ų103132.4 Ų132.472%0.7274%0.739SS**  89.79660.170.10000113.8
1217E36.9Very low39.1Very low179 Ų179131 Ų13184%0.83674%0.743SS**  trans65.8135.8146.9-59.2178166.900120.3
1218N34.9Very low38.4Very low157 Ų157130 Ų13084%0.8475%0.746SS**  trans58.775.8161.2-62.3-13000119.3
1219C31Very low38Very low133 Ų133130.1 Ų130.190%0.89975%0.747SS**  -161.7129.8124.4-109.10000110.6
1220C30.1Very low37.4Very low131 Ų131130.9 Ų130.989%0.88576%0.755SS**  trans-127.7100.4179.3-78.60000110.7
1221E37.4Very low36.8Very low191 Ų191134.5 Ų134.589%0.89376%0.762SS**  trans-130.1149.6164.6-74-155.7115.700111.1I1223E1221-I1223 PolarHBondContact O-N 2.96Å
1222L34.6Very low36.5Very low163 Ų163137.7 Ų137.785%0.85378%0.775SS**  trans-86.5105.1-163.7-74.777.8000112.5K1224L1222-K1224 PolarHBondContact O-N 2.74Å
1223I35.4Very low36.1Very low163 Ų163137.9 Ų137.984%0.83678%0.777SS**  trans-70.892.1165.2-57.1180000109.4E1221 V1225E1221-I1223 PolarHBondContact O-N 2.96Å; I1223-V1225 PolarHBondContact O-N 3.48Å
1224K36.3Very low35.8Very low193 Ų193138.9 Ų138.984%0.83978%0.782SS**  trans-61.4113173.1-93.4175.4175.8166.20110.9L1222L1222-K1224 PolarHBondContact O-N 2.74Å
1225V35.7Very low35.6Very low119 Ų119143.8 Ų143.872%0.72180%0.802SS**  trans-76.3125.5169.9179.80000109.4I1223 T1227I1223-V1225 PolarHBondContact O-N 3.48Å; V1225-T1227 PolarHBondContact O-N 2.64Å; V1225-T1227 VanDerWaalsContact O-N 3.12Å
1226P39.3Very low35.6Very low113 Ų113143.2 Ų143.273%0.73481%0.805SS**  trans-72.6107.4-179.428.2-33.8000111V1228P1226-V1228 PolarHBondContact O-N 3.31Å
1227T36.4Very low35.5Very low121 Ų121145 Ų14574%0.74281%0.811SS**  trans-75.4112.6172.9-61.10000109.4V1225 V1229V1225-T1227 PolarHBondContact O-N 2.64Å; V1225-T1227 VanDerWaalsContact O-N 3.12Å; T1227-V1229 HydrophobicContact CG2-CG2 4.05Å; T1227-V1229 PolarHBondContact O-N 2.62Å
1228V34.1Very low35.5Very low126 Ų126144 Ų14476%0.76481%0.812SS**  trans-78.590.8178.1-178.30000109.5P1226 L1230P1226-V1228 PolarHBondContact O-N 3.31Å; V1228-L1230 PolarHBondContact O-N 2.92Å
1229V35.4Very low35.7Very low87 Ų87140.6 Ų140.653%0.52780%0.8SS.*  trans-80.7112.8173.1-175.90000109.5T1227 F1231T1227-V1229 HydrophobicContact CG2-CG2 4.05Å; T1227-V1229 PolarHBondContact O-N 2.62Å; V1229-F1231 HydrophobicContact CB-CD2 4.32Å; V1229-F1231 HydrophobicContact CB-CE2 3.99Å; V1229-F1231 HydrophobicContact CG1-CD2 3.8Å; V1229-F1231 HydrophobicContact CG1-CE1 4.36Å; V1229-F1231 HydrophobicContact CG1-CE2 3.49Å; V1229-F1231 VanDerWaalsContact CG1-CE2 3.49Å; V1229-F1231 HydrophobicContact CG1-CG 4.36Å; V1229-F1231 HydrophobicContact CG1-CZ 3.81Å; V1229-F1231 PolarHBondContact O-N 3.47Å
1230L34.4Very low36.1Very low156 Ų156143.4 Ų143.482%0.81780%0.797SS**  trans-82.193.7171.9-75.8169.5000109.9V1228 T1232V1228-L1230 PolarHBondContact O-N 2.92Å; L1230-T1232 PolarHBondContact O-N 3.24Å
1231F32.2Very low36.5Very low175 Ų175142.7 Ų142.777%0.76879%0.794SS**  trans-74.4104.8168.1-73.7-80.9000110.6V1229V1229-F1231 HydrophobicContact CB-CD2 4.32Å; V1229-F1231 HydrophobicContact CB-CE2 3.99Å; V1229-F1231 HydrophobicContact CG1-CD2 3.8Å; V1229-F1231 HydrophobicContact CG1-CE1 4.36Å; V1229-F1231 HydrophobicContact CG1-CE2 3.49Å; V1229-F1231 VanDerWaalsContact CG1-CE2 3.49Å; V1229-F1231 HydrophobicContact CG1-CG 4.36Å; V1229-F1231 HydrophobicContact CG1-CZ 3.81Å; V1229-F1231 PolarHBondContact O-N 3.47Å
1232T37.9Very low36.3Very low136 Ų136138.9 Ų138.983%0.83479%0.788SS**  trans-91.2132.8153.347.20000108.3L1230L1230-T1232 PolarHBondContact O-N 3.24Å
1233T35.3Very low36.6Very low121 Ų121137 Ų13774%0.74278%0.783SS**  trans-121.4110.7179.539.60000110
1234D37.5Very low36.7Very low165 Ų165136.4 Ų136.488%0.88278%0.782SS**  trans-139.9120.9162.6-92.3-52.2000107.3A1236D1234-A1236 PolarHBondContact O-N 2.64Å
1235N35.9Very low36.9Very low177 Ų177139 Ų13995%0.94780%0.804SS**  trans-83.8110.5-175.9-83.8-29.3000110.7
1236A38.8Very low36.9Very low99 Ų99140 Ų14082%0.81881%0.808SS**  trans-137.5119.6157.700000109.2D1234D1234-A1236 PolarHBondContact O-N 2.64Å
1237T36.5Very low36.8Very low140 Ų140141.4 Ų141.486%0.85981%0.812SS**  trans-67.2127.6179.848.10000111.9
1238D37.3Very low36.8Very low159 Ų159142.5 Ų142.585%0.8582%0.815SS**  -155.6177.1129.6-134.2-42.7000112.2
1239S38.7Very low37Very low85 Ų85143.5 Ų143.559%0.59482%0.818SS**  trans-119.6157.1-149.4620000117
1240K38.8Very low37.1Very low191 Ų191147 Ų14783%0.8384%0.837SS**  trans100.5153.5154.7-62.5172.7-179.2172.10120.7
1241S37.6Very low37.3Very low117 Ų117146.4 Ų146.482%0.81884%0.838SS**  trans65.585.9161.141.50000119
1242S34.9Very low37.6Very low111 Ų111144.4 Ų144.478%0.77684%0.843SS**  trans-52.2145.9146.6-26.20000112.2
1243T39Very low37.6Very low122 Ų122145 Ų14575%0.74884%0.844SS**  176.4131.7106.237.90000112.9
1244N38.4Very low37.8Very low151 Ų151147 Ų14781%0.80785%0.852SS**  trans46.599.6143.5-53.6-7.1000120.6
1245L40.1Very low37.8Very low247 Ų247145.4 Ų145.4100%1.29385%0.849SS**  -158.30117.9-117.3166.7000111

Retrieved 1,245 of 1,245 residues in 1375.1 ms (Link to these results)