A0A3Q0KUS0_SCHMA Loading...

Neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule

AlphaFold DB , UniProt , Accession A0A3Q0KUS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,314 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M43Very low49.8Very low196 Ų196120.9 Ų120.997%0.96659%0.586SS**  0-90.50-69-154.5-81.400113I3 E4 Y5M1-I3 PolarHBondContact O-N 2.89Å; M1-E4 WeakPolarHBondContact CA-OE2 3.24Å; M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 PolarHBondContact O-N 3.48Å; M1-Y5 PolarHBondContact O-N 3.43Å
2F42.5Very low49Very low186 Ų186126.8 Ų126.882%0.81660%0.598SS**THydrogen-bonded Turntrans-55.8-30.8-170.4-143.7-83.2000114.1I6F2-I6 HydrophobicContact CD1-CD1 4.32Å; F2-I6 WeakPolarHBondContact O-CD1 3.31Å; F2-I6 WeakPolarHBondContact O-CG1 3.37Å
3I51.9Low48.5Very low124 Ų124125.5 Ų125.564%0.63660%0.595SS**THydrogen-bonded Turntrans-78.3-32.6179.8-60.3173.5000112.9M1 I6 Y7M1-I3 PolarHBondContact O-N 2.89Å; I3-I6 WeakPolarHBondContact O-CB 3.43Å; I3-I6 PolarHBondContact O-N 3.37Å; I3-Y7 HydrophobicContact CG2-CD2 4.44Å; I3-Y7 HydrophobicContact CG2-CE2 4.16Å; I3-Y7 WeakPolarHBondContact O-CD2 3.41Å
4E51.2Low48Very low137 Ų137123.9 Ų123.964%0.6459%0.59SS**Hα-helixtrans-77.8-34.5-175.9-70.3154.9118.900112M1 I6 Y7 S8M1-E4 WeakPolarHBondContact CA-OE2 3.24Å; M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 PolarHBondContact O-N 3.48Å; E4-I6 PolarHBondContact O-N 3.47Å; E4-Y7 PolarHBondContact O-N 2.85Å; E4-Y7 VanDerWaalsContact O-N 3.1Å; E4-S8 PolarHBondContact O-N 3.33Å
5Y53.6Low47.1Very low173 Ų173127.4 Ų127.468%0.67860%0.595SS**Hα-helixtrans-67.2-22.3174.8-149.1-88.3000112.5M1 S8 T9M1-Y5 PolarHBondContact O-N 3.43Å; Y5-S8 PolarHBondContact O-OG 2.78Å; Y5-S8 VanDerWaalsContact O-OG 3.13Å; Y5-T9 HydrophobicContact CD1-CG2 3.98Å; Y5-T9 HydrophobicContact CE1-CG2 3.92Å; Y5-T9 WeakPolarHBondContact O-CG2 3.48Å; Y5-T9 PolarHBondContact O-N 2.9Å; Y5-T9 PolarHBondContact O-OG1 3.27Å
6I53.7Low46.6Very low74 Ų74124.7 Ų124.738%0.37959%0.585SS.*Hα-helixtrans-70.7-38.9171.8-70.1168.8000110.4F2 I3 E4 S8 T9 I10F2-I6 HydrophobicContact CD1-CD1 4.32Å; F2-I6 WeakPolarHBondContact O-CD1 3.31Å; F2-I6 WeakPolarHBondContact O-CG1 3.37Å; I3-I6 WeakPolarHBondContact O-CB 3.43Å; I3-I6 PolarHBondContact O-N 3.37Å; E4-I6 PolarHBondContact O-N 3.47Å; I6-S8 PolarHBondContact O-N 3.36Å; I6-T9 PolarHBondContact O-N 2.88Å; I6-T9 PolarHBondContact O-OG1 3.39Å; I6-I10 HydrophobicContact CG2-CD1 3.45Å; I6-I10 VanDerWaalsContact CG2-CD1 3.45Å; I6-I10 HydrophobicContact CG2-CG1 4Å; I6-I10 WeakPolarHBondContact O-CB 3.45Å; I6-I10 VanDerWaalsContact O-CG1 3.29Å; I6-I10 WeakPolarHBondContact O-CG1 3.09Å; I6-I10 PolarHBondContact O-N 3.27Å
7Y53.7Low46Very low173 Ų173120.6 Ų120.668%0.67857%0.574SS**Hα-helixtrans-70.7-27.3178.9-82.4-76.2000114.4I3 E4 P11I3-Y7 HydrophobicContact CG2-CD2 4.44Å; I3-Y7 HydrophobicContact CG2-CE2 4.16Å; I3-Y7 WeakPolarHBondContact O-CD2 3.41Å; E4-Y7 PolarHBondContact O-N 2.85Å; E4-Y7 VanDerWaalsContact O-N 3.1Å; Y7-P11 WeakPolarHBondContact O-CD 3.45Å
8S53Low45.3Very low72 Ų72117.2 Ų117.250%0.50357%0.568SS.*Hα-helixtrans-79.7-23.9172.759.60000113.6E4 Y5 I6E4-S8 PolarHBondContact O-N 3.33Å; Y5-S8 PolarHBondContact O-OG 2.78Å; Y5-S8 VanDerWaalsContact O-OG 3.13Å; I6-S8 PolarHBondContact O-N 3.36Å
9T53.7Low44.6Very low48 Ų48118.1 Ų118.129%0.29457%0.566SS.*Hα-helixtrans-97.7-28.9-17651.20000114.1Y5 I6 W12 I13Y5-T9 HydrophobicContact CD1-CG2 3.98Å; Y5-T9 HydrophobicContact CE1-CG2 3.92Å; Y5-T9 WeakPolarHBondContact O-CG2 3.48Å; Y5-T9 PolarHBondContact O-N 2.9Å; Y5-T9 PolarHBondContact O-OG1 3.27Å; I6-T9 PolarHBondContact O-N 2.88Å; I6-T9 PolarHBondContact O-OG1 3.39Å; T9-W12 WeakPolarHBondContact O-CB 3.16Å; T9-W12 PolarHBondContact O-N 3.31Å; T9-W12 VanDerWaalsContact O-N 3.08Å; T9-I13 WeakPolarHBondContact O-CG1 3.45Å; T9-I13 PolarHBondContact O-N 2.82Å
10I47.1Very low43.9Very low74 Ų74120 Ų12038%0.37958%0.575SS.*Hα-helixtrans-53.1-45.8173.7-78.6171.3000112.7I6 W12 I13 I14I6-I10 HydrophobicContact CG2-CD1 3.45Å; I6-I10 VanDerWaalsContact CG2-CD1 3.45Å; I6-I10 HydrophobicContact CG2-CG1 4Å; I6-I10 WeakPolarHBondContact O-CB 3.45Å; I6-I10 VanDerWaalsContact O-CG1 3.29Å; I6-I10 WeakPolarHBondContact O-CG1 3.09Å; I6-I10 PolarHBondContact O-N 3.27Å; I10-W12 VanDerWaalsContact C-N 3.28Å; I10-W12 PolarHBondContact O-N 2.81Å; I10-I13 PolarHBondContact O-N 2.68Å; I10-I14 HydrophobicContact CG2-CD1 3.62Å; I10-I14 HydrophobicContact CG2-CG1 4.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.4Å; I10-I14 PolarHBondContact O-N 3.23Å
11P44Very low43.3Very low73 Ų73120.9 Ų120.947%0.47458%0.582SS.*Hα-helixtrans-60-36.9177.1-25.635.6000113Y7 W15Y7-P11 WeakPolarHBondContact O-CD 3.45Å; P11-W15 VanDerWaalsContact O-CB 3.27Å; P11-W15 WeakPolarHBondContact O-CB 3.28Å; P11-W15 PolarHBondContact O-N 2.85Å
12W40.5Very low42.5Very low192 Ų192117.8 Ų117.873%0.72757%0.569SS**Hα-helixtrans-69.5-39.3175.6-9057.8000112.5T9 I10 W15 I16T9-W12 WeakPolarHBondContact O-CB 3.16Å; T9-W12 PolarHBondContact O-N 3.31Å; T9-W12 VanDerWaalsContact O-N 3.08Å; I10-W12 VanDerWaalsContact C-N 3.28Å; I10-W12 PolarHBondContact O-N 2.81Å; W12-W15 PolarHBondContact O-N 2.96Å; W12-I16 WeakPolarHBondContact O-CB 3.14Å; W12-I16 VanDerWaalsContact O-CG1 3.29Å; W12-I16 WeakPolarHBondContact O-CG1 3.35Å; W12-I16 PolarHBondContact O-N 2.8Å
13I42.1Very low42Very low109 Ų109113.9 Ų113.956%0.55956%0.562SS**Hα-helixtrans-68-40.7176.6-65.1165000110.6T9 I10 S17T9-I13 WeakPolarHBondContact O-CG1 3.45Å; T9-I13 PolarHBondContact O-N 2.82Å; I10-I13 PolarHBondContact O-N 2.68Å; I13-S17 WeakPolarHBondContact O-CB 3.4Å; I13-S17 PolarHBondContact O-N 2.88Å; I13-S17 PolarHBondContact O-OG 2.77Å
14I41.5Very low41.2Very low103 Ų103114.3 Ų114.353%0.52857%0.566SS.*Hα-helixtrans-64.1-41.9172.4-66.9172.2000110.4I10 S17 A18I10-I14 HydrophobicContact CG2-CD1 3.62Å; I10-I14 HydrophobicContact CG2-CG1 4.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.4Å; I10-I14 PolarHBondContact O-N 3.23Å; I14-S17 WeakPolarHBondContact CA-OG 3.33Å; I14-S17 PolarHBondContact O-N 2.87Å; I14-S17 PolarHBondContact O-OG 2.99Å; I14-S17 VanDerWaalsContact O-OG 3.12Å; I14-A18 VanDerWaalsContact O-CB 3.25Å; I14-A18 WeakPolarHBondContact O-CB 3.18Å; I14-A18 PolarHBondContact O-N 3.04Å
15W35.1Very low40.5Very low177 Ų177112.2 Ų112.267%0.6757%0.566SS**Hα-helixtrans-65.8-43.3178.2-154.270.1000112.1P11 W12 A18 Y19P11-W15 VanDerWaalsContact O-CB 3.27Å; P11-W15 WeakPolarHBondContact O-CB 3.28Å; P11-W15 PolarHBondContact O-N 2.85Å; W12-W15 PolarHBondContact O-N 2.96Å; W15-A18 PolarHBondContact O-N 2.9Å; W15-Y19 HydrophobicContact CH2-CD2 4.23Å; W15-Y19 HydrophobicContact CH2-CE2 4.22Å; W15-Y19 HydrophobicContact CZ2-CD2 4.35Å; W15-Y19 HydrophobicContact CZ2-CE2 4.49Å; W15-Y19 HydrophobicContact CZ3-CD2 4.42Å; W15-Y19 VanDerWaalsContact O-CB 3.28Å; W15-Y19 WeakPolarHBondContact O-CB 3.21Å; W15-Y19 PolarHBondContact O-N 2.64Å
16I39.8Very low40.1Very low84 Ų84107.9 Ų107.943%0.43156%0.558SS.*Hα-helixtrans-62.4-48.8175-70165.3000110.7W12 A18 Y19 E20W12-I16 WeakPolarHBondContact O-CB 3.14Å; W12-I16 VanDerWaalsContact O-CG1 3.29Å; W12-I16 WeakPolarHBondContact O-CG1 3.35Å; W12-I16 PolarHBondContact O-N 2.8Å; I16-A18 VanDerWaalsContact C-N 3.26Å; I16-A18 PolarHBondContact O-N 2.87Å; I16-Y19 PolarHBondContact O-N 2.65Å; I16-E20 HydrophobicContact CG2-CG 4.45Å; I16-E20 PolarHBondContact O-N 2.77Å
17S36.2Very low39.9Very low56 Ų56106.8 Ų106.839%0.39255%0.553SS.*Hα-helixtrans-66.8-23.617862.50000113.9I13 I14 L21I13-S17 WeakPolarHBondContact O-CB 3.4Å; I13-S17 PolarHBondContact O-N 2.88Å; I13-S17 PolarHBondContact O-OG 2.77Å; I14-S17 WeakPolarHBondContact CA-OG 3.33Å; I14-S17 PolarHBondContact O-N 2.87Å; I14-S17 PolarHBondContact O-OG 2.99Å; I14-S17 VanDerWaalsContact O-OG 3.12Å; S17-L21 WeakPolarHBondContact O-CB 3.15Å; S17-L21 PolarHBondContact O-N 2.81Å
18A32.4Very low40.1Very low58 Ų58101.4 Ų101.448%0.47953%0.534SS..Hα-helixtrans-79.7-31.5169.700000112.9I14 W15 I16 L21 N22I14-A18 VanDerWaalsContact O-CB 3.25Å; I14-A18 WeakPolarHBondContact O-CB 3.18Å; I14-A18 PolarHBondContact O-N 3.04Å; W15-A18 PolarHBondContact O-N 2.9Å; I16-A18 VanDerWaalsContact C-N 3.26Å; I16-A18 PolarHBondContact O-N 2.87Å; A18-L21 CarbonylContact O-C 3.45Å; A18-L21 PolarHBondContact O-N 3.12Å; A18-N22 PolarHBondContact O-N 2.81Å
19Y33.5Very low40.3Very low135 Ų13598.1 Ų98.153%0.52951%0.51SS..Hα-helixtrans-79.3-32.3178.5-151.6-87.6000112W15 I16 L21 N22W15-Y19 HydrophobicContact CH2-CD2 4.23Å; W15-Y19 HydrophobicContact CH2-CE2 4.22Å; W15-Y19 HydrophobicContact CZ2-CD2 4.35Å; W15-Y19 HydrophobicContact CZ2-CE2 4.49Å; W15-Y19 HydrophobicContact CZ3-CD2 4.42Å; W15-Y19 VanDerWaalsContact O-CB 3.28Å; W15-Y19 WeakPolarHBondContact O-CB 3.21Å; W15-Y19 PolarHBondContact O-N 2.64Å; I16-Y19 PolarHBondContact O-N 2.65Å; Y19-L21 PolarHBondContact O-N 3.04Å; Y19-N22 CarbonylContact O-C 3.52Å; Y19-N22 PolarHBondContact O-N 2.7Å
20E30.5Very low40.6Very low156 Ų156101.2 Ų101.273%0.72952%0.521SS*.THydrogen-bonded Turntrans-68.9-17.8165.6-69.6-173.614500112.4I16I16-E20 HydrophobicContact CG2-CG 4.45Å; I16-E20 PolarHBondContact O-N 2.77Å
21L30.7Very low41.1Very low138 Ų13898.5 Ų98.572%0.72351%0.507SS*.THydrogen-bonded Turntrans-102.922.2174.4-81169.9000114.5S17 A18 Y19S17-L21 WeakPolarHBondContact O-CB 3.15Å; S17-L21 PolarHBondContact O-N 2.81Å; A18-L21 CarbonylContact O-C 3.45Å; A18-L21 PolarHBondContact O-N 3.12Å; Y19-L21 PolarHBondContact O-N 3.04Å
22N26.9Very low41.8Very low132 Ų13296.3 Ų96.371%0.70649%0.494SS*.  trans-159.697.4146.3-95.3-43.7000109.1A18 Y19 D24A18-N22 PolarHBondContact O-N 2.81Å; Y19-N22 CarbonylContact O-C 3.52Å; Y19-N22 PolarHBondContact O-N 2.7Å; N22-D24 PolarHBondContact O-N 3.39Å
23P31.5Very low42.6Very low103 Ų10392.6 Ų92.667%0.66949%0.489SS*.  trans-57.6137.6158.727.5-33.5000108.2S25P23-S25 PolarHBondContact O-N 3.28Å
24D35.4Very low42.9Very low133 Ų13392.4 Ų92.471%0.71149%0.494SS*.  trans-42.7116.3171.9-86.7-52.8000108.6N22 V26N22-D24 PolarHBondContact O-N 3.39Å; D24-V26 PolarHBondContact O-N 3.19Å
25S36.3Very low44Very low93 Ų9389.6 Ų89.665%0.6548%0.483SS*.  trans-61.2103.4-171.160.20000107.9P23 L27P23-S25 PolarHBondContact O-N 3.28Å; S25-L27 VanDerWaalsContact C-N 3.28Å; S25-L27 WeakPolarHBondContact O-CD1 3.24Å; S25-L27 PolarHBondContact O-N 3.07Å
26V44.3Very low45.6Very low83 Ų8384.8 Ų84.850%0.50347%0.47SS..  trans-65.696.4-177.2-179.20000106.3D24 Q28 Y47D24-V26 PolarHBondContact O-N 3.19Å; V26-Q28 HydrophobicContact CG1-CG 4.13Å; V26-Q28 WeakPolarHBondContact O-CG 3.4Å; V26-Q28 PolarHBondContact O-N 2.03Å; V26-Y47 HydrophobicContact CG1-CD2 3.44Å; V26-Y47 VanDerWaalsContact CG1-CD2 3.44Å; V26-Y47 HydrophobicContact CG1-CE2 3.77Å; V26-Y47 HydrophobicContact CG1-CG 4.25Å
27L50.3Low47.2Very low51 Ų5186 Ų8627%0.26748%0.477SS..  trans-67.8102.7-178-82.8121.1000106.9S25 L38 V40 L46 Y47S25-L27 VanDerWaalsContact C-N 3.28Å; S25-L27 WeakPolarHBondContact O-CD1 3.24Å; S25-L27 PolarHBondContact O-N 3.07Å; L27-L38 HydrophobicContact CB-CD2 4.22Å; L27-L38 HydrophobicContact CD2-CD1 4.11Å; L27-L38 HydrophobicContact CD2-CD2 4.24Å; L27-L38 HydrophobicContact CD2-CG 4.22Å; L27-V40 HydrophobicContact CB-CG1 4.31Å; L27-V40 HydrophobicContact CD1-CG1 4.23Å; L27-V40 HydrophobicContact CD2-CG1 4.38Å; L27-V40 HydrophobicContact CD2-CG2 4.23Å; L27-L46 WeakPolarHBondContact O-CD1 3.34Å; L27-Y47 PolarHBondContact O-N 2.9Å
28Q57.6Low49.2Very low60 Ų6085.1 Ų85.128%0.2847%0.468SS..EExtended strand (participates in β ladder)trans-98.8117.8176.5-66.8175.227.100107.5V26 E30 Y47 R49V26-Q28 HydrophobicContact CG1-CG 4.13Å; V26-Q28 WeakPolarHBondContact O-CG 3.4Å; V26-Q28 PolarHBondContact O-N 2.03Å; Q28-E30 PolarHBondContact O-N 2.8Å; Q28-Y47 WeakPolarHBondContact CA-O 3.1Å; Q28-R49 VanDerWaalsContact OE1-CD 3.31Å
29L56.8Low51.4Low2 Ų285.2 Ų85.21%0.0147%0.466CS..EExtended strand (participates in β ladder)trans-90.294.8164.7176.550.9000107.1L31 N36 L38 L46 Y47 L48 R49L29-L31 HydrophobicContact CD1-CD2 4.49Å; L29-L31 HydrophobicContact CD2-CD2 4.03Å; L29-L31 HydrophobicContact CG-CD2 3.87Å; L29-L31 PolarHBondContact O-N 3.05Å; L29-N36 HydrophobicContact CD1-CB 3.56Å; L29-L38 HydrophobicContact CB-CB 4.38Å; L29-L38 HydrophobicContact CB-CD2 3.77Å; L29-L38 HydrophobicContact CD1-CB 4.1Å; L29-L38 HydrophobicContact CD2-CB 4.4Å; L29-L46 HydrophobicContact CB-CD1 3.97Å; L29-Y47 PolarHBondContact N-O 2.8Å; L29-Y47 VanDerWaalsContact N-O 3.12Å; L29-L48 HydrophobicContact CB-CD2 3.7Å; L29-L48 HydrophobicContact CD2-CD2 3.78Å; L29-L48 HydrophobicContact CG-CD2 4.09Å; L29-R49 PolarHBondContact O-N 3.35Å
30E60.4Low53.6Low114 Ų11478.8 Ų78.853%0.53344%0.44SS..EExtended strand (participates in β ladder)trans-68.2122.2159.1-67.3-170161.100108.5Q28 N36 R49Q28-E30 PolarHBondContact O-N 2.8Å; E30-N36 PolarHBondContact O-ND2 2.88Å; E30-R49 HydrophobicContact CG-CB 4.47Å
31L57.8Low55.8Low16 Ų1673.9 Ų73.98%0.08442%0.422CS..  trans-81.9125.2-179.9-61168.7000109.8L29 R49 C50 W66 F155 C157 K168L29-L31 HydrophobicContact CD1-CD2 4.49Å; L29-L31 HydrophobicContact CD2-CD2 4.03Å; L29-L31 HydrophobicContact CG-CD2 3.87Å; L29-L31 PolarHBondContact O-N 3.05Å; L31-R49 PolarHBondContact N-O 2.9Å; L31-C50 HydrophobicContact CD1-CB 4.47Å; L31-W66 HydrophobicContact CD1-CH2 3.62Å; L31-W66 HydrophobicContact CD1-CZ3 3.53Å; L31-F155 HydrophobicContact CD2-CB 4.47Å; L31-C157 HydrophobicContact CD1-CB 3.35Å; L31-K168 HydrophobicContact CB-CB 3.56Å; L31-K168 WeakPolarHBondContact O-CB 3.46Å; L31-K168 WeakPolarHBondContact O-CG 2.93Å
32S59.4Low58Low28 Ų2868.6 Ų68.620%0.19639%0.394CS..BIsolated β-bridgetrans-121.8-179-17256.40000111P34 N36 R169S32-P34 CarbonylContact C-O 3.52Å; S32-P34 WeakPolarHBondContact CB-O 3.16Å; S32-P34 PolarHBondContact OG-O 3.04Å; S32-N36 PolarHBondContact OG-N 3.02Å; S32-N36 PolarHBondContact OG-ND2 2.81Å; S32-N36 PolarHBondContact OG-OD1 3.32Å; S32-R169 PolarHBondContact N-O 3.31Å; S32-R169 PolarHBondContact O-N 2.74Å; S32-R169 VanDerWaalsContact O-O 3.04Å
33D57.1Low60.3Low114 Ų11467 Ų6761%0.6139%0.385SS*.SBendtrans-141.7118.1157.4-162.714000106.6
34P48Very low62.4Low105 Ų10563.2 Ų63.268%0.68236%0.362SS*.SBendcis-59.9153.53.228.5-37000113.4S32 N36S32-P34 CarbonylContact C-O 3.52Å; S32-P34 WeakPolarHBondContact CB-O 3.16Å; S32-P34 PolarHBondContact OG-O 3.04Å; P34-N36 PolarHBondContact O-N 3.31Å
35P63.5Low64.2Low43 Ų4360.4 Ų60.428%0.27935%0.349SS..PPolyproline II helixtrans-65.8125.2-174.425-34.2000112.2N37 R169 Y171P35-N37 PolarHBondContact O-N 2.87Å; P35-R169 WeakPolarHBondContact CA-O 3.25Å; P35-R169 HydrophobicContact CB-CB 3.91Å; P35-Y171 HydrophobicContact CB-CD2 4.18Å; P35-Y171 HydrophobicContact CB-CE2 4.45Å; P35-Y171 HydrophobicContact CG-CD2 4.15Å; P35-Y171 HydrophobicContact CG-CE2 4.04Å
36N69.5Low66Low76 Ų7656 Ų5641%0.40632%0.318SS..EExtended strand (participates in β ladder)trans-62.3131.3172.4-86.3-25.1000110.6L29 E30 S32 P34 G170 Y171L29-N36 HydrophobicContact CD1-CB 3.56Å; E30-N36 PolarHBondContact O-ND2 2.88Å; S32-N36 PolarHBondContact OG-N 3.02Å; S32-N36 PolarHBondContact OG-ND2 2.81Å; S32-N36 PolarHBondContact OG-OD1 3.32Å; P34-N36 PolarHBondContact O-N 3.31Å; N36-G170 CarbonylContact O-C 3.54Å; N36-G170 WeakPolarHBondContact O-CA 3.14Å; N36-Y171 PolarHBondContact O-N 2.82Å
37N72.8Confident67.4Low110 Ų11055.1 Ų55.159%0.58831%0.306SS*.EExtended strand (participates in β ladder)trans-97.496175.3-71-10.6000109.4P35 Y171P35-N37 PolarHBondContact O-N 2.87Å; N37-Y171 WeakPolarHBondContact OD1-CB 3.28Å; N37-Y171 WeakPolarHBondContact OD1-CD2 3.43Å
38L78Confident68.6Low37 Ų3752.7 Ų52.719%0.19429%0.294CS..EExtended strand (participates in β ladder)trans-96.1128.9176-161.771.7000110.4L27 L29 V40 L46 Y171 N173L27-L38 HydrophobicContact CB-CD2 4.22Å; L27-L38 HydrophobicContact CD2-CD1 4.11Å; L27-L38 HydrophobicContact CD2-CD2 4.24Å; L27-L38 HydrophobicContact CD2-CG 4.22Å; L29-L38 HydrophobicContact CB-CB 4.38Å; L29-L38 HydrophobicContact CB-CD2 3.77Å; L29-L38 HydrophobicContact CD1-CB 4.1Å; L29-L38 HydrophobicContact CD2-CB 4.4Å; L38-V40 HydrophobicContact CB-CG2 4.37Å; L38-V40 HydrophobicContact CD2-CG2 3.67Å; L38-V40 HydrophobicContact CG-CG2 3.71Å; L38-L46 HydrophobicContact CD2-CD1 3.66Å; L38-Y171 PolarHBondContact N-O 2.97Å; L38-N173 PolarHBondContact O-N 3.44Å
39S80Confident69.3Low61 Ų6151.2 Ų51.243%0.42729%0.286SS..EExtended strand (participates in β ladder)trans-110.4119177.4-54.20000109.3N173S39-N173 CarbonylContact C-O 3.36Å; S39-N173 VanDerWaalsContact CA-O 3.28Å; S39-N173 WeakPolarHBondContact CA-O 3.49Å
40V79.9Confident70.2Confident0 Ų051.5 Ų51.50%029%0.287CS..EExtended strand (participates in β ladder)trans-133.9134.7-165.4-161.20000109.3L27 L38 S44 L46 L147 L172 N173 I174 L175L27-V40 HydrophobicContact CB-CG1 4.31Å; L27-V40 HydrophobicContact CD1-CG1 4.23Å; L27-V40 HydrophobicContact CD2-CG1 4.38Å; L27-V40 HydrophobicContact CD2-CG2 4.23Å; L38-V40 HydrophobicContact CB-CG2 4.37Å; L38-V40 HydrophobicContact CD2-CG2 3.67Å; L38-V40 HydrophobicContact CG-CG2 3.71Å; V40-S44 WeakPolarHBondContact CG1-OG 3.3Å; V40-L46 HydrophobicContact CG2-CD2 4.38Å; V40-L147 HydrophobicContact CB-CD1 3.92Å; V40-L147 HydrophobicContact CG1-CD1 3.86Å; V40-L172 HydrophobicContact CB-CD1 4.08Å; V40-L172 HydrophobicContact CG2-CD1 3.5Å; V40-L172 VanDerWaalsContact CG2-CD1 3.5Å; V40-N173 PolarHBondContact N-O 2.75Å; V40-I174 CarbonylContact O-C 3.19Å; V40-I174 VanDerWaalsContact O-CA 3.31Å; V40-I174 WeakPolarHBondContact O-CA 3.14Å; V40-L175 PolarHBondContact O-N 3.11Å
41P75.4Confident70.8Confident52 Ų5251.1 Ų51.134%0.33829%0.286SS..EExtended strand (participates in β ladder)trans-59.4149.3176.219.7-30.6000113.5S44 L175 M290P41-S44 VanDerWaalsContact O-CB 3.25Å; P41-S44 WeakPolarHBondContact O-CB 3.29Å; P41-S44 PolarHBondContact O-N 2.96Å; P41-S44 PolarHBondContact O-OG 3.44Å; P41-L175 CarbonylContact C-O 3.56Å; P41-L175 WeakPolarHBondContact CA-O 3.35Å; P41-M290 HydrophobicContact CB-SD 3.72Å
42I77.5Confident71.6Confident28 Ų2850.3 Ų50.314%0.14428%0.282CS..THydrogen-bonded Turntrans-58.4153.1167.9-158.7178.3000110.4S44 L147 I174 L175 A176I42-S44 PolarHBondContact O-N 2.88Å; I42-S44 VanDerWaalsContact O-N 3.09Å; I42-L147 CarbonylContact C-O 2.94Å; I42-L147 WeakPolarHBondContact CA-O 3.2Å; I42-L147 WeakPolarHBondContact CG1-O 3.13Å; I42-I174 HydrophobicContact CB-CG2 4Å; I42-I174 HydrophobicContact CG1-CG2 4.14Å; I42-L175 PolarHBondContact N-O 2.75Å; I42-A176 HydrophobicContact CB-CB 3.97Å; I42-A176 HydrophobicContact CD1-CB 3.8Å; I42-A176 HydrophobicContact CG1-CB 4.39Å; I42-A176 HydrophobicContact CG2-CB 3.99Å
43N75.7Confident72.1Confident98 Ų9853.2 Ų53.252%0.52430%0.3SS..THydrogen-bonded Turntrans62.52.2-175.1-54.3-15.2000115.8N146 L147 Q148N43-N146 WeakPolarHBondContact CA-OD1 2.96Å; N43-N146 WeakPolarHBondContact CB-OD1 3.04Å; N43-N146 PolarHBondContact OD1-OD1 3.39Å; N43-L147 PolarHBondContact N-O 2.75Å; N43-Q148 PolarHBondContact OD1-NE2 2.64Å
44S74.2Confident72.9Confident24 Ų2451.7 Ų51.717%0.16829%0.294CS..  trans-73.7176.6174.167.60000113V40 P41 I42 N146 L147V40-S44 WeakPolarHBondContact CG1-OG 3.3Å; P41-S44 VanDerWaalsContact O-CB 3.25Å; P41-S44 WeakPolarHBondContact O-CB 3.29Å; P41-S44 PolarHBondContact O-N 2.96Å; P41-S44 PolarHBondContact O-OG 3.44Å; I42-S44 PolarHBondContact O-N 2.88Å; I42-S44 VanDerWaalsContact O-N 3.09Å; S44-N146 WeakPolarHBondContact O-CA 3.22Å; S44-N146 PolarHBondContact O-N 2.86Å; S44-N146 VanDerWaalsContact O-N 3.07Å; S44-L147 PolarHBondContact O-N 2.87Å; S44-L147 WeakPolarHBondContact OG-CD1 3.38Å
45T73.6Confident74Confident73 Ų7351.5 Ų51.545%0.44828%0.284SS..  trans-111.8137168.963.90000110L144 T145T45-L144 WeakPolarHBondContact CA-O 3.18Å; T45-T145 HydrophobicContact CG2-CG2 4.15Å
46L75.1Confident74.5Confident0 Ų050 Ų500%027%0.274CS..EExtended strand (participates in β ladder)trans-130.8129.9-176.3165.760.7000110.1L27 L29 L38 V40 L48 T143 L144 L147 L172L27-L46 WeakPolarHBondContact O-CD1 3.34Å; L29-L46 HydrophobicContact CB-CD1 3.97Å; L38-L46 HydrophobicContact CD2-CD1 3.66Å; V40-L46 HydrophobicContact CG2-CD2 4.38Å; L46-L48 HydrophobicContact CD1-CD2 4.07Å; L46-L48 HydrophobicContact CD2-CD2 3.63Å; L46-L48 HydrophobicContact CD2-CG 4.43Å; L46-L48 HydrophobicContact CG-CD2 3.71Å; L46-L48 HydrophobicContact CG-CG 4.25Å; L46-T143 WeakPolarHBondContact O-CA 3.46Å; L46-L144 HydrophobicContact CB-CB 4.48Å; L46-L144 HydrophobicContact CD2-CD1 4.49Å; L46-L144 PolarHBondContact N-O 3.35Å; L46-L144 PolarHBondContact O-N 3.26Å; L46-L147 HydrophobicContact CB-CD1 3.89Å; L46-L147 HydrophobicContact CB-CD2 4.3Å; L46-L147 HydrophobicContact CB-CG 4.27Å; L46-L147 HydrophobicContact CD2-CD1 3.98Å; L46-L147 HydrophobicContact CD2-CD2 4.4Å; L46-L172 HydrophobicContact CD2-CD1 3.4Å; L46-L172 HydrophobicContact CD2-CD2 3.4Å; L46-L172 HydrophobicContact CD2-CG 3.96Å
47Y71.9Confident74.7Confident66 Ų6653.3 Ų53.326%0.25929%0.285SS..EExtended strand (participates in β ladder)trans-100.5100177.5-64.6-94.3000108.5V26 L27 Q28 L29 R49 T141 T143V26-Y47 HydrophobicContact CG1-CD2 3.44Å; V26-Y47 VanDerWaalsContact CG1-CD2 3.44Å; V26-Y47 HydrophobicContact CG1-CE2 3.77Å; V26-Y47 HydrophobicContact CG1-CG 4.25Å; L27-Y47 PolarHBondContact O-N 2.9Å; Q28-Y47 WeakPolarHBondContact CA-O 3.1Å; L29-Y47 PolarHBondContact N-O 2.8Å; L29-Y47 VanDerWaalsContact N-O 3.12Å; Y47-R49 PolarHBondContact O-N 3.38Å; Y47-T141 HydrophobicContact CD1-CG2 3.88Å; Y47-T141 HydrophobicContact CG-CG2 4.36Å; Y47-T143 HydrophobicContact CD1-CG2 3.62Å; Y47-T143 HydrophobicContact CE1-CG2 3.6Å
48L75.9Confident74.4Confident0 Ų056.5 Ų56.50%030%0.297CS..EExtended strand (participates in β ladder)trans-78.8104.5173.8-58.6-175.3000108.4L29 L46 W66 T141 L142 L144 F155L29-L48 HydrophobicContact CB-CD2 3.7Å; L29-L48 HydrophobicContact CD2-CD2 3.78Å; L29-L48 HydrophobicContact CG-CD2 4.09Å; L46-L48 HydrophobicContact CD1-CD2 4.07Å; L46-L48 HydrophobicContact CD2-CD2 3.63Å; L46-L48 HydrophobicContact CD2-CG 4.43Å; L46-L48 HydrophobicContact CG-CD2 3.71Å; L46-L48 HydrophobicContact CG-CG 4.25Å; L48-W66 HydrophobicContact CB-CH2 3.45Å; L48-W66 VanDerWaalsContact CB-CH2 3.45Å; L48-W66 HydrophobicContact CB-CZ2 4.39Å; L48-W66 HydrophobicContact CB-CZ3 3.61Å; L48-W66 HydrophobicContact CD1-CE3 4.14Å; L48-W66 HydrophobicContact CD1-CH2 4.35Å; L48-W66 HydrophobicContact CD1-CZ3 3.65Å; L48-W66 HydrophobicContact CG-CZ3 4.26Å; L48-T141 WeakPolarHBondContact O-CA 3.24Å; L48-L142 HydrophobicContact CB-CB 4.25Å; L48-L142 WeakPolarHBondContact CB-O 3.36Å; L48-L142 HydrophobicContact CD1-CD2 4.13Å; L48-L142 HydrophobicContact CD1-CG 4.45Å; L48-L142 PolarHBondContact N-O 2.73Å; L48-L142 PolarHBondContact O-N 2.79Å; L48-L144 HydrophobicContact CD1-CD1 3.66Å; L48-L144 HydrophobicContact CD1-CG 3.98Å; L48-L144 HydrophobicContact CG-CD1 4.2Å; L48-L144 HydrophobicContact CG-CG 4.31Å; L48-F155 HydrophobicContact CD1-CD1 3.58Å; L48-F155 HydrophobicContact CD1-CE1 3.84Å; L48-F155 HydrophobicContact CD1-CG 4Å; L48-F155 HydrophobicContact CD1-CZ 4.47Å
49R73.4Confident73.9Confident29 Ų2959.3 Ų59.311%0.10932%0.319CS..EExtended strand (participates in β ladder)trans-93.7123.1-176.3-73.3-176.9168.2-145.7-5.1110.6Q28 L29 E30 L31 Y47 D130 L139 T141Q28-R49 VanDerWaalsContact OE1-CD 3.31Å; L29-R49 PolarHBondContact O-N 3.35Å; E30-R49 HydrophobicContact CG-CB 4.47Å; L31-R49 PolarHBondContact N-O 2.9Å; Y47-R49 PolarHBondContact O-N 3.38Å; R49-D130 IonicContact CZ-OD1 3.32Å; R49-D130 IonicContact CZ-OD2 3.81Å; R49-D130 VanDerWaalsContact NH1-CG 3.29Å; R49-D130 IonicContact NH1-OD1 2.68Å; R49-D130 PolarHBondContact NH1-OD1 2.88Å; R49-D130 IonicContact NH1-OD2 2.56Å; R49-D130 PolarHBondContact NH1-OD2 3.33Å; R49-D130 VanDerWaalsContact NH1-OD2 3.14Å; R49-D130 IonicContact NH2-OD1 3.59Å; R49-D130 IonicContact NH2-OD2 3.31Å; R49-D130 PolarHBondContact NH2-OD2 3.28Å; R49-L139 HydrophobicContact CB-CD1 4.22Å; R49-L139 HydrophobicContact CG-CD1 4.34Å; R49-T141 HydrophobicContact CG-CG2 4.11Å
50C75.3Confident73.6Confident7 Ų757.2 Ų57.25%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-122.3106.3174-169.70000109.1L31 W66 F140 C157L31-C50 HydrophobicContact CD1-CB 4.47Å; C50-W66 HydrophobicContact CB-CH2 4.05Å; C50-W66 HydrophobicContact CB-CZ2 3.87Å; C50-F140 PolarHBondContact N-O 3.09Å; C50-F140 PolarHBondContact O-N 2.94Å; C50-C157 HydrophobicContact CB-CB 3.74Å; C50-C157 WeakPolarHBondContact CB-SG 3.2Å; C50-C157 WeakPolarHBondContact SG-CB 3.04Å; C50-C157 CovalentContact SG-SG 2.04Å; C50-C157 PolarHBondContact SG-SG 2.96Å
51Q73.1Confident73.1Confident106 Ų10659.1 Ų59.150%0.49532%0.316SS..EExtended strand (participates in β ladder)trans-98123179.3-175.9-178.1-6.200110.2Q138 L139Q51-Q138 WeakPolarHBondContact CA-O 2.92Å; Q51-L139 HydrophobicContact CB-CD1 4.44Å
52I74.1Confident72.7Confident0 Ų057.1 Ų57.10%030%0.303CS..  trans-76.4123.6169.1-53.9-169.1000108.1V54 I62 Q138 F140 T159 V161 Y166I52-V54 WeakPolarHBondContact CG2-O 3.43Å; I52-V54 PolarHBondContact O-N 3.23Å; I52-I62 HydrophobicContact CD1-CG2 3.98Å; I52-Q138 PolarHBondContact N-O 3.23Å; I52-Q138 PolarHBondContact O-NE2 2.77Å; I52-F140 HydrophobicContact CD1-CD2 3.96Å; I52-F140 HydrophobicContact CD1-CE2 3.41Å; I52-F140 VanDerWaalsContact CD1-CE2 3.41Å; I52-F140 HydrophobicContact CD1-CZ 4.29Å; I52-F140 HydrophobicContact CG1-CD2 3.93Å; I52-F140 HydrophobicContact CG1-CE2 3.77Å; I52-T159 HydrophobicContact CD1-CG2 3.95Å; I52-T159 HydrophobicContact CG1-CG2 3.99Å; I52-V161 HydrophobicContact CD1-CG2 3.62Å; I52-V161 HydrophobicContact CG2-CG2 4.07Å; I52-Y166 HydrophobicContact CG2-CD2 4.48Å; I52-Y166 HydrophobicContact CG2-CE2 4.48Å
53P70.1Confident72.3Confident89 Ų8960 Ų6058%0.57831%0.313SS*.SBendtrans-71.4-15-173.828.5-35.5000113.8Y166P53-Y166 HydrophobicContact CG-CD1 3.81Å; P53-Y166 HydrophobicContact CG-CE1 3.79Å
54V73.3Confident72Confident81 Ų8155.8 Ų55.849%0.49129%0.29SS..SBendtrans-110.7142.4178.6-176.70000109.2I52 P56I52-V54 WeakPolarHBondContact CG2-O 3.43Å; I52-V54 PolarHBondContact O-N 3.23Å; V54-P56 VanDerWaalsContact O-CD 3.26Å; V54-P56 WeakPolarHBondContact O-CD 3.23Å
55E70.7Confident71.8Confident101 Ų10155.7 Ų55.747%0.47229%0.287SS..  trans-78.4114.1173.5179.9169.6167.100111R136 Q138E55-R136 HydrophobicContact CG-CB 3.99Å; E55-R136 HydrophobicContact CG-CG 4.31Å; E55-R136 WeakPolarHBondContact OE2-CD 3.42Å; E55-R136 IonicContact OE2-CZ 3.41Å; E55-R136 IonicContact OE2-NE 3.29Å; E55-R136 IonicContact OE2-NH1 3Å; E55-R136 PolarHBondContact OE2-NH1 3.2Å; E55-Q138 HydrophobicContact CB-CG 4.36Å
56P74.9Confident71.5Confident11 Ų1152.8 Ų52.87%0.07127%0.268CS..  trans-77.4137.3179.331.9-37.3000112.2V54 D60 I62 R136 R137 V161V54-P56 VanDerWaalsContact O-CD 3.26Å; V54-P56 WeakPolarHBondContact O-CD 3.23Å; P56-D60 HydrophobicContact CB-CB 4.17Å; P56-I62 HydrophobicContact CB-CD1 3.74Å; P56-I62 HydrophobicContact CB-CG1 4.27Å; P56-I62 HydrophobicContact CG-CD1 3.47Å; P56-I62 VanDerWaalsContact CG-CD1 3.47Å; P56-I62 HydrophobicContact CG-CG1 4.48Å; P56-R136 WeakPolarHBondContact CD-O 3.24Å; P56-R137 HydrophobicContact CG-CB 3.87Å; P56-R137 WeakPolarHBondContact CG-O 3.28Å; P56-V161 HydrophobicContact CB-CG1 3.99Å
57K73.4Confident71.2Confident147 Ų14757.8 Ų57.864%0.63929%0.287SS*.  trans-67.7159.6-178.9-53.5159-173.9166.50110.5S59 D60 R137K57-S59 PolarHBondContact O-N 2.82Å; K57-S59 VanDerWaalsContact O-N 3.1Å; K57-D60 WeakPolarHBondContact CB-OD2 2.86Å; K57-D60 PolarHBondContact N-OD2 2.9Å; K57-D60 WeakPolarHBondContact O-CB 3.16Å; K57-D60 PolarHBondContact O-N 2.87Å; K57-R137 PolarHBondContact O-NH1 2.83Å
58Q65.8Low71.1Confident177 Ų17756.6 Ų56.683%0.82728%0.284SS*.THydrogen-bonded Turntrans-56.5-29.4177.9-72.7-174.5-15.300113.9D60Q58-D60 VanDerWaalsContact C-N 3.3Å; Q58-D60 PolarHBondContact O-N 3.08Å
59S69Low70.7Confident95 Ų9562.2 Ų62.266%0.66431%0.305SS*.THydrogen-bonded Turntrans-67.9-23.3173.947.10000114.6K57 S61K57-S59 PolarHBondContact O-N 2.82Å; K57-S59 VanDerWaalsContact O-N 3.1Å; S59-S61 PolarHBondContact O-N 2.81Å
60D72.8Confident70.3Confident18 Ų1861.6 Ų61.610%0.09630%0.303CS..  trans-80.4129.2-157-63.7-10.5000111.8P56 K57 Q58 R137 V161 N162P56-D60 HydrophobicContact CB-CB 4.17Å; K57-D60 WeakPolarHBondContact CB-OD2 2.86Å; K57-D60 PolarHBondContact N-OD2 2.9Å; K57-D60 WeakPolarHBondContact O-CB 3.16Å; K57-D60 PolarHBondContact O-N 2.87Å; Q58-D60 VanDerWaalsContact C-N 3.3Å; Q58-D60 PolarHBondContact O-N 3.08Å; D60-R137 PolarHBondContact O-NH1 3.35Å; D60-R137 PolarHBondContact O-NH2 3.03Å; D60-V161 HydrophobicContact CB-CG1 4.25Å; D60-N162 WeakPolarHBondContact CA-OD1 2.98Å; D60-N162 PolarHBondContact OD1-ND2 3.37Å
61S69.5Low69.7Low39 Ų3963.1 Ų63.127%0.27331%0.314SS..  trans-68.9128.2167.163.30000109S59 V161 N162S59-S61 PolarHBondContact O-N 2.81Å; S61-V161 WeakPolarHBondContact O-CA 3.26Å; S61-N162 PolarHBondContact N-OD1 2.89Å; S61-N162 PolarHBondContact O-N 2.83Å; S61-N162 PolarHBondContact O-OD1 3.33Å; S61-N162 PolarHBondContact OG-OD1 2.87Å
62I66.9Low68.8Low10 Ų1059.8 Ų59.85%0.05130%0.298CS..EExtended strand (participates in β ladder)trans-127121.4176.9-50.9173000107.3I52 P56 V64 R137 F140 L160 V161I52-I62 HydrophobicContact CD1-CG2 3.98Å; P56-I62 HydrophobicContact CB-CD1 3.74Å; P56-I62 HydrophobicContact CB-CG1 4.27Å; P56-I62 HydrophobicContact CG-CD1 3.47Å; P56-I62 VanDerWaalsContact CG-CD1 3.47Å; P56-I62 HydrophobicContact CG-CG1 4.48Å; I62-V64 HydrophobicContact CG2-CG2 4.15Å; I62-R137 HydrophobicContact CD1-CB 4.21Å; I62-R137 VanDerWaalsContact CD1-NH2 3.3Å; I62-F140 HydrophobicContact CD1-CZ 3.9Å; I62-F140 HydrophobicContact CG2-CE1 4.37Å; I62-F140 HydrophobicContact CG2-CE2 4.3Å; I62-F140 HydrophobicContact CG2-CZ 3.84Å; I62-L160 WeakPolarHBondContact CA-O 3.31Å; I62-V161 HydrophobicContact CG2-CG2 4.42Å
63Y70Confident67.9Low90 Ų9065 Ų6535%0.35332%0.321SS..EExtended strand (participates in β ladder)trans-112.5129.3171-53-93.3000108H84 T159 L160Y63-H84 AromaticContact CE1-CD2 3.52Å; Y63-T159 CarbonylContact O-C 3.6Å; Y63-T159 WeakPolarHBondContact O-CA 3.07Å; Y63-L160 HydrophobicContact CD2-CB 4.32Å; Y63-L160 PolarHBondContact N-O 2.71Å; Y63-L160 PolarHBondContact O-N 3.25Å
64V68.8Low66.6Low8 Ų864.7 Ų64.75%0.04831%0.314CS..EExtended strand (participates in β ladder)trans-111.9103.7178.8-177.70000107.9I62 W66 F101 F140 T159I62-V64 HydrophobicContact CG2-CG2 4.15Å; V64-W66 VanDerWaalsContact CG1-NE1 3.32Å; V64-F101 HydrophobicContact CB-CZ 4.37Å; V64-F101 HydrophobicContact CG1-CE2 4.34Å; V64-F101 HydrophobicContact CG1-CZ 4.42Å; V64-F140 HydrophobicContact CG1-CB 4.37Å; V64-F140 HydrophobicContact CG2-CB 4.27Å; V64-F140 HydrophobicContact CG2-CD1 3.63Å; V64-F140 HydrophobicContact CG2-CD2 4.27Å; V64-F140 HydrophobicContact CG2-CE1 4.01Å; V64-F140 HydrophobicContact CG2-CG 3.77Å; V64-F140 HydrophobicContact CG2-CZ 4.5Å; V64-T159 HydrophobicContact CG1-CG2 4.17Å; V64-T159 HydrophobicContact CG2-CG2 4.12Å
65I69.2Low65.3Low22 Ų2266.2 Ų66.211%0.11333%0.326CS..EExtended strand (participates in β ladder)trans-99.1114.5-177.5-59.2171.8000108.3R67 F82 H158 L160I65-R67 HydrophobicContact CG2-CG 4.29Å; I65-F82 HydrophobicContact CD1-CD1 4.18Å; I65-F82 HydrophobicContact CD1-CE1 4.11Å; I65-F82 HydrophobicContact CG1-CD1 4.25Å; I65-H158 HydrophobicContact CB-CB 4.33Å; I65-H158 WeakPolarHBondContact CB-O 3.34Å; I65-H158 PolarHBondContact N-O 2.6Å; I65-H158 PolarHBondContact O-N 2.65Å; I65-L160 HydrophobicContact CD1-CD1 3.78Å; I65-L160 HydrophobicContact CD1-CG 4.5Å
66W69.1Low63.7Low12 Ų1264.1 Ų64.15%0.04533%0.326CS..EExtended strand (participates in β ladder)trans-93.5120.5172.2-7289.7000109.6L31 L48 C50 V64 S81 F101 L142 F155 C157L31-W66 HydrophobicContact CD1-CH2 3.62Å; L31-W66 HydrophobicContact CD1-CZ3 3.53Å; L48-W66 HydrophobicContact CB-CH2 3.45Å; L48-W66 VanDerWaalsContact CB-CH2 3.45Å; L48-W66 HydrophobicContact CB-CZ2 4.39Å; L48-W66 HydrophobicContact CB-CZ3 3.61Å; L48-W66 HydrophobicContact CD1-CE3 4.14Å; L48-W66 HydrophobicContact CD1-CH2 4.35Å; L48-W66 HydrophobicContact CD1-CZ3 3.65Å; L48-W66 HydrophobicContact CG-CZ3 4.26Å; C50-W66 HydrophobicContact CB-CH2 4.05Å; C50-W66 HydrophobicContact CB-CZ2 3.87Å; V64-W66 VanDerWaalsContact CG1-NE1 3.32Å; W66-S81 PolarHBondContact O-OG 2.87Å; W66-F101 AromaticContact NE1-CE2 3.77Å; W66-L142 HydrophobicContact CB-CD2 4.17Å; W66-L142 HydrophobicContact CD2-CB 4.03Å; W66-L142 HydrophobicContact CD2-CD2 3.51Å; W66-L142 HydrophobicContact CD2-CG 4.42Å; W66-L142 HydrophobicContact CE3-CB 4.47Å; W66-L142 HydrophobicContact CE3-CD2 3.78Å; W66-L142 HydrophobicContact CG-CD2 3.65Å; W66-L142 HydrophobicContact CH2-CB 4.07Å; W66-L142 HydrophobicContact CZ2-CB 3.58Å; W66-L142 HydrophobicContact CZ3-CB 4.46Å; W66-L142 HydrophobicContact CZ3-CD2 4.38Å; W66-F155 HydrophobicContact CE3-CD1 4.48Å; W66-C157 HydrophobicContact CD2-CB 4.5Å; W66-C157 HydrophobicContact CE3-CB 4.28Å; W66-C157 HydrophobicContact CH2-CB 4.02Å; W66-C157 HydrophobicContact CZ2-CB 4.24Å; W66-C157 HydrophobicContact CZ3-CB 4.07Å
67R68.6Low62.1Low106 Ų10667.1 Ų67.140%0.435%0.345SS..EExtended strand (participates in β ladder)trans-106.9141173.6-66171.6179.3169.35.5109.2I65 F155 Q156 H158I65-R67 HydrophobicContact CG2-CG 4.29Å; R67-F155 WeakPolarHBondContact O-CA 3.46Å; R67-Q156 HydrophobicContact CB-CB 4.15Å; R67-Q156 PolarHBondContact N-O 2.69Å; R67-Q156 PolarHBondContact O-N 2.87Å; R67-H158 PolarHBondContact NH2-NE2 2.87Å
68F69.4Low60.5Low41 Ų4166.4 Ų66.418%0.1835%0.349CS..EExtended strand (participates in β ladder)trans-135141179.3174.3-119000110.6H70 P95 D150 M151 L154 F155F68-H70 AromaticContact CE1-CE1 3.82Å; F68-H70 AromaticContact CE1-CG 3.89Å; F68-H70 AromaticContact CE1-ND1 3.43Å; F68-H70 WeakPolarHBondContact CE1-ND1 3.24Å; F68-H70 AromaticContact CZ-ND1 3.86Å; F68-P95 WeakPolarHBondContact CD1-O 3.1Å; F68-D150 WeakPolarHBondContact CZ-O 3.45Å; F68-M151 VanDerWaalsContact CE2-O 3.23Å; F68-M151 WeakPolarHBondContact CE2-O 3.39Å; F68-M151 WeakPolarHBondContact CZ-O 3.45Å; F68-L154 CarbonylContact C-O 3.54Å; F68-L154 WeakPolarHBondContact CA-O 3.43Å; F68-L154 WeakPolarHBondContact CD2-O 3.4Å; F68-F155 HydrophobicContact CB-CD1 4.4Å; F68-F155 HydrophobicContact CB-CE1 4.23Å; F68-F155 HydrophobicContact CD2-CD1 4.1Å; F68-F155 AromaticContact CD2-CD2 3.81Å; F68-F155 HydrophobicContact CD2-CD2 3.81Å; F68-F155 AromaticContact CD2-CE1 3.8Å; F68-F155 HydrophobicContact CD2-CE1 3.8Å; F68-F155 AromaticContact CD2-CE2 3.47Å; F68-F155 HydrophobicContact CD2-CE2 3.47Å; F68-F155 VanDerWaalsContact CD2-CE2 3.47Å; F68-F155 HydrophobicContact CD2-CG 4.11Å; F68-F155 AromaticContact CD2-CZ 3.47Å; F68-F155 HydrophobicContact CD2-CZ 3.47Å; F68-F155 VanDerWaalsContact CD2-CZ 3.47Å; F68-F155 HydrophobicContact CE2-CD2 4.11Å; F68-F155 AromaticContact CE2-CE2 3.51Å; F68-F155 HydrophobicContact CE2-CE2 3.51Å; F68-F155 AromaticContact CE2-CZ 3.76Å; F68-F155 HydrophobicContact CE2-CZ 3.76Å; F68-F155 HydrophobicContact CG-CE1 4.16Å; F68-F155 HydrophobicContact CG-CZ 4.12Å
69R67.4Low59.2Low118 Ų11863.5 Ų63.545%0.44534%0.338SS..EExtended strand (participates in β ladder)trans-130.2114.5170.4177.1-178.9173.9-176.7-1110D74 G153 L154R69-D74 IonicContact CZ-OD1 2.78Å; R69-D74 IonicContact NH2-OD1 3.73Å; R69-D74 PolarHBondContact NH2-OD1 2.77Å; R69-G153 CarbonylContact O-C 3.51Å; R69-G153 VanDerWaalsContact O-CA 3.24Å; R69-G153 WeakPolarHBondContact O-CA 2.82Å; R69-L154 PolarHBondContact N-O 3.19Å; R69-L154 PolarHBondContact O-N 2.88Å
70H65.3Low57.9Low15 Ų1567.6 Ų67.67%0.06934%0.339CS..EExtended strand (participates in β ladder)trans-52.4145.6170.3-59.5-76.7000112.6F68 H72 K73 P95 D150F68-H70 AromaticContact CE1-CE1 3.82Å; F68-H70 AromaticContact CE1-CG 3.89Å; F68-H70 AromaticContact CE1-ND1 3.43Å; F68-H70 WeakPolarHBondContact CE1-ND1 3.24Å; F68-H70 AromaticContact CZ-ND1 3.86Å; H70-H72 VanDerWaalsContact C-N 3.3Å; H70-K73 PolarHBondContact NE2-NZ 3.19Å; H70-P95 WeakPolarHBondContact NE2-CD 3.39Å; H70-D150 PolarHBondContact CE1-O 3.23Å; H70-D150 PolarHBondContact ND1-O 2.7Å
71S62.2Low56.7Low40 Ų4067.3 Ų67.328%0.2834%0.338SS..SBendtrans-72.6-15.9167.948.70000114.8N152S71-N152 WeakPolarHBondContact CB-O 3.28Å; S71-N152 PolarHBondContact N-O 3.06Å; S71-N152 PolarHBondContact OG-ND2 3.27Å; S71-N152 PolarHBondContact OG-O 2.77Å
72H53.8Low55.4Low35 Ų3571.1 Ų71.116%0.16235%0.349CS..SBendtrans-93.6-31.3-172.9-54.194.7000114.8H70 S149 N152 K259 P260 F261H70-H72 VanDerWaalsContact C-N 3.3Å; H72-S149 PolarHBondContact NE2-O 2.86Å; H72-S149 VanDerWaalsContact NE2-O 3.07Å; H72-N152 WeakPolarHBondContact NE2-CB 3.25Å; H72-K259 PolarHBondContact O-NZ 3.33Å; H72-P260 PolarHBondContact CD2-O 3.34Å; H72-F261 AromaticContact NE2-CD2 2.99Å; H72-F261 WeakPolarHBondContact NE2-CD2 3.29Å; H72-F261 AromaticContact NE2-CE2 2.87Å; H72-F261 WeakPolarHBondContact NE2-CE2 3.4Å
73K55Low54.4Low110 Ų11071.7 Ų71.748%0.47835%0.353SS..  trans-107113.1-170.3-64.3179.8-172.3161.20109.2H70H70-K73 PolarHBondContact NE2-NZ 3.19Å
74D44.2Very low53.2Low83 Ų8370.3 Ų70.344%0.44435%0.349SS..SBendtrans-104.7130.6157-66.5-58.4000106.6R69 Y910R69-D74 IonicContact CZ-OD1 2.78Å; R69-D74 IonicContact NH2-OD1 3.73Å; R69-D74 PolarHBondContact NH2-OD1 2.77Å; D74-Y910 WeakPolarHBondContact OD2-CE1 3.31Å
75P46Very low51.9Low112 Ų11275 Ų7573%0.72737%0.369SS*.SBendcis-89.5-168.1-3.139.1-35.9000112.7
76A35.6Very low50.7Low57 Ų5779.5 Ų79.547%0.47139%0.393SS..  trans-76.5136.4178.700000112.9
77P41.6Very low49.4Very low74 Ų7483.1 Ų83.148%0.48141%0.414SS..  trans-76.4136.4161.531.7-31.8000110.5I79P77-I79 PolarHBondContact O-N 3.29Å; P77-I79 VanDerWaalsContact O-N 3.07Å
78N41Very low48.1Very low133 Ų13384.9 Ų84.971%0.71143%0.431SS*.  trans-86.145.9-176.6-66.9-21.5000112.9
79I38.5Very low46.5Very low116 Ų11690 Ų9060%0.59546%0.46SS*.  trans-104.5137.1-176.1-57.8177.9000109.3P77P77-I79 PolarHBondContact O-N 3.29Å; P77-I79 VanDerWaalsContact O-N 3.07Å
80W41.5Very low45.5Very low181 Ų18186.1 Ų86.169%0.68645%0.452SS*.  trans-128.8137.3-166.4-51.9-42.5000112.9F82W80-F82 HydrophobicContact CB-CD2 4.26Å; W80-F82 HydrophobicContact CB-CE2 3.63Å; W80-F82 HydrophobicContact CB-CZ 4.11Å; W80-F82 HydrophobicContact CD2-CE2 4.49Å; W80-F82 HydrophobicContact CD2-CZ 4.44Å; W80-F82 HydrophobicContact CE3-CE2 4.03Å; W80-F82 HydrophobicContact CE3-CZ 4.02Å; W80-F82 HydrophobicContact CG-CE2 4.4Å
81S46.5Very low44.7Very low11 Ų1195 Ų958%0.07749%0.485CS..  trans-100.2129165.343.20000110.6W66 R91W66-S81 PolarHBondContact O-OG 2.87Å; S81-R91 WeakPolarHBondContact CB-O 3.36Å
82F43.7Very low44.2Very low119 Ų11994.3 Ų94.352%0.52248%0.48SS..  trans-119.5147.3174.5-63.1-91000109.7I65 W80I65-F82 HydrophobicContact CD1-CD1 4.18Å; I65-F82 HydrophobicContact CD1-CE1 4.11Å; I65-F82 HydrophobicContact CG1-CD1 4.25Å; W80-F82 HydrophobicContact CB-CD2 4.26Å; W80-F82 HydrophobicContact CB-CE2 3.63Å; W80-F82 HydrophobicContact CB-CZ 4.11Å; W80-F82 HydrophobicContact CD2-CE2 4.49Å; W80-F82 HydrophobicContact CD2-CZ 4.44Å; W80-F82 HydrophobicContact CE3-CE2 4.03Å; W80-F82 HydrophobicContact CE3-CZ 4.02Å; W80-F82 HydrophobicContact CG-CE2 4.4Å
83I44.9Very low44.1Very low23 Ų2393.7 Ų93.712%0.11848%0.479CS..  trans-135.7132171-65.6-179000108.6A90 F101I83-A90 HydrophobicContact CD1-CB 3.65Å; I83-A90 HydrophobicContact CG1-CB 4.46Å; I83-F101 HydrophobicContact CD1-CB 3.73Å; I83-F101 HydrophobicContact CD1-CD1 3.44Å; I83-F101 VanDerWaalsContact CD1-CD1 3.44Å; I83-F101 HydrophobicContact CD1-CD2 4.26Å; I83-F101 HydrophobicContact CD1-CE1 4.1Å; I83-F101 HydrophobicContact CD1-CG 3.52Å; I83-F101 HydrophobicContact CG2-CD1 4.14Å; I83-F101 HydrophobicContact CG2-CE1 4.02Å
84H44.6Very low44Very low61 Ų6194.9 Ų94.928%0.28249%0.486SS..  trans-104.9163.9167.9-176.6-116.3000110.7Y63 D86 D87Y63-H84 AromaticContact CE1-CD2 3.52Å; H84-D86 IonicContact CE1-OD2 2.95Å; H84-D86 PolarHBondContact CE1-OD2 2.92Å; H84-D86 IonicContact ND1-OD2 2.94Å; H84-D86 PolarHBondContact O-N 2.83Å; H84-D86 VanDerWaalsContact O-N 3.17Å; H84-D87 WeakPolarHBondContact CB-OD2 3.47Å; H84-D87 PolarHBondContact O-N 3.42Å
85K42Very low44.2Very low106 Ų10692.5 Ų92.546%0.46148%0.475SS..THydrogen-bonded Turntrans-53.6-35.4-178.1179.5-171168.8-165.90114N103K85-N103 PolarHBondContact O-ND2 1.96Å
86D44.3Very low44.2Very low116 Ų11687.2 Ų87.262%0.6244%0.441SS*.THydrogen-bonded Turntrans-104.40.8-171.8-47.4-53000112.8H84H84-D86 IonicContact CE1-OD2 2.95Å; H84-D86 PolarHBondContact CE1-OD2 2.92Å; H84-D86 IonicContact ND1-OD2 2.94Å; H84-D86 PolarHBondContact O-N 2.83Å; H84-D86 VanDerWaalsContact O-N 3.17Å
87D41.6Very low45.2Very low89 Ų8989.8 Ų89.848%0.47645%0.447SS..  trans-90.797.8174.8-72.5-41.1000110.4H84 L89H84-D87 WeakPolarHBondContact CB-OD2 3.47Å; H84-D87 PolarHBondContact O-N 3.42Å; D87-L89 PolarHBondContact O-N 3.2Å; D87-L89 VanDerWaalsContact O-N 3.12Å
88D40.7Very low45.8Very low142 Ų14289.1 Ų89.176%0.75944%0.442SS*.  trans-66.1-3.7165.7-81.4-26.5000112.2A90D88-A90 PolarHBondContact O-N 2.9Å
89L35.9Very low46.6Very low150 Ų15084 Ų8479%0.78542%0.416SS*.  trans-95.175.4178.8-82.2164.1000112.3D87 R91D87-L89 PolarHBondContact O-N 3.2Å; D87-L89 VanDerWaalsContact O-N 3.12Å; L89-R91 PolarHBondContact O-N 3.36Å
90A47.3Very low47.5Very low35 Ų3583.9 Ų83.929%0.28941%0.413SS..  trans-63.599.8168.700000111.3I83 D88 C92 F101I83-A90 HydrophobicContact CD1-CB 3.65Å; I83-A90 HydrophobicContact CG1-CB 4.46Å; D88-A90 PolarHBondContact O-N 2.9Å; A90-C92 PolarHBondContact O-N 3.41Å; A90-F101 HydrophobicContact CB-CB 3.83Å
91R48.8Very low48.2Very low201 Ų20176.8 Ų76.876%0.75839%0.387SS*.  trans-71115161.7-75.9-171.3177-169.9-1108.5S81 L89S81-R91 WeakPolarHBondContact CB-O 3.36Å; L89-R91 PolarHBondContact O-N 3.36Å
92C50.6Low48.5Very low26 Ų2677.7 Ų77.718%0.17639%0.392CS..  trans-66.4160.8167-52.70000110.7A90 P96 C99A90-C92 PolarHBondContact O-N 3.41Å; C92-P96 WeakPolarHBondContact CB-O 3.37Å; C92-C99 VanDerWaalsContact CA-SG 3.55Å; C92-C99 HydrophobicContact CB-CB 4.03Å; C92-C99 WeakPolarHBondContact CB-SG 3.34Å; C92-C99 VanDerWaalsContact SG-CA 3.57Å; C92-C99 WeakPolarHBondContact SG-CB 3.4Å; C92-C99 PolarHBondContact SG-N 3.47Å; C92-C99 CovalentContact SG-SG 2.04Å; C92-C99 PolarHBondContact SG-SG 3.35Å
93P52.8Low49.1Very low22 Ų2274.5 Ų74.514%0.14338%0.38CS..  trans-58144.4164.3-17.229.7000110.1P95 P96P93-P95 VanDerWaalsContact C-C 3.48Å; P93-P95 CarbonylContact O-C 3.57Å; P93-P95 VanDerWaalsContact O-CA 3.25Å; P93-P95 WeakPolarHBondContact O-CA 3.49Å; P93-P96 CarbonylContact O-C 3.26Å; P93-P96 VanDerWaalsContact O-C 3.26Å
94E51.3Low49.4Very low135 Ų13575.2 Ų75.263%0.63138%0.383SS*.SBendtrans-98108.8171.7-75.4-167.1148.500111
95P49.4Very low50Low33 Ų3376.2 Ų76.221%0.21439%0.385CS..SBendcis-76.7164.4-24.8-5.225000111.8F68 H70 P93 D150F68-P95 WeakPolarHBondContact CD1-O 3.1Å; H70-P95 WeakPolarHBondContact NE2-CD 3.39Å; P93-P95 VanDerWaalsContact C-C 3.48Å; P93-P95 CarbonylContact O-C 3.57Å; P93-P95 VanDerWaalsContact O-CA 3.25Å; P93-P95 WeakPolarHBondContact O-CA 3.49Å; P95-D150 HydrophobicContact CB-CB 4.12Å; P95-D150 WeakPolarHBondContact CB-OD2 3.16Å; P95-D150 HydrophobicContact CG-CB 4.3Å
96P46.4Very low50.7Low1 Ų172.8 Ų72.81%0.00637%0.374CS..  cis-100.4130.319.2-0.222.6000115C92 P93 T98 M151C92-P96 WeakPolarHBondContact CB-O 3.37Å; P93-P96 CarbonylContact O-C 3.26Å; P93-P96 VanDerWaalsContact O-C 3.26Å; P96-T98 PolarHBondContact O-N 3.21Å; P96-M151 HydrophobicContact CB-CB 4.14Å; P96-M151 HydrophobicContact CB-CE 3.52Å; P96-M151 HydrophobicContact CB-CG 3.57Å; P96-M151 HydrophobicContact CB-SD 3.48Å; P96-M151 WeakPolarHBondContact CB-SD 3.09Å; P96-M151 HydrophobicContact CG-CB 3.48Å; P96-M151 VanDerWaalsContact CG-CB 3.48Å; P96-M151 HydrophobicContact CG-CE 4.34Å; P96-M151 HydrophobicContact CG-CG 3.52Å; P96-M151 HydrophobicContact CG-SD 3.61Å
97N55.9Low51Low111 Ų11171.3 Ų71.359%0.59437%0.366SS*.  trans-75.1-5.6-176.9-6425.4000114.3
98T54.4Low51.4Low60 Ų6069.2 Ų69.237%0.36835%0.352SS..  trans-115.191.9177.357.30000111.1P96 T145 M151P96-T98 PolarHBondContact O-N 3.21Å; T98-T145 PolarHBondContact OG1-O 3.18Å; T98-M151 VanDerWaalsContact OG1-CE 3.25Å; T98-M151 WeakPolarHBondContact OG1-CE 3.28Å
99C57.5Low52.1Low26 Ų2665.2 Ų65.218%0.17633%0.331CS..  trans-138.6148.3171.281.70000110C92 L142 L144C92-C99 VanDerWaalsContact CA-SG 3.55Å; C92-C99 HydrophobicContact CB-CB 4.03Å; C92-C99 WeakPolarHBondContact CB-SG 3.34Å; C92-C99 VanDerWaalsContact SG-CA 3.57Å; C92-C99 WeakPolarHBondContact SG-CB 3.4Å; C92-C99 PolarHBondContact SG-N 3.47Å; C92-C99 CovalentContact SG-SG 2.04Å; C92-C99 PolarHBondContact SG-SG 3.35Å; C99-L142 HydrophobicContact CB-CD1 4.01Å; C99-L144 HydrophobicContact CB-CD2 3.69Å
100E57.9Low52.9Low114 Ų11464.4 Ų64.453%0.53332%0.321SS..EExtended strand (participates in β ladder)trans-122.1100.3171.3-175.8-172.7165.400107.8V102 T143E100-V102 HydrophobicContact CG-CG2 3.88Å; E100-V102 PolarHBondContact O-N 3.38Å; E100-T143 WeakPolarHBondContact CB-OG1 3.38Å; E100-T143 PolarHBondContact N-O 3.15Å; E100-T143 WeakPolarHBondContact O-CB 3.36Å; E100-T143 PolarHBondContact O-N 2.77Å; E100-T143 VanDerWaalsContact O-N 3.1Å; E100-T143 PolarHBondContact O-OG1 2.72Å
101F55.1Low52.8Low32 Ų3267.5 Ų67.514%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-82.395.5171.9-174.7-98.2000109.3V64 W66 I83 A90 N103 F140 L142V64-F101 HydrophobicContact CB-CZ 4.37Å; V64-F101 HydrophobicContact CG1-CE2 4.34Å; V64-F101 HydrophobicContact CG1-CZ 4.42Å; W66-F101 AromaticContact NE1-CE2 3.77Å; I83-F101 HydrophobicContact CD1-CB 3.73Å; I83-F101 HydrophobicContact CD1-CD1 3.44Å; I83-F101 VanDerWaalsContact CD1-CD1 3.44Å; I83-F101 HydrophobicContact CD1-CD2 4.26Å; I83-F101 HydrophobicContact CD1-CE1 4.1Å; I83-F101 HydrophobicContact CD1-CG 3.52Å; I83-F101 HydrophobicContact CG2-CD1 4.14Å; I83-F101 HydrophobicContact CG2-CE1 4.02Å; A90-F101 HydrophobicContact CB-CB 3.83Å; F101-N103 PolarHBondContact O-N 3.02Å; F101-F140 HydrophobicContact CZ-CD1 4.28Å; F101-L142 HydrophobicContact CB-CD1 3.96Å; F101-L142 HydrophobicContact CD2-CB 4.03Å; F101-L142 HydrophobicContact CD2-CD1 4.05Å
102V53Low52.8Low29 Ų2963.3 Ų63.318%0.17632%0.321CS..  trans-76.9116.8-179.8-179.30000109.4E100 Q104 I107 T143E100-V102 HydrophobicContact CG-CG2 3.88Å; E100-V102 PolarHBondContact O-N 3.38Å; V102-Q104 VanDerWaalsContact C-N 3.26Å; V102-Q104 HydrophobicContact CB-CG 4.41Å; V102-Q104 HydrophobicContact CG1-CG 4.1Å; V102-Q104 PolarHBondContact O-N 3.16Å; V102-I107 HydrophobicContact CG1-CD1 3.48Å; V102-I107 VanDerWaalsContact CG1-CD1 3.48Å; V102-I107 HydrophobicContact CG1-CG1 4.3Å; V102-T143 HydrophobicContact CG2-CG2 4.21Å
103N57Low52.6Low53 Ų5369.9 Ų69.928%0.28335%0.349SS..  trans-71.385.1166.6-175-19.8000109.3K85 F101 Y105 S106 I107K85-N103 PolarHBondContact O-ND2 1.96Å; F101-N103 PolarHBondContact O-N 3.02Å; N103-Y105 PolarHBondContact O-N 3.42Å; N103-S106 WeakPolarHBondContact O-CB 3.4Å; N103-S106 PolarHBondContact O-N 3.2Å; N103-S106 PolarHBondContact OD1-N 2.97Å; N103-I107 PolarHBondContact O-N 2.81Å
104Q51.2Low52.1Low37 Ų3771 Ų7117%0.17336%0.357CS..Hα-helixtrans-58.5-32.3-172-65.1174.7-73.300112.4V102 I107 F108 I134 T141V102-Q104 VanDerWaalsContact C-N 3.26Å; V102-Q104 HydrophobicContact CB-CG 4.41Å; V102-Q104 HydrophobicContact CG1-CG 4.1Å; V102-Q104 PolarHBondContact O-N 3.16Å; Q104-I107 PolarHBondContact O-N 3.37Å; Q104-F108 WeakPolarHBondContact O-CB 3.42Å; Q104-F108 PolarHBondContact O-N 3.25Å; Q104-I134 HydrophobicContact CB-CB 4.44Å; Q104-I134 HydrophobicContact CB-CD1 3.98Å; Q104-I134 HydrophobicContact CB-CG1 3.91Å; Q104-I134 HydrophobicContact CB-CG2 3.67Å; Q104-I134 HydrophobicContact CG-CD1 4.35Å; Q104-T141 PolarHBondContact NE2-OG1 2.68Å; Q104-T141 VanDerWaalsContact OE1-CB 3.26Å; Q104-T141 VanDerWaalsContact OE1-N 3.15Å; Q104-T141 PolarHBondContact OE1-OG1 2.76Å
105Y57.4Low52Low82 Ų8270 Ų7032%0.32236%0.363SS..Hα-helixtrans-69.4-34.6175.2-176.5-94.8000112.9N103 N109 Q135 R137N103-Y105 PolarHBondContact O-N 3.42Å; Y105-N109 WeakPolarHBondContact CD1-ND2 3.18Å; Y105-N109 WeakPolarHBondContact CE1-ND2 3.46Å; Y105-N109 PolarHBondContact O-N 3.37Å; Y105-N109 VanDerWaalsContact O-N 3.16Å; Y105-N109 PolarHBondContact O-ND2 3.41Å; Y105-Q135 WeakPolarHBondContact CE2-O 3.26Å; Y105-R137 HydrophobicContact CD2-CG 3.56Å; Y105-R137 HydrophobicContact CE2-CG 3.72Å; Y105-R137 HydrophobicContact CG-CG 4.03Å
106S56.3Low51.6Low34 Ų3476.3 Ų76.324%0.23839%0.387CS..Hα-helixtrans-65-45.6173.5-178.50000111.4N103 N109 K110N103-S106 WeakPolarHBondContact O-CB 3.4Å; N103-S106 PolarHBondContact O-N 3.2Å; N103-S106 PolarHBondContact OD1-N 2.97Å; S106-N109 PolarHBondContact O-N 3.17Å; S106-K110 WeakPolarHBondContact O-CG 3.49Å; S106-K110 PolarHBondContact O-N 2.73Å
107I50.6Low50.9Low85 Ų8583.9 Ų83.944%0.43643%0.427SS..Hα-helixtrans-65.5-42.5176.6-63-170.2000111.4V102 N103 Q104 N109 K110 F111V102-I107 HydrophobicContact CG1-CD1 3.48Å; V102-I107 VanDerWaalsContact CG1-CD1 3.48Å; V102-I107 HydrophobicContact CG1-CG1 4.3Å; N103-I107 PolarHBondContact O-N 2.81Å; Q104-I107 PolarHBondContact O-N 3.37Å; I107-N109 VanDerWaalsContact C-N 3.33Å; I107-N109 PolarHBondContact O-N 3.47Å; I107-K110 PolarHBondContact O-N 3.44Å; I107-F111 HydrophobicContact CG2-CD2 4.32Å; I107-F111 PolarHBondContact O-N 3.35Å
108F50.5Low49.9Very low46 Ų4683.6 Ų83.620%0.20243%0.426CS..Hα-helixtrans-59.6-42.8178.9-170.6-96.7000112.3Q104 F111 N112 I131 I134 Q135Q104-F108 WeakPolarHBondContact O-CB 3.42Å; Q104-F108 PolarHBondContact O-N 3.25Å; F108-F111 PolarHBondContact O-N 2.85Å; F108-N112 VanDerWaalsContact CE1-ND2 3.26Å; F108-N112 WeakPolarHBondContact CE1-ND2 3.08Å; F108-N112 PolarHBondContact O-N 2.79Å; F108-I131 HydrophobicContact CD2-CG2 4.2Å; F108-I131 HydrophobicContact CE2-CG2 3.59Å; F108-I131 HydrophobicContact CZ-CG2 4.21Å; F108-I134 HydrophobicContact CB-CG2 4.29Å; F108-Q135 HydrophobicContact CD1-CG 3.86Å; F108-Q135 HydrophobicContact CE1-CG 3.51Å; F108-Q135 HydrophobicContact CZ-CG 3.92Å
109N54.4Low49.3Very low58 Ų5885.3 Ų85.331%0.3144%0.438SS..Hα-helixtrans-68.2-37.4175.6-76.1-67000113Y105 S106 I107 F111 N112 Q113Y105-N109 WeakPolarHBondContact CD1-ND2 3.18Å; Y105-N109 WeakPolarHBondContact CE1-ND2 3.46Å; Y105-N109 PolarHBondContact O-N 3.37Å; Y105-N109 VanDerWaalsContact O-N 3.16Å; Y105-N109 PolarHBondContact O-ND2 3.41Å; S106-N109 PolarHBondContact O-N 3.17Å; I107-N109 VanDerWaalsContact C-N 3.33Å; I107-N109 PolarHBondContact O-N 3.47Å; N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 2.71Å; N109-N112 PolarHBondContact O-N 3.14Å; N109-Q113 WeakPolarHBondContact O-CG 3.14Å; N109-Q113 PolarHBondContact O-N 3.13Å; N109-Q113 VanDerWaalsContact O-N 3.14Å
110K52.3Low48.1Very low133 Ų13390.1 Ų90.158%0.57846%0.461SS*.Hα-helixtrans-62-37171.9-75.4174.5179.51710112S106 I107 Q113 S114S106-K110 WeakPolarHBondContact O-CG 3.49Å; S106-K110 PolarHBondContact O-N 2.73Å; I107-K110 PolarHBondContact O-N 3.44Å; K110-Q113 PolarHBondContact O-N 2.93Å; K110-S114 PolarHBondContact O-N 2.8Å
111F45.3Very low47.2Very low100 Ų10087.3 Ų87.344%0.43946%0.457SS..Hα-helixtrans-67.2-46.5175.7-116.4-82.8000112.2I107 F108 N109 Q113 S114 A121I107-F111 HydrophobicContact CG2-CD2 4.32Å; I107-F111 PolarHBondContact O-N 3.35Å; F108-F111 PolarHBondContact O-N 2.85Å; N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 2.71Å; F111-Q113 PolarHBondContact O-N 2.77Å; F111-S114 WeakPolarHBondContact O-CB 3.22Å; F111-S114 PolarHBondContact O-N 2.04Å; F111-S114 PolarHBondContact O-OG 3.21Å; F111-A121 HydrophobicContact CZ-CB 4.23Å
112N50.1Low46.2Very low113 Ų11389.3 Ų89.360%0.60447%0.472SS*.Hα-helixtrans-63.9-19.4176-85.22.2000114F108 N109F108-N112 VanDerWaalsContact CE1-ND2 3.26Å; F108-N112 WeakPolarHBondContact CE1-ND2 3.08Å; F108-N112 PolarHBondContact O-N 2.79Å; N109-N112 PolarHBondContact O-N 3.14Å
113Q46.3Very low45.3Very low164 Ų16494.6 Ų94.677%0.76650%0.499SS*.THydrogen-bonded Turntrans-86.2-7.2171.9-72177.2-4.900113.4N109 K110 F111N109-Q113 WeakPolarHBondContact O-CG 3.14Å; N109-Q113 PolarHBondContact O-N 3.13Å; N109-Q113 VanDerWaalsContact O-N 3.14Å; K110-Q113 PolarHBondContact O-N 2.93Å; F111-Q113 PolarHBondContact O-N 2.77Å
114S41.9Very low44.5Very low44 Ų44100 Ų10031%0.30852%0.52SS..  trans-95.5127.7179.976.50000111.6K110 F111 F116K110-S114 PolarHBondContact O-N 2.8Å; F111-S114 WeakPolarHBondContact O-CB 3.22Å; F111-S114 PolarHBondContact O-N 2.04Å; F111-S114 PolarHBondContact O-OG 3.21Å; S114-F116 PolarHBondContact O-N 3.03Å; S114-F116 VanDerWaalsContact O-N 3.13Å
115P48.5Very low44Very low116 Ų116100.9 Ų100.975%0.75353%0.526SS*.SBendtrans-79.611.9-17531.9-36000114.6
116F40.6Very low43.2Very low165 Ų165102 Ų10272%0.72455%0.546SS*.  trans-117.984.2-175.2-71.3-79000111.5S114 N118S114-F116 PolarHBondContact O-N 3.03Å; S114-F116 VanDerWaalsContact O-N 3.13Å; F116-N118 PolarHBondContact O-N 2.91Å
117N33.4Very low42.8Very low159 Ų159102.1 Ų102.185%0.8555%0.549SS*.  trans-63.592.6171.8-79-19.6000111
118N33.4Very low42.9Very low105 Ų105103.7 Ų103.756%0.56156%0.562SS**  trans-113.5105.7-177.8-155.40.7000109.9F116 I120F116-N118 PolarHBondContact O-N 2.91Å; N118-I120 PolarHBondContact O-N 3.27Å
119P42.8Very low43.2Very low96 Ų96106 Ų10662%0.62358%0.577SS**THydrogen-bonded Turntrans-77.724.6-161.732.7-38.3000115.2T122P119-T122 PolarHBondContact O-OG1 3.27Å
120I33Very low43.5Very low127 Ų127103.9 Ų103.965%0.65157%0.566SS**THydrogen-bonded Turntrans-86.7-28.6-175-57.8176.2000111.3N118N118-I120 PolarHBondContact O-N 3.27Å
121A37.6Very low44Very low56 Ų5699.9 Ų99.946%0.46355%0.55SS.*G310 helixtrans-74.6-25.3-179.800000113.8F111 N123 K124F111-A121 HydrophobicContact CZ-CB 4.23Å; A121-N123 PolarHBondContact O-N 3.46Å; A121-K124 PolarHBondContact O-N 3.49Å
122T33.4Very low44.9Very low74 Ų7499.1 Ų99.145%0.45455%0.548SS..G310 helixtrans-64.7-22.8-17729.10000113.8P119 K124 L125P119-T122 PolarHBondContact O-OG1 3.27Å; T122-K124 PolarHBondContact O-N 3.35Å; T122-L125 PolarHBondContact O-N 3Å; T122-L125 VanDerWaalsContact O-N 3.11Å
123N35.7Very low45.8Very low140 Ų14095.1 Ų95.175%0.74953%0.526SS*.G310 helixtrans-64.7-11.8179-70.69.8000114.2A121A121-N123 PolarHBondContact O-N 3.46Å
124K39.8Very low46.6Very low167 Ų16787.7 Ų87.773%0.72649%0.492SS*.G310 helixtrans-97.5-3.4175.5-73.9-168173.2-171.60115A121 T122A121-K124 PolarHBondContact O-N 3.49Å; T122-K124 PolarHBondContact O-N 3.35Å
125L40.6Very low47.7Very low54 Ų5490 Ų9028%0.28350%0.498SS..SBendtrans-120.279.3172.5-71.188.2000107.9T122 A127 D130 I131 I134T122-L125 PolarHBondContact O-N 3Å; T122-L125 VanDerWaalsContact O-N 3.11Å; L125-A127 PolarHBondContact O-N 3.41Å; L125-D130 HydrophobicContact CB-CB 4.31Å; L125-D130 HydrophobicContact CD2-CB 4.08Å; L125-I131 HydrophobicContact CB-CG1 4.32Å; L125-I131 HydrophobicContact CD2-CG1 3.86Å; L125-I134 HydrophobicContact CD2-CD1 3.59Å
126S39.9Very low48.7Very low106 Ų10688.8 Ų88.874%0.74148%0.478SS*.  trans-73.219.9-168.158.40000115.2
127A49.2Very low50.1Low37 Ų3782.2 Ų82.231%0.30645%0.448SS..SBendtrans-145.5135167.500000109.3L125 N129 D130L125-A127 PolarHBondContact O-N 3.41Å; A127-N129 HydrophobicContact CB-CB 4.39Å; A127-N129 PolarHBondContact O-N 3.2Å; A127-N129 VanDerWaalsContact O-N 3.12Å; A127-D130 PolarHBondContact O-N 3.01Å
128T52Low52Low117 Ų11775.4 Ų75.472%0.71841%0.412SS*.Hα-helixtrans-52.5-32.9170.2410000112.1D130 I131 E132T128-D130 VanDerWaalsContact C-N 3.3Å; T128-D130 PolarHBondContact O-N 3.26Å; T128-I131 PolarHBondContact O-N 2.75Å; T128-E132 PolarHBondContact O-N 3.07Å
129N57.2Low53.8Low96 Ų9670.9 Ų70.951%0.51339%0.387SS..Hα-helixtrans-62.5-32179.6-53.811.9000112.6A127 E132 L133A127-N129 HydrophobicContact CB-CB 4.39Å; A127-N129 PolarHBondContact O-N 3.2Å; A127-N129 VanDerWaalsContact O-N 3.12Å; N129-E132 PolarHBondContact O-N 2.89Å; N129-L133 WeakPolarHBondContact O-CB 3.38Å; N129-L133 VanDerWaalsContact O-CG 3.24Å; N129-L133 WeakPolarHBondContact O-CG 3.12Å; N129-L133 PolarHBondContact O-N 2.86Å
130D60.2Low55.3Low13 Ų1367.9 Ų67.97%0.0737%0.365CS..Hα-helixtrans-64.3-44179.6-76.3-14.3000111R49 L125 A127 T128 E132 L133 I134 L139R49-D130 IonicContact CZ-OD1 3.32Å; R49-D130 IonicContact CZ-OD2 3.81Å; R49-D130 VanDerWaalsContact NH1-CG 3.29Å; R49-D130 IonicContact NH1-OD1 2.68Å; R49-D130 PolarHBondContact NH1-OD1 2.88Å; R49-D130 IonicContact NH1-OD2 2.56Å; R49-D130 PolarHBondContact NH1-OD2 3.33Å; R49-D130 VanDerWaalsContact NH1-OD2 3.14Å; R49-D130 IonicContact NH2-OD1 3.59Å; R49-D130 IonicContact NH2-OD2 3.31Å; R49-D130 PolarHBondContact NH2-OD2 3.28Å; L125-D130 HydrophobicContact CB-CB 4.31Å; L125-D130 HydrophobicContact CD2-CB 4.08Å; A127-D130 PolarHBondContact O-N 3.01Å; T128-D130 VanDerWaalsContact C-N 3.3Å; T128-D130 PolarHBondContact O-N 3.26Å; D130-E132 VanDerWaalsContact C-N 3.32Å; D130-L133 PolarHBondContact O-N 2.8Å; D130-I134 WeakPolarHBondContact O-CB 3.29Å; D130-I134 WeakPolarHBondContact O-CD1 3.38Å; D130-I134 WeakPolarHBondContact O-CG1 3.43Å; D130-I134 PolarHBondContact O-N 2.82Å; D130-L139 HydrophobicContact CB-CD2 4.43Å
131I63.9Low57Low49 Ų4962 Ų6225%0.25133%0.334SS..Hα-helixtrans-63.8-42.6178.8-63.8171.9000109.8F108 L125 T128 I134 Q135F108-I131 HydrophobicContact CD2-CG2 4.2Å; F108-I131 HydrophobicContact CE2-CG2 3.59Å; F108-I131 HydrophobicContact CZ-CG2 4.21Å; L125-I131 HydrophobicContact CB-CG1 4.32Å; L125-I131 HydrophobicContact CD2-CG1 3.86Å; T128-I131 PolarHBondContact O-N 2.75Å; I131-I134 PolarHBondContact O-N 2.66Å; I131-Q135 WeakPolarHBondContact O-CG 3.08Å; I131-Q135 PolarHBondContact O-N 3.14Å
132E64.4Low58.7Low83 Ų8359.6 Ų59.639%0.38831%0.314SS..Hα-helixtrans-64.7-43.7177.4-171.5175-170.900112T128 N129 D130 I134 Q135 R136T128-E132 PolarHBondContact O-N 3.07Å; N129-E132 PolarHBondContact O-N 2.89Å; D130-E132 VanDerWaalsContact C-N 3.32Å; E132-I134 VanDerWaalsContact C-N 3.3Å; E132-I134 PolarHBondContact O-N 2.77Å; E132-Q135 WeakPolarHBondContact O-CB 3.46Å; E132-Q135 PolarHBondContact O-N 3.45Å; E132-R136 WeakPolarHBondContact O-CB 3.47Å; E132-R136 VanDerWaalsContact O-CG 3.23Å; E132-R136 WeakPolarHBondContact O-CG 3.31Å; E132-R136 PolarHBondContact O-N 3.11Å; E132-R136 IonicContact OE1-CZ 3.11Å; E132-R136 IonicContact OE1-NE 3.55Å; E132-R136 PolarHBondContact OE1-NE 2.95Å; E132-R136 IonicContact OE1-NH2 2.72Å; E132-R136 PolarHBondContact OE1-NH2 2.81Å
133L67.3Low60.4Low30 Ų3056.5 Ų56.516%0.15730%0.295CS..Hα-helixtrans-66.2-30175-69.7168.5000112.7N129 D130 R137 Q138 L139N129-L133 WeakPolarHBondContact O-CB 3.38Å; N129-L133 VanDerWaalsContact O-CG 3.24Å; N129-L133 WeakPolarHBondContact O-CG 3.12Å; N129-L133 PolarHBondContact O-N 2.86Å; D130-L133 PolarHBondContact O-N 2.8Å; L133-R137 PolarHBondContact O-N 2.82Å; L133-Q138 HydrophobicContact CB-CB 4.44Å; L133-Q138 HydrophobicContact CD2-CB 3.97Å; L133-Q138 WeakPolarHBondContact O-CA 3.09Å; L133-Q138 PolarHBondContact O-N 3.38Å; L133-L139 HydrophobicContact CB-CB 3.85Å; L133-L139 PolarHBondContact O-N 2.7Å; L133-L139 VanDerWaalsContact O-N 3.14Å
134I64.7Low62.1Low8 Ų849.9 Ų49.94%0.04126%0.26CS..Hα-helixtrans-71.7-44.6172.4-71.9161.8000110.8Q104 F108 L125 D130 I131 E132 R136 R137 L139Q104-I134 HydrophobicContact CB-CB 4.44Å; Q104-I134 HydrophobicContact CB-CD1 3.98Å; Q104-I134 HydrophobicContact CB-CG1 3.91Å; Q104-I134 HydrophobicContact CB-CG2 3.67Å; Q104-I134 HydrophobicContact CG-CD1 4.35Å; F108-I134 HydrophobicContact CB-CG2 4.29Å; L125-I134 HydrophobicContact CD2-CD1 3.59Å; D130-I134 WeakPolarHBondContact O-CB 3.29Å; D130-I134 WeakPolarHBondContact O-CD1 3.38Å; D130-I134 WeakPolarHBondContact O-CG1 3.43Å; D130-I134 PolarHBondContact O-N 2.82Å; I131-I134 PolarHBondContact O-N 2.66Å; E132-I134 VanDerWaalsContact C-N 3.3Å; E132-I134 PolarHBondContact O-N 2.77Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.39Å; I134-R137 PolarHBondContact O-N 2.99Å; I134-L139 HydrophobicContact CD1-CD2 4.4Å; I134-L139 HydrophobicContact CG1-CB 4.19Å; I134-L139 HydrophobicContact CG1-CD2 4.21Å
135Q63.1Low63.6Low91 Ų9144.1 Ų44.143%0.42524%0.238SC..Hα-helixtrans-56.6-47173.8-77176.8-3.800111.6Y105 F108 I131 E132 R137Y105-Q135 WeakPolarHBondContact CE2-O 3.26Å; F108-Q135 HydrophobicContact CD1-CG 3.86Å; F108-Q135 HydrophobicContact CE1-CG 3.51Å; F108-Q135 HydrophobicContact CZ-CG 3.92Å; I131-Q135 WeakPolarHBondContact O-CG 3.08Å; I131-Q135 PolarHBondContact O-N 3.14Å; E132-Q135 WeakPolarHBondContact O-CB 3.46Å; E132-Q135 PolarHBondContact O-N 3.45Å; Q135-R137 PolarHBondContact O-N 3.22Å; Q135-R137 VanDerWaalsContact O-N 3.13Å
136R70Confident65.1Low92 Ų9245.1 Ų45.135%0.34724%0.244SC..THydrogen-bonded Turntrans-69.20.4176.7-67.1175.9-174.2-119.213.3113.7E55 P56 E132 I134 Q138E55-R136 HydrophobicContact CG-CB 3.99Å; E55-R136 HydrophobicContact CG-CG 4.31Å; E55-R136 WeakPolarHBondContact OE2-CD 3.42Å; E55-R136 IonicContact OE2-CZ 3.41Å; E55-R136 IonicContact OE2-NE 3.29Å; E55-R136 IonicContact OE2-NH1 3Å; E55-R136 PolarHBondContact OE2-NH1 3.2Å; P56-R136 WeakPolarHBondContact CD-O 3.24Å; E132-R136 WeakPolarHBondContact O-CB 3.47Å; E132-R136 VanDerWaalsContact O-CG 3.23Å; E132-R136 WeakPolarHBondContact O-CG 3.31Å; E132-R136 PolarHBondContact O-N 3.11Å; E132-R136 IonicContact OE1-CZ 3.11Å; E132-R136 IonicContact OE1-NE 3.55Å; E132-R136 PolarHBondContact OE1-NE 2.95Å; E132-R136 IonicContact OE1-NH2 2.72Å; E132-R136 PolarHBondContact OE1-NH2 2.81Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.39Å; R136-Q138 HydrophobicContact CB-CG 3.96Å; R136-Q138 VanDerWaalsContact CD-OE1 3.29Å; R136-Q138 PolarHBondContact O-N 2.85Å
137R70Confident66.6Low26 Ų2640.1 Ų40.110%0.09821%0.209CC..THydrogen-bonded Turntrans54.333.2-175-55.1164.963.7-153.54.7112.9P56 K57 D60 I62 Y105 L133 I134 Q135 F140P56-R137 HydrophobicContact CG-CB 3.87Å; P56-R137 WeakPolarHBondContact CG-O 3.28Å; K57-R137 PolarHBondContact O-NH1 2.83Å; D60-R137 PolarHBondContact O-NH1 3.35Å; D60-R137 PolarHBondContact O-NH2 3.03Å; I62-R137 HydrophobicContact CD1-CB 4.21Å; I62-R137 VanDerWaalsContact CD1-NH2 3.3Å; Y105-R137 HydrophobicContact CD2-CG 3.56Å; Y105-R137 HydrophobicContact CE2-CG 3.72Å; Y105-R137 HydrophobicContact CG-CG 4.03Å; L133-R137 PolarHBondContact O-N 2.82Å; I134-R137 PolarHBondContact O-N 2.99Å; Q135-R137 PolarHBondContact O-N 3.22Å; Q135-R137 VanDerWaalsContact O-N 3.13Å; R137-F140 WeakPolarHBondContact O-CE2 3.27Å; R137-F140 WeakPolarHBondContact O-CZ 3.19Å
138Q73.7Confident68Low17 Ų1741 Ų418%0.07921%0.206CC..  trans-96.8-36.8179.6-69.6-172.3-95.200113.1Q51 I52 E55 L133 R136 F140Q51-Q138 WeakPolarHBondContact CA-O 2.92Å; I52-Q138 PolarHBondContact N-O 3.23Å; I52-Q138 PolarHBondContact O-NE2 2.77Å; E55-Q138 HydrophobicContact CB-CG 4.36Å; L133-Q138 HydrophobicContact CB-CB 4.44Å; L133-Q138 HydrophobicContact CD2-CB 3.97Å; L133-Q138 WeakPolarHBondContact O-CA 3.09Å; L133-Q138 PolarHBondContact O-N 3.38Å; R136-Q138 HydrophobicContact CB-CG 3.96Å; R136-Q138 VanDerWaalsContact CD-OE1 3.29Å; R136-Q138 PolarHBondContact O-N 2.85Å; Q138-F140 WeakPolarHBondContact O-CD2 2.94Å
139L72Confident68.8Low10 Ų1037 Ų375%0.05218%0.183CC..EExtended strand (participates in β ladder)trans-91.9123.6-179-177.861.5000111.2R49 Q51 D130 L133 I134R49-L139 HydrophobicContact CB-CD1 4.22Å; R49-L139 HydrophobicContact CG-CD1 4.34Å; Q51-L139 HydrophobicContact CB-CD1 4.44Å; D130-L139 HydrophobicContact CB-CD2 4.43Å; L133-L139 HydrophobicContact CB-CB 3.85Å; L133-L139 PolarHBondContact O-N 2.7Å; L133-L139 VanDerWaalsContact O-N 3.14Å; I134-L139 HydrophobicContact CD1-CD2 4.4Å; I134-L139 HydrophobicContact CG1-CB 4.19Å; I134-L139 HydrophobicContact CG1-CD2 4.21Å
140F73.3Confident69.3Low33 Ų3334.6 Ų34.615%0.14517%0.171CC..EExtended strand (participates in β ladder)trans-120.9114.4174.3-61.7-87.4000109.5C50 I52 I62 V64 F101 R137 Q138C50-F140 PolarHBondContact N-O 3.09Å; C50-F140 PolarHBondContact O-N 2.94Å; I52-F140 HydrophobicContact CD1-CD2 3.96Å; I52-F140 HydrophobicContact CD1-CE2 3.41Å; I52-F140 VanDerWaalsContact CD1-CE2 3.41Å; I52-F140 HydrophobicContact CD1-CZ 4.29Å; I52-F140 HydrophobicContact CG1-CD2 3.93Å; I52-F140 HydrophobicContact CG1-CE2 3.77Å; I62-F140 HydrophobicContact CD1-CZ 3.9Å; I62-F140 HydrophobicContact CG2-CE1 4.37Å; I62-F140 HydrophobicContact CG2-CE2 4.3Å; I62-F140 HydrophobicContact CG2-CZ 3.84Å; V64-F140 HydrophobicContact CG1-CB 4.37Å; V64-F140 HydrophobicContact CG2-CB 4.27Å; V64-F140 HydrophobicContact CG2-CD1 3.63Å; V64-F140 HydrophobicContact CG2-CD2 4.27Å; V64-F140 HydrophobicContact CG2-CE1 4.01Å; V64-F140 HydrophobicContact CG2-CG 3.77Å; V64-F140 HydrophobicContact CG2-CZ 4.5Å; F101-F140 HydrophobicContact CZ-CD1 4.28Å; R137-F140 WeakPolarHBondContact O-CE2 3.27Å; R137-F140 WeakPolarHBondContact O-CZ 3.19Å; Q138-F140 WeakPolarHBondContact O-CD2 2.94Å
141T68.7Low69.9Low2 Ų234 Ų341%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-109.9110.5-177.7-45.90000110.5Y47 L48 R49 Q104 T143Y47-T141 HydrophobicContact CD1-CG2 3.88Å; Y47-T141 HydrophobicContact CG-CG2 4.36Å; L48-T141 WeakPolarHBondContact O-CA 3.24Å; R49-T141 HydrophobicContact CG-CG2 4.11Å; Q104-T141 PolarHBondContact NE2-OG1 2.68Å; Q104-T141 VanDerWaalsContact OE1-CB 3.26Å; Q104-T141 VanDerWaalsContact OE1-N 3.15Å; Q104-T141 PolarHBondContact OE1-OG1 2.76Å; T141-T143 HydrophobicContact CG2-CG2 4.39Å
142L73.7Confident70.5Confident6 Ų631.8 Ų31.83%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-81.9118.1165.5172.359.9000107.9L48 W66 C99 F101 L144L48-L142 HydrophobicContact CB-CB 4.25Å; L48-L142 WeakPolarHBondContact CB-O 3.36Å; L48-L142 HydrophobicContact CD1-CD2 4.13Å; L48-L142 HydrophobicContact CD1-CG 4.45Å; L48-L142 PolarHBondContact N-O 2.73Å; L48-L142 PolarHBondContact O-N 2.79Å; W66-L142 HydrophobicContact CB-CD2 4.17Å; W66-L142 HydrophobicContact CD2-CB 4.03Å; W66-L142 HydrophobicContact CD2-CD2 3.51Å; W66-L142 HydrophobicContact CD2-CG 4.42Å; W66-L142 HydrophobicContact CE3-CB 4.47Å; W66-L142 HydrophobicContact CE3-CD2 3.78Å; W66-L142 HydrophobicContact CG-CD2 3.65Å; W66-L142 HydrophobicContact CH2-CB 4.07Å; W66-L142 HydrophobicContact CZ2-CB 3.58Å; W66-L142 HydrophobicContact CZ3-CB 4.46Å; W66-L142 HydrophobicContact CZ3-CD2 4.38Å; C99-L142 HydrophobicContact CB-CD1 4.01Å; F101-L142 HydrophobicContact CB-CD1 3.96Å; F101-L142 HydrophobicContact CD2-CB 4.03Å; F101-L142 HydrophobicContact CD2-CD1 4.05Å; L142-L144 HydrophobicContact CD1-CD2 4.42Å; L142-L144 HydrophobicContact CD2-CD2 4.14Å; L142-L144 HydrophobicContact CG-CD2 4.08Å
143T68.2Low71Confident9 Ų928 Ų286%0.05514%0.139CC..EExtended strand (participates in β ladder)trans-93122174.785.20000108.7L46 Y47 E100 V102 T141L46-T143 WeakPolarHBondContact O-CA 3.46Å; Y47-T143 HydrophobicContact CD1-CG2 3.62Å; Y47-T143 HydrophobicContact CE1-CG2 3.6Å; E100-T143 WeakPolarHBondContact CB-OG1 3.38Å; E100-T143 PolarHBondContact N-O 3.15Å; E100-T143 WeakPolarHBondContact O-CB 3.36Å; E100-T143 PolarHBondContact O-N 2.77Å; E100-T143 VanDerWaalsContact O-N 3.1Å; E100-T143 PolarHBondContact O-OG1 2.72Å; V102-T143 HydrophobicContact CG2-CG2 4.21Å; T141-T143 HydrophobicContact CG2-CG2 4.39Å
144L72.3Confident71.5Confident2 Ų228.3 Ų28.31%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-99.3109.3170.8-61.5-175.7000107.2T45 L46 L48 C99 L142 L147 M151 F155 L172T45-L144 WeakPolarHBondContact CA-O 3.18Å; L46-L144 HydrophobicContact CB-CB 4.48Å; L46-L144 HydrophobicContact CD2-CD1 4.49Å; L46-L144 PolarHBondContact N-O 3.35Å; L46-L144 PolarHBondContact O-N 3.26Å; L48-L144 HydrophobicContact CD1-CD1 3.66Å; L48-L144 HydrophobicContact CD1-CG 3.98Å; L48-L144 HydrophobicContact CG-CD1 4.2Å; L48-L144 HydrophobicContact CG-CG 4.31Å; C99-L144 HydrophobicContact CB-CD2 3.69Å; L142-L144 HydrophobicContact CD1-CD2 4.42Å; L142-L144 HydrophobicContact CD2-CD2 4.14Å; L142-L144 HydrophobicContact CG-CD2 4.08Å; L144-L147 HydrophobicContact CB-CD2 3.46Å; L144-L147 VanDerWaalsContact CB-CD2 3.46Å; L144-L147 HydrophobicContact CD1-CD2 3.92Å; L144-L147 HydrophobicContact CG-CD2 4.36Å; L144-M151 HydrophobicContact CB-SD 4.4Å; L144-M151 HydrophobicContact CD1-SD 4.21Å; L144-F155 HydrophobicContact CD1-CE1 3.89Å; L144-F155 HydrophobicContact CD1-CE2 4.36Å; L144-F155 HydrophobicContact CD1-CZ 3.62Å; L144-L172 HydrophobicContact CD1-CD2 4.06Å
145T70.6Confident72.1Confident45 Ų4528 Ų2828%0.27614%0.139SC..  trans-99.8143.1-178.851.40000110T45 T98T45-T145 HydrophobicContact CG2-CG2 4.15Å; T98-T145 PolarHBondContact OG1-O 3.18Å
146N71.9Confident72.7Confident76 Ų7625.1 Ų25.141%0.40613%0.126SC..SBendtrans53.853.7-178.1-172.446.9000112.8N43 S44 Q148N43-N146 WeakPolarHBondContact CA-OD1 2.96Å; N43-N146 WeakPolarHBondContact CB-OD1 3.04Å; N43-N146 PolarHBondContact OD1-OD1 3.39Å; S44-N146 WeakPolarHBondContact O-CA 3.22Å; S44-N146 PolarHBondContact O-N 2.86Å; S44-N146 VanDerWaalsContact O-N 3.07Å; N146-Q148 PolarHBondContact ND2-NE2 3.26Å; N146-Q148 WeakPolarHBondContact O-CG 3.43Å; N146-Q148 PolarHBondContact O-N 2.82Å; N146-Q148 PolarHBondContact O-NE2 3.17Å; N146-Q148 PolarHBondContact OD1-NE2 2.72Å
147L72.7Confident73.1Confident0 Ų020.8 Ų20.80%011%0.109CC..  trans-43.8123-176.3-78.9-167.2000113.4V40 I42 N43 S44 L46 L144 M151 L172 I174V40-L147 HydrophobicContact CB-CD1 3.92Å; V40-L147 HydrophobicContact CG1-CD1 3.86Å; I42-L147 CarbonylContact C-O 2.94Å; I42-L147 WeakPolarHBondContact CA-O 3.2Å; I42-L147 WeakPolarHBondContact CG1-O 3.13Å; N43-L147 PolarHBondContact N-O 2.75Å; S44-L147 PolarHBondContact O-N 2.87Å; S44-L147 WeakPolarHBondContact OG-CD1 3.38Å; L46-L147 HydrophobicContact CB-CD1 3.89Å; L46-L147 HydrophobicContact CB-CD2 4.3Å; L46-L147 HydrophobicContact CB-CG 4.27Å; L46-L147 HydrophobicContact CD2-CD1 3.98Å; L46-L147 HydrophobicContact CD2-CD2 4.4Å; L144-L147 HydrophobicContact CB-CD2 3.46Å; L144-L147 VanDerWaalsContact CB-CD2 3.46Å; L144-L147 HydrophobicContact CD1-CD2 3.92Å; L144-L147 HydrophobicContact CG-CD2 4.36Å; L147-M151 HydrophobicContact CD2-CG 4.49Å; L147-M151 HydrophobicContact CD2-SD 3.54Å; L147-M151 VanDerWaalsContact CD2-SD 3.54Å; L147-L172 HydrophobicContact CD1-CD1 4.27Å; L147-L172 HydrophobicContact CD1-CD2 4.25Å; L147-L172 HydrophobicContact CD2-CD2 4.06Å; L147-I174 HydrophobicContact CB-CD1 3.98Å; L147-I174 HydrophobicContact CB-CG2 4.43Å; L147-I174 HydrophobicContact CD1-CD1 4.17Å; L147-I174 HydrophobicContact CD1-CG1 4.2Å; L147-I174 HydrophobicContact CD2-CD1 4.03Å; L147-I174 HydrophobicContact CG-CD1 4.31Å
148Q77.4Confident73.4Confident55 Ų5521 Ų2126%0.25711%0.111SC..  trans-108.6166.3-177.4-69.1-49.5-59.100113.1N43 N146 D150 M151 I174N43-Q148 PolarHBondContact OD1-NE2 2.64Å; N146-Q148 PolarHBondContact ND2-NE2 3.26Å; N146-Q148 WeakPolarHBondContact O-CG 3.43Å; N146-Q148 PolarHBondContact O-N 2.82Å; N146-Q148 PolarHBondContact O-NE2 3.17Å; N146-Q148 PolarHBondContact OD1-NE2 2.72Å; Q148-D150 VanDerWaalsContact CB-OD1 3.3Å; Q148-D150 WeakPolarHBondContact CB-OD1 3.28Å; Q148-D150 PolarHBondContact O-N 3.24Å; Q148-M151 HydrophobicContact CB-CE 4.08Å; Q148-M151 HydrophobicContact CB-CG 4.42Å; Q148-M151 HydrophobicContact CG-CE 4.32Å; Q148-M151 WeakPolarHBondContact O-CG 3.18Å; Q148-M151 PolarHBondContact O-N 3.43Å; Q148-I174 WeakPolarHBondContact O-CD1 3.43Å
149S69.2Low73.5Confident33 Ų3320.3 Ų20.323%0.23111%0.108CC..G310 helixtrans-59.5-29-176.549.60000114.7H72 N152 F261H72-S149 PolarHBondContact NE2-O 2.86Å; H72-S149 VanDerWaalsContact NE2-O 3.07Å; S149-N152 WeakPolarHBondContact O-CB 3.06Å; S149-F261 VanDerWaalsContact CB-CE1 3.48Å; S149-F261 VanDerWaalsContact CB-CG 3.47Å; S149-F261 WeakPolarHBondContact O-CD2 3.49Å; S149-F261 WeakPolarHBondContact O-CE2 3.1Å; S149-F261 WeakPolarHBondContact O-CZ 3.32Å
150D67.1Low73.5Confident47 Ų4721.5 Ų21.525%0.25111%0.114SC..G310 helixtrans-70.6-33179.657.7-2.2000113.6F68 H70 P95 Q148 N152F68-D150 WeakPolarHBondContact CZ-O 3.45Å; H70-D150 PolarHBondContact CE1-O 3.23Å; H70-D150 PolarHBondContact ND1-O 2.7Å; P95-D150 HydrophobicContact CB-CB 4.12Å; P95-D150 WeakPolarHBondContact CB-OD2 3.16Å; P95-D150 HydrophobicContact CG-CB 4.3Å; Q148-D150 VanDerWaalsContact CB-OD1 3.3Å; Q148-D150 WeakPolarHBondContact CB-OD1 3.28Å; Q148-D150 PolarHBondContact O-N 3.24Å; D150-N152 PolarHBondContact O-N 2.75Å; D150-N152 VanDerWaalsContact O-N 3.09Å
151M72.8Confident73.6Confident0 Ų020.8 Ų20.80%011%0.113CC..G310 helixtrans-71.32.2178.9-5.2-167166.800114.2F68 P96 T98 L144 L147 Q148 G153 F155 I174F68-M151 VanDerWaalsContact CE2-O 3.23Å; F68-M151 WeakPolarHBondContact CE2-O 3.39Å; F68-M151 WeakPolarHBondContact CZ-O 3.45Å; P96-M151 HydrophobicContact CB-CB 4.14Å; P96-M151 HydrophobicContact CB-CE 3.52Å; P96-M151 HydrophobicContact CB-CG 3.57Å; P96-M151 HydrophobicContact CB-SD 3.48Å; P96-M151 WeakPolarHBondContact CB-SD 3.09Å; P96-M151 HydrophobicContact CG-CB 3.48Å; P96-M151 VanDerWaalsContact CG-CB 3.48Å; P96-M151 HydrophobicContact CG-CE 4.34Å; P96-M151 HydrophobicContact CG-CG 3.52Å; P96-M151 HydrophobicContact CG-SD 3.61Å; T98-M151 VanDerWaalsContact OG1-CE 3.25Å; T98-M151 WeakPolarHBondContact OG1-CE 3.28Å; L144-M151 HydrophobicContact CB-SD 4.4Å; L144-M151 HydrophobicContact CD1-SD 4.21Å; L147-M151 HydrophobicContact CD2-CG 4.49Å; L147-M151 HydrophobicContact CD2-SD 3.54Å; L147-M151 VanDerWaalsContact CD2-SD 3.54Å; Q148-M151 HydrophobicContact CB-CE 4.08Å; Q148-M151 HydrophobicContact CB-CG 4.42Å; Q148-M151 HydrophobicContact CG-CE 4.32Å; Q148-M151 WeakPolarHBondContact O-CG 3.18Å; Q148-M151 PolarHBondContact O-N 3.43Å; M151-G153 PolarHBondContact O-N 2.82Å; M151-F155 HydrophobicContact CB-CZ 4.31Å; M151-F155 WeakPolarHBondContact O-CE2 2.91Å; M151-I174 HydrophobicContact CB-CD1 3.47Å; M151-I174 VanDerWaalsContact CB-CD1 3.47Å; M151-I174 HydrophobicContact CG-CD1 3.71Å
152N76.6Confident73.8Confident3 Ų324.3 Ų24.32%0.01613%0.132CC..  trans-73.4108.2177.9-169.279.4000111.8S71 H72 S149 D150 L172 N173 I174 N226 F261S71-N152 WeakPolarHBondContact CB-O 3.28Å; S71-N152 PolarHBondContact N-O 3.06Å; S71-N152 PolarHBondContact OG-ND2 3.27Å; S71-N152 PolarHBondContact OG-O 2.77Å; H72-N152 WeakPolarHBondContact NE2-CB 3.25Å; S149-N152 WeakPolarHBondContact O-CB 3.06Å; D150-N152 PolarHBondContact O-N 2.75Å; D150-N152 VanDerWaalsContact O-N 3.09Å; N152-L172 WeakPolarHBondContact CA-O 3.33Å; N152-N173 VanDerWaalsContact OD1-CA 3.24Å; N152-N173 WeakPolarHBondContact OD1-CA 3.48Å; N152-I174 HydrophobicContact CB-CB 4.32Å; N152-I174 PolarHBondContact OD1-N 2.64Å; N152-N226 PolarHBondContact OD1-ND2 3Å; N152-F261 HydrophobicContact CB-CE2 3.45Å; N152-F261 VanDerWaalsContact CB-CE2 3.45Å; N152-F261 HydrophobicContact CB-CZ 3.85Å
153G76.8Confident73.3Confident3 Ų330.3 Ų30.33%0.03116%0.163CC..EExtended strand (participates in β ladder)trans168.2-163.2-17400000115.2R69 M151 Y171 L172R69-G153 CarbonylContact O-C 3.51Å; R69-G153 VanDerWaalsContact O-CA 3.24Å; R69-G153 WeakPolarHBondContact O-CA 2.82Å; M151-G153 PolarHBondContact O-N 2.82Å; G153-Y171 WeakPolarHBondContact O-CA 3.41Å; G153-L172 PolarHBondContact N-O 3.09Å; G153-L172 PolarHBondContact O-N 3.06Å
154L75.9Confident73.3Confident37 Ų3732.1 Ų32.119%0.19417%0.172CC..EExtended strand (participates in β ladder)trans-90.1122.4178.6178.967.7000110.3F68 R69 R169 Y171F68-L154 CarbonylContact C-O 3.54Å; F68-L154 WeakPolarHBondContact CA-O 3.43Å; F68-L154 WeakPolarHBondContact CD2-O 3.4Å; R69-L154 PolarHBondContact N-O 3.19Å; R69-L154 PolarHBondContact O-N 2.88Å; L154-R169 HydrophobicContact CD1-CB 4.33Å; L154-Y171 HydrophobicContact CB-CD1 3.96Å; L154-Y171 HydrophobicContact CB-CE1 3.69Å; L154-Y171 HydrophobicContact CD1-CD1 4.19Å; L154-Y171 HydrophobicContact CD1-CD2 3.88Å; L154-Y171 HydrophobicContact CD1-CE1 4.08Å; L154-Y171 HydrophobicContact CD1-CE2 3.73Å; L154-Y171 HydrophobicContact CD1-CG 4.1Å; L154-Y171 HydrophobicContact CG-CE1 4.36Å
155F78.2Confident73.4Confident2 Ų234.6 Ų34.61%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-95142165.2-73.7-95.4000110.3L31 L48 W66 R67 F68 L144 M151 R169 G170 L172L31-F155 HydrophobicContact CD2-CB 4.47Å; L48-F155 HydrophobicContact CD1-CD1 3.58Å; L48-F155 HydrophobicContact CD1-CE1 3.84Å; L48-F155 HydrophobicContact CD1-CG 4Å; L48-F155 HydrophobicContact CD1-CZ 4.47Å; W66-F155 HydrophobicContact CE3-CD1 4.48Å; R67-F155 WeakPolarHBondContact O-CA 3.46Å; F68-F155 HydrophobicContact CB-CD1 4.4Å; F68-F155 HydrophobicContact CB-CE1 4.23Å; F68-F155 HydrophobicContact CD2-CD1 4.1Å; F68-F155 AromaticContact CD2-CD2 3.81Å; F68-F155 HydrophobicContact CD2-CD2 3.81Å; F68-F155 AromaticContact CD2-CE1 3.8Å; F68-F155 HydrophobicContact CD2-CE1 3.8Å; F68-F155 AromaticContact CD2-CE2 3.47Å; F68-F155 HydrophobicContact CD2-CE2 3.47Å; F68-F155 VanDerWaalsContact CD2-CE2 3.47Å; F68-F155 HydrophobicContact CD2-CG 4.11Å; F68-F155 AromaticContact CD2-CZ 3.47Å; F68-F155 HydrophobicContact CD2-CZ 3.47Å; F68-F155 VanDerWaalsContact CD2-CZ 3.47Å; F68-F155 HydrophobicContact CE2-CD2 4.11Å; F68-F155 AromaticContact CE2-CE2 3.51Å; F68-F155 HydrophobicContact CE2-CE2 3.51Å; F68-F155 AromaticContact CE2-CZ 3.76Å; F68-F155 HydrophobicContact CE2-CZ 3.76Å; F68-F155 HydrophobicContact CG-CE1 4.16Å; F68-F155 HydrophobicContact CG-CZ 4.12Å; L144-F155 HydrophobicContact CD1-CE1 3.89Å; L144-F155 HydrophobicContact CD1-CE2 4.36Å; L144-F155 HydrophobicContact CD1-CZ 3.62Å; M151-F155 HydrophobicContact CB-CZ 4.31Å; M151-F155 WeakPolarHBondContact O-CE2 2.91Å; F155-R169 WeakPolarHBondContact O-CA 2.87Å; F155-G170 PolarHBondContact N-O 2.89Å; F155-G170 PolarHBondContact O-N 3.23Å; F155-L172 HydrophobicContact CD2-CB 3.77Å; F155-L172 HydrophobicContact CD2-CD2 4.33Å; F155-L172 HydrophobicContact CE2-CB 3.73Å; F155-L172 HydrophobicContact CE2-CD2 3.6Å; F155-L172 HydrophobicContact CE2-CG 4.27Å; F155-L172 HydrophobicContact CZ-CD2 4.21Å
156Q76.1Confident73.7Confident30 Ų3035.5 Ų35.514%0.1419%0.192CC..EExtended strand (participates in β ladder)trans-134.1113.5170.6172.2-175.435.800108.1R67 D167 K168 R169R67-Q156 HydrophobicContact CB-CB 4.15Å; R67-Q156 PolarHBondContact N-O 2.69Å; R67-Q156 PolarHBondContact O-N 2.87Å; Q156-D167 HydrophobicContact CG-CB 4.38Å; Q156-D167 PolarHBondContact NE2-OD2 3.5Å; Q156-K168 CarbonylContact C-O 3.44Å; Q156-K168 VanDerWaalsContact CA-O 3.27Å; Q156-K168 WeakPolarHBondContact CA-O 3.04Å; Q156-R169 HydrophobicContact CB-CG 4.07Å; Q156-R169 HydrophobicContact CG-CG 4.01Å
157C78.3Confident74.1Confident0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-77.7141163.8178.20000108.6L31 C50 W66 D167 K168L31-C157 HydrophobicContact CD1-CB 3.35Å; C50-C157 HydrophobicContact CB-CB 3.74Å; C50-C157 WeakPolarHBondContact CB-SG 3.2Å; C50-C157 WeakPolarHBondContact SG-CB 3.04Å; C50-C157 CovalentContact SG-SG 2.04Å; C50-C157 PolarHBondContact SG-SG 2.96Å; W66-C157 HydrophobicContact CD2-CB 4.5Å; W66-C157 HydrophobicContact CE3-CB 4.28Å; W66-C157 HydrophobicContact CH2-CB 4.02Å; W66-C157 HydrophobicContact CZ2-CB 4.24Å; W66-C157 HydrophobicContact CZ3-CB 4.07Å; C157-D167 VanDerWaalsContact O-CA 3.25Å; C157-D167 WeakPolarHBondContact O-CA 3.05Å; C157-K168 PolarHBondContact N-O 2.64Å; C157-K168 PolarHBondContact O-N 2.71Å
158H76.7Confident74.4Confident31 Ų3139.2 Ų39.214%0.14421%0.208CC..EExtended strand (participates in β ladder)trans-141.897.2178.5-176.765.9000108.4I65 R67 Y166 D167I65-H158 HydrophobicContact CB-CB 4.33Å; I65-H158 WeakPolarHBondContact CB-O 3.34Å; I65-H158 PolarHBondContact N-O 2.6Å; I65-H158 PolarHBondContact O-N 2.65Å; R67-H158 PolarHBondContact NH2-NE2 2.87Å; H158-Y166 CarbonylContact C-O 3.59Å; H158-Y166 VanDerWaalsContact CA-O 3.31Å; H158-Y166 WeakPolarHBondContact CA-O 3.09Å; H158-D167 HydrophobicContact CB-CB 4.45Å
159T75Confident74.6Confident2 Ų241 Ų411%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-92.7134179.761.60000110.5I52 Y63 V64 A165 Y166I52-T159 HydrophobicContact CD1-CG2 3.95Å; I52-T159 HydrophobicContact CG1-CG2 3.99Å; Y63-T159 CarbonylContact O-C 3.6Å; Y63-T159 WeakPolarHBondContact O-CA 3.07Å; V64-T159 HydrophobicContact CG1-CG2 4.17Å; V64-T159 HydrophobicContact CG2-CG2 4.12Å; T159-A165 WeakPolarHBondContact O-CA 3.45Å; T159-Y166 PolarHBondContact N-O 2.7Å; T159-Y166 PolarHBondContact O-N 2.81Å
160L71.8Confident75Confident35 Ų3539.4 Ų39.418%0.18320%0.201CC..EExtended strand (participates in β ladder)trans-109.4114.6171.2-59.9168.4000107.8I62 Y63 I65 D164 A165I62-L160 WeakPolarHBondContact CA-O 3.31Å; Y63-L160 HydrophobicContact CD2-CB 4.32Å; Y63-L160 PolarHBondContact N-O 2.71Å; Y63-L160 PolarHBondContact O-N 3.25Å; I65-L160 HydrophobicContact CD1-CD1 3.78Å; I65-L160 HydrophobicContact CD1-CG 4.5Å; L160-D164 WeakPolarHBondContact CA-O 3.33Å; L160-A165 HydrophobicContact CD2-CB 3.69Å
161V76.1Confident75.7Confident19 Ų1942 Ų4212%0.11521%0.208CC..EExtended strand (participates in β ladder)trans-105.6106170.8-177.40000107.7I52 P56 D60 S61 I62 L163 D164 Y166I52-V161 HydrophobicContact CD1-CG2 3.62Å; I52-V161 HydrophobicContact CG2-CG2 4.07Å; P56-V161 HydrophobicContact CB-CG1 3.99Å; D60-V161 HydrophobicContact CB-CG1 4.25Å; S61-V161 WeakPolarHBondContact O-CA 3.26Å; I62-V161 HydrophobicContact CG2-CG2 4.42Å; V161-L163 PolarHBondContact O-N 2.72Å; V161-D164 PolarHBondContact N-O 2.92Å; V161-D164 VanDerWaalsContact O-CB 3.25Å; V161-D164 WeakPolarHBondContact O-CB 3.22Å; V161-D164 PolarHBondContact O-N 3.26Å; V161-Y166 HydrophobicContact CG2-CE2 4.43Å
162N73Confident76.1Confident75 Ų7542 Ų4240%0.40121%0.208SC..THydrogen-bonded Turntrans46.446.4-172.3-62.4-25.1000113D60 S61 D164D60-N162 WeakPolarHBondContact CA-OD1 2.98Å; D60-N162 PolarHBondContact OD1-ND2 3.37Å; S61-N162 PolarHBondContact N-OD1 2.89Å; S61-N162 PolarHBondContact O-N 2.83Å; S61-N162 PolarHBondContact O-OD1 3.33Å; S61-N162 PolarHBondContact OG-OD1 2.87Å; N162-D164 VanDerWaalsContact C-N 3.32Å; N162-D164 PolarHBondContact O-N 2.79Å
163L63.6Low76.3Confident133 Ų13344.5 Ų44.570%0.69622%0.221SC*.THydrogen-bonded Turntrans77.3-12.9-173.6-48.3172.2000117V161 A165V161-L163 PolarHBondContact O-N 2.72Å; L163-A165 PolarHBondContact O-N 2.78Å
164D67.4Low76.5Confident46 Ų4644.3 Ų44.325%0.24622%0.22CC..EExtended strand (participates in β ladder)trans-71.4115.7177.4-135.4-18.1000109.9L160 V161 N162 Y166 Y1242L160-D164 WeakPolarHBondContact CA-O 3.33Å; V161-D164 PolarHBondContact N-O 2.92Å; V161-D164 VanDerWaalsContact O-CB 3.25Å; V161-D164 WeakPolarHBondContact O-CB 3.22Å; V161-D164 PolarHBondContact O-N 3.26Å; N162-D164 VanDerWaalsContact C-N 3.32Å; N162-D164 PolarHBondContact O-N 2.79Å; D164-Y166 HydrophobicContact CB-CE2 4.17Å; D164-Y1242 PolarHBondContact OD1-OH 2.9Å
165A74.8Confident76.8Confident55 Ų5543.9 Ų43.946%0.45522%0.217SC..EExtended strand (participates in β ladder)trans-98.5121.3-167.400000113.3T159 L160 L163T159-A165 WeakPolarHBondContact O-CA 3.45Å; L160-A165 HydrophobicContact CD2-CB 3.69Å; L163-A165 PolarHBondContact O-N 2.78Å
166Y77.3Confident77Confident63 Ų6343.9 Ų43.925%0.24722%0.218CC..EExtended strand (participates in β ladder)trans-116.1125.5172.8-53.2-98.6000109.2I52 P53 H158 T159 V161 D164I52-Y166 HydrophobicContact CG2-CD2 4.48Å; I52-Y166 HydrophobicContact CG2-CE2 4.48Å; P53-Y166 HydrophobicContact CG-CD1 3.81Å; P53-Y166 HydrophobicContact CG-CE1 3.79Å; H158-Y166 CarbonylContact C-O 3.59Å; H158-Y166 VanDerWaalsContact CA-O 3.31Å; H158-Y166 WeakPolarHBondContact CA-O 3.09Å; T159-Y166 PolarHBondContact N-O 2.7Å; T159-Y166 PolarHBondContact O-N 2.81Å; V161-Y166 HydrophobicContact CG2-CE2 4.43Å; D164-Y166 HydrophobicContact CB-CE2 4.17Å
167D78.6Confident77.3Confident62 Ų6244.7 Ų44.733%0.33223%0.225SC..EExtended strand (participates in β ladder)trans-120.5144.4174.391.3-79.3000114.1Q156 C157 H158 R169Q156-D167 HydrophobicContact CG-CB 4.38Å; Q156-D167 PolarHBondContact NE2-OD2 3.5Å; C157-D167 VanDerWaalsContact O-CA 3.25Å; C157-D167 WeakPolarHBondContact O-CA 3.05Å; H158-D167 HydrophobicContact CB-CB 4.45Å; D167-R169 IonicContact OD1-NH2 3.5Å; D167-R169 IonicContact OD2-CZ 3.51Å; D167-R169 VanDerWaalsContact OD2-CZ 3.27Å; D167-R169 IonicContact OD2-NE 3.47Å; D167-R169 PolarHBondContact OD2-NE 3.23Å; D167-R169 IonicContact OD2-NH2 2.67Å; D167-R169 PolarHBondContact OD2-NH2 3.46Å
168K79.9Confident77.5Confident92 Ų9244.9 Ų44.940%0.423%0.227SC..EExtended strand (participates in β ladder)trans-144.9149.2179.2-72.7-60.7-177.2-169.70110.7L31 Q156 C157L31-K168 HydrophobicContact CB-CB 3.56Å; L31-K168 WeakPolarHBondContact O-CB 3.46Å; L31-K168 WeakPolarHBondContact O-CG 2.93Å; Q156-K168 CarbonylContact C-O 3.44Å; Q156-K168 VanDerWaalsContact CA-O 3.27Å; Q156-K168 WeakPolarHBondContact CA-O 3.04Å; C157-K168 PolarHBondContact N-O 2.64Å; C157-K168 PolarHBondContact O-N 2.71Å
169R81Confident77.5Confident93 Ų9347.7 Ų47.735%0.35124%0.24SC..EExtended strand (participates in β ladder)trans-132.6156.4-165.1-60.3-177.2-163.9170.910.1112.4S32 P35 L154 F155 Q156 D167S32-R169 PolarHBondContact N-O 3.31Å; S32-R169 PolarHBondContact O-N 2.74Å; S32-R169 VanDerWaalsContact O-O 3.04Å; P35-R169 WeakPolarHBondContact CA-O 3.25Å; P35-R169 HydrophobicContact CB-CB 3.91Å; L154-R169 HydrophobicContact CD1-CB 4.33Å; F155-R169 WeakPolarHBondContact O-CA 2.87Å; Q156-R169 HydrophobicContact CB-CG 4.07Å; Q156-R169 HydrophobicContact CG-CG 4.01Å; D167-R169 IonicContact OD1-NH2 3.5Å; D167-R169 IonicContact OD2-CZ 3.51Å; D167-R169 VanDerWaalsContact OD2-CZ 3.27Å; D167-R169 IonicContact OD2-NE 3.47Å; D167-R169 PolarHBondContact OD2-NE 3.23Å; D167-R169 IonicContact OD2-NH2 2.67Å; D167-R169 PolarHBondContact OD2-NH2 3.46Å
170G78.5Confident77.2Confident0 Ų054 Ų540%027%0.265CS..EExtended strand (participates in β ladder)trans-168140.717500000111.4N36 F155N36-G170 CarbonylContact O-C 3.54Å; N36-G170 WeakPolarHBondContact O-CA 3.14Å; F155-G170 PolarHBondContact N-O 2.89Å; F155-G170 PolarHBondContact O-N 3.23Å
171Y80.7Confident76.7Confident101 Ų10157.2 Ų57.240%0.39629%0.288SS..EExtended strand (participates in β ladder)trans-89.8126.2172.3-76.2-87.1000109.7P35 N36 N37 L38 G153 L154P35-Y171 HydrophobicContact CB-CD2 4.18Å; P35-Y171 HydrophobicContact CB-CE2 4.45Å; P35-Y171 HydrophobicContact CG-CD2 4.15Å; P35-Y171 HydrophobicContact CG-CE2 4.04Å; N36-Y171 PolarHBondContact O-N 2.82Å; N37-Y171 WeakPolarHBondContact OD1-CB 3.28Å; N37-Y171 WeakPolarHBondContact OD1-CD2 3.43Å; L38-Y171 PolarHBondContact N-O 2.97Å; G153-Y171 WeakPolarHBondContact O-CA 3.41Å; L154-Y171 HydrophobicContact CB-CD1 3.96Å; L154-Y171 HydrophobicContact CB-CE1 3.69Å; L154-Y171 HydrophobicContact CD1-CD1 4.19Å; L154-Y171 HydrophobicContact CD1-CD2 3.88Å; L154-Y171 HydrophobicContact CD1-CE1 4.08Å; L154-Y171 HydrophobicContact CD1-CE2 3.73Å; L154-Y171 HydrophobicContact CD1-CG 4.1Å; L154-Y171 HydrophobicContact CG-CE1 4.36Å
172L81.4Confident76.2Confident0 Ų056.5 Ų56.50%028%0.283CS..EExtended strand (participates in β ladder)trans-99.2111170176.154.8000109.2V40 L46 L144 L147 N152 G153 F155 I174V40-L172 HydrophobicContact CB-CD1 4.08Å; V40-L172 HydrophobicContact CG2-CD1 3.5Å; V40-L172 VanDerWaalsContact CG2-CD1 3.5Å; L46-L172 HydrophobicContact CD2-CD1 3.4Å; L46-L172 HydrophobicContact CD2-CD2 3.4Å; L46-L172 HydrophobicContact CD2-CG 3.96Å; L144-L172 HydrophobicContact CD1-CD2 4.06Å; L147-L172 HydrophobicContact CD1-CD1 4.27Å; L147-L172 HydrophobicContact CD1-CD2 4.25Å; L147-L172 HydrophobicContact CD2-CD2 4.06Å; N152-L172 WeakPolarHBondContact CA-O 3.33Å; G153-L172 PolarHBondContact N-O 3.09Å; G153-L172 PolarHBondContact O-N 3.06Å; F155-L172 HydrophobicContact CD2-CB 3.77Å; F155-L172 HydrophobicContact CD2-CD2 4.33Å; F155-L172 HydrophobicContact CE2-CB 3.73Å; F155-L172 HydrophobicContact CE2-CD2 3.6Å; F155-L172 HydrophobicContact CE2-CG 4.27Å; F155-L172 HydrophobicContact CZ-CD2 4.21Å; L172-I174 HydrophobicContact CD1-CG1 4.14Å; L172-I174 HydrophobicContact CD2-CD1 3.86Å; L172-I174 HydrophobicContact CD2-CG1 3.98Å; L172-I174 HydrophobicContact CG-CD1 4.17Å; L172-I174 HydrophobicContact CG-CG1 3.74Å
173N81.3Confident76.1Confident55 Ų5556.6 Ų56.629%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-96.9100.1172.1-69.1-31.9000109.6L38 S39 V40 N152 L175L38-N173 PolarHBondContact O-N 3.44Å; S39-N173 CarbonylContact C-O 3.36Å; S39-N173 VanDerWaalsContact CA-O 3.28Å; S39-N173 WeakPolarHBondContact CA-O 3.49Å; V40-N173 PolarHBondContact N-O 2.75Å; N152-N173 VanDerWaalsContact OD1-CA 3.24Å; N152-N173 WeakPolarHBondContact OD1-CA 3.48Å; N173-L175 HydrophobicContact CB-CD2 4.45Å; N173-L175 PolarHBondContact O-N 3.31Å
174I81.6Confident76.7Confident0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-81.8109.7178.5-59.9-176.3000109.4V40 I42 L147 Q148 M151 N152 L172 N226 F261V40-I174 CarbonylContact O-C 3.19Å; V40-I174 VanDerWaalsContact O-CA 3.31Å; V40-I174 WeakPolarHBondContact O-CA 3.14Å; I42-I174 HydrophobicContact CB-CG2 4Å; I42-I174 HydrophobicContact CG1-CG2 4.14Å; L147-I174 HydrophobicContact CB-CD1 3.98Å; L147-I174 HydrophobicContact CB-CG2 4.43Å; L147-I174 HydrophobicContact CD1-CD1 4.17Å; L147-I174 HydrophobicContact CD1-CG1 4.2Å; L147-I174 HydrophobicContact CD2-CD1 4.03Å; L147-I174 HydrophobicContact CG-CD1 4.31Å; Q148-I174 WeakPolarHBondContact O-CD1 3.43Å; M151-I174 HydrophobicContact CB-CD1 3.47Å; M151-I174 VanDerWaalsContact CB-CD1 3.47Å; M151-I174 HydrophobicContact CG-CD1 3.71Å; N152-I174 HydrophobicContact CB-CB 4.32Å; N152-I174 PolarHBondContact OD1-N 2.64Å; L172-I174 HydrophobicContact CD1-CG1 4.14Å; L172-I174 HydrophobicContact CD2-CD1 3.86Å; L172-I174 HydrophobicContact CD2-CG1 3.98Å; L172-I174 HydrophobicContact CG-CD1 4.17Å; L172-I174 HydrophobicContact CG-CG1 3.74Å; I174-N226 WeakPolarHBondContact O-CB 3.03Å; I174-N226 PolarHBondContact O-ND2 3.37Å; I174-F261 HydrophobicContact CB-CZ 4.27Å; I174-F261 WeakPolarHBondContact O-CZ 3.23Å
175L81.8Confident77Confident28 Ų2850.1 Ų50.115%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-86.5120.2-176.8-48-179.6000108.9V40 P41 I42 N173 N226 M290V40-L175 PolarHBondContact O-N 3.11Å; P41-L175 CarbonylContact C-O 3.56Å; P41-L175 WeakPolarHBondContact CA-O 3.35Å; I42-L175 PolarHBondContact N-O 2.75Å; N173-L175 HydrophobicContact CB-CD2 4.45Å; N173-L175 PolarHBondContact O-N 3.31Å; L175-N226 CarbonylContact C-O 3.57Å; L175-N226 VanDerWaalsContact CA-O 3.3Å; L175-N226 WeakPolarHBondContact CA-O 3.22Å; L175-M290 HydrophobicContact CB-CE 4.49Å; L175-M290 HydrophobicContact CB-CG 3.38Å; L175-M290 HydrophobicContact CB-SD 3.49Å; L175-M290 WeakPolarHBondContact CB-SD 3.32Å; L175-M290 HydrophobicContact CD1-CE 4.29Å; L175-M290 HydrophobicContact CD1-SD 4.28Å
176A81.1Confident76.9Confident2 Ų249.3 Ų49.32%0.01723%0.233CC..BIsolated β-bridgetrans-124.6138.7178.900000111.4I42 N226 F261 N288I42-A176 HydrophobicContact CB-CB 3.97Å; I42-A176 HydrophobicContact CD1-CB 3.8Å; I42-A176 HydrophobicContact CG1-CB 4.39Å; I42-A176 HydrophobicContact CG2-CB 3.99Å; A176-N226 PolarHBondContact N-O 2.79Å; A176-N226 PolarHBondContact O-N 3.39Å; A176-N226 VanDerWaalsContact O-O 3.05Å; A176-F261 HydrophobicContact CB-CD1 4.01Å; A176-F261 HydrophobicContact CB-CE1 3.62Å; A176-N288 PolarHBondContact O-ND2 3.36Å
177P82.3Confident76.9Confident46 Ų4646.5 Ų46.530%0.29922%0.222SC..PPolyproline II helixtrans-64.2154.4171.831.1-35.3000109.9Q179 M290P177-Q179 PolarHBondContact O-N 2.97Å; P177-M290 HydrophobicContact CB-CB 4.18Å
178P82.6Confident76.7Confident4 Ų446.2 Ų46.23%0.02622%0.22CC..PPolyproline II helixtrans-60.2135.7171.9-21.236000110.1I222 A225 P229 A286 A293P178-I222 HydrophobicContact CB-CG2 3.76Å; P178-A225 HydrophobicContact CB-CB 4.01Å; P178-A225 HydrophobicContact CG-CB 3.86Å; P178-P229 HydrophobicContact CG-CB 3.81Å; P178-P229 HydrophobicContact CG-CG 4.36Å; P178-A286 HydrophobicContact CB-CB 4.14Å; P178-A286 HydrophobicContact CG-CB 4.19Å; P178-A293 HydrophobicContact CB-CB 4Å
179Q77.6Confident76.2Confident91 Ų9144 Ų4443%0.42521%0.213SC..EExtended strand (participates in β ladder)trans-88.4141.3179.2-73.5-176.7-2.600111.8P177 T223 H224P177-Q179 PolarHBondContact O-N 2.97Å; Q179-T223 PolarHBondContact N-O 3.45Å; Q179-H224 HydrophobicContact CB-CB 3.98Å; Q179-H224 VanDerWaalsContact CD-CB 3.46Å; Q179-H224 HydrophobicContact CG-CB 3.68Å; Q179-H224 VanDerWaalsContact OE1-CG 3.29Å; Q179-H224 PolarHBondContact OE1-ND1 2.83Å
180Y68.7Low75.7Confident135 Ų13539.8 Ų39.853%0.52920%0.197SC..EExtended strand (participates in β ladder)trans-76.2157.2171.6-74.8-98.8000111.5A293 S294Y180-A293 HydrophobicContact CD1-CB 4.4Å; Y180-A293 HydrophobicContact CD2-CB 3.84Å; Y180-A293 HydrophobicContact CE1-CB 4.32Å; Y180-A293 HydrophobicContact CE2-CB 3.72Å; Y180-A293 HydrophobicContact CG-CB 4.19Å; Y180-A293 VanDerWaalsContact CZ-CA 3.48Å; Y180-S294 WeakPolarHBondContact CD1-O 3.43Å; Y180-S294 WeakPolarHBondContact CE1-O 3.4Å; Y180-S294 WeakPolarHBondContact CE1-OG 3.35Å; Y180-S294 PolarHBondContact OH-N 2.67Å; Y180-S294 PolarHBondContact OH-OG 2.88Å
181P60.9Low75.1Confident102 Ų10239.8 Ų39.866%0.66220%0.197SC*.EExtended strand (participates in β ladder)cis-72.3146.7-7.530.9-34.5000111.5
182L65.7Low74.3Confident4 Ų435.2 Ų35.22%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-83.1132.9152-54.3-173.1000107.2L221 I222 A286 A293 S295L182-L221 WeakPolarHBondContact CA-O 3.36Å; L182-L221 WeakPolarHBondContact CD2-O 3.1Å; L182-I222 HydrophobicContact CD2-CB 4.08Å; L182-I222 HydrophobicContact CD2-CG1 3.99Å; L182-I222 HydrophobicContact CD2-CG2 3.85Å; L182-A286 HydrophobicContact CD1-CB 3.54Å; L182-A286 HydrophobicContact CD2-CB 4.09Å; L182-A286 HydrophobicContact CG-CB 4.48Å; L182-A293 VanDerWaalsContact CD1-C 3.45Å; L182-A293 HydrophobicContact CD1-CB 3.85Å; L182-A293 WeakPolarHBondContact CD1-O 3.38Å; L182-A293 HydrophobicContact CD2-CB 3.81Å; L182-A293 HydrophobicContact CG-CB 3.67Å; L182-S295 VanDerWaalsContact O-CA 3.23Å; L182-S295 WeakPolarHBondContact O-CA 3.41Å; L182-S295 VanDerWaalsContact O-CB 3.25Å; L182-S295 WeakPolarHBondContact O-CB 3.39Å
183E71.8Confident73.3Confident76 Ų7636.7 Ų36.736%0.35519%0.189SC..EExtended strand (participates in β ladder)trans-108.9132.5177-169.4166.4-16700109.8V185 C220 L221E183-V185 HydrophobicContact CB-CG2 4.24Å; E183-V185 HydrophobicContact CG-CG2 4.38Å; E183-V185 PolarHBondContact O-N 3.33Å; E183-C220 CarbonylContact O-C 3.45Å; E183-C220 WeakPolarHBondContact O-CA 3.16Å; E183-L221 HydrophobicContact CB-CB 4.45Å; E183-L221 PolarHBondContact N-O 2.89Å; E183-L221 PolarHBondContact O-N 2.89Å
184I75.9Confident71.8Confident28 Ų2834 Ų3414%0.14418%0.175CC..EExtended strand (participates in β ladder)trans-74.985161.5-60.3178.2000105.4R186 I187 W233 S295 E296 V298I184-R186 PolarHBondContact O-N 2.95Å; I184-I187 HydrophobicContact CG2-CD1 3.67Å; I184-I187 HydrophobicContact CG2-CG1 3.54Å; I184-W233 HydrophobicContact CB-CH2 4.48Å; I184-W233 HydrophobicContact CD1-CZ3 3.93Å; I184-W233 HydrophobicContact CG1-CH2 4Å; I184-W233 HydrophobicContact CG1-CZ3 3.84Å; I184-W233 HydrophobicContact CG2-CH2 4.11Å; I184-W233 HydrophobicContact CG2-CZ3 4.23Å; I184-S295 WeakPolarHBondContact CG1-OG 3.22Å; I184-E296 WeakPolarHBondContact CD1-O 3.49Å; I184-V298 HydrophobicContact CD1-CG1 4.13Å; I184-V298 HydrophobicContact CD1-CG2 3.67Å
185V72.8Confident70.2Confident16 Ų1636.2 Ų36.210%0.09719%0.188CC..EExtended strand (participates in β ladder)trans-63.4-34.6-178.1-178.90000110.2E183 Y200 S219 L221E183-V185 HydrophobicContact CB-CG2 4.24Å; E183-V185 HydrophobicContact CG-CG2 4.38Å; E183-V185 PolarHBondContact O-N 3.33Å; V185-Y200 HydrophobicContact CG1-CD1 3.41Å; V185-Y200 VanDerWaalsContact CG1-CD1 3.41Å; V185-Y200 HydrophobicContact CG1-CD2 4.36Å; V185-Y200 HydrophobicContact CG1-CE1 4.13Å; V185-Y200 HydrophobicContact CG1-CG 3.55Å; V185-S219 PolarHBondContact N-O 2.84Å; V185-L221 HydrophobicContact CG2-CB 3.52Å
186R72.4Confident68.4Low38 Ų3840 Ų4014%0.14321%0.206CC..EExtended strand (participates in β ladder)trans-154.8137.1-175.7-158.6147.5176.9-144.921.9114.7I184 D188 T190 S219 D691I184-R186 PolarHBondContact O-N 2.95Å; R186-D188 HydrophobicContact CG-CB 3.96Å; R186-D188 IonicContact CZ-OD2 3.79Å; R186-D188 IonicContact NE-OD2 3.72Å; R186-D188 PolarHBondContact NE-OD2 3.09Å; R186-D188 IonicContact NH2-OD2 2.85Å; R186-D188 PolarHBondContact NH2-OD2 2.94Å; R186-T190 VanDerWaalsContact CZ-O 3.26Å; R186-T190 PolarHBondContact NH1-O 2.88Å; R186-S219 PolarHBondContact N-O 2.89Å; R186-S219 PolarHBondContact O-N 3.13Å; R186-D691 WeakPolarHBondContact CD-OD1 3.08Å; R186-D691 IonicContact CZ-OD1 2.77Å; R186-D691 IonicContact NE-OD1 2.78Å; R186-D691 IonicContact NH1-OD1 2.69Å; R186-D691 PolarHBondContact NH1-OD1 3.13Å
187I78.6Confident66.7Low3 Ų344.8 Ų44.82%0.01523%0.23CC..  trans-14077.3156.2-45.5178.4000105.3I184 F208 Y216 F218 L282 V298 N690I184-I187 HydrophobicContact CG2-CD1 3.67Å; I184-I187 HydrophobicContact CG2-CG1 3.54Å; I187-F208 HydrophobicContact CB-CD1 3.85Å; I187-F208 HydrophobicContact CB-CD2 4.26Å; I187-F208 HydrophobicContact CB-CE1 3.77Å; I187-F208 HydrophobicContact CB-CE2 4.18Å; I187-F208 HydrophobicContact CB-CG 4.09Å; I187-F208 HydrophobicContact CB-CZ 3.93Å; I187-F208 HydrophobicContact CD1-CD2 3.86Å; I187-F208 HydrophobicContact CD1-CE2 3.8Å; I187-F208 HydrophobicContact CD1-CG 4.44Å; I187-F208 HydrophobicContact CD1-CZ 4.34Å; I187-F208 HydrophobicContact CG1-CE2 4.22Å; I187-F208 HydrophobicContact CG1-CZ 4.25Å; I187-F208 HydrophobicContact CG2-CD1 4.24Å; I187-F208 HydrophobicContact CG2-CG 4.24Å; I187-F208 WeakPolarHBondContact O-CD1 3.2Å; I187-F208 WeakPolarHBondContact O-CE1 3.24Å; I187-Y216 HydrophobicContact CG2-CD1 3.57Å; I187-Y216 HydrophobicContact CG2-CE1 3.98Å; I187-F218 HydrophobicContact CB-CD1 4.43Å; I187-F218 HydrophobicContact CD1-CD1 3.75Å; I187-F218 HydrophobicContact CD1-CE1 4.14Å; I187-F218 HydrophobicContact CG1-CD1 3.84Å; I187-F218 HydrophobicContact CG1-CE1 4.47Å; I187-F218 HydrophobicContact CG2-CD1 3.77Å; I187-F218 HydrophobicContact CG2-CE1 3.7Å; I187-L282 HydrophobicContact CD1-CD2 3.72Å; I187-V298 HydrophobicContact CD1-CG2 3.68Å; I187-N690 HydrophobicContact CB-CB 4.39Å; I187-N690 HydrophobicContact CG2-CB 3.62Å; I187-N690 PolarHBondContact O-ND2 2.83Å
188D74Confident64.7Low57 Ų5750 Ų5031%0.30525%0.249SC..SBendtrans-143.4139.8179.8149.153.1000109.3R186 T190 N690 Q694R186-D188 HydrophobicContact CG-CB 3.96Å; R186-D188 IonicContact CZ-OD2 3.79Å; R186-D188 IonicContact NE-OD2 3.72Å; R186-D188 PolarHBondContact NE-OD2 3.09Å; R186-D188 IonicContact NH2-OD2 2.85Å; R186-D188 PolarHBondContact NH2-OD2 2.94Å; D188-T190 PolarHBondContact O-N 3.24Å; D188-N690 VanDerWaalsContact C-CA 3.48Å; D188-N690 VanDerWaalsContact C-CG 3.5Å; D188-N690 VanDerWaalsContact CA-ND2 3.26Å; D188-N690 WeakPolarHBondContact CA-ND2 3.38Å; D188-N690 PolarHBondContact N-ND2 2.91Å; D188-N690 VanDerWaalsContact N-ND2 3.19Å; D188-N690 PolarHBondContact N-O 3.36Å; D188-N690 CarbonylContact O-C 3.51Å; D188-N690 WeakPolarHBondContact O-CA 2.93Å; D188-Q694 PolarHBondContact OD1-NE2 2.97Å; D188-Q694 VanDerWaalsContact OD1-NE2 3.1Å; D188-Q694 PolarHBondContact OD2-NE2 2.69Å
189D69.9Low62.7Low46 Ų4656.9 Ų56.925%0.24629%0.285CS..SBendtrans-63.923.8-149.497.5-30.9000118.7L689 N690 L692 N693D189-L689 VanDerWaalsContact C-C 3.49Å; D189-L689 CarbonylContact C-O 3.52Å; D189-L689 VanDerWaalsContact CA-O 3.27Å; D189-L689 WeakPolarHBondContact CA-O 2.98Å; D189-L689 CarbonylContact O-C 3.5Å; D189-N690 WeakPolarHBondContact CA-OD1 2.99Å; D189-N690 WeakPolarHBondContact CB-OD1 3.19Å; D189-N690 PolarHBondContact N-OD1 2.95Å; D189-L692 CarbonylContact O-C 2.71Å; D189-L692 PolarHBondContact O-N 2.7Å; D189-N693 WeakPolarHBondContact O-CA 3.21Å; D189-N693 WeakPolarHBondContact O-CB 3.44Å; D189-N693 VanDerWaalsContact O-CG 3.3Å; D189-N693 PolarHBondContact O-N 3.14Å; D189-N693 PolarHBondContact O-ND2 2.85Å; D189-N693 WeakPolarHBondContact OD1-CB 3.24Å; D189-N693 PolarHBondContact OD2-ND2 2.85Å
190T70.8Confident61.5Low3 Ų357.6 Ų57.62%0.01829%0.285CS..SBendtrans-144.9129-143-65.70000117.9R186 D188 L689 D691 L692 N693 Q694R186-T190 VanDerWaalsContact CZ-O 3.26Å; R186-T190 PolarHBondContact NH1-O 2.88Å; D188-T190 PolarHBondContact O-N 3.24Å; T190-L689 PolarHBondContact N-O 2.78Å; T190-D691 CarbonylContact O-C 3.57Å; T190-D691 WeakPolarHBondContact O-CA 3.39Å; T190-D691 WeakPolarHBondContact O-CB 3.2Å; T190-L692 VanDerWaalsContact C-CA 3.47Å; T190-L692 VanDerWaalsContact N-N 3.14Å; T190-N693 VanDerWaalsContact CA-N 3.26Å; T190-Q694 HydrophobicContact CG2-CB 3.37Å; T190-Q694 HydrophobicContact CG2-CG 3.8Å; T190-Q694 VanDerWaalsContact CG2-N 3.33Å; T190-Q694 WeakPolarHBondContact OG1-CG 3.43Å; T190-Q694 PolarHBondContact OG1-N 2.92Å; T190-Q694 PolarHBondContact OG1-NE2 2.79Å
191M66Low60.4Low1 Ų155.6 Ų55.61%0.00529%0.291CS..PPolyproline II helixtrans-65.8148.4-169-129.7-173.280.800113.5Y253 D691 L692 I695 K746M191-Y253 HydrophobicContact CE-CD1 3.58Å; M191-Y253 HydrophobicContact CE-CE1 4.28Å; M191-Y253 HydrophobicContact CG-CD1 4.47Å; M191-Y253 HydrophobicContact CG-CE1 4.34Å; M191-Y253 HydrophobicContact SD-CD1 3.34Å; M191-Y253 WeakPolarHBondContact SD-CD1 3.29Å; M191-Y253 HydrophobicContact SD-CE1 3.25Å; M191-Y253 WeakPolarHBondContact SD-CE1 3.33Å; M191-D691 VanDerWaalsContact CA-O 3.25Å; M191-D691 WeakPolarHBondContact CA-O 3.36Å; M191-D691 WeakPolarHBondContact CG-O 3.35Å; M191-D691 VanDerWaalsContact N-C 3.3Å; M191-L692 HydrophobicContact CB-CD2 3.88Å; M191-L692 HydrophobicContact CB-CG 4.33Å; M191-L692 HydrophobicContact CG-CB 4.46Å; M191-L692 HydrophobicContact CG-CD2 3.55Å; M191-L692 HydrophobicContact CG-CG 3.79Å; M191-L692 PolarHBondContact N-O 2.95Å; M191-L692 HydrophobicContact SD-CD2 3.52Å; M191-L692 VanDerWaalsContact SD-CD2 3.52Å; M191-L692 HydrophobicContact SD-CG 4.21Å; M191-I695 HydrophobicContact CB-CD1 3.35Å; M191-I695 HydrophobicContact CB-CG1 3.76Å; M191-I695 HydrophobicContact CE-CD1 3.76Å; M191-I695 HydrophobicContact CG-CD1 4.24Å; M191-I695 HydrophobicContact SD-CD1 3.92Å; M191-K746 PolarHBondContact O-NZ 3Å
192P63.8Low59.6Low5 Ų556.5 Ų56.53%0.03229%0.29CS..PPolyproline II helixtrans-68.3165.1165.5-2.125.5000107.7T267 D691 K746P192-T267 HydrophobicContact CG-CG2 3.83Å; P192-D691 HydrophobicContact CG-CB 4.03Å; P192-K746 VanDerWaalsContact C-CE 3.45Å; P192-K746 VanDerWaalsContact O-CE 3.29Å; P192-K746 WeakPolarHBondContact O-CE 3.28Å
193P59.4Low58.7Low30 Ų3061.3 Ų61.320%0.19532%0.319CS..PPolyproline II helixtrans-54.7161.7158-21.334.4000113.9T195 K746P193-T195 HydrophobicContact CB-CG2 3.87Å; P193-T195 WeakPolarHBondContact CB-OG1 3.41Å; P193-T195 WeakPolarHBondContact CG-OG1 2.96Å; P193-K746 HydrophobicContact CB-CG 4.17Å
194D50.5Low57.5Low0 Ų063.6 Ų63.60%033%0.333CS..SBend-90.692100.5-0.2-20.2000116.8S254 K255 K746 L747 D749 E750 F751D194-S254 WeakPolarHBondContact OD2-CA 3.4Å; D194-K255 IonicContact OD2-NZ 3.93Å; D194-K255 PolarHBondContact OD2-NZ 3.1Å; D194-K746 CarbonylContact C-O 3.57Å; D194-K746 VanDerWaalsContact CA-O 3.31Å; D194-K746 WeakPolarHBondContact CA-O 3.21Å; D194-K746 PolarHBondContact N-O 2.69Å; D194-K746 CarbonylContact O-C 3.56Å; D194-K746 VanDerWaalsContact O-C 3.24Å; D194-L747 WeakPolarHBondContact CB-O 3.39Å; D194-L747 CarbonylContact O-C 3.58Å; D194-L747 WeakPolarHBondContact OD1-CD2 3.43Å; D194-L747 VanDerWaalsContact OD2-CA 3.27Å; D194-L747 WeakPolarHBondContact OD2-CA 3.36Å; D194-L747 WeakPolarHBondContact OD2-CB 3.18Å; D194-L747 VanDerWaalsContact OD2-CD2 3.24Å; D194-L747 WeakPolarHBondContact OD2-CD2 3.45Å; D194-D749 PolarHBondContact O-N 3.43Å; D194-E750 VanDerWaalsContact CA-OE1 3.26Å; D194-E750 WeakPolarHBondContact CA-OE1 3.47Å; D194-E750 HydrophobicContact CB-CB 3.53Å; D194-E750 HydrophobicContact CB-CG 4.31Å; D194-E750 PolarHBondContact O-N 2.98Å; D194-F751 HydrophobicContact CB-CD2 3.69Å; D194-F751 HydrophobicContact CB-CE2 3.27Å; D194-F751 HydrophobicContact CB-CZ 4.13Å; D194-F751 VanDerWaalsContact CG-CE2 3.49Å; D194-F751 VanDerWaalsContact OD2-CD2 3.31Å; D194-F751 WeakPolarHBondContact OD2-CD2 3.37Å; D194-F751 WeakPolarHBondContact OD2-CE2 3.18Å
195T46.8Very low56.6Low45 Ų4563.7 Ų63.728%0.27634%0.342SS..  trans-12316.8-160.2112.10000125.2P193 K746 D749 E750P193-T195 HydrophobicContact CB-CG2 3.87Å; P193-T195 WeakPolarHBondContact CB-OG1 3.41Å; P193-T195 WeakPolarHBondContact CG-OG1 2.96Å; T195-K746 HydrophobicContact CG2-CB 4Å; T195-K746 HydrophobicContact CG2-CG 3.82Å; T195-D749 HydrophobicContact CG2-CB 3.69Å; T195-E750 VanDerWaalsContact N-CB 3.29Å; T195-E750 PolarHBondContact N-OE1 2.74Å
196E45.1Very low56.1Low108 Ų10869.7 Ų69.751%0.50536%0.363SS..  trans45.2174.1-149.3-126-151134.900116.9F198 D749 E750E196-F198 HydrophobicContact CB-CD2 3.86Å; E196-F198 HydrophobicContact CB-CE2 3.95Å; E196-F198 PolarHBondContact O-N 2.88Å; E196-D749 WeakPolarHBondContact CB-O 3.14Å; E196-D749 VanDerWaalsContact N-C 3.28Å; E196-D749 PolarHBondContact N-O 3.15Å; E196-E750 VanDerWaalsContact N-CG 3.26Å; E196-E750 VanDerWaalsContact N-N 3.14Å
197L44.1Very low56Low102 Ų10273 Ų7353%0.53439%0.387SS..SBendtrans-76.768.2177.8-10487.4000111.7
198F40.6Very low55.9Low156 Ų15674.3 Ų74.368%0.68439%0.392SS*.  trans-108.798.4173.4-77.1-78.8000112.1E196E196-F198 HydrophobicContact CB-CD2 3.86Å; E196-F198 HydrophobicContact CB-CE2 3.95Å; E196-F198 PolarHBondContact O-N 2.88Å
199N42.2Very low56Low148 Ų14876.1 Ų76.179%0.79141%0.406SS*.  trans2791.4157.6-62.3-9.9000116.6S201N199-S201 PolarHBondContact O-N 3.33Å
200Y52.1Low56.6Low106 Ų10674 Ų7442%0.41639%0.394SS..  trans-58.7110.7156.1-74-87.3000108.6V185V185-Y200 HydrophobicContact CG1-CD1 3.41Å; V185-Y200 VanDerWaalsContact CG1-CD1 3.41Å; V185-Y200 HydrophobicContact CG1-CD2 4.36Å; V185-Y200 HydrophobicContact CG1-CE1 4.13Å; V185-Y200 HydrophobicContact CG1-CG 3.55Å
201S45.2Very low57.1Low94 Ų9475 Ų7566%0.65740%0.4SS*.  trans-78.7130.517743.70000110.4N199 T203N199-S201 PolarHBondContact O-N 3.33Å; S201-T203 PolarHBondContact O-N 2.82Å; S201-T203 PolarHBondContact O-OG1 3.42Å
202N44.6Very low57.7Low121 Ų12177 Ų7765%0.64741%0.413SS*.  trans-50.696.4-176.6-63.451.3000113.3L204N202-L204 HydrophobicContact CB-CD1 3.8Å
203T45.9Very low58.3Low104 Ų10478.9 Ų78.964%0.63843%0.434SS*.  trans-101.174.4173.335.20000109.8S201 G205S201-T203 PolarHBondContact O-N 2.82Å; S201-T203 PolarHBondContact O-OG1 3.42Å; T203-G205 VanDerWaalsContact C-N 3.27Å; T203-G205 PolarHBondContact O-N 2.93Å
204L47.5Very low59.2Low124 Ų12477.9 Ų77.965%0.64943%0.426SS*.  trans-64.378.6179.6-91.271.3000112.7N202N202-L204 HydrophobicContact CB-CD1 3.8Å
205G55.3Low60.7Low31 Ų3178.3 Ų78.332%0.3243%0.429SS..  trans-79.6123.6153.700000109.5T203 F208T203-G205 VanDerWaalsContact C-N 3.27Å; T203-G205 PolarHBondContact O-N 2.93Å; G205-F208 WeakPolarHBondContact O-CE2 3.12Å; G205-F208 WeakPolarHBondContact O-CZ 3.28Å
206R63.7Low62.4Low142 Ų14276.3 Ų76.354%0.53642%0.416SS..SBendtrans-108.7-9.6171.3-82.8-174.3165.3175-4.4113.8E296 N299R206-E296 IonicContact CZ-OE2 2.7Å; R206-E296 IonicContact NE-OE2 3.14Å; R206-E296 IonicContact NH2-OE1 2.64Å; R206-E296 IonicContact NH2-OE2 3.38Å; R206-E296 PolarHBondContact NH2-OE2 2.89Å; R206-N299 PolarHBondContact O-N 3.29Å
207T69.7Low64.2Low106 Ų10671.3 Ų71.365%0.6539%0.392SS*.EExtended strand (participates in β ladder)trans-134.3119.3175.445.10000107.4N299T207-N299 CarbonylContact C-O 3.56Å; T207-N299 WeakPolarHBondContact CA-O 3.34Å; T207-N299 HydrophobicContact CG2-CB 3.9Å
208F75.6Confident66.1Low31 Ų3166.4 Ų66.414%0.13637%0.367CS..EExtended strand (participates in β ladder)trans-109.6123.3178.8-64.4-79.9000109I187 G205 I210 V298 N299 L300 N301I187-F208 HydrophobicContact CB-CD1 3.85Å; I187-F208 HydrophobicContact CB-CD2 4.26Å; I187-F208 HydrophobicContact CB-CE1 3.77Å; I187-F208 HydrophobicContact CB-CE2 4.18Å; I187-F208 HydrophobicContact CB-CG 4.09Å; I187-F208 HydrophobicContact CB-CZ 3.93Å; I187-F208 HydrophobicContact CD1-CD2 3.86Å; I187-F208 HydrophobicContact CD1-CE2 3.8Å; I187-F208 HydrophobicContact CD1-CG 4.44Å; I187-F208 HydrophobicContact CD1-CZ 4.34Å; I187-F208 HydrophobicContact CG1-CE2 4.22Å; I187-F208 HydrophobicContact CG1-CZ 4.25Å; I187-F208 HydrophobicContact CG2-CD1 4.24Å; I187-F208 HydrophobicContact CG2-CG 4.24Å; I187-F208 WeakPolarHBondContact O-CD1 3.2Å; I187-F208 WeakPolarHBondContact O-CE1 3.24Å; G205-F208 WeakPolarHBondContact O-CE2 3.12Å; G205-F208 WeakPolarHBondContact O-CZ 3.28Å; F208-I210 HydrophobicContact CB-CG1 4.37Å; F208-V298 HydrophobicContact CD2-CB 4.1Å; F208-V298 HydrophobicContact CD2-CG2 3.89Å; F208-V298 HydrophobicContact CE2-CB 3.81Å; F208-V298 HydrophobicContact CE2-CG1 4.17Å; F208-V298 HydrophobicContact CE2-CG2 3.71Å; F208-N299 PolarHBondContact N-O 3.49Å; F208-L300 HydrophobicContact CB-CD2 4.4Å; F208-L300 WeakPolarHBondContact O-CA 3.34Å; F208-N301 PolarHBondContact O-N 3.35Å
209T77.9Confident68Low96 Ų9659 Ų5959%0.58934%0.335SS*.EExtended strand (participates in β ladder)trans-79.3136.6168.250.40000109Y216 N301T209-Y216 PolarHBondContact O-OH 3.06Å; T209-N301 CarbonylContact C-O 3.48Å; T209-N301 HydrophobicContact CG2-CB 4.33Å
210I82.2Confident70Confident0 Ų052 Ų520%030%0.297CS..EExtended strand (participates in β ladder)trans-141.8153.8-164-60.5-147.8000107.9F208 Y216 L273 L300 N301 I302 E303F208-I210 HydrophobicContact CB-CG1 4.37Å; I210-Y216 VanDerWaalsContact CA-OH 3.25Å; I210-Y216 WeakPolarHBondContact CA-OH 3.5Å; I210-Y216 HydrophobicContact CB-CE1 4.41Å; I210-Y216 HydrophobicContact CB-CE2 3.86Å; I210-Y216 HydrophobicContact CD1-CD1 3.6Å; I210-Y216 HydrophobicContact CD1-CD2 4.12Å; I210-Y216 HydrophobicContact CD1-CE1 3.32Å; I210-Y216 HydrophobicContact CD1-CE2 3.87Å; I210-Y216 HydrophobicContact CD1-CG 4.1Å; I210-Y216 HydrophobicContact CG1-CD1 4.28Å; I210-Y216 HydrophobicContact CG1-CE1 3.5Å; I210-Y216 VanDerWaalsContact CG1-CE1 3.5Å; I210-Y216 HydrophobicContact CG1-CE2 3.83Å; I210-Y216 HydrophobicContact CG2-CD2 4.08Å; I210-Y216 HydrophobicContact CG2-CE2 3.51Å; I210-L273 HydrophobicContact CD1-CD1 3.6Å; I210-L273 HydrophobicContact CG2-CB 4.19Å; I210-L273 HydrophobicContact CG2-CD1 4.08Å; I210-L300 HydrophobicContact CD1-CB 4.21Å; I210-L300 HydrophobicContact CD1-CD1 4.29Å; I210-L300 HydrophobicContact CD1-CD2 3.8Å; I210-L300 HydrophobicContact CD1-CG 4.32Å; I210-N301 WeakPolarHBondContact CA-O 3.13Å; I210-N301 VanDerWaalsContact CB-O 3.31Å; I210-N301 WeakPolarHBondContact CB-O 3.38Å; I210-N301 PolarHBondContact N-O 3.47Å; I210-I302 HydrophobicContact CB-CG1 3.93Å; I210-I302 HydrophobicContact CG2-CB 4.34Å; I210-I302 HydrophobicContact CG2-CD1 4.09Å; I210-I302 HydrophobicContact CG2-CG1 3.76Å; I210-I302 HydrophobicContact CG2-CG2 4.09Å; I210-I302 CarbonylContact O-C 3.48Å; I210-I302 WeakPolarHBondContact O-CA 3.34Å; I210-E303 PolarHBondContact O-N 2.84Å
211I81.8Confident71.4Confident26 Ų2649 Ų4913%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-122.8132.8174.5-54.3-177.6000107.3G213 K214 E303 I375 H684 N688I211-G213 PolarHBondContact O-N 2.86Å; I211-K214 HydrophobicContact CB-CB 3.73Å; I211-K214 HydrophobicContact CB-CD 3.88Å; I211-K214 HydrophobicContact CB-CG 4.31Å; I211-K214 HydrophobicContact CD1-CD 3.9Å; I211-K214 HydrophobicContact CG1-CD 4.24Å; I211-K214 HydrophobicContact CG2-CB 4.15Å; I211-K214 HydrophobicContact CG2-CD 4.37Å; I211-K214 WeakPolarHBondContact O-CA 3.36Å; I211-K214 WeakPolarHBondContact O-CB 3.45Å; I211-K214 PolarHBondContact O-N 2.93Å; I211-E303 CarbonylContact C-O 3.58Å; I211-E303 VanDerWaalsContact CA-O 3.29Å; I211-E303 WeakPolarHBondContact CA-O 3.08Å; I211-E303 HydrophobicContact CG1-CB 4.26Å; I211-E303 WeakPolarHBondContact CG2-O 3.13Å; I211-I375 HydrophobicContact CG2-CG2 4.2Å; I211-H684 VanDerWaalsContact CD1-NE2 3.34Å; I211-H684 WeakPolarHBondContact CD1-NE2 3.21Å; I211-N688 PolarHBondContact N-ND2 2.94Å
212S77.8Confident73.2Confident41 Ų4144.6 Ų44.629%0.28726%0.257SS..THydrogen-bonded Turntrans-60.4125-1741700000111.8K214 L273 T274 H275 E303S212-K214 PolarHBondContact O-N 2.92Å; S212-L273 CarbonylContact C-O 3.58Å; S212-L273 WeakPolarHBondContact CA-O 3.28Å; S212-T274 WeakPolarHBondContact OG-CA 3.27Å; S212-H275 PolarHBondContact OG-N 2.91Å; S212-E303 WeakPolarHBondContact CB-O 2.93Å; S212-E303 PolarHBondContact N-O 3.31Å
213G75.9Confident74.9Confident45 Ų4540 Ų4046%0.46423%0.233SC..THydrogen-bonded Turntrans75.3-3.6-175.600000114.4I211 D271 L273I211-G213 PolarHBondContact O-N 2.86Å; G213-D271 WeakPolarHBondContact CA-O 3.35Å; G213-L273 PolarHBondContact N-O 2.99Å
214K78.3Confident76.4Confident9 Ų938.1 Ų38.14%0.03922%0.217CC..  trans-86.2113177.4-145-164134.2-1690107.2I211 S212 Y216 H684 S685 Y686 N688I211-K214 HydrophobicContact CB-CB 3.73Å; I211-K214 HydrophobicContact CB-CD 3.88Å; I211-K214 HydrophobicContact CB-CG 4.31Å; I211-K214 HydrophobicContact CD1-CD 3.9Å; I211-K214 HydrophobicContact CG1-CD 4.24Å; I211-K214 HydrophobicContact CG2-CB 4.15Å; I211-K214 HydrophobicContact CG2-CD 4.37Å; I211-K214 WeakPolarHBondContact O-CA 3.36Å; I211-K214 WeakPolarHBondContact O-CB 3.45Å; I211-K214 PolarHBondContact O-N 2.93Å; S212-K214 PolarHBondContact O-N 2.92Å; K214-Y216 VanDerWaalsContact O-CD2 3.23Å; K214-Y216 WeakPolarHBondContact O-CD2 3.33Å; K214-H684 PolarHBondContact NZ-CD2 3.47Å; K214-H684 PolarHBondContact NZ-CE1 3.09Å; K214-H684 PolarHBondContact NZ-NE2 3.33Å; K214-S685 WeakPolarHBondContact CE-O 3.23Å; K214-S685 PolarHBondContact NZ-O 3.21Å; K214-Y686 WeakPolarHBondContact CG-O 3.3Å; K214-N688 HydrophobicContact CB-CB 3.73Å; K214-N688 HydrophobicContact CD-CB 3.54Å; K214-N688 VanDerWaalsContact CD-CG 3.47Å; K214-N688 WeakPolarHBondContact CD-ND2 3.29Å; K214-N688 VanDerWaalsContact CE-N 3.33Å; K214-N688 VanDerWaalsContact CE-OD1 3.28Å; K214-N688 WeakPolarHBondContact CE-OD1 3.2Å; K214-N688 HydrophobicContact CG-CB 3.62Å; K214-N688 PolarHBondContact NZ-OD1 3.05Å
215L83Confident78Confident9 Ų932.6 Ų32.65%0.04719%0.189CC..  trans-69.4128.4-163.9-175.2159.3000114.7T269 D271 N688 L689 I926L215-T269 HydrophobicContact CD2-CG2 3.55Å; L215-D271 HydrophobicContact CB-CB 3.73Å; L215-D271 HydrophobicContact CD1-CB 4.02Å; L215-D271 HydrophobicContact CG-CB 3.9Å; L215-N688 CarbonylContact C-O 3.52Å; L215-N688 CarbonylContact O-C 2.83Å; L215-N688 WeakPolarHBondContact O-CA 3.28Å; L215-N688 PolarHBondContact O-N 3.31Å; L215-L689 HydrophobicContact CD2-CD2 3.72Å; L215-L689 HydrophobicContact CD2-CG 4.46Å; L215-L689 WeakPolarHBondContact O-CA 2.92Å; L215-L689 PolarHBondContact O-N 2.78Å; L215-L689 VanDerWaalsContact O-N 3.08Å; L215-I926 HydrophobicContact CD1-CD1 3.75Å; L215-I926 HydrophobicContact CD1-CG1 4.37Å
216Y81.8Confident79.2Confident3 Ų331.6 Ų31.61%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-104.3151.4178.8-84.4-115.3000114I187 T209 I210 K214 F218 T269 S270 L273 N688 N690I187-Y216 HydrophobicContact CG2-CD1 3.57Å; I187-Y216 HydrophobicContact CG2-CE1 3.98Å; T209-Y216 PolarHBondContact O-OH 3.06Å; I210-Y216 VanDerWaalsContact CA-OH 3.25Å; I210-Y216 WeakPolarHBondContact CA-OH 3.5Å; I210-Y216 HydrophobicContact CB-CE1 4.41Å; I210-Y216 HydrophobicContact CB-CE2 3.86Å; I210-Y216 HydrophobicContact CD1-CD1 3.6Å; I210-Y216 HydrophobicContact CD1-CD2 4.12Å; I210-Y216 HydrophobicContact CD1-CE1 3.32Å; I210-Y216 HydrophobicContact CD1-CE2 3.87Å; I210-Y216 HydrophobicContact CD1-CG 4.1Å; I210-Y216 HydrophobicContact CG1-CD1 4.28Å; I210-Y216 HydrophobicContact CG1-CE1 3.5Å; I210-Y216 VanDerWaalsContact CG1-CE1 3.5Å; I210-Y216 HydrophobicContact CG1-CE2 3.83Å; I210-Y216 HydrophobicContact CG2-CD2 4.08Å; I210-Y216 HydrophobicContact CG2-CE2 3.51Å; K214-Y216 VanDerWaalsContact O-CD2 3.23Å; K214-Y216 WeakPolarHBondContact O-CD2 3.33Å; Y216-F218 HydrophobicContact CD1-CE1 4.12Å; Y216-F218 HydrophobicContact CD1-CZ 4.03Å; Y216-F218 HydrophobicContact CG-CE1 4.39Å; Y216-F218 HydrophobicContact CG-CE2 4.45Å; Y216-F218 AromaticContact CG-CZ 3.84Å; Y216-F218 HydrophobicContact CG-CZ 3.84Å; Y216-T269 CarbonylContact O-C 3.45Å; Y216-T269 WeakPolarHBondContact O-CA 3.4Å; Y216-T269 WeakPolarHBondContact O-CB 3.19Å; Y216-T269 VanDerWaalsContact O-CG2 3.27Å; Y216-T269 WeakPolarHBondContact O-CG2 3.46Å; Y216-S270 PolarHBondContact N-O 2.61Å; Y216-S270 PolarHBondContact O-N 2.82Å; Y216-L273 HydrophobicContact CD2-CD1 4.33Å; Y216-L273 HydrophobicContact CG-CD1 4.33Å; Y216-N688 WeakPolarHBondContact CA-O 3.39Å; Y216-N688 HydrophobicContact CD2-CB 3.81Å; Y216-N688 WeakPolarHBondContact CD2-O 3.37Å; Y216-N688 HydrophobicContact CE2-CB 3.28Å; Y216-N688 VanDerWaalsContact CE2-CG 3.44Å; Y216-N688 VanDerWaalsContact CE2-ND2 3.3Å; Y216-N688 WeakPolarHBondContact CE2-ND2 3.36Å; Y216-N688 PolarHBondContact OH-ND2 3.2Å; Y216-N690 HydrophobicContact CD1-CB 3.37Å; Y216-N690 HydrophobicContact CE1-CB 3.86Å; Y216-N690 WeakPolarHBondContact CE1-ND2 3.46Å; Y216-N690 WeakPolarHBondContact CE1-OD1 3.36Å; Y216-N690 HydrophobicContact CG-CB 4.01Å
217Y82.9Confident80.2Confident3 Ų327 Ų271%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-104.1166152.1-41.4-138.7000111.6T267 Q268 T269 L689 N690 D691 L692 L919Y217-T267 HydrophobicContact CD1-CG2 3.8Å; Y217-T267 HydrophobicContact CG-CG2 4.5Å; Y217-Q268 CarbonylContact C-O 3.24Å; Y217-Q268 WeakPolarHBondContact CA-O 3.1Å; Y217-Q268 WeakPolarHBondContact CB-O 3.4Å; Y217-T269 HydrophobicContact CD1-CG2 3.4Å; Y217-T269 HydrophobicContact CD2-CG2 3.15Å; Y217-T269 HydrophobicContact CE1-CG2 3.69Å; Y217-T269 HydrophobicContact CE2-CG2 3.4Å; Y217-T269 HydrophobicContact CG-CG2 3.11Å; Y217-L689 HydrophobicContact CD2-CB 4.11Å; Y217-L689 HydrophobicContact CD2-CD2 4.49Å; Y217-L689 HydrophobicContact CE2-CB 3.93Å; Y217-L689 HydrophobicContact CE2-CD2 3.71Å; Y217-L689 HydrophobicContact CE2-CG 4.45Å; Y217-N690 VanDerWaalsContact CB-C 3.49Å; Y217-N690 VanDerWaalsContact N-CA 3.3Å; Y217-N690 CarbonylContact O-C 3.54Å; Y217-N690 VanDerWaalsContact O-C 3.3Å; Y217-N690 WeakPolarHBondContact O-CA 3.37Å; Y217-N690 WeakPolarHBondContact O-CB 3.23Å; Y217-D691 HydrophobicContact CD1-CB 3.97Å; Y217-D691 HydrophobicContact CD2-CB 4.25Å; Y217-D691 WeakPolarHBondContact CD2-O 3.44Å; Y217-D691 WeakPolarHBondContact CE1-O 3.4Å; Y217-D691 WeakPolarHBondContact CE2-O 3.41Å; Y217-D691 HydrophobicContact CG-CB 3.73Å; Y217-L692 HydrophobicContact CE2-CB 3.74Å; Y217-L692 HydrophobicContact CE2-CD1 4.36Å; Y217-L692 HydrophobicContact CE2-CG 4.13Å; Y217-L692 WeakPolarHBondContact OH-CD1 3.28Å; Y217-L692 WeakPolarHBondContact OH-CG 3.33Å; Y217-L919 HydrophobicContact CE1-CD1 4.13Å
218F83.6Confident80.8Confident0 Ų024 Ų240%014%0.143CC..EExtended strand (participates in β ladder)trans-146.3112.6-173.6-54.3-85.8000108.1I187 Y216 W233 L245 T247 T267 Q268 L273 L282I187-F218 HydrophobicContact CB-CD1 4.43Å; I187-F218 HydrophobicContact CD1-CD1 3.75Å; I187-F218 HydrophobicContact CD1-CE1 4.14Å; I187-F218 HydrophobicContact CG1-CD1 3.84Å; I187-F218 HydrophobicContact CG1-CE1 4.47Å; I187-F218 HydrophobicContact CG2-CD1 3.77Å; I187-F218 HydrophobicContact CG2-CE1 3.7Å; Y216-F218 HydrophobicContact CD1-CE1 4.12Å; Y216-F218 HydrophobicContact CD1-CZ 4.03Å; Y216-F218 HydrophobicContact CG-CE1 4.39Å; Y216-F218 HydrophobicContact CG-CE2 4.45Å; Y216-F218 AromaticContact CG-CZ 3.84Å; Y216-F218 HydrophobicContact CG-CZ 3.84Å; F218-W233 HydrophobicContact CB-CD2 3.74Å; F218-W233 VanDerWaalsContact CB-CE2 3.41Å; F218-W233 HydrophobicContact CB-CE3 3.91Å; F218-W233 HydrophobicContact CB-CH2 3.52Å; F218-W233 HydrophobicContact CB-CZ2 3.3Å; F218-W233 HydrophobicContact CB-CZ3 3.8Å; F218-W233 HydrophobicContact CD1-CE3 4.43Å; F218-W233 HydrophobicContact CD1-CZ3 4.39Å; F218-W233 HydrophobicContact CG-CD2 4.36Å; F218-W233 HydrophobicContact CG-CE3 4.35Å; F218-W233 HydrophobicContact CG-CZ3 4.46Å; F218-W233 WeakPolarHBondContact O-CZ2 3.18Å; F218-L245 HydrophobicContact CE1-CD2 4.48Å; F218-L245 HydrophobicContact CE2-CD2 3.92Å; F218-L245 HydrophobicContact CZ-CD2 3.88Å; F218-T247 HydrophobicContact CD2-CG2 4.27Å; F218-T267 CarbonylContact O-C 3.6Å; F218-T267 WeakPolarHBondContact O-CA 3.24Å; F218-Q268 PolarHBondContact N-O 3.37Å; F218-Q268 PolarHBondContact O-N 3.47Å; F218-L273 HydrophobicContact CE1-CD1 4.46Å; F218-L273 HydrophobicContact CZ-CD1 3.71Å; F218-L282 HydrophobicContact CD1-CD2 3.35Å; F218-L282 HydrophobicContact CE1-CD2 3.35Å; F218-L282 HydrophobicContact CG-CD2 4.34Å; F218-L282 HydrophobicContact CZ-CD2 4.35Å
219S81.9Confident81.2Confident1 Ų122.7 Ų22.71%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-99.5117-179.7-76.80000112V185 R186 T267 D691V185-S219 PolarHBondContact N-O 2.84Å; R186-S219 PolarHBondContact N-O 2.89Å; R186-S219 PolarHBondContact O-N 3.13Å; S219-T267 WeakPolarHBondContact OG-CB 3.41Å; S219-T267 WeakPolarHBondContact OG-CG2 3.31Å; S219-T267 PolarHBondContact OG-OG1 3.03Å; S219-D691 WeakPolarHBondContact CB-OD2 2.98Å; S219-D691 PolarHBondContact OG-OD2 3.35Å
220C84Confident81.5Confident0 Ų022.2 Ų22.20%014%0.135CC..EExtended strand (participates in β ladder)trans-105.9128.7176.5-167.50000109.8E183 I222 V231 W233 V265 D266 C284E183-C220 CarbonylContact O-C 3.45Å; E183-C220 WeakPolarHBondContact O-CA 3.16Å; C220-I222 HydrophobicContact CB-CD1 4.26Å; C220-I222 WeakPolarHBondContact O-CD1 3.3Å; C220-V231 HydrophobicContact CB-CG1 4.07Å; C220-W233 HydrophobicContact CB-CH2 4.2Å; C220-W233 HydrophobicContact CB-CZ2 3.63Å; C220-V265 CarbonylContact O-C 3.45Å; C220-V265 WeakPolarHBondContact O-CA 3.33Å; C220-D266 PolarHBondContact N-O 2.85Å; C220-D266 PolarHBondContact O-N 3.22Å; C220-C284 HydrophobicContact CB-CB 3.6Å; C220-C284 WeakPolarHBondContact CB-SG 3.36Å; C220-C284 WeakPolarHBondContact SG-CB 3.27Å; C220-C284 CovalentContact SG-SG 2.05Å; C220-C284 PolarHBondContact SG-SG 2.79Å
221L81Confident81.7Confident44 Ų4422.3 Ų22.323%0.2314%0.135CC..EExtended strand (participates in β ladder)trans-90.5133.7169.1173.363.7000110.2L182 E183 V185 N263 V265L182-L221 WeakPolarHBondContact CA-O 3.36Å; L182-L221 WeakPolarHBondContact CD2-O 3.1Å; E183-L221 HydrophobicContact CB-CB 4.45Å; E183-L221 PolarHBondContact N-O 2.89Å; E183-L221 PolarHBondContact O-N 2.89Å; V185-L221 HydrophobicContact CG2-CB 3.52Å; L221-N263 HydrophobicContact CD1-CB 4.33Å; L221-V265 HydrophobicContact CD1-CG2 3.78Å
222I82.7Confident81.9Confident1 Ų122.5 Ų22.51%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-131.3134.7-177.6-48.793.8000109.6P178 L182 C220 P229 V231 N263 Y264 D266 A286P178-I222 HydrophobicContact CB-CG2 3.76Å; L182-I222 HydrophobicContact CD2-CB 4.08Å; L182-I222 HydrophobicContact CD2-CG1 3.99Å; L182-I222 HydrophobicContact CD2-CG2 3.85Å; C220-I222 HydrophobicContact CB-CD1 4.26Å; C220-I222 WeakPolarHBondContact O-CD1 3.3Å; I222-P229 HydrophobicContact CG2-CG 3.88Å; I222-V231 HydrophobicContact CD1-CG2 3.7Å; I222-V231 HydrophobicContact CG1-CG2 3.96Å; I222-N263 CarbonylContact O-C 3.56Å; I222-N263 WeakPolarHBondContact O-CA 3.45Å; I222-Y264 WeakPolarHBondContact CA-O 3.14Å; I222-Y264 HydrophobicContact CB-CD1 4.36Å; I222-Y264 HydrophobicContact CD1-CD1 3.87Å; I222-Y264 HydrophobicContact CD1-CE1 4.31Å; I222-Y264 WeakPolarHBondContact CD1-O 3.33Å; I222-Y264 PolarHBondContact N-O 2.9Å; I222-Y264 PolarHBondContact O-N 2.88Å; I222-D266 HydrophobicContact CD1-CB 3.74Å; I222-A286 HydrophobicContact CG1-CB 3.88Å; I222-A286 HydrophobicContact CG2-CB 3.87Å
223T79.3Confident82.3Confident23 Ų2320.5 Ų20.514%0.14112%0.124CC..EExtended strand (participates in β ladder)trans-121.8159.8177.575.30000112.6Q179 A225 N263Q179-T223 PolarHBondContact N-O 3.45Å; T223-A225 VanDerWaalsContact C-N 3.26Å; T223-A225 PolarHBondContact O-N 2.9Å; T223-N263 HydrophobicContact CG2-CB 4.2Å
224H78.8Confident82.7Confident65 Ų6520.4 Ų20.430%0.30111%0.111SC..SBendtrans56.221.2166.1-56.8101.6000118.4Q179 F261Q179-H224 HydrophobicContact CB-CB 3.98Å; Q179-H224 VanDerWaalsContact CD-CB 3.46Å; Q179-H224 HydrophobicContact CG-CB 3.68Å; Q179-H224 VanDerWaalsContact OE1-CG 3.29Å; Q179-H224 PolarHBondContact OE1-ND1 2.83Å; H224-F261 VanDerWaalsContact CA-O 3.25Å; H224-F261 WeakPolarHBondContact CA-O 3.39Å; H224-F261 PolarHBondContact N-O 3.24Å; H224-F261 WeakPolarHBondContact O-CD1 3.49Å
225A80.5Confident83Confident8 Ų820 Ų207%0.06611%0.109CC..  trans-86137.8178.700000114.4P178 T223 P229 F261P178-A225 HydrophobicContact CB-CB 4.01Å; P178-A225 HydrophobicContact CG-CB 3.86Å; T223-A225 VanDerWaalsContact C-N 3.26Å; T223-A225 PolarHBondContact O-N 2.9Å; A225-P229 HydrophobicContact CB-CB 4.36Å; A225-P229 HydrophobicContact CB-CG 3.72Å; A225-F261 WeakPolarHBondContact O-CA 3Å; A225-F261 PolarHBondContact O-N 2.89Å
226N81.5Confident82.9Confident10 Ų1022.4 Ų22.45%0.05312%0.117CC..BIsolated β-bridgetrans-147.8124.2164-173.117.1000109.8N152 I174 L175 A176 W258 P260 F261 N288N152-N226 PolarHBondContact OD1-ND2 3Å; I174-N226 WeakPolarHBondContact O-CB 3.03Å; I174-N226 PolarHBondContact O-ND2 3.37Å; L175-N226 CarbonylContact C-O 3.57Å; L175-N226 VanDerWaalsContact CA-O 3.3Å; L175-N226 WeakPolarHBondContact CA-O 3.22Å; A176-N226 PolarHBondContact N-O 2.79Å; A176-N226 PolarHBondContact O-N 3.39Å; A176-N226 VanDerWaalsContact O-O 3.05Å; N226-W258 WeakPolarHBondContact OD1-CH2 3.47Å; N226-P260 HydrophobicContact CB-CB 3.92Å; N226-F261 HydrophobicContact CB-CD1 4Å; N226-F261 HydrophobicContact CB-CE1 3.51Å; N226-F261 HydrophobicContact CB-CE2 4.12Å; N226-F261 HydrophobicContact CB-CZ 3.59Å; N226-F261 WeakPolarHBondContact ND2-CZ 3.13Å; N226-N288 VanDerWaalsContact C-ND2 3.33Å; N226-N288 PolarHBondContact N-ND2 2.99Å; N226-N288 PolarHBondContact O-ND2 2.8Å
227P83.3Confident82.7Confident45 Ų4523.3 Ų23.329%0.29212%0.121SC..SBendcis-71.3-175.30.233.4-36.4000112.4N288 S289P227-N288 HydrophobicContact CG-CB 4.25Å; P227-N288 PolarHBondContact O-ND2 3.38Å; P227-S289 VanDerWaalsContact CD-OG 3.22Å; P227-S289 WeakPolarHBondContact CD-OG 3.49Å
228K83Confident81.9Confident45 Ų4527.9 Ų27.920%0.19615%0.154CC..PPolyproline II helixtrans-47.5127174.4168.1165.7167.1171.60109.4W258 Y264 Q913 E917K228-W258 HydrophobicContact CB-CZ2 4.04Å; K228-Y264 VanDerWaalsContact CE-OH 3.28Å; K228-Y264 WeakPolarHBondContact CE-OH 3.19Å; K228-Y264 PolarHBondContact NZ-OH 2.92Å; K228-Y264 VanDerWaalsContact NZ-OH 3.08Å; K228-Q913 HydrophobicContact CD-CB 3.99Å; K228-Q913 HydrophobicContact CD-CG 4.2Å; K228-Q913 VanDerWaalsContact NZ-CB 3.27Å; K228-E917 IonicContact NZ-OE2 3.27Å; K228-E917 PolarHBondContact NZ-OE2 2.97Å
229P83.5Confident81.5Confident3 Ų332.7 Ų32.72%0.01918%0.18CC..PPolyproline II helixtrans-75.6139.4169.129.7-28.7000110.5P178 I222 A225 Y264 A286 K287 N288P178-P229 HydrophobicContact CG-CB 3.81Å; P178-P229 HydrophobicContact CG-CG 4.36Å; I222-P229 HydrophobicContact CG2-CG 3.88Å; A225-P229 HydrophobicContact CB-CB 4.36Å; A225-P229 HydrophobicContact CB-CG 3.72Å; P229-Y264 HydrophobicContact CG-CD1 4.13Å; P229-Y264 HydrophobicContact CG-CE1 4.48Å; P229-A286 HydrophobicContact CB-CB 4.07Å; P229-K287 CarbonylContact C-O 3.5Å; P229-K287 VanDerWaalsContact CA-O 3.25Å; P229-K287 WeakPolarHBondContact CA-O 2.98Å; P229-N288 HydrophobicContact CB-CB 4.36Å
230V85Confident80.8Confident86 Ų8634.9 Ų34.952%0.52120%0.202SC..EExtended strand (participates in β ladder)trans-79128.4160.7-178.40000106.7T232 K287V230-T232 HydrophobicContact CG1-CG2 4.41Å; V230-K287 PolarHBondContact N-O 3.19Å; V230-K287 PolarHBondContact O-N 2.92Å
231V85.5Confident80.4Confident2 Ų240.8 Ų40.81%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-98.2132.5175175.50000109C220 I222 D266 Q268 C284 T285 A286C220-V231 HydrophobicContact CB-CG1 4.07Å; I222-V231 HydrophobicContact CD1-CG2 3.7Å; I222-V231 HydrophobicContact CG1-CG2 3.96Å; V231-D266 HydrophobicContact CB-CB 3.98Å; V231-D266 HydrophobicContact CG1-CB 4.32Å; V231-D266 HydrophobicContact CG2-CB 3.69Å; V231-Q268 PolarHBondContact O-NE2 2.66Å; V231-C284 HydrophobicContact CG1-CB 4.29Å; V231-T285 CarbonylContact C-O 3.48Å; V231-T285 VanDerWaalsContact CA-O 3.23Å; V231-T285 WeakPolarHBondContact CA-O 3.3Å; V231-A286 HydrophobicContact CG2-CB 4Å
232T85.9Confident80.1Confident29 Ų2943 Ų4318%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-130.8131.4178.542.70000109.6V230 E244 T285V230-T232 HydrophobicContact CG1-CG2 4.41Å; T232-E244 WeakPolarHBondContact CG2-OE1 3.06Å; T232-T285 PolarHBondContact N-O 2.8Å; T232-T285 PolarHBondContact O-N 2.81Å; T232-T285 PolarHBondContact O-OG1 3.48Å; T232-T285 PolarHBondContact OG1-OG1 3.06Å
233W86.2Confident79.9Confident0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-96.8144-180-69.582.7000110.4I184 F218 C220 E244 L245 T247 L282 K283 C284I184-W233 HydrophobicContact CB-CH2 4.48Å; I184-W233 HydrophobicContact CD1-CZ3 3.93Å; I184-W233 HydrophobicContact CG1-CH2 4Å; I184-W233 HydrophobicContact CG1-CZ3 3.84Å; I184-W233 HydrophobicContact CG2-CH2 4.11Å; I184-W233 HydrophobicContact CG2-CZ3 4.23Å; F218-W233 HydrophobicContact CB-CD2 3.74Å; F218-W233 VanDerWaalsContact CB-CE2 3.41Å; F218-W233 HydrophobicContact CB-CE3 3.91Å; F218-W233 HydrophobicContact CB-CH2 3.52Å; F218-W233 HydrophobicContact CB-CZ2 3.3Å; F218-W233 HydrophobicContact CB-CZ3 3.8Å; F218-W233 HydrophobicContact CD1-CE3 4.43Å; F218-W233 HydrophobicContact CD1-CZ3 4.39Å; F218-W233 HydrophobicContact CG-CD2 4.36Å; F218-W233 HydrophobicContact CG-CE3 4.35Å; F218-W233 HydrophobicContact CG-CZ3 4.46Å; F218-W233 WeakPolarHBondContact O-CZ2 3.18Å; C220-W233 HydrophobicContact CB-CH2 4.2Å; C220-W233 HydrophobicContact CB-CZ2 3.63Å; W233-E244 CarbonylContact O-C 3.56Å; W233-E244 WeakPolarHBondContact O-CA 3.37Å; W233-E244 VanDerWaalsContact O-CG 3.29Å; W233-E244 WeakPolarHBondContact O-CG 3.42Å; W233-L245 HydrophobicContact CB-CB 4.08Å; W233-L245 PolarHBondContact O-N 3.17Å; W233-T247 HydrophobicContact CB-CG2 3.68Å; W233-T247 HydrophobicContact CG-CG2 3.79Å; W233-L282 HydrophobicContact CB-CD1 4.47Å; W233-L282 HydrophobicContact CE3-CD1 4.29Å; W233-L282 HydrophobicContact CE3-CD2 3.79Å; W233-L282 HydrophobicContact CE3-CG 3.89Å; W233-L282 HydrophobicContact CZ3-CD2 4.01Å; W233-L282 HydrophobicContact CZ3-CG 4.35Å; W233-K283 CarbonylContact C-O 3.42Å; W233-K283 WeakPolarHBondContact CA-O 3.23Å; W233-C284 HydrophobicContact CD2-CB 3.65Å; W233-C284 HydrophobicContact CE3-CB 3.67Å; W233-C284 HydrophobicContact CG-CB 4.41Å; W233-C284 HydrophobicContact CH2-CB 3.58Å; W233-C284 HydrophobicContact CZ2-CB 3.55Å; W233-C284 HydrophobicContact CZ3-CB 3.65Å
234F85.3Confident79.9Confident43 Ų4347.4 Ų47.419%0.18926%0.257CS..EExtended strand (participates in β ladder)trans-133.2118.9-173.9-76.9-75.4000111.2I242 E244 L282 K283 T285F234-I242 HydrophobicContact CB-CG2 3.9Å; F234-I242 HydrophobicContact CD1-CG2 3.42Å; F234-I242 VanDerWaalsContact CD1-CG2 3.42Å; F234-I242 HydrophobicContact CE1-CG2 4.17Å; F234-I242 HydrophobicContact CG-CG2 3.9Å; F234-E244 VanDerWaalsContact CD1-CA 3.49Å; F234-E244 HydrophobicContact CD1-CB 3.79Å; F234-E244 HydrophobicContact CD1-CG 3.92Å; F234-E244 HydrophobicContact CE1-CB 3.55Å; F234-E244 HydrophobicContact CE1-CG 3.58Å; F234-E244 HydrophobicContact CZ-CB 4.37Å; F234-E244 HydrophobicContact CZ-CG 3.93Å; F234-L282 WeakPolarHBondContact O-CA 3.2Å; F234-K283 HydrophobicContact CB-CG 4.01Å; F234-K283 PolarHBondContact N-O 3Å; F234-K283 PolarHBondContact O-N 3.49Å; F234-T285 HydrophobicContact CD2-CG2 3.81Å; F234-T285 HydrophobicContact CE2-CG2 4.19Å; F234-T285 VanDerWaalsContact CE2-OG1 3.29Å; F234-T285 WeakPolarHBondContact CE2-OG1 3.31Å
235I84.1Confident80.1Confident0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-83.2107.1163.4-67.2161.9000107.5H237 I242 R243 L245 L273 D277 T280 F281 L282 L300I235-H237 PolarHBondContact O-N 2.66Å; I235-I242 CarbonylContact O-C 3.45Å; I235-I242 WeakPolarHBondContact O-CA 3.28Å; I235-R243 CarbonylContact C-O 3.47Å; I235-R243 WeakPolarHBondContact CA-O 3.34Å; I235-R243 PolarHBondContact N-O 2.95Å; I235-R243 PolarHBondContact O-N 3.33Å; I235-R243 VanDerWaalsContact O-O 3.06Å; I235-L245 HydrophobicContact CD1-CB 4.02Å; I235-L245 HydrophobicContact CD1-CD1 3.57Å; I235-L245 HydrophobicContact CD1-CD2 4.16Å; I235-L245 HydrophobicContact CD1-CG 4.1Å; I235-L245 HydrophobicContact CG1-CB 4.09Å; I235-L245 HydrophobicContact CG1-CD1 4.49Å; I235-L245 HydrophobicContact CG1-CD2 4.35Å; I235-L273 HydrophobicContact CD1-CD2 3.43Å; I235-L273 VanDerWaalsContact CD1-CD2 3.43Å; I235-L273 HydrophobicContact CG1-CD2 4.28Å; I235-D277 HydrophobicContact CD1-CB 4.43Å; I235-T280 VanDerWaalsContact CG2-CB 3.48Å; I235-T280 HydrophobicContact CG2-CG2 3.99Å; I235-T280 VanDerWaalsContact CG2-OG1 3.27Å; I235-T280 WeakPolarHBondContact CG2-OG1 3.09Å; I235-F281 CarbonylContact C-O 3.44Å; I235-F281 WeakPolarHBondContact CA-O 3.24Å; I235-L282 HydrophobicContact CG1-CD1 3.79Å; I235-L300 HydrophobicContact CG1-CD1 4.41Å
236R80.3Confident80Confident60 Ų6046.2 Ų46.223%0.22625%0.253CS..EExtended strand (participates in β ladder)trans-78.6105.2158.6-176.1-179.460.267.9-3.9107.7I242 F281 E297R236-I242 HydrophobicContact CB-CG1 4.21Å; R236-I242 HydrophobicContact CG-CG1 4.06Å; R236-F281 HydrophobicContact CB-CB 4.38Å; R236-F281 PolarHBondContact N-O 2.95Å; R236-F281 VanDerWaalsContact NH2-CD1 3.28Å; R236-F281 VanDerWaalsContact NH2-CD2 3.26Å; R236-F281 PolarHBondContact O-N 3.45Å; R236-E297 IonicContact CZ-OE2 3.43Å; R236-E297 IonicContact NE-OE1 3.66Å; R236-E297 PolarHBondContact NE-OE1 2.87Å; R236-E297 IonicContact NE-OE2 3.45Å; R236-E297 PolarHBondContact NE-OE2 2.96Å; R236-E297 IonicContact NH2-OE2 3.01Å; R236-E297 PolarHBondContact NH2-OE2 2.85Å
237H77.3Confident80Confident22 Ų2246.5 Ų46.510%0.10226%0.255CS..  trans-62.1158.2168-68.4-100.7000110.2I235 N239 G240 E241 R243 E276 D277 T280I235-H237 PolarHBondContact O-N 2.66Å; H237-N239 WeakPolarHBondContact CB-OD1 3.47Å; H237-N239 PolarHBondContact O-N 3Å; H237-G240 PolarHBondContact O-N 2.88Å; H237-E241 HydrophobicContact CB-CB 4.43Å; H237-E241 PolarHBondContact CD2-O 2.81Å; H237-E241 PolarHBondContact N-O 3.03Å; H237-R243 WeakPolarHBondContact NE2-CB 3.22Å; H237-R243 WeakPolarHBondContact NE2-CD 3.39Å; H237-E276 PolarHBondContact ND1-O 3.09Å; H237-D277 IonicContact CE1-OD1 2.66Å; H237-D277 PolarHBondContact CE1-OD1 2.98Å; H237-D277 IonicContact NE2-OD1 3.24Å; H237-D277 PolarHBondContact NE2-OD1 3.49Å; H237-T280 HydrophobicContact CB-CG2 4.21Å
238S67.4Low79.6Confident98 Ų9844.7 Ų44.769%0.68524%0.243SC*.THydrogen-bonded Turntrans-62.8-25.3-178.252.30000113.5G240S238-G240 PolarHBondContact O-N 3.07Å
239N74.3Confident78.6Confident102 Ų10244.6 Ų44.655%0.54524%0.244SC..THydrogen-bonded Turntrans-74.6-2.6172.465.9-0.7000114.3H237 E241H237-N239 WeakPolarHBondContact CB-OD1 3.47Å; H237-N239 PolarHBondContact O-N 3Å; N239-E241 VanDerWaalsContact ND2-CD 3.29Å; N239-E241 PolarHBondContact ND2-OE2 2.85Å; N239-E241 VanDerWaalsContact OD1-CB 3.31Å; N239-E241 WeakPolarHBondContact OD1-CB 3.08Å; N239-E241 PolarHBondContact OD1-N 2.94Å
240G68.8Low77.1Confident46 Ų4644.4 Ų44.447%0.47424%0.243SC..SBendtrans88.5-3.7-177.500000114.9H237 S238 I242H237-G240 PolarHBondContact O-N 2.88Å; S238-G240 PolarHBondContact O-N 3.07Å; G240-I242 PolarHBondContact O-N 3.3Å
241E74.7Confident75.4Confident124 Ų12442.8 Ų42.858%0.57923%0.231SC*.  trans-67.2115.1172.4-67-179.4141.600109.6H237 N239 R243H237-E241 HydrophobicContact CB-CB 4.43Å; H237-E241 PolarHBondContact CD2-O 2.81Å; H237-E241 PolarHBondContact N-O 3.03Å; N239-E241 VanDerWaalsContact ND2-CD 3.29Å; N239-E241 PolarHBondContact ND2-OE2 2.85Å; N239-E241 VanDerWaalsContact OD1-CB 3.31Å; N239-E241 WeakPolarHBondContact OD1-CB 3.08Å; N239-E241 PolarHBondContact OD1-N 2.94Å; E241-R243 PolarHBondContact O-N 2.87Å
242I75.6Confident73.6Confident92 Ų9242.9 Ų42.947%0.47223%0.232SC..EExtended strand (participates in β ladder)trans-88.284.5176.1-60.7178.7000107.6F234 I235 R236 G240 E244F234-I242 HydrophobicContact CB-CG2 3.9Å; F234-I242 HydrophobicContact CD1-CG2 3.42Å; F234-I242 VanDerWaalsContact CD1-CG2 3.42Å; F234-I242 HydrophobicContact CE1-CG2 4.17Å; F234-I242 HydrophobicContact CG-CG2 3.9Å; I235-I242 CarbonylContact O-C 3.45Å; I235-I242 WeakPolarHBondContact O-CA 3.28Å; R236-I242 HydrophobicContact CB-CG1 4.21Å; R236-I242 HydrophobicContact CG-CG1 4.06Å; G240-I242 PolarHBondContact O-N 3.3Å; I242-E244 PolarHBondContact O-N 2.92Å
243R78.3Confident71.9Confident69 Ų6941.5 Ų41.526%0.2622%0.223SC..EExtended strand (participates in β ladder)trans-74.6117.3171.8-165.7-174.886.3175.24.6108.3I235 H237 E241 L245 V272 D277I235-R243 CarbonylContact C-O 3.47Å; I235-R243 WeakPolarHBondContact CA-O 3.34Å; I235-R243 PolarHBondContact N-O 2.95Å; I235-R243 PolarHBondContact O-N 3.33Å; I235-R243 VanDerWaalsContact O-O 3.06Å; H237-R243 WeakPolarHBondContact NE2-CB 3.22Å; H237-R243 WeakPolarHBondContact NE2-CD 3.39Å; E241-R243 PolarHBondContact O-N 2.87Å; R243-L245 PolarHBondContact O-N 2.89Å; R243-L245 VanDerWaalsContact O-N 3.14Å; R243-V272 PolarHBondContact NH2-O 3.19Å; R243-D277 VanDerWaalsContact CZ-CG 3.41Å; R243-D277 IonicContact CZ-OD1 2.57Å; R243-D277 IonicContact CZ-OD2 2.64Å; R243-D277 VanDerWaalsContact CZ-OD2 3.29Å; R243-D277 IonicContact NE-OD1 3.45Å; R243-D277 PolarHBondContact NE-OD1 3.41Å; R243-D277 VanDerWaalsContact NH1-CG 3.27Å; R243-D277 IonicContact NH1-OD1 2.72Å; R243-D277 PolarHBondContact NH1-OD1 3.4Å; R243-D277 IonicContact NH1-OD2 3.83Å; R243-D277 PolarHBondContact NH1-OD2 2.79Å; R243-D277 IonicContact NH2-OD1 3.18Å; R243-D277 PolarHBondContact NH2-OD1 3.39Å; R243-D277 IonicContact NH2-OD2 2.71Å; R243-D277 PolarHBondContact NH2-OD2 2.76Å
244E79.3Confident70.2Confident46 Ų4641.5 Ų41.522%0.21522%0.223CC..EExtended strand (participates in β ladder)trans-60.1122.1168.1-160.6179.9141.100108.6T232 W233 F234 I242 V246 R1010T232-E244 WeakPolarHBondContact CG2-OE1 3.06Å; W233-E244 CarbonylContact O-C 3.56Å; W233-E244 WeakPolarHBondContact O-CA 3.37Å; W233-E244 VanDerWaalsContact O-CG 3.29Å; W233-E244 WeakPolarHBondContact O-CG 3.42Å; F234-E244 VanDerWaalsContact CD1-CA 3.49Å; F234-E244 HydrophobicContact CD1-CB 3.79Å; F234-E244 HydrophobicContact CD1-CG 3.92Å; F234-E244 HydrophobicContact CE1-CB 3.55Å; F234-E244 HydrophobicContact CE1-CG 3.58Å; F234-E244 HydrophobicContact CZ-CB 4.37Å; F234-E244 HydrophobicContact CZ-CG 3.93Å; I242-E244 PolarHBondContact O-N 2.92Å; E244-V246 PolarHBondContact O-N 2.75Å; E244-R1010 VanDerWaalsContact CD-NH2 3.31Å; E244-R1010 IonicContact OE1-CZ 2.78Å; E244-R1010 IonicContact OE1-NH1 2.64Å; E244-R1010 PolarHBondContact OE1-NH1 3.41Å; E244-R1010 IonicContact OE1-NH2 2.87Å; E244-R1010 PolarHBondContact OE1-NH2 2.89Å; E244-R1010 IonicContact OE2-CZ 2.61Å; E244-R1010 IonicContact OE2-NH1 2.67Å; E244-R1010 PolarHBondContact OE2-NH1 2.81Å; E244-R1010 IonicContact OE2-NH2 3.57Å; E244-R1010 PolarHBondContact OE2-NH2 2.78Å
245L81.2Confident68.3Low0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-68.9122.1172.9-176.248.1000106.5F218 W233 I235 R243 T247 S270 V272 L273 L282F218-L245 HydrophobicContact CE1-CD2 4.48Å; F218-L245 HydrophobicContact CE2-CD2 3.92Å; F218-L245 HydrophobicContact CZ-CD2 3.88Å; W233-L245 HydrophobicContact CB-CB 4.08Å; W233-L245 PolarHBondContact O-N 3.17Å; I235-L245 HydrophobicContact CD1-CB 4.02Å; I235-L245 HydrophobicContact CD1-CD1 3.57Å; I235-L245 HydrophobicContact CD1-CD2 4.16Å; I235-L245 HydrophobicContact CD1-CG 4.1Å; I235-L245 HydrophobicContact CG1-CB 4.09Å; I235-L245 HydrophobicContact CG1-CD1 4.49Å; I235-L245 HydrophobicContact CG1-CD2 4.35Å; R243-L245 PolarHBondContact O-N 2.89Å; R243-L245 VanDerWaalsContact O-N 3.14Å; L245-T247 HydrophobicContact CB-CG2 4.24Å; L245-T247 HydrophobicContact CD2-CG2 4.13Å; L245-T247 HydrophobicContact CG-CG2 3.85Å; L245-T247 PolarHBondContact O-N 2.86Å; L245-T247 PolarHBondContact O-OG1 2.83Å; L245-S270 WeakPolarHBondContact CD1-OG 3.35Å; L245-V272 HydrophobicContact CD1-CB 4.38Å; L245-L273 HydrophobicContact CD1-CD2 4.38Å; L245-L273 HydrophobicContact CD1-CG 4.28Å; L245-L273 HydrophobicContact CD2-CD1 4.49Å; L245-L273 HydrophobicContact CD2-CD2 4.46Å; L245-L273 HydrophobicContact CD2-CG 4.39Å; L245-L282 HydrophobicContact CB-CD1 4.32Å; L245-L282 HydrophobicContact CD2-CD1 3.69Å
246V79.8Confident66.8Low49 Ų4942.3 Ų42.330%0.29723%0.227SC..  trans-69.486.9179.2-1800000107.4E244 F248 V272E244-V246 PolarHBondContact O-N 2.75Å; V246-F248 HydrophobicContact CG1-CD2 4.47Å; V246-F248 HydrophobicContact CG1-CE2 4.07Å; V246-F248 WeakPolarHBondContact O-CD2 3.24Å; V246-F248 WeakPolarHBondContact O-CE2 3.44Å; V246-V272 HydrophobicContact CB-CG2 4.13Å
247T80.3Confident65.7Low15 Ų1541.3 Ų41.39%0.09223%0.226CC..  trans-93.6150.1-179.846.60000111.7F218 W233 L245 Q268 T269 K925F218-T247 HydrophobicContact CD2-CG2 4.27Å; W233-T247 HydrophobicContact CB-CG2 3.68Å; W233-T247 HydrophobicContact CG-CG2 3.79Å; L245-T247 HydrophobicContact CB-CG2 4.24Å; L245-T247 HydrophobicContact CD2-CG2 4.13Å; L245-T247 HydrophobicContact CG-CG2 3.85Å; L245-T247 PolarHBondContact O-N 2.86Å; L245-T247 PolarHBondContact O-OG1 2.83Å; T247-Q268 HydrophobicContact CG2-CB 4.44Å; T247-Q268 PolarHBondContact OG1-OE1 2.82Å; T247-T269 CarbonylContact C-O 3.49Å; T247-T269 WeakPolarHBondContact CA-O 3.37Å; T247-K925 PolarHBondContact O-NZ 3Å
248F75.3Confident65.4Low8 Ų843.4 Ų43.44%0.03523%0.233CC..BIsolated β-bridgetrans-112.3122.5-160.3-64.5-162000107.3V246 Q268 T269 D271 V272 N918 N922 K925 I926V246-F248 HydrophobicContact CG1-CD2 4.47Å; V246-F248 HydrophobicContact CG1-CE2 4.07Å; V246-F248 WeakPolarHBondContact O-CD2 3.24Å; V246-F248 WeakPolarHBondContact O-CE2 3.44Å; F248-Q268 WeakPolarHBondContact O-CA 3.3Å; F248-Q268 WeakPolarHBondContact O-CB 3.32Å; F248-T269 VanDerWaalsContact CB-O 3.25Å; F248-T269 WeakPolarHBondContact CB-O 3.31Å; F248-T269 WeakPolarHBondContact CB-OG1 3.11Å; F248-T269 VanDerWaalsContact CD2-O 3.24Å; F248-T269 WeakPolarHBondContact CD2-O 3.44Å; F248-T269 VanDerWaalsContact CG-O 3.31Å; F248-T269 WeakPolarHBondContact CG-O 3.22Å; F248-T269 PolarHBondContact N-O 3.2Å; F248-T269 PolarHBondContact O-N 2.9Å; F248-D271 WeakPolarHBondContact CZ-OD1 3.24Å; F248-V272 HydrophobicContact CE2-CG2 4.05Å; F248-V272 HydrophobicContact CZ-CG2 4.32Å; F248-N918 PolarHBondContact O-OD1 2.99Å; F248-N922 HydrophobicContact CB-CB 4.25Å; F248-N922 WeakPolarHBondContact CB-OD1 3.48Å; F248-N922 HydrophobicContact CD1-CB 4.21Å; F248-N922 PolarHBondContact O-OD1 3.27Å; F248-K925 HydrophobicContact CB-CD 3.68Å; F248-K925 HydrophobicContact CD1-CB 3.42Å; F248-K925 VanDerWaalsContact CD1-CB 3.42Å; F248-K925 HydrophobicContact CD1-CD 3.66Å; F248-K925 HydrophobicContact CD1-CG 4.19Å; F248-K925 HydrophobicContact CD2-CD 3.36Å; F248-K925 HydrophobicContact CE1-CB 3.48Å; F248-K925 VanDerWaalsContact CE1-CB 3.48Å; F248-K925 HydrophobicContact CE1-CD 4.09Å; F248-K925 HydrophobicContact CE1-CG 4.45Å; F248-K925 HydrophobicContact CE2-CD 3.84Å; F248-K925 HydrophobicContact CG-CB 3.96Å; F248-K925 HydrophobicContact CG-CD 3.23Å; F248-K925 HydrophobicContact CG-CG 4.22Å; F248-K925 HydrophobicContact CZ-CB 4.11Å; F248-K925 HydrophobicContact CZ-CD 4.17Å; F248-I926 HydrophobicContact CE1-CG1 4.44Å
249N61.6Low65.6Low42 Ų4241.2 Ų41.223%0.22521%0.211CC..  trans-102.285.3-174.3-108.8107.6000111.7L251 Q268 E917 N918 H921N249-L251 WeakPolarHBondContact O-CD2 3.31Å; N249-Q268 VanDerWaalsContact OD1-CD 3.26Å; N249-Q268 PolarHBondContact OD1-NE2 3.49Å; N249-Q268 VanDerWaalsContact OD1-NE2 3.12Å; N249-E917 CarbonylContact C-O 3.59Å; N249-E917 PolarHBondContact ND2-O 3.42Å; N249-N918 VanDerWaalsContact CA-OD1 3.3Å; N249-N918 WeakPolarHBondContact CA-OD1 3.44Å; N249-N918 PolarHBondContact ND2-OD1 3.06Å; N249-N918 VanDerWaalsContact ND2-OD1 3.15Å; N249-H921 PolarHBondContact N-CD2 2.93Å; N249-H921 WeakPolarHBondContact O-CB 3.19Å; N249-H921 PolarHBondContact O-CD2 2.76Å; N249-H921 VanDerWaalsContact O-CG 3.25Å
250N53.2Low65.7Low0 Ų036.9 Ų36.90%019%0.189CC..  trans-77.8133.3-156.2-169.422.3000110.9Y916 E917 N918 L919 V920 H921 N922 L923N250-Y916 CarbonylContact C-O 3.58Å; N250-Y916 CarbonylContact O-C 3.55Å; N250-E917 PolarHBondContact N-O 2.84Å; N250-E917 CarbonylContact O-C 3.51Å; N250-E917 WeakPolarHBondContact O-CA 3.37Å; N250-N918 WeakPolarHBondContact CB-O 3.47Å; N250-N918 PolarHBondContact N-OD1 2.84Å; N250-N918 PolarHBondContact ND2-O 2.77Å; N250-N918 CarbonylContact O-C 3.51Å; N250-N918 WeakPolarHBondContact O-CA 3.34Å; N250-N918 PolarHBondContact O-N 2.02Å; N250-L919 VanDerWaalsContact CB-N 3.26Å; N250-L919 WeakPolarHBondContact ND2-CA 3.31Å; N250-L919 PolarHBondContact O-N 3.36Å; N250-L919 PolarHBondContact OD1-O 3.45Å; N250-V920 WeakPolarHBondContact OD1-CA 3.36Å; N250-V920 PolarHBondContact OD1-N 2.75Å; N250-V920 PolarHBondContact OD1-O 2.82Å; N250-H921 VanDerWaalsContact CA-CA 3.47Å; N250-H921 PolarHBondContact OD1-N 3.36Å; N250-N922 HydrophobicContact CB-CB 3.91Å; N250-N922 VanDerWaalsContact CB-OD1 3.23Å; N250-N922 WeakPolarHBondContact CB-OD1 3.31Å; N250-N922 WeakPolarHBondContact ND2-CB 3.39Å; N250-N922 PolarHBondContact ND2-ND2 2.82Å; N250-N922 WeakPolarHBondContact OD1-CA 3.38Å; N250-N922 WeakPolarHBondContact OD1-CB 3.37Å; N250-N922 PolarHBondContact OD1-N 2.89Å; N250-L923 PolarHBondContact OD1-N 2.82Å
251L49.4Very low66.1Low52 Ų5235.3 Ų35.327%0.27217%0.169SC..  trans-103.157.5-177.4-34.8176.1000122.8N249 Y916 E917 V920 H921N249-L251 WeakPolarHBondContact O-CD2 3.31Å; L251-Y916 CarbonylContact C-O 3.23Å; L251-Y916 WeakPolarHBondContact CA-O 3.49Å; L251-Y916 WeakPolarHBondContact O-CE1 3.39Å; L251-E917 HydrophobicContact CD2-CB 3.93Å; L251-E917 HydrophobicContact CD2-CG 3.98Å; L251-V920 VanDerWaalsContact C-N 3.26Å; L251-V920 HydrophobicContact CB-CB 4.41Å; L251-V920 HydrophobicContact CB-CG1 3.72Å; L251-V920 HydrophobicContact CG-CG1 4.45Å; L251-V920 VanDerWaalsContact N-CA 3.32Å; L251-V920 WeakPolarHBondContact O-CB 3.04Å; L251-V920 WeakPolarHBondContact O-CG1 3.16Å; L251-H921 HydrophobicContact CG-CB 3.94Å
252N46.2Very low66.3Low3 Ų331 Ų312%0.01615%0.153CC..SBendtrans-151.2-11.4176.6-106.19000123.7V764 Y916 L919 V920N252-V764 WeakPolarHBondContact ND2-CG1 3.27Å; N252-Y916 PolarHBondContact N-O 2.87Å; N252-Y916 WeakPolarHBondContact O-CD2 3.14Å; N252-Y916 WeakPolarHBondContact O-CE2 3.33Å; N252-Y916 PolarHBondContact OD1-OH 3.5Å; N252-L919 WeakPolarHBondContact CB-O 3.2Å; N252-V920 HydrophobicContact CB-CB 3.5Å; N252-V920 HydrophobicContact CB-CG2 3.71Å; N252-V920 VanDerWaalsContact CG-CG2 3.48Å; N252-V920 VanDerWaalsContact ND2-CG2 3.32Å; N252-V920 WeakPolarHBondContact ND2-CG2 3.46Å
253Y50.3Low66.2Low0 Ų030.1 Ų30.10%015%0.148CC..SBendtrans-92-72.7-166.4-70-174.9000115.5M191 K255 L692 L747 L768 Y916 L919M191-Y253 HydrophobicContact CE-CD1 3.58Å; M191-Y253 HydrophobicContact CE-CE1 4.28Å; M191-Y253 HydrophobicContact CG-CD1 4.47Å; M191-Y253 HydrophobicContact CG-CE1 4.34Å; M191-Y253 HydrophobicContact SD-CD1 3.34Å; M191-Y253 WeakPolarHBondContact SD-CD1 3.29Å; M191-Y253 HydrophobicContact SD-CE1 3.25Å; M191-Y253 WeakPolarHBondContact SD-CE1 3.33Å; Y253-K255 WeakPolarHBondContact O-CE 3.31Å; Y253-K255 PolarHBondContact O-NZ 2.66Å; Y253-L692 HydrophobicContact CE1-CD2 4.43Å; Y253-L747 WeakPolarHBondContact O-CD2 3.41Å; Y253-L768 HydrophobicContact CD2-CD1 4.26Å; Y253-L768 HydrophobicContact CE2-CD1 3.65Å; Y253-L768 HydrophobicContact CE2-CG 4.29Å; Y253-Y916 VanDerWaalsContact C-CD2 3.5Å; Y253-Y916 VanDerWaalsContact N-CD2 3.27Å; Y253-L919 VanDerWaalsContact CB-CG 3.5Å; Y253-L919 HydrophobicContact CD1-CB 3.24Å; Y253-L919 HydrophobicContact CD1-CD1 2.82Å; Y253-L919 HydrophobicContact CD1-CD2 2.3Å; Y253-L919 HydrophobicContact CD1-CG 2.31Å; Y253-L919 HydrophobicContact CD2-CB 2.75Å; Y253-L919 HydrophobicContact CD2-CD1 3.92Å; Y253-L919 HydrophobicContact CD2-CD2 2.3Å; Y253-L919 HydrophobicContact CD2-CG 2.31Å; Y253-L919 WeakPolarHBondContact CD2-O 3.27Å; Y253-L919 HydrophobicContact CE1-CB 3.86Å; Y253-L919 HydrophobicContact CE1-CD1 2.58Å; Y253-L919 HydrophobicContact CE1-CD2 2.29Å; Y253-L919 HydrophobicContact CE1-CG 2.33Å; Y253-L919 HydrophobicContact CE2-CB 3.44Å; Y253-L919 VanDerWaalsContact CE2-CB 3.44Å; Y253-L919 HydrophobicContact CE2-CD1 3.74Å; Y253-L919 HydrophobicContact CE2-CD2 2.3Å; Y253-L919 HydrophobicContact CE2-CG 2.33Å; Y253-L919 WeakPolarHBondContact CE2-O 3.25Å; Y253-L919 HydrophobicContact CG-CB 2.64Å; Y253-L919 HydrophobicContact CG-CD1 3.52Å; Y253-L919 HydrophobicContact CG-CD2 2.3Å; Y253-L919 HydrophobicContact CG-CG 2.31Å; Y253-L919 WeakPolarHBondContact OH-CD2 3.49Å; Y253-L919 WeakPolarHBondContact OH-CG 3.35Å
254S52.3Low66Low0 Ų027.2 Ų27.20%014%0.138CC..  trans-71.8-172.5-169.787.30000115.4D194 Q256 S914 S915 Y916D194-S254 WeakPolarHBondContact OD2-CA 3.4Å; S254-Q256 PolarHBondContact OG-N 2.91Å; S254-Q256 PolarHBondContact OG-O 2.82Å; S254-S914 VanDerWaalsContact CB-O 3.25Å; S254-S914 WeakPolarHBondContact CB-O 3.29Å; S254-S914 PolarHBondContact OG-O 2.93Å; S254-S915 WeakPolarHBondContact CB-OG 3.36Å; S254-Y916 WeakPolarHBondContact O-CB 3.49Å; S254-Y916 WeakPolarHBondContact O-CD2 3.14Å; S254-Y916 PolarHBondContact OG-N 3.05Å
255K45.1Very low66Low33 Ų3326.1 Ų26.114%0.14313%0.134CC..  trans-141.335.9174.2-54.884.7-149.9165.80109.9D194 Y253 L257 F751 L755D194-K255 IonicContact OD2-NZ 3.93Å; D194-K255 PolarHBondContact OD2-NZ 3.1Å; Y253-K255 WeakPolarHBondContact O-CE 3.31Å; Y253-K255 PolarHBondContact O-NZ 2.66Å; K255-L257 HydrophobicContact CB-CD1 4.18Å; K255-L257 WeakPolarHBondContact O-CD1 3.48Å; K255-L257 VanDerWaalsContact O-CD2 3.31Å; K255-L257 WeakPolarHBondContact O-CD2 3.29Å; K255-F751 VanDerWaalsContact C-CZ 3.48Å; K255-F751 HydrophobicContact CB-CD1 3.97Å; K255-F751 HydrophobicContact CB-CD2 3.85Å; K255-F751 HydrophobicContact CB-CE1 4.2Å; K255-F751 HydrophobicContact CB-CE2 4.02Å; K255-F751 HydrophobicContact CB-CG 3.84Å; K255-F751 HydrophobicContact CB-CZ 4.25Å; K255-F751 HydrophobicContact CD-CB 4.43Å; K255-F751 HydrophobicContact CD-CD2 3.3Å; K255-F751 HydrophobicContact CD-CE2 3.79Å; K255-F751 HydrophobicContact CD-CG 3.92Å; K255-F751 HydrophobicContact CG-CD2 4.21Å; K255-F751 HydrophobicContact CG-CG 4.48Å; K255-F751 WeakPolarHBondContact O-CE1 3.39Å; K255-L755 HydrophobicContact CD-CD1 3.72Å; K255-L755 HydrophobicContact CD-CD2 3.56Å; K255-L755 HydrophobicContact CD-CG 3.69Å; K255-L755 HydrophobicContact CG-CD2 4.23Å
256Q52.8Low65.9Low27 Ų2726.2 Ų26.213%0.12613%0.134CC..  trans-95.7100.6145.4-56-173.874.300103.1S254 E750 F751 G911 R912 Q913 S914S254-Q256 PolarHBondContact OG-N 2.91Å; S254-Q256 PolarHBondContact OG-O 2.82Å; Q256-E750 PolarHBondContact NE2-OE2 3.37Å; Q256-F751 HydrophobicContact CB-CE1 4.44Å; Q256-F751 HydrophobicContact CB-CZ 4.4Å; Q256-F751 HydrophobicContact CG-CE1 3.49Å; Q256-F751 VanDerWaalsContact CG-CE1 3.49Å; Q256-F751 HydrophobicContact CG-CZ 3.65Å; Q256-G911 CarbonylContact C-O 3.56Å; Q256-G911 WeakPolarHBondContact CA-O 3.49Å; Q256-G911 WeakPolarHBondContact CB-O 3.26Å; Q256-R912 CarbonylContact C-O 3.53Å; Q256-R912 WeakPolarHBondContact CA-O 3.35Å; Q256-R912 HydrophobicContact CB-CB 4.03Å; Q256-R912 WeakPolarHBondContact CB-O 3.38Å; Q256-Q913 CarbonylContact O-C 3.45Å; Q256-Q913 WeakPolarHBondContact O-CA 3.36Å; Q256-S914 WeakPolarHBondContact CB-OG 3.29Å; Q256-S914 PolarHBondContact NE2-OG 3.46Å; Q256-S914 PolarHBondContact O-N 2.76Å
257L55.4Low65.9Low39 Ų3924.1 Ų24.120%0.20412%0.122CC..  cis70.9-178.944.6-82.545.1000112.8K255 M909 G911 R912 Q913K255-L257 HydrophobicContact CB-CD1 4.18Å; K255-L257 WeakPolarHBondContact O-CD1 3.48Å; K255-L257 VanDerWaalsContact O-CD2 3.31Å; K255-L257 WeakPolarHBondContact O-CD2 3.29Å; L257-M909 VanDerWaalsContact CB-O 3.23Å; L257-M909 WeakPolarHBondContact CB-O 3.19Å; L257-M909 HydrophobicContact CD1-CB 4.41Å; L257-M909 HydrophobicContact CD2-CB 3.26Å; L257-M909 VanDerWaalsContact CG-C 3.42Å; L257-M909 HydrophobicContact CG-CB 3.59Å; L257-M909 WeakPolarHBondContact CG-O 2.87Å; L257-G911 CarbonylContact C-O 3.46Å; L257-G911 WeakPolarHBondContact CA-O 3.48Å; L257-G911 WeakPolarHBondContact CB-O 3.39Å; L257-G911 PolarHBondContact N-O 3.04Å; L257-G911 CarbonylContact O-C 3.55Å; L257-R912 CarbonylContact O-C 3.06Å; L257-R912 WeakPolarHBondContact O-CA 3.3Å; L257-R912 PolarHBondContact O-N 2.85Å; L257-Q913 WeakPolarHBondContact O-CA 3.41Å; L257-Q913 WeakPolarHBondContact O-CG 3.39Å; L257-Q913 PolarHBondContact O-N 2.96Å
258W71.3Confident66Low66 Ų6623.4 Ų23.425%0.2512%0.118CC..  trans-132136.7169.4-156.664.2000120.6N226 K228 P260 M909 Y910 G911 R912 Q913N226-W258 WeakPolarHBondContact OD1-CH2 3.47Å; K228-W258 HydrophobicContact CB-CZ2 4.04Å; W258-P260 HydrophobicContact CH2-CB 3.76Å; W258-P260 HydrophobicContact CH2-CG 3.64Å; W258-P260 HydrophobicContact CZ2-CB 4.35Å; W258-P260 HydrophobicContact CZ3-CB 4.29Å; W258-P260 HydrophobicContact CZ3-CG 3.64Å; W258-M909 PolarHBondContact N-O 2.86Å; W258-M909 VanDerWaalsContact N-O 3.16Å; W258-Y910 CarbonylContact O-C 3.54Å; W258-Y910 WeakPolarHBondContact O-CB 3.2Å; W258-G911 VanDerWaalsContact CA-N 3.34Å; W258-G911 VanDerWaalsContact N-C 3.29Å; W258-G911 WeakPolarHBondContact O-CA 3.27Å; W258-G911 PolarHBondContact O-N 2.92Å; W258-R912 VanDerWaalsContact CA-N 3.26Å; W258-Q913 HydrophobicContact CB-CG 4.01Å; W258-Q913 HydrophobicContact CG-CG 4.29Å
259K72.9Confident66.4Low53 Ų5323 Ų2323%0.2312%0.116CC..  trans-140140.8170.4-58.3-130.7-164.1-1620109.2H72 Y910 R912H72-K259 PolarHBondContact O-NZ 3.33Å; K259-Y910 VanDerWaalsContact CE-O 3.31Å; K259-Y910 WeakPolarHBondContact CE-O 3.08Å; K259-R912 VanDerWaalsContact N-N 3.14Å
260P75.7Confident67.4Low11 Ų1121 Ų217%0.07111%0.105CC..SBendtrans-63.1160.7169-14.626000113.9H72 N226 W258 S262H72-P260 PolarHBondContact CD2-O 3.34Å; N226-P260 HydrophobicContact CB-CB 3.92Å; W258-P260 HydrophobicContact CH2-CB 3.76Å; W258-P260 HydrophobicContact CH2-CG 3.64Å; W258-P260 HydrophobicContact CZ2-CB 4.35Å; W258-P260 HydrophobicContact CZ3-CB 4.29Å; W258-P260 HydrophobicContact CZ3-CG 3.64Å; P260-S262 PolarHBondContact O-N 2.81Å; P260-S262 PolarHBondContact O-OG 3.46Å
261F78.1Confident68.6Low13 Ų1322.8 Ų22.86%0.05712%0.115CC..SBendtrans49.3-6.4175.1-37.8-86000118.9H72 S149 N152 I174 A176 H224 A225 N226H72-F261 AromaticContact NE2-CD2 2.99Å; H72-F261 WeakPolarHBondContact NE2-CD2 3.29Å; H72-F261 AromaticContact NE2-CE2 2.87Å; H72-F261 WeakPolarHBondContact NE2-CE2 3.4Å; S149-F261 VanDerWaalsContact CB-CE1 3.48Å; S149-F261 VanDerWaalsContact CB-CG 3.47Å; S149-F261 WeakPolarHBondContact O-CD2 3.49Å; S149-F261 WeakPolarHBondContact O-CE2 3.1Å; S149-F261 WeakPolarHBondContact O-CZ 3.32Å; N152-F261 HydrophobicContact CB-CE2 3.45Å; N152-F261 VanDerWaalsContact CB-CE2 3.45Å; N152-F261 HydrophobicContact CB-CZ 3.85Å; I174-F261 HydrophobicContact CB-CZ 4.27Å; I174-F261 WeakPolarHBondContact O-CZ 3.23Å; A176-F261 HydrophobicContact CB-CD1 4.01Å; A176-F261 HydrophobicContact CB-CE1 3.62Å; H224-F261 VanDerWaalsContact CA-O 3.25Å; H224-F261 WeakPolarHBondContact CA-O 3.39Å; H224-F261 PolarHBondContact N-O 3.24Å; H224-F261 WeakPolarHBondContact O-CD1 3.49Å; A225-F261 WeakPolarHBondContact O-CA 3Å; A225-F261 PolarHBondContact O-N 2.89Å; N226-F261 HydrophobicContact CB-CD1 4Å; N226-F261 HydrophobicContact CB-CE1 3.51Å; N226-F261 HydrophobicContact CB-CE2 4.12Å; N226-F261 HydrophobicContact CB-CZ 3.59Å; N226-F261 WeakPolarHBondContact ND2-CZ 3.13Å
262S77.2Confident70Confident34 Ų3422.2 Ų22.224%0.23811%0.113CC..SBendtrans-89.2120.9-167.2-54.60000110.2P260 Y264 R912P260-S262 PolarHBondContact O-N 2.81Å; P260-S262 PolarHBondContact O-OG 3.46Å; S262-Y264 PolarHBondContact O-N 2.68Å; S262-R912 VanDerWaalsContact O-CG 3.31Å; S262-R912 WeakPolarHBondContact O-CG 3.49Å; S262-R912 PolarHBondContact O-NE 2.95Å
263N74.3Confident71.8Confident72 Ų7222 Ų2239%0.38511%0.112SC..  trans-31.493-175.6-54.510.7000115.3L221 I222 T223 R912L221-N263 HydrophobicContact CD1-CB 4.33Å; I222-N263 CarbonylContact O-C 3.56Å; I222-N263 WeakPolarHBondContact O-CA 3.45Å; T223-N263 HydrophobicContact CG2-CB 4.2Å; N263-R912 WeakPolarHBondContact O-CD 3.49Å; N263-R912 PolarHBondContact O-NE 2.86Å; N263-R912 PolarHBondContact O-NH2 2.88Å
264Y73.9Confident73.3Confident9 Ų923.9 Ų23.94%0.03512%0.124CC..EExtended strand (participates in β ladder)trans-93.3135.6-171.5173.9-124000109.7I222 K228 P229 S262 D266 R912 Q913I222-Y264 WeakPolarHBondContact CA-O 3.14Å; I222-Y264 HydrophobicContact CB-CD1 4.36Å; I222-Y264 HydrophobicContact CD1-CD1 3.87Å; I222-Y264 HydrophobicContact CD1-CE1 4.31Å; I222-Y264 WeakPolarHBondContact CD1-O 3.33Å; I222-Y264 PolarHBondContact N-O 2.9Å; I222-Y264 PolarHBondContact O-N 2.88Å; K228-Y264 VanDerWaalsContact CE-OH 3.28Å; K228-Y264 WeakPolarHBondContact CE-OH 3.19Å; K228-Y264 PolarHBondContact NZ-OH 2.92Å; K228-Y264 VanDerWaalsContact NZ-OH 3.08Å; P229-Y264 HydrophobicContact CG-CD1 4.13Å; P229-Y264 HydrophobicContact CG-CE1 4.48Å; S262-Y264 PolarHBondContact O-N 2.68Å; Y264-D266 HydrophobicContact CE1-CB 3.98Å; Y264-D266 VanDerWaalsContact CE1-OD1 3.25Å; Y264-D266 WeakPolarHBondContact CE1-OD1 3.34Å; Y264-D266 PolarHBondContact OH-OD1 2.89Å; Y264-R912 HydrophobicContact CD2-CB 3.91Å; Y264-R912 HydrophobicContact CD2-CG 4.3Å; Y264-Q913 VanDerWaalsContact CE2-C 3.45Å; Y264-Q913 HydrophobicContact CE2-CB 4.13Å; Y264-Q913 PolarHBondContact OH-O 2.79Å
265V78.6Confident74.6Confident23 Ų2325.4 Ų25.414%0.13913%0.13CC..EExtended strand (participates in β ladder)trans-111.2133.9174.3-179.90000109.3C220 L221 S914C220-V265 CarbonylContact O-C 3.45Å; C220-V265 WeakPolarHBondContact O-CA 3.33Å; L221-V265 HydrophobicContact CD1-CG2 3.78Å; V265-S914 WeakPolarHBondContact O-CA 3.28Å; V265-S914 WeakPolarHBondContact O-CB 3.18Å
266D79.8Confident76.2Confident1 Ų129.6 Ų29.61%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-123.8106.4-179.1-152.5112000110.2C220 I222 V231 Y264 Q268 N918C220-D266 PolarHBondContact N-O 2.85Å; C220-D266 PolarHBondContact O-N 3.22Å; I222-D266 HydrophobicContact CD1-CB 3.74Å; V231-D266 HydrophobicContact CB-CB 3.98Å; V231-D266 HydrophobicContact CG1-CB 4.32Å; V231-D266 HydrophobicContact CG2-CB 3.69Å; Y264-D266 HydrophobicContact CE1-CB 3.98Å; Y264-D266 VanDerWaalsContact CE1-OD1 3.25Å; Y264-D266 WeakPolarHBondContact CE1-OD1 3.34Å; Y264-D266 PolarHBondContact OH-OD1 2.89Å; D266-Q268 WeakPolarHBondContact OD2-CG 3.32Å; D266-Q268 PolarHBondContact OD2-NE2 3.25Å; D266-N918 PolarHBondContact OD2-ND2 3.24Å
267T80.8Confident77.5Confident5 Ų528.3 Ų28.33%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-107.780.7-169.6-56.40000112.5P192 Y217 F218 S219 D691 N918P192-T267 HydrophobicContact CG-CG2 3.83Å; Y217-T267 HydrophobicContact CD1-CG2 3.8Å; Y217-T267 HydrophobicContact CG-CG2 4.5Å; F218-T267 CarbonylContact O-C 3.6Å; F218-T267 WeakPolarHBondContact O-CA 3.24Å; S219-T267 WeakPolarHBondContact OG-CB 3.41Å; S219-T267 WeakPolarHBondContact OG-CG2 3.31Å; S219-T267 PolarHBondContact OG-OG1 3.03Å; T267-D691 HydrophobicContact CG2-CB 3.82Å; T267-D691 WeakPolarHBondContact CG2-OD2 3.35Å; T267-N918 PolarHBondContact N-ND2 2.68Å; T267-N918 WeakPolarHBondContact O-CB 3.43Å
268Q82.4Confident78.7Confident1 Ų128.6 Ų28.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-97.8158.3-171.3-54.5179.913.600112.9Y217 F218 V231 T247 F248 N249 D266Y217-Q268 CarbonylContact C-O 3.24Å; Y217-Q268 WeakPolarHBondContact CA-O 3.1Å; Y217-Q268 WeakPolarHBondContact CB-O 3.4Å; F218-Q268 PolarHBondContact N-O 3.37Å; F218-Q268 PolarHBondContact O-N 3.47Å; V231-Q268 PolarHBondContact O-NE2 2.66Å; T247-Q268 HydrophobicContact CG2-CB 4.44Å; T247-Q268 PolarHBondContact OG1-OE1 2.82Å; F248-Q268 WeakPolarHBondContact O-CA 3.3Å; F248-Q268 WeakPolarHBondContact O-CB 3.32Å; N249-Q268 VanDerWaalsContact OD1-CD 3.26Å; N249-Q268 PolarHBondContact OD1-NE2 3.49Å; N249-Q268 VanDerWaalsContact OD1-NE2 3.12Å; D266-Q268 WeakPolarHBondContact OD2-CG 3.32Å; D266-Q268 PolarHBondContact OD2-NE2 3.25Å
269T83.1Confident79Confident0 Ų027.5 Ų27.50%016%0.155CC..EExtended strand (participates in β ladder)trans-107.6158171.867.30000117.2L215 Y216 Y217 T247 F248 N922L215-T269 HydrophobicContact CD2-CG2 3.55Å; Y216-T269 CarbonylContact O-C 3.45Å; Y216-T269 WeakPolarHBondContact O-CA 3.4Å; Y216-T269 WeakPolarHBondContact O-CB 3.19Å; Y216-T269 VanDerWaalsContact O-CG2 3.27Å; Y216-T269 WeakPolarHBondContact O-CG2 3.46Å; Y217-T269 HydrophobicContact CD1-CG2 3.4Å; Y217-T269 HydrophobicContact CD2-CG2 3.15Å; Y217-T269 HydrophobicContact CE1-CG2 3.69Å; Y217-T269 HydrophobicContact CE2-CG2 3.4Å; Y217-T269 HydrophobicContact CG-CG2 3.11Å; T247-T269 CarbonylContact C-O 3.49Å; T247-T269 WeakPolarHBondContact CA-O 3.37Å; F248-T269 VanDerWaalsContact CB-O 3.25Å; F248-T269 WeakPolarHBondContact CB-O 3.31Å; F248-T269 WeakPolarHBondContact CB-OG1 3.11Å; F248-T269 VanDerWaalsContact CD2-O 3.24Å; F248-T269 WeakPolarHBondContact CD2-O 3.44Å; F248-T269 VanDerWaalsContact CG-O 3.31Å; F248-T269 WeakPolarHBondContact CG-O 3.22Å; F248-T269 PolarHBondContact N-O 3.2Å; F248-T269 PolarHBondContact O-N 2.9Å; T269-N922 WeakPolarHBondContact CB-ND2 3.34Å; T269-N922 WeakPolarHBondContact CG2-ND2 3.47Å; T269-N922 WeakPolarHBondContact OG1-CB 3.46Å; T269-N922 PolarHBondContact OG1-ND2 3.31Å; T269-N922 PolarHBondContact OG1-OD1 3.2Å
270S81.6Confident79.6Confident0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-144.3133.5159.7163.60000112.4Y216 L245 V272Y216-S270 PolarHBondContact N-O 2.61Å; Y216-S270 PolarHBondContact O-N 2.82Å; L245-S270 WeakPolarHBondContact CD1-OG 3.35Å; S270-V272 PolarHBondContact OG-N 2.78Å
271D78.6Confident79.9Confident37 Ų3727 Ų2720%0.19815%0.153CC..  trans-94.2-3161.967.2-24.7000113.4G213 L215 F248 L273G213-D271 WeakPolarHBondContact CA-O 3.35Å; L215-D271 HydrophobicContact CB-CB 3.73Å; L215-D271 HydrophobicContact CD1-CB 4.02Å; L215-D271 HydrophobicContact CG-CB 3.9Å; F248-D271 WeakPolarHBondContact CZ-OD1 3.24Å; D271-L273 PolarHBondContact O-N 3.48Å; D271-L273 VanDerWaalsContact O-N 3.14Å
272V80.3Confident80.2Confident39 Ų3926.4 Ų26.424%0.23615%0.15CC..  trans-80.38.2-171.3-163.80000112.3R243 L245 V246 F248 S270 T274R243-V272 PolarHBondContact NH2-O 3.19Å; L245-V272 HydrophobicContact CD1-CB 4.38Å; V246-V272 HydrophobicContact CB-CG2 4.13Å; F248-V272 HydrophobicContact CE2-CG2 4.05Å; F248-V272 HydrophobicContact CZ-CG2 4.32Å; S270-V272 PolarHBondContact OG-N 2.78Å; V272-T274 PolarHBondContact O-N 2.9Å
273L82.6Confident80.6Confident0 Ų026.6 Ų26.60%015%0.146CC..  trans-77.6110.8171.6-78.6172.8000109.2I210 S212 G213 Y216 F218 I235 L245 D271 D277 L300 I302I210-L273 HydrophobicContact CD1-CD1 3.6Å; I210-L273 HydrophobicContact CG2-CB 4.19Å; I210-L273 HydrophobicContact CG2-CD1 4.08Å; S212-L273 CarbonylContact C-O 3.58Å; S212-L273 WeakPolarHBondContact CA-O 3.28Å; G213-L273 PolarHBondContact N-O 2.99Å; Y216-L273 HydrophobicContact CD2-CD1 4.33Å; Y216-L273 HydrophobicContact CG-CD1 4.33Å; F218-L273 HydrophobicContact CE1-CD1 4.46Å; F218-L273 HydrophobicContact CZ-CD1 3.71Å; I235-L273 HydrophobicContact CD1-CD2 3.43Å; I235-L273 VanDerWaalsContact CD1-CD2 3.43Å; I235-L273 HydrophobicContact CG1-CD2 4.28Å; L245-L273 HydrophobicContact CD1-CD2 4.38Å; L245-L273 HydrophobicContact CD1-CG 4.28Å; L245-L273 HydrophobicContact CD2-CD1 4.49Å; L245-L273 HydrophobicContact CD2-CD2 4.46Å; L245-L273 HydrophobicContact CD2-CG 4.39Å; D271-L273 PolarHBondContact O-N 3.48Å; D271-L273 VanDerWaalsContact O-N 3.14Å; L273-D277 HydrophobicContact CD2-CB 3.88Å; L273-L300 HydrophobicContact CD1-CD1 4.11Å; L273-L300 HydrophobicContact CD2-CD1 3.45Å; L273-L300 VanDerWaalsContact CD2-CD1 3.45Å; L273-L300 HydrophobicContact CG-CD1 4.47Å; L273-I302 HydrophobicContact CB-CD1 4.04Å; L273-I302 HydrophobicContact CD2-CD1 3.91Å
274T83.2Confident81.1Confident39 Ų3923.2 Ų23.224%0.23913%0.128CC..  trans-113.4174.1-174.567.90000111.8S212 V272 E276 D277 I302S212-T274 WeakPolarHBondContact OG-CA 3.27Å; V272-T274 PolarHBondContact O-N 2.9Å; T274-E276 PolarHBondContact O-N 2.99Å; T274-E276 PolarHBondContact OG1-N 2.79Å; T274-D277 PolarHBondContact N-OD2 2.75Å; T274-D277 WeakPolarHBondContact O-CA 3.15Å; T274-D277 WeakPolarHBondContact O-CB 3.48Å; T274-D277 PolarHBondContact O-N 3.05Å; T274-D277 PolarHBondContact OG1-OD2 2.99Å; T274-I302 WeakPolarHBondContact O-CD1 3.47Å
275H78.2Confident81.7Confident31 Ų3123 Ų2314%0.14413%0.128CC..THydrogen-bonded Turntrans-55.5-6.8167.289.4-60.8000117.2S212 Y304 I307 K331S212-H275 PolarHBondContact OG-N 2.91Å; H275-Y304 HydrophobicContact CB-CD1 3.35Å; H275-Y304 HydrophobicContact CB-CD2 3.3Å; H275-Y304 HydrophobicContact CB-CE1 3.67Å; H275-Y304 HydrophobicContact CB-CE2 3.56Å; H275-Y304 HydrophobicContact CB-CG 3.18Å; H275-Y304 AromaticContact CD2-CE2 3.71Å; H275-I307 HydrophobicContact CB-CD1 4.27Å; H275-I307 WeakPolarHBondContact CD2-CD1 3.41Å; H275-I307 VanDerWaalsContact CG-CD1 3.47Å; H275-I307 WeakPolarHBondContact NE2-CD1 3.22Å; H275-K331 VanDerWaalsContact CD2-CE 3.41Å; H275-K331 WeakPolarHBondContact CD2-CE 3.33Å; H275-K331 PolarHBondContact CD2-NZ 3.35Å; H275-K331 PolarHBondContact NE2-NZ 2.89Å; H275-K331 VanDerWaalsContact NE2-NZ 3.2Å; H275-K331 WeakPolarHBondContact O-CE 3.5Å; H275-K331 PolarHBondContact O-NZ 3.5Å
276E78.9Confident82.1Confident122 Ų12222 Ų2257%0.5712%0.121SC*.THydrogen-bonded Turntrans-96.6-13.9174-52.3179.9173.100111.9H237 T274 D278H237-E276 PolarHBondContact ND1-O 3.09Å; T274-E276 PolarHBondContact O-N 2.99Å; T274-E276 PolarHBondContact OG1-N 2.79Å; E276-D278 VanDerWaalsContact C-N 3.34Å
277D81Confident82.3Confident0 Ų028 Ų280%015%0.148CC..SBendtrans-95.26.4178-55.9-66.8000111.8I235 H237 R243 L273 T274 T280 I302I235-D277 HydrophobicContact CD1-CB 4.43Å; H237-D277 IonicContact CE1-OD1 2.66Å; H237-D277 PolarHBondContact CE1-OD1 2.98Å; H237-D277 IonicContact NE2-OD1 3.24Å; H237-D277 PolarHBondContact NE2-OD1 3.49Å; R243-D277 VanDerWaalsContact CZ-CG 3.41Å; R243-D277 IonicContact CZ-OD1 2.57Å; R243-D277 IonicContact CZ-OD2 2.64Å; R243-D277 VanDerWaalsContact CZ-OD2 3.29Å; R243-D277 IonicContact NE-OD1 3.45Å; R243-D277 PolarHBondContact NE-OD1 3.41Å; R243-D277 VanDerWaalsContact NH1-CG 3.27Å; R243-D277 IonicContact NH1-OD1 2.72Å; R243-D277 PolarHBondContact NH1-OD1 3.4Å; R243-D277 IonicContact NH1-OD2 3.83Å; R243-D277 PolarHBondContact NH1-OD2 2.79Å; R243-D277 IonicContact NH2-OD1 3.18Å; R243-D277 PolarHBondContact NH2-OD1 3.39Å; R243-D277 IonicContact NH2-OD2 2.71Å; R243-D277 PolarHBondContact NH2-OD2 2.76Å; L273-D277 HydrophobicContact CD2-CB 3.88Å; T274-D277 PolarHBondContact N-OD2 2.75Å; T274-D277 WeakPolarHBondContact O-CA 3.15Å; T274-D277 WeakPolarHBondContact O-CB 3.48Å; T274-D277 PolarHBondContact O-N 3.05Å; T274-D277 PolarHBondContact OG1-OD2 2.99Å; D277-T280 VanDerWaalsContact C-CG2 3.45Å; D277-T280 WeakPolarHBondContact O-CB 3.46Å; D277-T280 WeakPolarHBondContact O-CG2 3.33Å; D277-T280 PolarHBondContact O-N 3.25Å; D277-T280 PolarHBondContact O-OG1 3.35Å; D277-I302 HydrophobicContact CB-CD1 3.41Å; D277-I302 VanDerWaalsContact CB-CD1 3.41Å; D277-I302 WeakPolarHBondContact O-CD1 3.36Å
278D79.3Confident82.5Confident44 Ų4428.6 Ų28.624%0.23515%0.151CC..THydrogen-bonded Turntrans-68.2134.4176.8-167.614000111.4E276 T280 I302 Y304 N333E276-D278 VanDerWaalsContact C-N 3.34Å; D278-T280 VanDerWaalsContact C-N 3.3Å; D278-T280 PolarHBondContact O-N 2.97Å; D278-I302 HydrophobicContact CB-CB 3.98Å; D278-I302 PolarHBondContact OD1-N 3.47Å; D278-Y304 HydrophobicContact CB-CE1 4.29Å; D278-N333 PolarHBondContact OD1-ND2 2.82Å; D278-N333 PolarHBondContact OD2-ND2 2.97Å
279G78.9Confident82.3Confident43 Ų4332.1 Ų32.144%0.44318%0.175SC..THydrogen-bonded Turntrans69.520.3-175.800000115L300G279-L300 VanDerWaalsContact CA-O 3.28Å; G279-L300 WeakPolarHBondContact CA-O 3.24Å; G279-L300 PolarHBondContact N-O 2.87Å
280T85.5Confident82.1Confident1 Ų135.6 Ų35.61%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-97169-176.868.10000113.4I235 H237 D277 D278 N299 L300I235-T280 VanDerWaalsContact CG2-CB 3.48Å; I235-T280 HydrophobicContact CG2-CG2 3.99Å; I235-T280 VanDerWaalsContact CG2-OG1 3.27Å; I235-T280 WeakPolarHBondContact CG2-OG1 3.09Å; H237-T280 HydrophobicContact CB-CG2 4.21Å; D277-T280 VanDerWaalsContact C-CG2 3.45Å; D277-T280 WeakPolarHBondContact O-CB 3.46Å; D277-T280 WeakPolarHBondContact O-CG2 3.33Å; D277-T280 PolarHBondContact O-N 3.25Å; D277-T280 PolarHBondContact O-OG1 3.35Å; D278-T280 VanDerWaalsContact C-N 3.3Å; D278-T280 PolarHBondContact O-N 2.97Å; T280-N299 CarbonylContact O-C 3.53Å; T280-N299 WeakPolarHBondContact O-CA 3.44Å; T280-L300 PolarHBondContact N-O 2.86Å; T280-L300 PolarHBondContact O-N 2.81Å
281F82Confident82.1Confident54 Ų5436.7 Ų36.724%0.23720%0.204CC..EExtended strand (participates in β ladder)trans-116.9130.6-173.6-61.5-102000110.9I235 R236 E297 V298 N299I235-F281 CarbonylContact C-O 3.44Å; I235-F281 WeakPolarHBondContact CA-O 3.24Å; R236-F281 HydrophobicContact CB-CB 4.38Å; R236-F281 PolarHBondContact N-O 2.95Å; R236-F281 VanDerWaalsContact NH2-CD1 3.28Å; R236-F281 VanDerWaalsContact NH2-CD2 3.26Å; R236-F281 PolarHBondContact O-N 3.45Å; F281-E297 HydrophobicContact CB-CB 4.35Å; F281-V298 CarbonylContact C-O 3.51Å; F281-V298 WeakPolarHBondContact CA-O 3.24Å; F281-N299 WeakPolarHBondContact CD1-OD1 3.47Å; F281-N299 WeakPolarHBondContact CE1-OD1 3.41Å
282L84Confident82.3Confident0 Ų039.1 Ų39.10%022%0.216CC..EExtended strand (participates in β ladder)trans-113134.5-174.5-173.175.4000112.1I187 F218 W233 F234 I235 L245 E297 V298 L300I187-L282 HydrophobicContact CD1-CD2 3.72Å; F218-L282 HydrophobicContact CD1-CD2 3.35Å; F218-L282 HydrophobicContact CE1-CD2 3.35Å; F218-L282 HydrophobicContact CG-CD2 4.34Å; F218-L282 HydrophobicContact CZ-CD2 4.35Å; W233-L282 HydrophobicContact CB-CD1 4.47Å; W233-L282 HydrophobicContact CE3-CD1 4.29Å; W233-L282 HydrophobicContact CE3-CD2 3.79Å; W233-L282 HydrophobicContact CE3-CG 3.89Å; W233-L282 HydrophobicContact CZ3-CD2 4.01Å; W233-L282 HydrophobicContact CZ3-CG 4.35Å; F234-L282 WeakPolarHBondContact O-CA 3.2Å; I235-L282 HydrophobicContact CG1-CD1 3.79Å; L245-L282 HydrophobicContact CB-CD1 4.32Å; L245-L282 HydrophobicContact CD2-CD1 3.69Å; L282-E297 CarbonylContact O-C 3.58Å; L282-E297 VanDerWaalsContact O-CA 3.27Å; L282-E297 WeakPolarHBondContact O-CA 3.16Å; L282-V298 HydrophobicContact CB-CG2 4.21Å; L282-V298 PolarHBondContact N-O 2.8Å; L282-V298 PolarHBondContact O-N 3.26Å; L282-L300 HydrophobicContact CB-CD1 4.17Å; L282-L300 HydrophobicContact CB-CD2 4.01Å; L282-L300 HydrophobicContact CB-CG 4.2Å; L282-L300 HydrophobicContact CD2-CD2 4.28Å
283K85.1Confident82.4Confident38 Ų3837.3 Ų37.317%0.16521%0.205CC..EExtended strand (participates in β ladder)trans-132148.5167.955.7-169.5164.8-1530112W233 F234 S295 E297W233-K283 CarbonylContact C-O 3.42Å; W233-K283 WeakPolarHBondContact CA-O 3.23Å; F234-K283 HydrophobicContact CB-CG 4.01Å; F234-K283 PolarHBondContact N-O 3Å; F234-K283 PolarHBondContact O-N 3.49Å; K283-S295 WeakPolarHBondContact CA-OG 3.47Å; K283-E297 HydrophobicContact CB-CG 3.88Å; K283-E297 HydrophobicContact CD-CG 3.83Å; K283-E297 WeakPolarHBondContact CD-OE1 3.17Å; K283-E297 WeakPolarHBondContact CE-OE1 3.4Å; K283-E297 HydrophobicContact CG-CG 4.16Å; K283-E297 IonicContact NZ-OE1 3.15Å; K283-E297 PolarHBondContact NZ-OE1 2.79Å
284C85.7Confident82.4Confident0 Ų039.1 Ų39.10%022%0.218CC..EExtended strand (participates in β ladder)trans-88.9152.5160.566.80000110.8C220 V231 W233 S294 S295C220-C284 HydrophobicContact CB-CB 3.6Å; C220-C284 WeakPolarHBondContact CB-SG 3.36Å; C220-C284 WeakPolarHBondContact SG-CB 3.27Å; C220-C284 CovalentContact SG-SG 2.05Å; C220-C284 PolarHBondContact SG-SG 2.79Å; V231-C284 HydrophobicContact CG1-CB 4.29Å; W233-C284 HydrophobicContact CD2-CB 3.65Å; W233-C284 HydrophobicContact CE3-CB 3.67Å; W233-C284 HydrophobicContact CG-CB 4.41Å; W233-C284 HydrophobicContact CH2-CB 3.58Å; W233-C284 HydrophobicContact CZ2-CB 3.55Å; W233-C284 HydrophobicContact CZ3-CB 3.65Å; C284-S294 CarbonylContact O-C 3.47Å; C284-S294 WeakPolarHBondContact O-CA 3.4Å; C284-S295 PolarHBondContact N-OG 2.88Å; C284-S295 PolarHBondContact O-N 3Å; C284-S295 PolarHBondContact O-OG 3.03Å
285T86.3Confident82.3Confident6 Ų637.9 Ų37.94%0.03721%0.211CC..EExtended strand (participates in β ladder)trans-139143.1173660000109.5V231 T232 F234 A293V231-T285 CarbonylContact C-O 3.48Å; V231-T285 VanDerWaalsContact CA-O 3.23Å; V231-T285 WeakPolarHBondContact CA-O 3.3Å; T232-T285 PolarHBondContact N-O 2.8Å; T232-T285 PolarHBondContact O-N 2.81Å; T232-T285 PolarHBondContact O-OG1 3.48Å; T232-T285 PolarHBondContact OG1-OG1 3.06Å; F234-T285 HydrophobicContact CD2-CG2 3.81Å; F234-T285 HydrophobicContact CE2-CG2 4.19Å; F234-T285 VanDerWaalsContact CE2-OG1 3.29Å; F234-T285 WeakPolarHBondContact CE2-OG1 3.31Å; T285-A293 CarbonylContact C-O 3.51Å; T285-A293 WeakPolarHBondContact CA-O 3.38Å; T285-A293 WeakPolarHBondContact CB-O 3.34Å
286A86.4Confident82.4Confident0 Ų042.6 Ų42.60%023%0.233CC..EExtended strand (participates in β ladder)trans-121.8118.2-176.500000108.9P178 L182 I222 P229 V231 L292 A293P178-A286 HydrophobicContact CB-CB 4.14Å; P178-A286 HydrophobicContact CG-CB 4.19Å; L182-A286 HydrophobicContact CD1-CB 3.54Å; L182-A286 HydrophobicContact CD2-CB 4.09Å; L182-A286 HydrophobicContact CG-CB 4.48Å; I222-A286 HydrophobicContact CG1-CB 3.88Å; I222-A286 HydrophobicContact CG2-CB 3.87Å; P229-A286 HydrophobicContact CB-CB 4.07Å; V231-A286 HydrophobicContact CG2-CB 4Å; A286-L292 CarbonylContact O-C 3.51Å; A286-L292 WeakPolarHBondContact O-CA 3.13Å; A286-A293 PolarHBondContact N-O 2.84Å; A286-A293 PolarHBondContact O-N 2.87Å
287K83.5Confident82.3Confident129 Ų12939.5 Ų39.556%0.56122%0.219SC*.EExtended strand (participates in β ladder)trans-120.2131-176.3-165.9177.7178.61780111.6P229 V230 G291 L292P229-K287 CarbonylContact C-O 3.5Å; P229-K287 VanDerWaalsContact CA-O 3.25Å; P229-K287 WeakPolarHBondContact CA-O 2.98Å; V230-K287 PolarHBondContact N-O 3.19Å; V230-K287 PolarHBondContact O-N 2.92Å; K287-G291 WeakPolarHBondContact CA-O 3.06Å; K287-L292 HydrophobicContact CB-CD1 3.65Å; K287-L292 HydrophobicContact CD-CD1 4.39Å; K287-L292 HydrophobicContact CG-CD1 4.07Å
288N85.3Confident82.3Confident16 Ų1640 Ų409%0.08622%0.221CC..  trans-125.9-166.1163.172.69.6000110.5A176 N226 P227 P229 M290 G291A176-N288 PolarHBondContact O-ND2 3.36Å; N226-N288 VanDerWaalsContact C-ND2 3.33Å; N226-N288 PolarHBondContact N-ND2 2.99Å; N226-N288 PolarHBondContact O-ND2 2.8Å; P227-N288 HydrophobicContact CG-CB 4.25Å; P227-N288 PolarHBondContact O-ND2 3.38Å; P229-N288 HydrophobicContact CB-CB 4.36Å; N288-M290 PolarHBondContact O-N 3.19Å; N288-M290 PolarHBondContact OD1-N 2.9Å; N288-G291 PolarHBondContact N-O 3.24Å; N288-G291 PolarHBondContact OD1-N 2.85Å
289S79Confident82.3Confident75 Ų7540.8 Ų40.852%0.52423%0.226SC..SBendtrans-67.7-10.4-179.454.70000114.7P227P227-S289 VanDerWaalsContact CD-OG 3.22Å; P227-S289 WeakPolarHBondContact CD-OG 3.49Å
290M79.1Confident82.6Confident74 Ų7438.8 Ų38.837%0.36521%0.205SC..SBendtrans-110.8-19.5-175.3-65.5-77.188.700114.3P41 L175 P177 N288P41-M290 HydrophobicContact CB-SD 3.72Å; L175-M290 HydrophobicContact CB-CE 4.49Å; L175-M290 HydrophobicContact CB-CG 3.38Å; L175-M290 HydrophobicContact CB-SD 3.49Å; L175-M290 WeakPolarHBondContact CB-SD 3.32Å; L175-M290 HydrophobicContact CD1-CE 4.29Å; L175-M290 HydrophobicContact CD1-SD 4.28Å; P177-M290 HydrophobicContact CB-CB 4.18Å; N288-M290 PolarHBondContact O-N 3.19Å; N288-M290 PolarHBondContact OD1-N 2.9Å
291G80.8Confident82.4Confident23 Ų2341.6 Ų41.624%0.23722%0.22CC..  trans174.6-176178.900000114.3K287 N288K287-G291 WeakPolarHBondContact CA-O 3.06Å; N288-G291 PolarHBondContact N-O 3.24Å; N288-G291 PolarHBondContact OD1-N 2.85Å
292L83.2Confident82.5Confident88 Ų8839 Ų3946%0.46121%0.209SC..EExtended strand (participates in β ladder)trans-122137.8177.4-175.673.7000108.2A286 K287A286-L292 CarbonylContact O-C 3.51Å; A286-L292 WeakPolarHBondContact O-CA 3.13Å; K287-L292 HydrophobicContact CB-CD1 3.65Å; K287-L292 HydrophobicContact CD-CD1 4.39Å; K287-L292 HydrophobicContact CG-CD1 4.07Å
293A83Confident82.6Confident0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-114.8161.6158.900000110.6P178 Y180 L182 T285 A286P178-A293 HydrophobicContact CB-CB 4Å; Y180-A293 HydrophobicContact CD1-CB 4.4Å; Y180-A293 HydrophobicContact CD2-CB 3.84Å; Y180-A293 HydrophobicContact CE1-CB 4.32Å; Y180-A293 HydrophobicContact CE2-CB 3.72Å; Y180-A293 HydrophobicContact CG-CB 4.19Å; Y180-A293 VanDerWaalsContact CZ-CA 3.48Å; L182-A293 VanDerWaalsContact CD1-C 3.45Å; L182-A293 HydrophobicContact CD1-CB 3.85Å; L182-A293 WeakPolarHBondContact CD1-O 3.38Å; L182-A293 HydrophobicContact CD2-CB 3.81Å; L182-A293 HydrophobicContact CG-CB 3.67Å; T285-A293 CarbonylContact C-O 3.51Å; T285-A293 WeakPolarHBondContact CA-O 3.38Å; T285-A293 WeakPolarHBondContact CB-O 3.34Å; A286-A293 PolarHBondContact N-O 2.84Å; A286-A293 PolarHBondContact O-N 2.87Å
294S81.2Confident82.5Confident39 Ų3940 Ų4027%0.27321%0.213SC..EExtended strand (participates in β ladder)trans-142.1148-179.560.50000111.4Y180 C284Y180-S294 WeakPolarHBondContact CD1-O 3.43Å; Y180-S294 WeakPolarHBondContact CE1-O 3.4Å; Y180-S294 WeakPolarHBondContact CE1-OG 3.35Å; Y180-S294 PolarHBondContact OH-N 2.67Å; Y180-S294 PolarHBondContact OH-OG 2.88Å; C284-S294 CarbonylContact O-C 3.47Å; C284-S294 WeakPolarHBondContact O-CA 3.4Å
295S82.4Confident82.6Confident13 Ų1342.9 Ų42.99%0.09123%0.231CC..BIsolated β-bridgetrans-83174.1173.369.40000112.8L182 I184 K283 C284L182-S295 VanDerWaalsContact O-CA 3.23Å; L182-S295 WeakPolarHBondContact O-CA 3.41Å; L182-S295 VanDerWaalsContact O-CB 3.25Å; L182-S295 WeakPolarHBondContact O-CB 3.39Å; I184-S295 WeakPolarHBondContact CG1-OG 3.22Å; K283-S295 WeakPolarHBondContact CA-OG 3.47Å; C284-S295 PolarHBondContact N-OG 2.88Å; C284-S295 PolarHBondContact O-N 3Å; C284-S295 PolarHBondContact O-OG 3.03Å
296E79Confident82.7Confident129 Ų12942.6 Ų42.660%0.60323%0.229SC*.  trans-58.7160.1156-59.9-161.4167.700111I184 R206I184-E296 WeakPolarHBondContact CD1-O 3.49Å; R206-E296 IonicContact CZ-OE2 2.7Å; R206-E296 IonicContact NE-OE2 3.14Å; R206-E296 IonicContact NH2-OE1 2.64Å; R206-E296 IonicContact NH2-OE2 3.38Å; R206-E296 PolarHBondContact NH2-OE2 2.89Å
297E78.5Confident82.7Confident57 Ų5745.4 Ų45.427%0.26624%0.243SC..  trans-95.6141.6175.4-76.1179.5176.500111.4R236 F281 L282 K283R236-E297 IonicContact CZ-OE2 3.43Å; R236-E297 IonicContact NE-OE1 3.66Å; R236-E297 PolarHBondContact NE-OE1 2.87Å; R236-E297 IonicContact NE-OE2 3.45Å; R236-E297 PolarHBondContact NE-OE2 2.96Å; R236-E297 IonicContact NH2-OE2 3.01Å; R236-E297 PolarHBondContact NH2-OE2 2.85Å; F281-E297 HydrophobicContact CB-CB 4.35Å; L282-E297 CarbonylContact O-C 3.58Å; L282-E297 VanDerWaalsContact O-CA 3.27Å; L282-E297 WeakPolarHBondContact O-CA 3.16Å; K283-E297 HydrophobicContact CB-CG 3.88Å; K283-E297 HydrophobicContact CD-CG 3.83Å; K283-E297 WeakPolarHBondContact CD-OE1 3.17Å; K283-E297 WeakPolarHBondContact CE-OE1 3.4Å; K283-E297 HydrophobicContact CG-CG 4.16Å; K283-E297 IonicContact NZ-OE1 3.15Å; K283-E297 PolarHBondContact NZ-OE1 2.79Å
298V80.8Confident82.9Confident10 Ų1040 Ų406%0.06122%0.221CC..EExtended strand (participates in β ladder)trans-129.1142.2177.1-62.10000111.6I184 I187 F208 F281 L282I184-V298 HydrophobicContact CD1-CG1 4.13Å; I184-V298 HydrophobicContact CD1-CG2 3.67Å; I187-V298 HydrophobicContact CD1-CG2 3.68Å; F208-V298 HydrophobicContact CD2-CB 4.1Å; F208-V298 HydrophobicContact CD2-CG2 3.89Å; F208-V298 HydrophobicContact CE2-CB 3.81Å; F208-V298 HydrophobicContact CE2-CG1 4.17Å; F208-V298 HydrophobicContact CE2-CG2 3.71Å; F281-V298 CarbonylContact C-O 3.51Å; F281-V298 WeakPolarHBondContact CA-O 3.24Å; L282-V298 HydrophobicContact CB-CG2 4.21Å; L282-V298 PolarHBondContact N-O 2.8Å; L282-V298 PolarHBondContact O-N 3.26Å
299N79.4Confident82.8Confident61 Ų6145.2 Ų45.233%0.32624%0.24SC..EExtended strand (participates in β ladder)trans-82.6147.5-171.6-58.518.8000111.9R206 T207 F208 T280 F281R206-N299 PolarHBondContact O-N 3.29Å; T207-N299 CarbonylContact C-O 3.56Å; T207-N299 WeakPolarHBondContact CA-O 3.34Å; T207-N299 HydrophobicContact CG2-CB 3.9Å; F208-N299 PolarHBondContact N-O 3.49Å; T280-N299 CarbonylContact O-C 3.53Å; T280-N299 WeakPolarHBondContact O-CA 3.44Å; F281-N299 WeakPolarHBondContact CD1-OD1 3.47Å; F281-N299 WeakPolarHBondContact CE1-OD1 3.41Å
300L83.8Confident83Confident2 Ų246.7 Ų46.71%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-115.6124.1174.4-45.6-175.8000109.7F208 I210 I235 L273 G279 T280 L282 I302F208-L300 HydrophobicContact CB-CD2 4.4Å; F208-L300 WeakPolarHBondContact O-CA 3.34Å; I210-L300 HydrophobicContact CD1-CB 4.21Å; I210-L300 HydrophobicContact CD1-CD1 4.29Å; I210-L300 HydrophobicContact CD1-CD2 3.8Å; I210-L300 HydrophobicContact CD1-CG 4.32Å; I235-L300 HydrophobicContact CG1-CD1 4.41Å; L273-L300 HydrophobicContact CD1-CD1 4.11Å; L273-L300 HydrophobicContact CD2-CD1 3.45Å; L273-L300 VanDerWaalsContact CD2-CD1 3.45Å; L273-L300 HydrophobicContact CG-CD1 4.47Å; G279-L300 VanDerWaalsContact CA-O 3.28Å; G279-L300 WeakPolarHBondContact CA-O 3.24Å; G279-L300 PolarHBondContact N-O 2.87Å; T280-L300 PolarHBondContact N-O 2.86Å; T280-L300 PolarHBondContact O-N 2.81Å; L282-L300 HydrophobicContact CB-CD1 4.17Å; L282-L300 HydrophobicContact CB-CD2 4.01Å; L282-L300 HydrophobicContact CB-CG 4.2Å; L282-L300 HydrophobicContact CD2-CD2 4.28Å; L300-I302 HydrophobicContact CB-CG1 4.33Å
301N81.9Confident83.1Confident59 Ų5944.4 Ų44.432%0.31624%0.236SC..EExtended strand (participates in β ladder)trans-102.2122.9165.6168.777.9000107.8F208 T209 I210 E303 N333F208-N301 PolarHBondContact O-N 3.35Å; T209-N301 CarbonylContact C-O 3.48Å; T209-N301 HydrophobicContact CG2-CB 4.33Å; I210-N301 WeakPolarHBondContact CA-O 3.13Å; I210-N301 VanDerWaalsContact CB-O 3.31Å; I210-N301 WeakPolarHBondContact CB-O 3.38Å; I210-N301 PolarHBondContact N-O 3.47Å; N301-E303 PolarHBondContact ND2-OE1 2.83Å; N301-N333 PolarHBondContact OD1-ND2 3.35Å
302I83.9Confident82.8Confident0 Ų051.3 Ų51.30%026%0.262CS..EExtended strand (participates in β ladder)trans-120118.9-171-52.3-172000111.3I210 L273 T274 D277 D278 L300 Y304 N333I210-I302 HydrophobicContact CB-CG1 3.93Å; I210-I302 HydrophobicContact CG2-CB 4.34Å; I210-I302 HydrophobicContact CG2-CD1 4.09Å; I210-I302 HydrophobicContact CG2-CG1 3.76Å; I210-I302 HydrophobicContact CG2-CG2 4.09Å; I210-I302 CarbonylContact O-C 3.48Å; I210-I302 WeakPolarHBondContact O-CA 3.34Å; L273-I302 HydrophobicContact CB-CD1 4.04Å; L273-I302 HydrophobicContact CD2-CD1 3.91Å; T274-I302 WeakPolarHBondContact O-CD1 3.47Å; D277-I302 HydrophobicContact CB-CD1 3.41Å; D277-I302 VanDerWaalsContact CB-CD1 3.41Å; D277-I302 WeakPolarHBondContact O-CD1 3.36Å; D278-I302 HydrophobicContact CB-CB 3.98Å; D278-I302 PolarHBondContact OD1-N 3.47Å; L300-I302 HydrophobicContact CB-CG1 4.33Å; I302-Y304 WeakPolarHBondContact O-CD1 3.42Å; I302-Y304 VanDerWaalsContact O-CE1 3.27Å; I302-Y304 WeakPolarHBondContact O-CE1 3.48Å; I302-N333 WeakPolarHBondContact O-CB 3.47Å; I302-N333 PolarHBondContact O-ND2 3.25Å; I302-N333 VanDerWaalsContact O-ND2 3.13Å
303E85.8Confident82.1Confident43 Ų4350.4 Ų50.420%0.20126%0.263CS..EExtended strand (participates in β ladder)trans-94.3133.6-179.4-63.3147.5-149.500110.7I210 I211 S212 N301 N333 I375I210-E303 PolarHBondContact O-N 2.84Å; I211-E303 CarbonylContact C-O 3.58Å; I211-E303 VanDerWaalsContact CA-O 3.29Å; I211-E303 WeakPolarHBondContact CA-O 3.08Å; I211-E303 HydrophobicContact CG1-CB 4.26Å; I211-E303 WeakPolarHBondContact CG2-O 3.13Å; S212-E303 WeakPolarHBondContact CB-O 2.93Å; S212-E303 PolarHBondContact N-O 3.31Å; N301-E303 PolarHBondContact ND2-OE1 2.83Å; E303-N333 CarbonylContact C-O 3.54Å; E303-N333 VanDerWaalsContact C-O 3.31Å; E303-N333 WeakPolarHBondContact CA-O 3.4Å; E303-I375 HydrophobicContact CB-CD1 3.8Å; E303-I375 HydrophobicContact CB-CG1 4.02Å
304Y84.1Confident81.1Confident17 Ų1758 Ų587%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-149.4150.6-172.949.7-82.9000112.5H275 D278 I302 I307 K331 A332 N333 N373H275-Y304 HydrophobicContact CB-CD1 3.35Å; H275-Y304 HydrophobicContact CB-CD2 3.3Å; H275-Y304 HydrophobicContact CB-CE1 3.67Å; H275-Y304 HydrophobicContact CB-CE2 3.56Å; H275-Y304 HydrophobicContact CB-CG 3.18Å; H275-Y304 AromaticContact CD2-CE2 3.71Å; D278-Y304 HydrophobicContact CB-CE1 4.29Å; I302-Y304 WeakPolarHBondContact O-CD1 3.42Å; I302-Y304 VanDerWaalsContact O-CE1 3.27Å; I302-Y304 WeakPolarHBondContact O-CE1 3.48Å; Y304-I307 HydrophobicContact CD2-CD1 4.25Å; Y304-K331 HydrophobicContact CE2-CD 4.44Å; Y304-K331 HydrophobicContact CE2-CG 3.97Å; Y304-K331 WeakPolarHBondContact CE2-O 3.18Å; Y304-K331 VanDerWaalsContact OH-CE 3.25Å; Y304-K331 WeakPolarHBondContact OH-CE 3.3Å; Y304-A332 VanDerWaalsContact CE2-C 3.43Å; Y304-A332 VanDerWaalsContact CE2-N 3.35Å; Y304-A332 VanDerWaalsContact CZ-C 3.44Å; Y304-N333 HydrophobicContact CD1-CB 3.7Å; Y304-N333 HydrophobicContact CE1-CB 3.27Å; Y304-N333 PolarHBondContact N-O 2.88Å; Y304-N333 PolarHBondContact O-N 2.84Å; Y304-N333 VanDerWaalsContact O-O 3.08Å; Y304-N373 PolarHBondContact O-ND2 2.96Å
305V86.5Confident80.8Confident59 Ų5958 Ų5836%0.35831%0.306SS..EExtended strand (participates in β ladder)trans-57.8154.3170.9-57.90000111.6I375V305-I375 HydrophobicContact CG1-CB 4.25Å; V305-I375 HydrophobicContact CG1-CG2 3.89Å
306P89Confident80.5Confident0 Ų058.9 Ų58.90%031%0.309CS..EExtended strand (participates in β ladder)trans-69.5140.2-177.8-20.937.9000111.3K331 A332 A336 A371 N373 G376 T378P306-K331 CarbonylContact C-O 3.54Å; P306-K331 WeakPolarHBondContact CA-O 3.45Å; P306-A332 HydrophobicContact CB-CB 3.91Å; P306-A332 HydrophobicContact CG-CB 3.93Å; P306-A336 HydrophobicContact CB-CB 3.62Å; P306-A336 HydrophobicContact CG-CB 3.52Å; P306-A371 HydrophobicContact CB-CB 3.64Å; P306-A371 HydrophobicContact CG-CB 4.44Å; P306-A371 WeakPolarHBondContact CG-O 3.36Å; P306-N373 WeakPolarHBondContact CD-OD1 3.25Å; P306-N373 HydrophobicContact CG-CB 3.92Å; P306-G376 WeakPolarHBondContact CD-O 3.24Å; P306-T378 WeakPolarHBondContact O-CB 3.17Å; P306-T378 PolarHBondContact O-OG1 2.86Å
307I86.6Confident80.3Confident59 Ų5959.3 Ų59.330%0.30331%0.305SS..EExtended strand (participates in β ladder)trans-114.5104.8-176.4-67.5158.9000109H275 Y304 S330 K331H275-I307 HydrophobicContact CB-CD1 4.27Å; H275-I307 WeakPolarHBondContact CD2-CD1 3.41Å; H275-I307 VanDerWaalsContact CG-CD1 3.47Å; H275-I307 WeakPolarHBondContact NE2-CD1 3.22Å; Y304-I307 HydrophobicContact CD2-CD1 4.25Å; I307-S330 WeakPolarHBondContact O-CA 3.29Å; I307-S330 WeakPolarHBondContact O-CB 3.48Å; I307-K331 PolarHBondContact N-O 2.98Å; I307-K331 PolarHBondContact O-N 3.03Å
308I88.2Confident80.1Confident17 Ų1756.7 Ų56.79%0.08729%0.293CS..EExtended strand (participates in β ladder)trans-76.5129176.9-66169.5000110.2C328 R329 C369 A371 T378 L380I308-C328 WeakPolarHBondContact CG2-SG 3.15Å; I308-R329 WeakPolarHBondContact CA-O 3.3Å; I308-C369 HydrophobicContact CD1-CB 4.15Å; I308-A371 HydrophobicContact CD1-CB 3.92Å; I308-A371 HydrophobicContact CG1-CB 3.71Å; I308-T378 HydrophobicContact CB-CG2 4.31Å; I308-T378 HydrophobicContact CD1-CG2 4.23Å; I308-T378 VanDerWaalsContact CD1-O 3.31Å; I308-T378 WeakPolarHBondContact CD1-O 3.22Å; I308-T378 HydrophobicContact CG1-CG2 4.26Å; I308-L380 HydrophobicContact CB-CB 4.42Å; I308-L380 HydrophobicContact CG2-CB 3.8Å; I308-L380 HydrophobicContact CG2-CD2 3.76Å; I308-L380 HydrophobicContact CG2-CG 4.44Å
309Y83.2Confident79.7Confident124 Ų12458.3 Ų58.349%0.48630%0.301SS..PPolyproline II helixtrans-73.4142.5173.2-65.1-85.4000111.7R329 L380Y309-R329 HydrophobicContact CD2-CB 3.72Å; Y309-R329 WeakPolarHBondContact CD2-O 3.46Å; Y309-R329 HydrophobicContact CE2-CB 4.32Å; Y309-R329 PolarHBondContact N-O 2.98Å; Y309-L380 WeakPolarHBondContact O-CD2 3.41Å
310P82.4Confident79.5Confident107 Ų10757.9 Ų57.970%0.69530%0.297SS*.PPolyproline II helixtrans-61.9150.8179.525.8-34.6000113.1
311F82.1Confident79.1Confident26 Ų2662.6 Ų62.611%0.11433%0.326CS..PPolyproline II helixtrans-80.4152.7175.4-48.7-46.5000111.5S313 Q326 C328 W340 C369 L380 L382F311-S313 PolarHBondContact O-N 2.78Å; F311-Q326 HydrophobicContact CD1-CG 3.82Å; F311-Q326 HydrophobicContact CE1-CG 4.2Å; F311-Q326 HydrophobicContact CG-CG 4.19Å; F311-C328 HydrophobicContact CE1-CB 4.3Å; F311-W340 HydrophobicContact CD1-CH2 4.13Å; F311-W340 AromaticContact CE1-CH2 3.34Å; F311-W340 HydrophobicContact CE1-CH2 3.34Å; F311-W340 AromaticContact CE1-CZ2 3.75Å; F311-W340 HydrophobicContact CE1-CZ2 3.75Å; F311-W340 HydrophobicContact CE1-CZ3 4.3Å; F311-W340 AromaticContact CE2-CH2 3.83Å; F311-W340 HydrophobicContact CE2-CH2 3.83Å; F311-W340 HydrophobicContact CE2-CZ3 4.12Å; F311-W340 AromaticContact CZ-CH2 3.15Å; F311-W340 HydrophobicContact CZ-CH2 3.15Å; F311-W340 AromaticContact CZ-CZ2 3.95Å; F311-W340 HydrophobicContact CZ-CZ2 3.95Å; F311-W340 AromaticContact CZ-CZ3 3.67Å; F311-W340 HydrophobicContact CZ-CZ3 3.67Å; F311-C369 HydrophobicContact CE1-CB 4.4Å; F311-C369 HydrophobicContact CZ-CB 3.84Å; F311-L380 HydrophobicContact CD1-CD2 4.03Å; F311-L380 HydrophobicContact CD2-CD2 3.77Å; F311-L380 HydrophobicContact CD2-CG 4.04Å; F311-L380 HydrophobicContact CE1-CD2 3.79Å; F311-L380 HydrophobicContact CE2-CB 4.16Å; F311-L380 HydrophobicContact CE2-CD2 3.54Å; F311-L380 HydrophobicContact CE2-CG 3.54Å; F311-L380 HydrophobicContact CG-CD2 4.02Å; F311-L380 HydrophobicContact CZ-CB 4.08Å; F311-L380 HydrophobicContact CZ-CD2 3.54Å; F311-L380 HydrophobicContact CZ-CG 3.83Å; F311-L382 HydrophobicContact CB-CD1 3.91Å; F311-L382 HydrophobicContact CD2-CB 3.63Å; F311-L382 HydrophobicContact CD2-CD1 3.74Å; F311-L382 HydrophobicContact CD2-CG 4.3Å; F311-L382 HydrophobicContact CE2-CB 3.71Å; F311-L382 HydrophobicContact CG-CD1 4.01Å
312E73.3Confident78.8Confident167 Ų16761 Ų6178%0.7832%0.318SS*.SBendtrans-73.5-7.6-170.2-66.3171.5-155.700114.5
313S69.7Low78.5Confident70 Ų7063.9 Ų63.949%0.4934%0.339SS..  trans-150.4134.4177.9-76.40000111.9F311 A315F311-S313 PolarHBondContact O-N 2.78Å; S313-A315 VanDerWaalsContact C-N 3.27Å; S313-A315 PolarHBondContact O-N 2.91Å
314N62.4Low78.4Confident160 Ų16062.7 Ų62.786%0.85633%0.333SS*.SBendtrans-60.2-35.4-177.9-67.3-9.2000113.1L383N314-L383 WeakPolarHBondContact O-CB 3.32Å
315A73.5Confident78.3Confident38 Ų3867.7 Ų67.731%0.31436%0.355SS..EExtended strand (participates in β ladder)trans-146.9130.5175.100000109.9S313 L383S313-A315 VanDerWaalsContact C-N 3.27Å; S313-A315 PolarHBondContact O-N 2.91Å; A315-L383 CarbonylContact C-O 3.44Å; A315-L383 VanDerWaalsContact CA-O 3.28Å; A315-L383 WeakPolarHBondContact CA-O 3.48Å; A315-L383 HydrophobicContact CB-CB 3.94Å; A315-L383 HydrophobicContact CB-CD2 3.91Å; A315-L383 HydrophobicContact CB-CG 3.77Å
316I75.8Confident78.3Confident32 Ų3266.1 Ų66.116%0.16434%0.344CS..EExtended strand (participates in β ladder)trans-86.1112.3172.4-45.2-177.6000107.7V318 F324 L382 L383 V384 D385I316-V318 HydrophobicContact CB-CG2 4.15Å; I316-V318 HydrophobicContact CG2-CG2 3.48Å; I316-V318 VanDerWaalsContact CG2-CG2 3.48Å; I316-F324 HydrophobicContact CD1-CD2 3.47Å; I316-F324 VanDerWaalsContact CD1-CD2 3.47Å; I316-F324 HydrophobicContact CD1-CE2 3.82Å; I316-F324 HydrophobicContact CD1-CG 4.07Å; I316-L382 HydrophobicContact CD1-CD1 4.05Å; I316-L382 HydrophobicContact CD1-CD2 3.9Å; I316-L382 HydrophobicContact CD1-CG 4.28Å; I316-L382 HydrophobicContact CG1-CD1 4.11Å; I316-L382 HydrophobicContact CG1-CG 4.48Å; I316-L383 PolarHBondContact N-O 2.89Å; I316-V384 WeakPolarHBondContact O-CA 3.47Å; I316-D385 PolarHBondContact O-N 3.3Å
317R74.9Confident78.1Confident138 Ų13868.4 Ų68.452%0.52136%0.358SS..EExtended strand (participates in β ladder)trans-85.8119.1173.2-73.7-170.4-65177.91.6110.1D385 L480 Q484R317-D385 WeakPolarHBondContact CA-O 3.26Å; R317-D385 WeakPolarHBondContact CD-OD2 3.17Å; R317-D385 HydrophobicContact CG-CB 3.99Å; R317-D385 WeakPolarHBondContact CG-OD2 3.14Å; R317-L480 HydrophobicContact CB-CD1 4.17Å; R317-Q484 PolarHBondContact O-NE2 2.81Å
318V75.1Confident78.2Confident2 Ų265.6 Ų65.61%0.01234%0.343CS..EExtended strand (participates in β ladder)trans-134.4135.6-168.4-171.40000109.6I316 T322 F324 V359 V384 D385 V386I316-V318 HydrophobicContact CB-CG2 4.15Å; I316-V318 HydrophobicContact CG2-CG2 3.48Å; I316-V318 VanDerWaalsContact CG2-CG2 3.48Å; V318-T322 WeakPolarHBondContact CG1-OG1 3.37Å; V318-F324 HydrophobicContact CG2-CD1 4.46Å; V318-V359 HydrophobicContact CB-CB 4.41Å; V318-V359 HydrophobicContact CB-CG1 4.16Å; V318-V359 HydrophobicContact CB-CG2 4.41Å; V318-V359 HydrophobicContact CG1-CB 3.84Å; V318-V359 HydrophobicContact CG1-CG1 4.13Å; V318-V359 HydrophobicContact CG1-CG2 3.83Å; V318-V384 HydrophobicContact CG2-CG1 4.21Å; V318-D385 PolarHBondContact N-O 3.49Å; V318-V386 WeakPolarHBondContact O-CA 3.35Å
319L73.1Confident78.1Confident44 Ų4471.5 Ų71.523%0.2337%0.365CS..EExtended strand (participates in β ladder)trans-72.9142.2173.7-81.1162.2000110.6T321 T322L319-T321 PolarHBondContact O-N 3.45Å; L319-T322 HydrophobicContact CB-CG2 4.2Å; L319-T322 PolarHBondContact O-N 2.89Å; L319-T322 VanDerWaalsContact O-N 3.09Å; L319-T322 PolarHBondContact O-OG1 2.98Å; L319-T322 VanDerWaalsContact O-OG1 3.06Å
320E75Confident78.2Confident51 Ų5166.9 Ų66.924%0.23835%0.35CS..THydrogen-bonded Turntrans-54.6132.1173.9-179.7150.8-11000110.1V359 S360 R361 V386E320-V359 CarbonylContact C-O 3.56Å; E320-V359 WeakPolarHBondContact CA-O 3.47Å; E320-S360 WeakPolarHBondContact OE1-CA 3.36Å; E320-S360 WeakPolarHBondContact OE1-CB 3.17Å; E320-S360 PolarHBondContact OE1-OG 2.97Å; E320-R361 PolarHBondContact OE1-N 2.8Å; E320-R361 IonicContact OE1-NE 3.35Å; E320-R361 IonicContact OE2-CZ 3.83Å; E320-R361 IonicContact OE2-NE 2.75Å; E320-R361 PolarHBondContact OE2-NE 2.9Å; E320-R361 VanDerWaalsContact OE2-NE 3.07Å; E320-R361 IonicContact OE2-NH2 3.77Å; E320-R361 PolarHBondContact OE2-NH2 2.88Å; E320-V386 HydrophobicContact CB-CG1 4Å
321T73.9Confident78.3Confident101 Ų10164.8 Ų64.862%0.6233%0.33SS*.THydrogen-bonded Turntrans810.2-170.571.70000119.2L319 H358 V359L319-T321 PolarHBondContact O-N 3.45Å; T321-H358 PolarHBondContact O-CD2 3.26Å; T321-V359 PolarHBondContact N-O 2.85Å
322T76.1Confident78.4Confident25 Ų2564.4 Ų64.415%0.15333%0.332CS..  trans-96.3-176.6177.870.60000113.8V318 L319 H358 V359 L486V318-T322 WeakPolarHBondContact CG1-OG1 3.37Å; L319-T322 HydrophobicContact CB-CG2 4.2Å; L319-T322 PolarHBondContact O-N 2.89Å; L319-T322 VanDerWaalsContact O-N 3.09Å; L319-T322 PolarHBondContact O-OG1 2.98Å; L319-T322 VanDerWaalsContact O-OG1 3.06Å; T322-H358 CarbonylContact O-C 3.28Å; T322-H358 VanDerWaalsContact O-CA 3.24Å; T322-H358 WeakPolarHBondContact O-CA 3.35Å; T322-H358 PolarHBondContact O-N 2.89Å; T322-V359 PolarHBondContact O-N 2.9Å; T322-L486 HydrophobicContact CG2-CD1 3.92Å; T322-L486 HydrophobicContact CG2-CD2 4.39Å
323S77.7Confident78.8Confident61 Ų6158 Ų5843%0.42730%0.303SS..  trans-128153.6-168.6-570000113.7I356 H357S323-I356 CarbonylContact C-O 3.38Å; S323-I356 VanDerWaalsContact CA-O 3.24Å; S323-I356 WeakPolarHBondContact CA-O 3.5Å; S323-I356 WeakPolarHBondContact CB-O 3.34Å; S323-H357 WeakPolarHBondContact CB-ND1 3.5Å; S323-H357 WeakPolarHBondContact OG-CA 3.14Å; S323-H357 PolarHBondContact OG-ND1 3.21Å
324F82.9Confident79.5Confident18 Ų1856.2 Ų56.28%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-146.4162.6171.578.4-89.7000112.6I316 V318 L354 I356 V359 Y367 L382 V384I316-F324 HydrophobicContact CD1-CD2 3.47Å; I316-F324 VanDerWaalsContact CD1-CD2 3.47Å; I316-F324 HydrophobicContact CD1-CE2 3.82Å; I316-F324 HydrophobicContact CD1-CG 4.07Å; V318-F324 HydrophobicContact CG2-CD1 4.46Å; F324-L354 HydrophobicContact CE2-CD2 3.97Å; F324-L354 HydrophobicContact CZ-CD2 4.32Å; F324-I356 HydrophobicContact CD1-CB 3.89Å; F324-I356 HydrophobicContact CD1-CG2 4.14Å; F324-I356 HydrophobicContact CE1-CB 3.57Å; F324-I356 HydrophobicContact CE1-CG1 3.82Å; F324-I356 HydrophobicContact CE1-CG2 3.67Å; F324-I356 HydrophobicContact CE2-CB 4.42Å; F324-I356 HydrophobicContact CE2-CG1 4.11Å; F324-I356 HydrophobicContact CG-CB 4.46Å; F324-I356 HydrophobicContact CZ-CB 3.86Å; F324-I356 HydrophobicContact CZ-CG1 3.58Å; F324-I356 HydrophobicContact CZ-CG2 4.31Å; F324-I356 PolarHBondContact N-O 3.26Å; F324-I356 PolarHBondContact O-N 3.02Å; F324-I356 VanDerWaalsContact O-O 3.13Å; F324-V359 HydrophobicContact CD1-CG2 3.63Å; F324-V359 HydrophobicContact CE1-CG2 3.78Å; F324-Y367 HydrophobicContact CE1-CE2 4.24Å; F324-Y367 AromaticContact CZ-CD2 3.93Å; F324-Y367 HydrophobicContact CZ-CD2 3.93Å; F324-Y367 AromaticContact CZ-CE2 3.68Å; F324-Y367 HydrophobicContact CZ-CE2 3.68Å; F324-L382 HydrophobicContact CE2-CD2 3.86Å; F324-L382 HydrophobicContact CZ-CD2 4.48Å; F324-V384 HydrophobicContact CE1-CG1 4.32Å; F324-V384 HydrophobicContact CE1-CG2 3.91Å; F324-V384 HydrophobicContact CZ-CG2 3.74Å
325K82.4Confident80.6Confident122 Ų12253.9 Ų53.953%0.5329%0.286SS..EExtended strand (participates in β ladder)trans-131.4150.6173.7-45.5-160.9-176.8-137.60110.3L353 L354 D355K325-L353 HydrophobicContact CB-CD1 4.45Å; K325-L354 CarbonylContact C-O 3.57Å; K325-L354 VanDerWaalsContact CA-O 3.32Å; K325-L354 WeakPolarHBondContact CA-O 3.16Å; K325-D355 WeakPolarHBondContact CD-OD1 3.3Å; K325-D355 WeakPolarHBondContact CE-OD1 3.39Å; K325-D355 VanDerWaalsContact CG-OD1 3.29Å; K325-D355 WeakPolarHBondContact CG-OD1 3.48Å; K325-D355 IonicContact NZ-OD1 2.69Å; K325-D355 PolarHBondContact NZ-OD1 3.42Å; K325-D355 IonicContact NZ-OD2 3.24Å; K325-D355 PolarHBondContact NZ-OD2 2.03Å
326Q85.8Confident81.2Confident26 Ų2653.4 Ų53.412%0.12128%0.282CS..EExtended strand (participates in β ladder)trans-144.2128.1172.6-175.55965.500110.6F311 W340 L354 L382F311-Q326 HydrophobicContact CD1-CG 3.82Å; F311-Q326 HydrophobicContact CE1-CG 4.2Å; F311-Q326 HydrophobicContact CG-CG 4.19Å; Q326-W340 HydrophobicContact CB-CH2 3.98Å; Q326-W340 HydrophobicContact CB-CZ2 3.98Å; Q326-W340 HydrophobicContact CG-CH2 3.44Å; Q326-W340 VanDerWaalsContact CG-CH2 3.44Å; Q326-W340 HydrophobicContact CG-CZ2 3.59Å; Q326-W340 WeakPolarHBondContact O-CZ2 3.45Å; Q326-L354 HydrophobicContact CB-CB 4.4Å; Q326-L354 HydrophobicContact CB-CD2 4.41Å; Q326-L354 PolarHBondContact N-O 2.94Å; Q326-L354 VanDerWaalsContact O-CB 3.3Å; Q326-L354 WeakPolarHBondContact O-CB 3.26Å; Q326-L354 PolarHBondContact O-N 3.48Å; Q326-L382 HydrophobicContact CB-CD2 4Å; Q326-L382 HydrophobicContact CG-CD1 4.42Å; Q326-L382 HydrophobicContact CG-CD2 4.04Å
327V86.1Confident81.7Confident48 Ų4859.2 Ų59.229%0.29131%0.309SS..EExtended strand (participates in β ladder)trans-94.7136.9172.1-1790000109.3R329 S352 L353V327-R329 HydrophobicContact CG1-CG 3.93Å; V327-S352 CarbonylContact C-O 3.55Å; V327-S352 WeakPolarHBondContact CA-O 2.9Å; V327-L353 HydrophobicContact CG2-CD1 3.7Å
328C87.5Confident82.3Confident0 Ų054.3 Ų54.30%029%0.293CS..  trans-107.4129.1167.5177.60000109.1I308 F311 I338 W340 S352 C369I308-C328 WeakPolarHBondContact CG2-SG 3.15Å; F311-C328 HydrophobicContact CE1-CB 4.3Å; C328-I338 HydrophobicContact CB-CG2 4.27Å; C328-W340 HydrophobicContact CB-CH2 4.45Å; C328-W340 HydrophobicContact CB-CZ2 3.5Å; C328-S352 PolarHBondContact N-O 3.03Å; C328-S352 WeakPolarHBondContact O-CB 3.45Å; C328-C369 HydrophobicContact CB-CB 3.46Å; C328-C369 VanDerWaalsContact CB-CB 3.46Å; C328-C369 WeakPolarHBondContact CB-SG 3.28Å; C328-C369 WeakPolarHBondContact SG-CB 3.49Å; C328-C369 CovalentContact SG-SG 2Å; C328-C369 PolarHBondContact SG-SG 2.63Å
329R86.8Confident82.9Confident142 Ų14257 Ų5754%0.53630%0.303SS..  trans-118.2144177.6-59.6178.1-176.291.9-2.7107.1I308 Y309 V327I308-R329 WeakPolarHBondContact CA-O 3.3Å; Y309-R329 HydrophobicContact CD2-CB 3.72Å; Y309-R329 WeakPolarHBondContact CD2-O 3.46Å; Y309-R329 HydrophobicContact CE2-CB 4.32Å; Y309-R329 PolarHBondContact N-O 2.98Å; V327-R329 HydrophobicContact CG1-CG 3.93Å
330S85.4Confident83.6Confident26 Ų2654.9 Ų54.918%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-138.7157170.6900000112.6I307 I338I307-S330 WeakPolarHBondContact O-CA 3.29Å; I307-S330 WeakPolarHBondContact O-CB 3.48Å; S330-I338 VanDerWaalsContact OG-CD1 3.27Å; S330-I338 WeakPolarHBondContact OG-CD1 3.01Å; S330-I338 WeakPolarHBondContact OG-CG1 3.32Å
331K84Confident84.2Confident63 Ų6352.7 Ų52.727%0.27428%0.282SS..EExtended strand (participates in β ladder)trans-119.1132.3175.1-174.8-168.2159.6-164.60108H275 Y304 P306 I307H275-K331 VanDerWaalsContact CD2-CE 3.41Å; H275-K331 WeakPolarHBondContact CD2-CE 3.33Å; H275-K331 PolarHBondContact CD2-NZ 3.35Å; H275-K331 PolarHBondContact NE2-NZ 2.89Å; H275-K331 VanDerWaalsContact NE2-NZ 3.2Å; H275-K331 WeakPolarHBondContact O-CE 3.5Å; H275-K331 PolarHBondContact O-NZ 3.5Å; Y304-K331 HydrophobicContact CE2-CD 4.44Å; Y304-K331 HydrophobicContact CE2-CG 3.97Å; Y304-K331 WeakPolarHBondContact CE2-O 3.18Å; Y304-K331 VanDerWaalsContact OH-CE 3.25Å; Y304-K331 WeakPolarHBondContact OH-CE 3.3Å; P306-K331 CarbonylContact C-O 3.54Å; P306-K331 WeakPolarHBondContact CA-O 3.45Å; I307-K331 PolarHBondContact N-O 2.98Å; I307-K331 PolarHBondContact O-N 3.03Å
332A83.9Confident84.7Confident19 Ų1948.4 Ų48.416%0.15726%0.255CS..EExtended strand (participates in β ladder)trans-155.5152.8-17500000112.4Y304 P306 P334 A336Y304-A332 VanDerWaalsContact CE2-C 3.43Å; Y304-A332 VanDerWaalsContact CE2-N 3.35Å; Y304-A332 VanDerWaalsContact CZ-C 3.44Å; P306-A332 HydrophobicContact CB-CB 3.91Å; P306-A332 HydrophobicContact CG-CB 3.93Å; A332-P334 CarbonylContact C-O 3.53Å; A332-P334 WeakPolarHBondContact CB-O 3.12Å; A332-A336 HydrophobicContact CB-CB 3.5Å; A332-A336 VanDerWaalsContact CB-CB 3.5Å
333N82.4Confident84.8Confident31 Ų3152.1 Ų52.117%0.16627%0.271CS..EExtended strand (participates in β ladder)trans-140.1123.4163.8-176.2-3.6000108.6D278 N301 I302 E303 Y304 N373D278-N333 PolarHBondContact OD1-ND2 2.82Å; D278-N333 PolarHBondContact OD2-ND2 2.97Å; N301-N333 PolarHBondContact OD1-ND2 3.35Å; I302-N333 WeakPolarHBondContact O-CB 3.47Å; I302-N333 PolarHBondContact O-ND2 3.25Å; I302-N333 VanDerWaalsContact O-ND2 3.13Å; E303-N333 CarbonylContact C-O 3.54Å; E303-N333 VanDerWaalsContact C-O 3.31Å; E303-N333 WeakPolarHBondContact CA-O 3.4Å; Y304-N333 HydrophobicContact CD1-CB 3.7Å; Y304-N333 HydrophobicContact CE1-CB 3.27Å; Y304-N333 PolarHBondContact N-O 2.88Å; Y304-N333 PolarHBondContact O-N 2.84Å; Y304-N333 VanDerWaalsContact O-O 3.08Å; N333-N373 PolarHBondContact O-ND2 2.76Å
334P84.7Confident84.9Confident34 Ų3454.8 Ų54.822%0.22128%0.28CS..SBendcis-55.8168-11.1-24.437.2000112.5A332 N373 E374A332-P334 CarbonylContact C-O 3.53Å; A332-P334 WeakPolarHBondContact CB-O 3.12Å; P334-N373 WeakPolarHBondContact O-CB 3.42Å; P334-N373 PolarHBondContact O-ND2 3.36Å; P334-E374 HydrophobicContact CG-CB 4.27Å; P334-E374 HydrophobicContact CG-CG 4.37Å
335S84.3Confident84.7Confident111 Ų11160 Ų6078%0.77631%0.305SS*.PPolyproline II helixtrans-56.5144.2-174.7-61.90000113.6
336A87.1Confident84.6Confident28 Ų2858.6 Ų58.623%0.23130%0.303CS..PPolyproline II helixtrans-96.9143.2-179.300000114.1P306 A332 S372 N373P306-A336 HydrophobicContact CB-CB 3.62Å; P306-A336 HydrophobicContact CG-CB 3.52Å; A332-A336 HydrophobicContact CB-CB 3.5Å; A332-A336 VanDerWaalsContact CB-CB 3.5Å; A336-S372 CarbonylContact C-O 3.55Å; A336-S372 VanDerWaalsContact CA-O 3.28Å; A336-S372 WeakPolarHBondContact CA-O 3.25Å; A336-N373 HydrophobicContact CB-CB 4.38Å
337Q85.7Confident84.2Confident153 Ų15361.9 Ų61.972%0.71532%0.321SS*.EExtended strand (participates in β ladder)trans-82.9129.3161.1-58.8-179.88.800108.1A371 S372Q337-A371 CarbonylContact O-C 3.41Å; Q337-A371 VanDerWaalsContact O-CA 3.26Å; Q337-A371 WeakPolarHBondContact O-CA 3.26Å; Q337-S372 PolarHBondContact N-O 3.35Å; Q337-S372 PolarHBondContact O-N 3.22Å
338I88.3Confident84.2Confident36 Ų3662.4 Ų62.419%0.18532%0.324CS..EExtended strand (participates in β ladder)trans-120.3126.7-176.8-52171.3000109.1C328 S330 N351 V370 A371C328-I338 HydrophobicContact CB-CG2 4.27Å; S330-I338 VanDerWaalsContact OG-CD1 3.27Å; S330-I338 WeakPolarHBondContact OG-CD1 3.01Å; S330-I338 WeakPolarHBondContact OG-CG1 3.32Å; I338-N351 CarbonylContact O-C 3.59Å; I338-N351 WeakPolarHBondContact O-CA 3.22Å; I338-V370 WeakPolarHBondContact CA-O 3.41Å; I338-A371 HydrophobicContact CG1-CB 4.08Å; I338-A371 HydrophobicContact CG2-CB 4.46Å
339Y86.8Confident84.2Confident57 Ų5763.6 Ų63.622%0.22433%0.333CS..EExtended strand (participates in β ladder)trans-143.6163.6-176.760.5-83.3000111.7V341 L347 S349 C369 V370 E377Y339-V341 HydrophobicContact CD2-CG1 3.75Å; Y339-V341 HydrophobicContact CE2-CG1 3.81Å; Y339-L347 HydrophobicContact CD2-CD1 3.47Å; Y339-L347 VanDerWaalsContact CD2-CD1 3.47Å; Y339-L347 HydrophobicContact CE2-CD1 4.39Å; Y339-L347 HydrophobicContact CG-CD1 3.94Å; Y339-S349 CarbonylContact C-O 3.39Å; Y339-S349 WeakPolarHBondContact CA-O 3.08Å; Y339-S349 WeakPolarHBondContact CB-O 3.46Å; Y339-C369 PolarHBondContact O-SG 2.89Å; Y339-C369 VanDerWaalsContact O-SG 3.41Å; Y339-V370 HydrophobicContact CD1-CB 4.21Å; Y339-V370 HydrophobicContact CD2-CB 3.97Å; Y339-V370 HydrophobicContact CD2-CG2 4.34Å; Y339-V370 HydrophobicContact CE1-CB 3.83Å; Y339-V370 HydrophobicContact CE1-CG1 3.72Å; Y339-V370 HydrophobicContact CE2-CB 3.59Å; Y339-V370 HydrophobicContact CE2-CG1 3.96Å; Y339-V370 HydrophobicContact CE2-CG2 3.88Å; Y339-V370 HydrophobicContact CG-CB 4.27Å; Y339-V370 PolarHBondContact N-O 2.87Å; Y339-V370 PolarHBondContact O-N 2.8Å; Y339-V370 VanDerWaalsContact OH-CG1 3.28Å; Y339-V370 WeakPolarHBondContact OH-CG1 3.29Å; Y339-E377 PolarHBondContact OH-OE2 2.85Å
340W89.3Confident84Confident0 Ų062.3 Ų62.30%034%0.337CS..EExtended strand (participates in β ladder)trans-114.6138.3176.8-79.194.6000111.5F311 Q326 C328 L347 V348 S349 S352 L354 C369F311-W340 HydrophobicContact CD1-CH2 4.13Å; F311-W340 AromaticContact CE1-CH2 3.34Å; F311-W340 HydrophobicContact CE1-CH2 3.34Å; F311-W340 AromaticContact CE1-CZ2 3.75Å; F311-W340 HydrophobicContact CE1-CZ2 3.75Å; F311-W340 HydrophobicContact CE1-CZ3 4.3Å; F311-W340 AromaticContact CE2-CH2 3.83Å; F311-W340 HydrophobicContact CE2-CH2 3.83Å; F311-W340 HydrophobicContact CE2-CZ3 4.12Å; F311-W340 AromaticContact CZ-CH2 3.15Å; F311-W340 HydrophobicContact CZ-CH2 3.15Å; F311-W340 AromaticContact CZ-CZ2 3.95Å; F311-W340 HydrophobicContact CZ-CZ2 3.95Å; F311-W340 AromaticContact CZ-CZ3 3.67Å; F311-W340 HydrophobicContact CZ-CZ3 3.67Å; Q326-W340 HydrophobicContact CB-CH2 3.98Å; Q326-W340 HydrophobicContact CB-CZ2 3.98Å; Q326-W340 HydrophobicContact CG-CH2 3.44Å; Q326-W340 VanDerWaalsContact CG-CH2 3.44Å; Q326-W340 HydrophobicContact CG-CZ2 3.59Å; Q326-W340 WeakPolarHBondContact O-CZ2 3.45Å; C328-W340 HydrophobicContact CB-CH2 4.45Å; C328-W340 HydrophobicContact CB-CZ2 3.5Å; W340-L347 CarbonylContact O-C 3.41Å; W340-L347 WeakPolarHBondContact O-CA 3.45Å; W340-V348 PolarHBondContact O-N 3.24Å; W340-S349 PolarHBondContact N-O 2.85Å; W340-S349 PolarHBondContact O-N 2.97Å; W340-S352 PolarHBondContact NE1-O 3.17Å; W340-L354 HydrophobicContact CB-CB 4.48Å; W340-L354 HydrophobicContact CB-CD1 4.09Å; W340-L354 HydrophobicContact CD2-CB 3.68Å; W340-L354 HydrophobicContact CD2-CD1 4.44Å; W340-L354 HydrophobicContact CD2-CD2 4.23Å; W340-L354 HydrophobicContact CD2-CG 4.34Å; W340-L354 HydrophobicContact CE3-CB 4.21Å; W340-L354 HydrophobicContact CE3-CD2 3.89Å; W340-L354 HydrophobicContact CE3-CG 4.45Å; W340-L354 HydrophobicContact CG-CB 3.81Å; W340-L354 HydrophobicContact CG-CD1 4.28Å; W340-L354 HydrophobicContact CH2-CD2 4.35Å; W340-L354 HydrophobicContact CZ2-CB 4.13Å; W340-L354 HydrophobicContact CZ3-CD2 3.96Å; W340-C369 HydrophobicContact CD2-CB 3.9Å; W340-C369 HydrophobicContact CE3-CB 3.85Å; W340-C369 HydrophobicContact CH2-CB 4.09Å; W340-C369 HydrophobicContact CZ2-CB 4.11Å; W340-C369 HydrophobicContact CZ3-CB 3.95Å
341V86.7Confident84Confident5 Ų566 Ų663%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-127.3164.2171-47.70000113Y339 Q345 N346 L347 Y367 K368 V370Y339-V341 HydrophobicContact CD2-CG1 3.75Å; Y339-V341 HydrophobicContact CE2-CG1 3.81Å; V341-Q345 HydrophobicContact CG2-CB 4.27Å; V341-N346 CarbonylContact C-O 3.57Å; V341-N346 WeakPolarHBondContact CA-O 3.46Å; V341-N346 WeakPolarHBondContact CB-O 3.4Å; V341-L347 HydrophobicContact CG1-CD1 4.5Å; V341-Y367 CarbonylContact O-C 3.1Å; V341-Y367 WeakPolarHBondContact O-CA 3.27Å; V341-K368 HydrophobicContact CG2-CB 3.76Å; V341-K368 HydrophobicContact CG2-CD 3.72Å; V341-K368 HydrophobicContact CG2-CG 4.14Å; V341-K368 WeakPolarHBondContact CG2-O 3.28Å; V341-K368 PolarHBondContact N-O 2.83Å; V341-K368 PolarHBondContact O-N 2.95Å; V341-V370 HydrophobicContact CG1-CG2 4.34Å; V341-V370 HydrophobicContact CG2-CG2 4.02Å
342D84Confident84.1Confident12 Ų1265.6 Ų65.66%0.06436%0.359CS..EExtended strand (participates in β ladder)trans-91.7-168.4172.272.6-6.6000112N344 Q345 N346 V348 P364 Y366 Y367D342-N344 PolarHBondContact O-N 3.42Å; D342-N344 VanDerWaalsContact OD1-CA 3.31Å; D342-N344 WeakPolarHBondContact OD1-CA 3.37Å; D342-N344 WeakPolarHBondContact OD1-CB 3.36Å; D342-N344 PolarHBondContact OD1-N 2.99Å; D342-N344 PolarHBondContact OD2-ND2 2.92Å; D342-Q345 PolarHBondContact O-N 3.17Å; D342-Q345 VanDerWaalsContact O-N 3.15Å; D342-Q345 PolarHBondContact OD1-N 3.15Å; D342-N346 PolarHBondContact N-O 2.74Å; D342-N346 VanDerWaalsContact N-O 3.17Å; D342-N346 WeakPolarHBondContact OD1-CB 3.43Å; D342-N346 PolarHBondContact OD1-N 2.74Å; D342-N346 PolarHBondContact OD1-ND2 3.13Å; D342-N346 PolarHBondContact OD2-ND2 2.64Å; D342-V348 HydrophobicContact CB-CG2 3.95Å; D342-P364 HydrophobicContact CB-CB 4.05Å; D342-P364 HydrophobicContact CB-CG 4.01Å; D342-Y366 CarbonylContact C-O 3.45Å; D342-Y367 HydrophobicContact CB-CD1 4.34Å; D342-Y367 HydrophobicContact CB-CE1 4.4Å
343E78.2Confident84.3Confident102 Ų10268.1 Ų68.148%0.47737%0.37SS..THydrogen-bonded Turntrans-56.4-35171.7-80.3-175.797.400113.6Q345 K365 Y366E343-Q345 PolarHBondContact O-N 2.81Å; E343-K365 WeakPolarHBondContact OE2-CB 3.41Å; E343-K365 PolarHBondContact OE2-N 3.23Å; E343-Y366 HydrophobicContact CG-CD2 3.95Å; E343-Y366 HydrophobicContact CG-CG 4.34Å; E343-Y366 PolarHBondContact N-O 2.82Å; E343-Y366 VanDerWaalsContact N-O 3.09Å; E343-Y366 WeakPolarHBondContact OE1-CD2 3.48Å; E343-Y366 PolarHBondContact OE2-N 2.85Å
344N80.1Confident84.5Confident118 Ų11866.7 Ų66.763%0.63136%0.362SS*.THydrogen-bonded Turntrans-82.8-2-178.7-47.5-67.5000112.6D342 N346D342-N344 PolarHBondContact O-N 3.42Å; D342-N344 VanDerWaalsContact OD1-CA 3.31Å; D342-N344 WeakPolarHBondContact OD1-CA 3.37Å; D342-N344 WeakPolarHBondContact OD1-CB 3.36Å; D342-N344 PolarHBondContact OD1-N 2.99Å; D342-N344 PolarHBondContact OD2-ND2 2.92Å; N344-N346 VanDerWaalsContact C-N 3.3Å
345Q79.4Confident84.4Confident127 Ų12768 Ų6859%0.59337%0.367SS*.  trans69.619.4-173-43.8-167.98300114.6V341 D342 E343 L347V341-Q345 HydrophobicContact CG2-CB 4.27Å; D342-Q345 PolarHBondContact O-N 3.17Å; D342-Q345 VanDerWaalsContact O-N 3.15Å; D342-Q345 PolarHBondContact OD1-N 3.15Å; E343-Q345 PolarHBondContact O-N 2.81Å; Q345-L347 PolarHBondContact O-N 3.05Å
346N80.1Confident84.4Confident93 Ų9363.6 Ų63.650%0.49734%0.335SS..  trans-66.8129.3172.4-64.2-46.1000110.7V341 D342 N344 V348V341-N346 CarbonylContact C-O 3.57Å; V341-N346 WeakPolarHBondContact CA-O 3.46Å; V341-N346 WeakPolarHBondContact CB-O 3.4Å; D342-N346 PolarHBondContact N-O 2.74Å; D342-N346 VanDerWaalsContact N-O 3.17Å; D342-N346 WeakPolarHBondContact OD1-CB 3.43Å; D342-N346 PolarHBondContact OD1-N 2.74Å; D342-N346 PolarHBondContact OD1-ND2 3.13Å; D342-N346 PolarHBondContact OD2-ND2 2.64Å; N344-N346 VanDerWaalsContact C-N 3.3Å; N346-V348 VanDerWaalsContact O-CG2 3.24Å; N346-V348 WeakPolarHBondContact O-CG2 3.15Å; N346-V348 PolarHBondContact O-N 3.28Å
347L78.3Confident84Confident95 Ų9567.5 Ų67.550%0.49735%0.348SS..EExtended strand (participates in β ladder)trans-65.587.4178.2-169.569000112.4Y339 W340 V341 Q345 S349 N350Y339-L347 HydrophobicContact CD2-CD1 3.47Å; Y339-L347 VanDerWaalsContact CD2-CD1 3.47Å; Y339-L347 HydrophobicContact CE2-CD1 4.39Å; Y339-L347 HydrophobicContact CG-CD1 3.94Å; W340-L347 CarbonylContact O-C 3.41Å; W340-L347 WeakPolarHBondContact O-CA 3.45Å; V341-L347 HydrophobicContact CG1-CD1 4.5Å; Q345-L347 PolarHBondContact O-N 3.05Å; L347-S349 VanDerWaalsContact C-N 3.28Å; L347-S349 WeakPolarHBondContact CD1-O 3.31Å; L347-S349 PolarHBondContact O-N 2.88Å; L347-N350 HydrophobicContact CD2-CB 4.01Å; L347-N350 HydrophobicContact CG-CB 4.48Å
348V85.4Confident83.6Confident59 Ų5967 Ų6736%0.35835%0.345SS..EExtended strand (participates in β ladder)trans-74.9-20.7179.2-153.20000111.9W340 D342 N346 L354 I356 Y367W340-V348 PolarHBondContact O-N 3.24Å; D342-V348 HydrophobicContact CB-CG2 3.95Å; N346-V348 VanDerWaalsContact O-CG2 3.24Å; N346-V348 WeakPolarHBondContact O-CG2 3.15Å; N346-V348 PolarHBondContact O-N 3.28Å; V348-L354 HydrophobicContact CB-CD1 3.73Å; V348-L354 HydrophobicContact CG1-CD1 3.68Å; V348-L354 HydrophobicContact CG2-CD1 4.45Å; V348-I356 HydrophobicContact CG1-CD1 3.82Å; V348-Y367 HydrophobicContact CG1-CE1 4.21Å; V348-Y367 HydrophobicContact CG2-CD1 4.06Å; V348-Y367 HydrophobicContact CG2-CE1 4.07Å
349S86.6Confident83.1Confident25 Ų2565.6 Ų65.618%0.17534%0.339CS..EExtended strand (participates in β ladder)trans-155.9132.7166.7-1720000109.7Y339 W340 L347 N351 L353Y339-S349 CarbonylContact C-O 3.39Å; Y339-S349 WeakPolarHBondContact CA-O 3.08Å; Y339-S349 WeakPolarHBondContact CB-O 3.46Å; W340-S349 PolarHBondContact N-O 2.85Å; W340-S349 PolarHBondContact O-N 2.97Å; L347-S349 VanDerWaalsContact C-N 3.28Å; L347-S349 WeakPolarHBondContact CD1-O 3.31Å; L347-S349 PolarHBondContact O-N 2.88Å; S349-N351 PolarHBondContact O-N 2.74Å; S349-N351 PolarHBondContact OG-N 2.79Å; S349-N351 PolarHBondContact OG-O 3.44Å; S349-L353 WeakPolarHBondContact CB-O 3.35Å; S349-L353 PolarHBondContact OG-O 2.98Å
350N82.9Confident82.7Confident115 Ų11564.8 Ų64.862%0.61534%0.341SS*.SBendtrans-783.3171.5-159.734.6000112.9L347L347-N350 HydrophobicContact CD2-CB 4.01Å; L347-N350 HydrophobicContact CG-CB 4.48Å
351N85.3Confident82.1Confident104 Ų10467.1 Ų67.156%0.55635%0.35SS*.SBendtrans-125.2175.2-174.9-62.21.2000110I338 S349 L353I338-N351 CarbonylContact O-C 3.59Å; I338-N351 WeakPolarHBondContact O-CA 3.22Å; S349-N351 PolarHBondContact O-N 2.74Å; S349-N351 PolarHBondContact OG-N 2.79Å; S349-N351 PolarHBondContact OG-O 3.44Å; N351-L353 PolarHBondContact O-N 2.77Å; N351-L353 VanDerWaalsContact O-N 3.11Å
352S86.7Confident81.7Confident53 Ų5373.9 Ų73.937%0.37139%0.386SS..SBendtrans-61.6-12.5176.745.40000116.5V327 C328 W340V327-S352 CarbonylContact C-O 3.55Å; V327-S352 WeakPolarHBondContact CA-O 2.9Å; C328-S352 PolarHBondContact N-O 3.03Å; C328-S352 WeakPolarHBondContact O-CB 3.45Å; W340-S352 PolarHBondContact NE1-O 3.17Å
353L87.1Confident81.3Confident73 Ų7374.5 Ų74.538%0.38240%0.395SS..EExtended strand (participates in β ladder)trans-107.7122.1-175.3172.964.7000112.2K325 V327 S349 N351K325-L353 HydrophobicContact CB-CD1 4.45Å; V327-L353 HydrophobicContact CG2-CD1 3.7Å; S349-L353 WeakPolarHBondContact CB-O 3.35Å; S349-L353 PolarHBondContact OG-O 2.98Å; N351-L353 PolarHBondContact O-N 2.77Å; N351-L353 VanDerWaalsContact O-N 3.11Å
354L87Confident81.1Confident0 Ų071.3 Ų71.30%038%0.383CS..EExtended strand (participates in β ladder)trans-92.5134163.3-174.769.6000109.7F324 K325 Q326 W340 V348 I356 Y367 L382F324-L354 HydrophobicContact CE2-CD2 3.97Å; F324-L354 HydrophobicContact CZ-CD2 4.32Å; K325-L354 CarbonylContact C-O 3.57Å; K325-L354 VanDerWaalsContact CA-O 3.32Å; K325-L354 WeakPolarHBondContact CA-O 3.16Å; Q326-L354 HydrophobicContact CB-CB 4.4Å; Q326-L354 HydrophobicContact CB-CD2 4.41Å; Q326-L354 PolarHBondContact N-O 2.94Å; Q326-L354 VanDerWaalsContact O-CB 3.3Å; Q326-L354 WeakPolarHBondContact O-CB 3.26Å; Q326-L354 PolarHBondContact O-N 3.48Å; W340-L354 HydrophobicContact CB-CB 4.48Å; W340-L354 HydrophobicContact CB-CD1 4.09Å; W340-L354 HydrophobicContact CD2-CB 3.68Å; W340-L354 HydrophobicContact CD2-CD1 4.44Å; W340-L354 HydrophobicContact CD2-CD2 4.23Å; W340-L354 HydrophobicContact CD2-CG 4.34Å; W340-L354 HydrophobicContact CE3-CB 4.21Å; W340-L354 HydrophobicContact CE3-CD2 3.89Å; W340-L354 HydrophobicContact CE3-CG 4.45Å; W340-L354 HydrophobicContact CG-CB 3.81Å; W340-L354 HydrophobicContact CG-CD1 4.28Å; W340-L354 HydrophobicContact CH2-CD2 4.35Å; W340-L354 HydrophobicContact CZ2-CB 4.13Å; W340-L354 HydrophobicContact CZ3-CD2 3.96Å; V348-L354 HydrophobicContact CB-CD1 3.73Å; V348-L354 HydrophobicContact CG1-CD1 3.68Å; V348-L354 HydrophobicContact CG2-CD1 4.45Å; L354-I356 HydrophobicContact CD1-CD1 3.84Å; L354-I356 HydrophobicContact CD1-CG1 4.16Å; L354-I356 HydrophobicContact CD2-CG1 4.28Å; L354-I356 HydrophobicContact CG-CD1 4.2Å; L354-I356 HydrophobicContact CG-CG1 3.95Å; L354-Y367 HydrophobicContact CD1-CD1 3.84Å; L354-Y367 HydrophobicContact CD1-CE1 4.15Å; L354-Y367 HydrophobicContact CD2-CD1 3.75Å; L354-Y367 HydrophobicContact CD2-CD2 4.23Å; L354-Y367 HydrophobicContact CD2-CE1 4.4Å; L354-Y367 HydrophobicContact CD2-CG 3.63Å; L354-Y367 HydrophobicContact CG-CD1 4.42Å; L354-L382 HydrophobicContact CD2-CD2 4.31Å
355D83.8Confident81.1Confident63 Ų6371.7 Ų71.734%0.33738%0.379SS..EExtended strand (participates in β ladder)trans-141105.8-176.8-157.5-11.4000108.8K325 H357K325-D355 WeakPolarHBondContact CD-OD1 3.3Å; K325-D355 WeakPolarHBondContact CE-OD1 3.39Å; K325-D355 VanDerWaalsContact CG-OD1 3.29Å; K325-D355 WeakPolarHBondContact CG-OD1 3.48Å; K325-D355 IonicContact NZ-OD1 2.69Å; K325-D355 PolarHBondContact NZ-OD1 3.42Å; K325-D355 IonicContact NZ-OD2 3.24Å; K325-D355 PolarHBondContact NZ-OD2 2.03Å; D355-H357 IonicContact OD1-CE1 2.71Å; D355-H357 IonicContact OD1-NE2 2.64Å
356I83.3Confident81.5Confident18 Ų1869.7 Ų69.79%0.09237%0.367CS..EExtended strand (participates in β ladder)trans-116.8117.3-171-58.4-58.6000110.3S323 F324 V348 L354 V359 Y367S323-I356 CarbonylContact C-O 3.38Å; S323-I356 VanDerWaalsContact CA-O 3.24Å; S323-I356 WeakPolarHBondContact CA-O 3.5Å; S323-I356 WeakPolarHBondContact CB-O 3.34Å; F324-I356 HydrophobicContact CD1-CB 3.89Å; F324-I356 HydrophobicContact CD1-CG2 4.14Å; F324-I356 HydrophobicContact CE1-CB 3.57Å; F324-I356 HydrophobicContact CE1-CG1 3.82Å; F324-I356 HydrophobicContact CE1-CG2 3.67Å; F324-I356 HydrophobicContact CE2-CB 4.42Å; F324-I356 HydrophobicContact CE2-CG1 4.11Å; F324-I356 HydrophobicContact CG-CB 4.46Å; F324-I356 HydrophobicContact CZ-CB 3.86Å; F324-I356 HydrophobicContact CZ-CG1 3.58Å; F324-I356 HydrophobicContact CZ-CG2 4.31Å; F324-I356 PolarHBondContact N-O 3.26Å; F324-I356 PolarHBondContact O-N 3.02Å; F324-I356 VanDerWaalsContact O-O 3.13Å; V348-I356 HydrophobicContact CG1-CD1 3.82Å; L354-I356 HydrophobicContact CD1-CD1 3.84Å; L354-I356 HydrophobicContact CD1-CG1 4.16Å; L354-I356 HydrophobicContact CD2-CG1 4.28Å; L354-I356 HydrophobicContact CG-CD1 4.2Å; L354-I356 HydrophobicContact CG-CG1 3.95Å; I356-V359 HydrophobicContact CG2-CG2 3.95Å; I356-Y367 HydrophobicContact CD1-CE1 3.68Å; I356-Y367 WeakPolarHBondContact CD1-OH 3.41Å; I356-Y367 HydrophobicContact CG1-CE1 4.12Å; I356-Y367 HydrophobicContact CG1-CE2 4.42Å
357H79.4Confident81.8Confident109 Ų10966 Ų6651%0.50535%0.346SS..  trans-104.8140.8173.6-64.9-58.4000111.4S323 D355S323-H357 WeakPolarHBondContact CB-ND1 3.5Å; S323-H357 WeakPolarHBondContact OG-CA 3.14Å; S323-H357 PolarHBondContact OG-ND1 3.21Å; D355-H357 IonicContact OD1-CE1 2.71Å; D355-H357 IonicContact OD1-NE2 2.64Å
358H76.1Confident82.2Confident142 Ų14263 Ų6366%0.65733%0.329SS*.SBendtrans59.860176.8-46.6101.1000114.9T321 T322 S360T321-H358 PolarHBondContact O-CD2 3.26Å; T322-H358 CarbonylContact O-C 3.28Å; T322-H358 VanDerWaalsContact O-CA 3.24Å; T322-H358 WeakPolarHBondContact O-CA 3.35Å; T322-H358 PolarHBondContact O-N 2.89Å; H358-S360 PolarHBondContact O-N 2.87Å
359V77.7Confident82.5Confident8 Ų860.2 Ų60.25%0.04831%0.312CS..  trans-52.3133.9171.1175.10000111V318 E320 T321 T322 F324 I356 V384 V386V318-V359 HydrophobicContact CB-CB 4.41Å; V318-V359 HydrophobicContact CB-CG1 4.16Å; V318-V359 HydrophobicContact CB-CG2 4.41Å; V318-V359 HydrophobicContact CG1-CB 3.84Å; V318-V359 HydrophobicContact CG1-CG1 4.13Å; V318-V359 HydrophobicContact CG1-CG2 3.83Å; E320-V359 CarbonylContact C-O 3.56Å; E320-V359 WeakPolarHBondContact CA-O 3.47Å; T321-V359 PolarHBondContact N-O 2.85Å; T322-V359 PolarHBondContact O-N 2.9Å; F324-V359 HydrophobicContact CD1-CG2 3.63Å; F324-V359 HydrophobicContact CE1-CG2 3.78Å; I356-V359 HydrophobicContact CG2-CG2 3.95Å; V359-V384 HydrophobicContact CG1-CG1 4.11Å; V359-V386 HydrophobicContact CG1-CG2 3.55Å
360S78.6Confident82.5Confident39 Ų3959.2 Ų59.227%0.27331%0.305SS..  trans-121.4162.2172.8173.20000110.3E320 H358 N362 G363E320-S360 WeakPolarHBondContact OE1-CA 3.36Å; E320-S360 WeakPolarHBondContact OE1-CB 3.17Å; E320-S360 PolarHBondContact OE1-OG 2.97Å; H358-S360 PolarHBondContact O-N 2.87Å; S360-N362 PolarHBondContact O-N 2.78Å; S360-N362 PolarHBondContact OG-N 2.96Å; S360-G363 WeakPolarHBondContact O-CA 3.23Å; S360-G363 PolarHBondContact O-N 2.85Å
361R78Confident82.9Confident49 Ų4953.7 Ų53.719%0.18528%0.275CS..THydrogen-bonded Turntrans-57.7-23167.980.6-174.678.5-179.93113E320 V386 Y388 D413E320-R361 PolarHBondContact OE1-N 2.8Å; E320-R361 IonicContact OE1-NE 3.35Å; E320-R361 IonicContact OE2-CZ 3.83Å; E320-R361 IonicContact OE2-NE 2.75Å; E320-R361 PolarHBondContact OE2-NE 2.9Å; E320-R361 VanDerWaalsContact OE2-NE 3.07Å; E320-R361 IonicContact OE2-NH2 3.77Å; E320-R361 PolarHBondContact OE2-NH2 2.88Å; R361-V386 HydrophobicContact CB-CG1 4.33Å; R361-Y388 HydrophobicContact CB-CD1 3.62Å; R361-Y388 HydrophobicContact CB-CE1 3.69Å; R361-Y388 HydrophobicContact CB-CG 4.41Å; R361-Y388 HydrophobicContact CG-CD1 4.43Å; R361-Y388 HydrophobicContact CG-CE1 4.49Å; R361-Y388 VanDerWaalsContact CZ-CB 3.41Å; R361-D413 IonicContact NH1-OD2 2.73Å
362N77.3Confident82.9Confident147 Ų14750.5 Ų50.579%0.78626%0.261SS*.THydrogen-bonded Turntrans-91.5-0.5174.4-64.7-10.4000112.9S360S360-N362 PolarHBondContact O-N 2.78Å; S360-N362 PolarHBondContact OG-N 2.96Å
363G75.6Confident82.9Confident25 Ų2549 Ų4926%0.25825%0.249SC..SBendtrans-70.3161.4175.100000111.9S360 K365S360-G363 WeakPolarHBondContact O-CA 3.23Å; S360-G363 PolarHBondContact O-N 2.85Å; G363-K365 PolarHBondContact O-N 2.84Å
364P75.2Confident82.6Confident36 Ų3653.4 Ų53.423%0.23427%0.267CS..  trans-54.3125.5177.6-24.633.4000111.3D342 Y366 Y367D342-P364 HydrophobicContact CB-CB 4.05Å; D342-P364 HydrophobicContact CB-CG 4.01Å; P364-Y366 VanDerWaalsContact C-N 3.27Å; P364-Y367 HydrophobicContact CB-CD2 4.49Å; P364-Y367 HydrophobicContact CB-CE1 4.22Å; P364-Y367 HydrophobicContact CB-CE2 3.94Å; P364-Y367 WeakPolarHBondContact CD-OH 3.09Å; P364-Y367 HydrophobicContact CG-CE1 4.11Å; P364-Y367 HydrophobicContact CG-CE2 4.38Å
365K80.3Confident82.3Confident125 Ų12556 Ų5654%0.54328%0.281SS..SBendtrans-75.3-24.4176.8-67.7-175178.4-178.60110.9E343 G363 L383 V384E343-K365 WeakPolarHBondContact OE2-CB 3.41Å; E343-K365 PolarHBondContact OE2-N 3.23Å; G363-K365 PolarHBondContact O-N 2.84Å; K365-L383 HydrophobicContact CB-CD1 4.3Å; K365-L383 CarbonylContact O-C 3.41Å; K365-L383 VanDerWaalsContact O-CA 3.3Å; K365-L383 WeakPolarHBondContact O-CA 3.33Å; K365-L383 WeakPolarHBondContact O-CD1 3.14Å; K365-V384 PolarHBondContact O-N 2.81Å
366Y85.9Confident82.3Confident86 Ų8654.1 Ų54.134%0.33728%0.277SS..EExtended strand (participates in β ladder)trans-128.7141.9170.8-51.9-101.2000113.3D342 E343 P364 K381 L382 L383D342-Y366 CarbonylContact C-O 3.45Å; E343-Y366 HydrophobicContact CG-CD2 3.95Å; E343-Y366 HydrophobicContact CG-CG 4.34Å; E343-Y366 PolarHBondContact N-O 2.82Å; E343-Y366 VanDerWaalsContact N-O 3.09Å; E343-Y366 WeakPolarHBondContact OE1-CD2 3.48Å; E343-Y366 PolarHBondContact OE2-N 2.85Å; P364-Y366 VanDerWaalsContact C-N 3.27Å; Y366-K381 HydrophobicContact CD1-CB 4.42Å; Y366-K381 HydrophobicContact CD1-CD 4.32Å; Y366-L382 CarbonylContact C-O 3.59Å; Y366-L382 WeakPolarHBondContact CA-O 3.09Å; Y366-L383 HydrophobicContact CD1-CB 3.93Å; Y366-L383 HydrophobicContact CD1-CD1 4.1Å; Y366-L383 HydrophobicContact CD2-CD1 4.46Å; Y366-L383 HydrophobicContact CE1-CB 3.84Å; Y366-L383 HydrophobicContact CE1-CD1 3.72Å; Y366-L383 HydrophobicContact CE1-CD2 4.2Å; Y366-L383 HydrophobicContact CE1-CG 4.12Å; Y366-L383 HydrophobicContact CE2-CD1 4.1Å; Y366-L383 HydrophobicContact CG-CD1 4.47Å
367Y87.1Confident82.5Confident15 Ų1557.7 Ų57.76%0.05929%0.293CS..EExtended strand (participates in β ladder)trans-113.4133.7164.6-67.5-91.9000109F324 V341 D342 V348 L354 I356 P364 K381 L382 V384F324-Y367 HydrophobicContact CE1-CE2 4.24Å; F324-Y367 AromaticContact CZ-CD2 3.93Å; F324-Y367 HydrophobicContact CZ-CD2 3.93Å; F324-Y367 AromaticContact CZ-CE2 3.68Å; F324-Y367 HydrophobicContact CZ-CE2 3.68Å; V341-Y367 CarbonylContact O-C 3.1Å; V341-Y367 WeakPolarHBondContact O-CA 3.27Å; D342-Y367 HydrophobicContact CB-CD1 4.34Å; D342-Y367 HydrophobicContact CB-CE1 4.4Å; V348-Y367 HydrophobicContact CG1-CE1 4.21Å; V348-Y367 HydrophobicContact CG2-CD1 4.06Å; V348-Y367 HydrophobicContact CG2-CE1 4.07Å; L354-Y367 HydrophobicContact CD1-CD1 3.84Å; L354-Y367 HydrophobicContact CD1-CE1 4.15Å; L354-Y367 HydrophobicContact CD2-CD1 3.75Å; L354-Y367 HydrophobicContact CD2-CD2 4.23Å; L354-Y367 HydrophobicContact CD2-CE1 4.4Å; L354-Y367 HydrophobicContact CD2-CG 3.63Å; L354-Y367 HydrophobicContact CG-CD1 4.42Å; I356-Y367 HydrophobicContact CD1-CE1 3.68Å; I356-Y367 WeakPolarHBondContact CD1-OH 3.41Å; I356-Y367 HydrophobicContact CG1-CE1 4.12Å; I356-Y367 HydrophobicContact CG1-CE2 4.42Å; P364-Y367 HydrophobicContact CB-CD2 4.49Å; P364-Y367 HydrophobicContact CB-CE1 4.22Å; P364-Y367 HydrophobicContact CB-CE2 3.94Å; P364-Y367 WeakPolarHBondContact CD-OH 3.09Å; P364-Y367 HydrophobicContact CG-CE1 4.11Å; P364-Y367 HydrophobicContact CG-CE2 4.38Å; Y367-K381 CarbonylContact O-C 2.85Å; Y367-K381 WeakPolarHBondContact O-CA 3.46Å; Y367-L382 PolarHBondContact N-O 3.47Å; Y367-L382 WeakPolarHBondContact O-CB 3.44Å; Y367-L382 PolarHBondContact O-N 2.96Å; Y367-V384 HydrophobicContact CD2-CG2 4Å; Y367-V384 HydrophobicContact CE2-CG2 4.04Å
368K88Confident82.9Confident33 Ų3354.6 Ų54.614%0.14328%0.281CS..EExtended strand (participates in β ladder)trans-110.5115.4-179.7176.4-152.7-72.1-175.70108.5V341 V370 N379 L380V341-K368 HydrophobicContact CG2-CB 3.76Å; V341-K368 HydrophobicContact CG2-CD 3.72Å; V341-K368 HydrophobicContact CG2-CG 4.14Å; V341-K368 WeakPolarHBondContact CG2-O 3.28Å; V341-K368 PolarHBondContact N-O 2.83Å; V341-K368 PolarHBondContact O-N 2.95Å; K368-V370 HydrophobicContact CD-CG2 3.65Å; K368-V370 HydrophobicContact CG-CG2 4.07Å; K368-N379 HydrophobicContact CD-CB 3.68Å; K368-N379 HydrophobicContact CG-CB 3.72Å; K368-L380 CarbonylContact C-O 3.36Å; K368-L380 VanDerWaalsContact CA-O 3.24Å; K368-L380 WeakPolarHBondContact CA-O 3.37Å
369C91Very high83.5Confident0 Ų051.4 Ų51.40%027%0.269CS..EExtended strand (participates in β ladder)trans-73.8145.1161.3179.40000109.7I308 F311 C328 Y339 W340 N379 L380I308-C369 HydrophobicContact CD1-CB 4.15Å; F311-C369 HydrophobicContact CE1-CB 4.4Å; F311-C369 HydrophobicContact CZ-CB 3.84Å; C328-C369 HydrophobicContact CB-CB 3.46Å; C328-C369 VanDerWaalsContact CB-CB 3.46Å; C328-C369 WeakPolarHBondContact CB-SG 3.28Å; C328-C369 WeakPolarHBondContact SG-CB 3.49Å; C328-C369 CovalentContact SG-SG 2Å; C328-C369 PolarHBondContact SG-SG 2.63Å; Y339-C369 PolarHBondContact O-SG 2.89Å; Y339-C369 VanDerWaalsContact O-SG 3.41Å; W340-C369 HydrophobicContact CD2-CB 3.9Å; W340-C369 HydrophobicContact CE3-CB 3.85Å; W340-C369 HydrophobicContact CH2-CB 4.09Å; W340-C369 HydrophobicContact CZ2-CB 4.11Å; W340-C369 HydrophobicContact CZ3-CB 3.95Å; C369-N379 CarbonylContact O-C 3.37Å; C369-N379 WeakPolarHBondContact O-CA 3.34Å; C369-N379 WeakPolarHBondContact O-CB 3.41Å; C369-L380 PolarHBondContact N-O 3.18Å; C369-L380 PolarHBondContact O-N 3.33Å
370V87.4Confident84Confident3 Ų353.5 Ų53.52%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-128.6143.4174.5-168.70000109.6I338 Y339 V341 K368 E377 T378 N379I338-V370 WeakPolarHBondContact CA-O 3.41Å; Y339-V370 HydrophobicContact CD1-CB 4.21Å; Y339-V370 HydrophobicContact CD2-CB 3.97Å; Y339-V370 HydrophobicContact CD2-CG2 4.34Å; Y339-V370 HydrophobicContact CE1-CB 3.83Å; Y339-V370 HydrophobicContact CE1-CG1 3.72Å; Y339-V370 HydrophobicContact CE2-CB 3.59Å; Y339-V370 HydrophobicContact CE2-CG1 3.96Å; Y339-V370 HydrophobicContact CE2-CG2 3.88Å; Y339-V370 HydrophobicContact CG-CB 4.27Å; Y339-V370 PolarHBondContact N-O 2.87Å; Y339-V370 PolarHBondContact O-N 2.8Å; Y339-V370 VanDerWaalsContact OH-CG1 3.28Å; Y339-V370 WeakPolarHBondContact OH-CG1 3.29Å; V341-V370 HydrophobicContact CG1-CG2 4.34Å; V341-V370 HydrophobicContact CG2-CG2 4.02Å; K368-V370 HydrophobicContact CD-CG2 3.65Å; K368-V370 HydrophobicContact CG-CG2 4.07Å; V370-E377 HydrophobicContact CG1-CG 3.44Å; V370-E377 VanDerWaalsContact CG1-CG 3.44Å; V370-E377 VanDerWaalsContact CG1-OE1 3.27Å; V370-E377 WeakPolarHBondContact CG1-OE1 3.45Å; V370-E377 WeakPolarHBondContact CG1-OE2 3.27Å; V370-T378 WeakPolarHBondContact CA-O 3.13Å; V370-N379 HydrophobicContact CB-CB 4.37Å; V370-N379 HydrophobicContact CG1-CB 4.34Å; V370-N379 HydrophobicContact CG2-CB 3.98Å
371A90.7Very high84.4Confident0 Ų058 Ų580%029%0.294CS..EExtended strand (participates in β ladder)trans-142.3125.517600000110P306 I308 Q337 I338 E377 T378P306-A371 HydrophobicContact CB-CB 3.64Å; P306-A371 HydrophobicContact CG-CB 4.44Å; P306-A371 WeakPolarHBondContact CG-O 3.36Å; I308-A371 HydrophobicContact CD1-CB 3.92Å; I308-A371 HydrophobicContact CG1-CB 3.71Å; Q337-A371 CarbonylContact O-C 3.41Å; Q337-A371 VanDerWaalsContact O-CA 3.26Å; Q337-A371 WeakPolarHBondContact O-CA 3.26Å; I338-A371 HydrophobicContact CG1-CB 4.08Å; I338-A371 HydrophobicContact CG2-CB 4.46Å; A371-E377 WeakPolarHBondContact O-CA 3.22Å; A371-E377 WeakPolarHBondContact O-CG 3.27Å; A371-T378 PolarHBondContact N-O 3.33Å; A371-T378 PolarHBondContact O-N 3.09Å
372S84.7Confident84.7Confident36 Ų3655.7 Ų55.725%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-133.5137.7-166.7-151.30000112.7A336 Q337 G376 E377A336-S372 CarbonylContact C-O 3.55Å; A336-S372 VanDerWaalsContact CA-O 3.28Å; A336-S372 WeakPolarHBondContact CA-O 3.25Å; Q337-S372 PolarHBondContact N-O 3.35Å; Q337-S372 PolarHBondContact O-N 3.22Å; S372-G376 WeakPolarHBondContact CA-O 3.41Å; S372-E377 WeakPolarHBondContact CB-OE2 3.44Å; S372-E377 PolarHBondContact OG-OE2 2.82Å
373N87.5Confident85Confident21 Ų2151.2 Ų51.211%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-143.7-176.4173.879.7-13.2000111.6Y304 P306 N333 P334 A336 I375 G376Y304-N373 PolarHBondContact O-ND2 2.96Å; P306-N373 WeakPolarHBondContact CD-OD1 3.25Å; P306-N373 HydrophobicContact CG-CB 3.92Å; N333-N373 PolarHBondContact O-ND2 2.76Å; P334-N373 WeakPolarHBondContact O-CB 3.42Å; P334-N373 PolarHBondContact O-ND2 3.36Å; A336-N373 HydrophobicContact CB-CB 4.38Å; N373-I375 PolarHBondContact O-N 3.49Å; N373-I375 VanDerWaalsContact O-N 3.11Å; N373-I375 WeakPolarHBondContact OD1-CA 3.29Å; N373-I375 WeakPolarHBondContact OD1-CB 3.44Å; N373-I375 PolarHBondContact OD1-N 2.83Å; N373-G376 PolarHBondContact N-O 2.95Å; N373-G376 PolarHBondContact O-N 3.03Å; N373-G376 VanDerWaalsContact O-N 3.1Å; N373-G376 PolarHBondContact OD1-N 3.2Å; N373-G376 PolarHBondContact OD1-O 3.08Å
374E79.3Confident85.3Confident166 Ų16650.4 Ų50.478%0.77625%0.252SS*.THydrogen-bonded Turntrans-59.3-22-180-60.5-172.8173.900114.5P334P334-E374 HydrophobicContact CG-CB 4.27Å; P334-E374 HydrophobicContact CG-CG 4.37Å
375I80.6Confident85.5Confident55 Ų5551.6 Ų51.628%0.28226%0.256SS..THydrogen-bonded Turntrans-90.5-24.3-179.9-45.8-56.9000111.3I211 E303 V305 N373I211-I375 HydrophobicContact CG2-CG2 4.2Å; E303-I375 HydrophobicContact CB-CD1 3.8Å; E303-I375 HydrophobicContact CB-CG1 4.02Å; V305-I375 HydrophobicContact CG1-CB 4.25Å; V305-I375 HydrophobicContact CG1-CG2 3.89Å; N373-I375 PolarHBondContact O-N 3.49Å; N373-I375 VanDerWaalsContact O-N 3.11Å; N373-I375 WeakPolarHBondContact OD1-CA 3.29Å; N373-I375 WeakPolarHBondContact OD1-CB 3.44Å; N373-I375 PolarHBondContact OD1-N 2.83Å
376G85.8Confident85.4Confident24 Ų2446.4 Ų46.425%0.24724%0.235CC..EExtended strand (participates in β ladder)trans151.9-160.817400000114.6P306 S372 N373P306-G376 WeakPolarHBondContact CD-O 3.24Å; S372-G376 WeakPolarHBondContact CA-O 3.41Å; N373-G376 PolarHBondContact N-O 2.95Å; N373-G376 PolarHBondContact O-N 3.03Å; N373-G376 VanDerWaalsContact O-N 3.1Å; N373-G376 PolarHBondContact OD1-N 3.2Å; N373-G376 PolarHBondContact OD1-O 3.08Å
377E86.4Confident85Confident93 Ų9343.6 Ų43.644%0.43523%0.226SC..EExtended strand (participates in β ladder)trans-132.6142.2-173.1-170178.59400112.5Y339 V370 A371 S372Y339-E377 PolarHBondContact OH-OE2 2.85Å; V370-E377 HydrophobicContact CG1-CG 3.44Å; V370-E377 VanDerWaalsContact CG1-CG 3.44Å; V370-E377 VanDerWaalsContact CG1-OE1 3.27Å; V370-E377 WeakPolarHBondContact CG1-OE1 3.45Å; V370-E377 WeakPolarHBondContact CG1-OE2 3.27Å; A371-E377 WeakPolarHBondContact O-CA 3.22Å; A371-E377 WeakPolarHBondContact O-CG 3.27Å; S372-E377 WeakPolarHBondContact CB-OE2 3.44Å; S372-E377 PolarHBondContact OG-OE2 2.82Å
378T87.1Confident84.7Confident43 Ų4344.7 Ų44.726%0.26423%0.23SC..EExtended strand (participates in β ladder)trans-122.3148.7170.7-67.50000109.8P306 I308 V370 A371P306-T378 WeakPolarHBondContact O-CB 3.17Å; P306-T378 PolarHBondContact O-OG1 2.86Å; I308-T378 HydrophobicContact CB-CG2 4.31Å; I308-T378 HydrophobicContact CD1-CG2 4.23Å; I308-T378 VanDerWaalsContact CD1-O 3.31Å; I308-T378 WeakPolarHBondContact CD1-O 3.22Å; I308-T378 HydrophobicContact CG1-CG2 4.26Å; V370-T378 WeakPolarHBondContact CA-O 3.13Å; A371-T378 PolarHBondContact N-O 3.33Å; A371-T378 PolarHBondContact O-N 3.09Å
379N89.9Confident84.2Confident76 Ų7643.6 Ų43.641%0.40623%0.226SC..EExtended strand (participates in β ladder)trans-141.7155.4172.462.684.1000113.5K368 C369 V370K368-N379 HydrophobicContact CD-CB 3.68Å; K368-N379 HydrophobicContact CG-CB 3.72Å; C369-N379 CarbonylContact O-C 3.37Å; C369-N379 WeakPolarHBondContact O-CA 3.34Å; C369-N379 WeakPolarHBondContact O-CB 3.41Å; V370-N379 HydrophobicContact CB-CB 4.37Å; V370-N379 HydrophobicContact CG1-CB 4.34Å; V370-N379 HydrophobicContact CG2-CB 3.98Å
380L86.9Confident83.8Confident52 Ų5244.1 Ų44.127%0.27223%0.229SC..EExtended strand (participates in β ladder)trans-142.5132-174.5179.169000111.4I308 Y309 F311 K368 C369I308-L380 HydrophobicContact CB-CB 4.42Å; I308-L380 HydrophobicContact CG2-CB 3.8Å; I308-L380 HydrophobicContact CG2-CD2 3.76Å; I308-L380 HydrophobicContact CG2-CG 4.44Å; Y309-L380 WeakPolarHBondContact O-CD2 3.41Å; F311-L380 HydrophobicContact CD1-CD2 4.03Å; F311-L380 HydrophobicContact CD2-CD2 3.77Å; F311-L380 HydrophobicContact CD2-CG 4.04Å; F311-L380 HydrophobicContact CE1-CD2 3.79Å; F311-L380 HydrophobicContact CE2-CB 4.16Å; F311-L380 HydrophobicContact CE2-CD2 3.54Å; F311-L380 HydrophobicContact CE2-CG 3.54Å; F311-L380 HydrophobicContact CG-CD2 4.02Å; F311-L380 HydrophobicContact CZ-CB 4.08Å; F311-L380 HydrophobicContact CZ-CD2 3.54Å; F311-L380 HydrophobicContact CZ-CG 3.83Å; K368-L380 CarbonylContact C-O 3.36Å; K368-L380 VanDerWaalsContact CA-O 3.24Å; K368-L380 WeakPolarHBondContact CA-O 3.37Å; C369-L380 PolarHBondContact N-O 3.18Å; C369-L380 PolarHBondContact O-N 3.33Å
381K87.9Confident83.4Confident132 Ų13245.7 Ų45.757%0.57424%0.239SC*.EExtended strand (participates in β ladder)trans-93.5143179.9-63.5-171.3179.2-169.30113.6Y366 Y367Y366-K381 HydrophobicContact CD1-CB 4.42Å; Y366-K381 HydrophobicContact CD1-CD 4.32Å; Y367-K381 CarbonylContact O-C 2.85Å; Y367-K381 WeakPolarHBondContact O-CA 3.46Å
382L83.3Confident83Confident2 Ų246 Ų461%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-117.5128171.8179.376000107.8F311 I316 F324 Q326 L354 Y366 Y367F311-L382 HydrophobicContact CB-CD1 3.91Å; F311-L382 HydrophobicContact CD2-CB 3.63Å; F311-L382 HydrophobicContact CD2-CD1 3.74Å; F311-L382 HydrophobicContact CD2-CG 4.3Å; F311-L382 HydrophobicContact CE2-CB 3.71Å; F311-L382 HydrophobicContact CG-CD1 4.01Å; I316-L382 HydrophobicContact CD1-CD1 4.05Å; I316-L382 HydrophobicContact CD1-CD2 3.9Å; I316-L382 HydrophobicContact CD1-CG 4.28Å; I316-L382 HydrophobicContact CG1-CD1 4.11Å; I316-L382 HydrophobicContact CG1-CG 4.48Å; F324-L382 HydrophobicContact CE2-CD2 3.86Å; F324-L382 HydrophobicContact CZ-CD2 4.48Å; Q326-L382 HydrophobicContact CB-CD2 4Å; Q326-L382 HydrophobicContact CG-CD1 4.42Å; Q326-L382 HydrophobicContact CG-CD2 4.04Å; L354-L382 HydrophobicContact CD2-CD2 4.31Å; Y366-L382 CarbonylContact C-O 3.59Å; Y366-L382 WeakPolarHBondContact CA-O 3.09Å; Y367-L382 PolarHBondContact N-O 3.47Å; Y367-L382 WeakPolarHBondContact O-CB 3.44Å; Y367-L382 PolarHBondContact O-N 2.96Å
383L83.7Confident82.7Confident52 Ų5249.6 Ų49.627%0.27225%0.254SS..EExtended strand (participates in β ladder)trans-93.4147.2175.2174.356.1000111.2N314 A315 I316 K365 Y366N314-L383 WeakPolarHBondContact O-CB 3.32Å; A315-L383 CarbonylContact C-O 3.44Å; A315-L383 VanDerWaalsContact CA-O 3.28Å; A315-L383 WeakPolarHBondContact CA-O 3.48Å; A315-L383 HydrophobicContact CB-CB 3.94Å; A315-L383 HydrophobicContact CB-CD2 3.91Å; A315-L383 HydrophobicContact CB-CG 3.77Å; I316-L383 PolarHBondContact N-O 2.89Å; K365-L383 HydrophobicContact CB-CD1 4.3Å; K365-L383 CarbonylContact O-C 3.41Å; K365-L383 VanDerWaalsContact O-CA 3.3Å; K365-L383 WeakPolarHBondContact O-CA 3.33Å; K365-L383 WeakPolarHBondContact O-CD1 3.14Å; Y366-L383 HydrophobicContact CD1-CB 3.93Å; Y366-L383 HydrophobicContact CD1-CD1 4.1Å; Y366-L383 HydrophobicContact CD2-CD1 4.46Å; Y366-L383 HydrophobicContact CE1-CB 3.84Å; Y366-L383 HydrophobicContact CE1-CD1 3.72Å; Y366-L383 HydrophobicContact CE1-CD2 4.2Å; Y366-L383 HydrophobicContact CE1-CG 4.12Å; Y366-L383 HydrophobicContact CE2-CD1 4.1Å; Y366-L383 HydrophobicContact CG-CD1 4.47Å
384V81.9Confident82.4Confident8 Ų849.3 Ų49.35%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-127.9132.5172.6-174.10000109.4I316 V318 F324 V359 K365 Y367 V386I316-V384 WeakPolarHBondContact O-CA 3.47Å; V318-V384 HydrophobicContact CG2-CG1 4.21Å; F324-V384 HydrophobicContact CE1-CG1 4.32Å; F324-V384 HydrophobicContact CE1-CG2 3.91Å; F324-V384 HydrophobicContact CZ-CG2 3.74Å; V359-V384 HydrophobicContact CG1-CG1 4.11Å; K365-V384 PolarHBondContact O-N 2.81Å; Y367-V384 HydrophobicContact CD2-CG2 4Å; Y367-V384 HydrophobicContact CE2-CG2 4.04Å; V384-V386 HydrophobicContact CG1-CG2 4.32Å
385D79.2Confident82.4Confident62 Ų6246.2 Ų46.233%0.33224%0.238SC..EExtended strand (participates in β ladder)trans-127.7139.1-175.7170.142.8000111.1I316 R317 V318I316-D385 PolarHBondContact O-N 3.3Å; R317-D385 WeakPolarHBondContact CA-O 3.26Å; R317-D385 WeakPolarHBondContact CD-OD2 3.17Å; R317-D385 HydrophobicContact CG-CB 3.99Å; R317-D385 WeakPolarHBondContact CG-OD2 3.14Å; V318-D385 PolarHBondContact N-O 3.49Å
386V80Confident82.1Confident15 Ų1548.1 Ų48.19%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-142.2136.9-160.4-169.20000111.9V318 E320 V359 R361 V384 Y388 N415V318-V386 WeakPolarHBondContact O-CA 3.35Å; E320-V386 HydrophobicContact CB-CG1 4Å; V359-V386 HydrophobicContact CG1-CG2 3.55Å; R361-V386 HydrophobicContact CB-CG1 4.33Å; V384-V386 HydrophobicContact CG1-CG2 4.32Å; V386-Y388 WeakPolarHBondContact O-CD1 3.37Å; V386-Y388 WeakPolarHBondContact O-CE1 3.39Å; V386-N415 PolarHBondContact O-ND2 3.19Å
387L77.6Confident81.6Confident27 Ų2752.8 Ų52.814%0.14127%0.27CS..EExtended strand (participates in β ladder)trans-118.7135.4-162.8-48.3177.6000111.6M476 L480L387-M476 HydrophobicContact CB-CE 4.48Å; L387-M476 HydrophobicContact CD1-CE 3.43Å; L387-M476 VanDerWaalsContact CD1-CE 3.43Å; L387-L480 HydrophobicContact CD1-CD2 3.77Å
388Y79.5Confident81.3Confident38 Ų3848.8 Ų48.815%0.14925%0.252CS..EExtended strand (participates in β ladder)trans-162.4152.8-166.552-95.3000117.5R361 V386 D413 N415 W496R361-Y388 HydrophobicContact CB-CD1 3.62Å; R361-Y388 HydrophobicContact CB-CE1 3.69Å; R361-Y388 HydrophobicContact CB-CG 4.41Å; R361-Y388 HydrophobicContact CG-CD1 4.43Å; R361-Y388 HydrophobicContact CG-CE1 4.49Å; R361-Y388 VanDerWaalsContact CZ-CB 3.41Å; V386-Y388 WeakPolarHBondContact O-CD1 3.37Å; V386-Y388 WeakPolarHBondContact O-CE1 3.39Å; Y388-D413 WeakPolarHBondContact CE2-OD2 3.32Å; Y388-D413 PolarHBondContact OH-OD1 2.93Å; Y388-N415 HydrophobicContact CD1-CB 4.05Å; Y388-N415 HydrophobicContact CD2-CB 4.04Å; Y388-N415 HydrophobicContact CE1-CB 3.7Å; Y388-N415 HydrophobicContact CE2-CB 3.72Å; Y388-N415 HydrophobicContact CG-CB 4.2Å; Y388-N415 PolarHBondContact N-O 3.03Å; Y388-N415 CarbonylContact O-C 3.59Å; Y388-N415 PolarHBondContact O-N 2.71Å; Y388-N415 VanDerWaalsContact O-O 3.05Å; Y388-W496 VanDerWaalsContact CA-CZ2 3.45Å; Y388-W496 WeakPolarHBondContact O-CH2 3.11Å
389P77.7Confident80.6Confident10 Ų1050.6 Ų50.67%0.06526%0.263CS..EExtended strand (participates in β ladder)trans-77.3164.5179.332.1-37.1000114.5W496 R499P389-W496 HydrophobicContact CB-CD2 4.32Å; P389-W496 HydrophobicContact CB-CE3 3.89Å; P389-W496 HydrophobicContact CB-CH2 4.44Å; P389-W496 HydrophobicContact CB-CZ3 3.96Å; P389-W496 HydrophobicContact CG-CD2 4.5Å; P389-R499 HydrophobicContact CB-CB 3.77Å; P389-R499 HydrophobicContact CG-CB 3.83Å
390P82.8Confident80.1Confident11 Ų1147.4 Ų47.47%0.07125%0.246CC..EExtended strand (participates in β ladder)trans-67.9148.9-171.430.2-41.4000115.9V412 D413 A414 A472 R499P390-V412 HydrophobicContact CB-CG1 4.41Å; P390-D413 CarbonylContact C-O 3.41Å; P390-D413 VanDerWaalsContact CA-O 3.28Å; P390-D413 WeakPolarHBondContact CA-O 3.4Å; P390-A414 HydrophobicContact CB-CB 3.67Å; P390-A472 HydrophobicContact CB-CB 4.12Å; P390-A472 HydrophobicContact CG-CB 3.62Å; P390-R499 VanDerWaalsContact CD-O 3.28Å; P390-R499 WeakPolarHBondContact CD-O 3.18Å; P390-R499 VanDerWaalsContact CG-O 3.25Å; P390-R499 WeakPolarHBondContact CG-O 3.47Å
391T79.7Confident79.8Confident36 Ų3648.1 Ų48.122%0.22125%0.25CS..EExtended strand (participates in β ladder)trans-141131.9174.751.30000111H393 V412 D413T391-H393 WeakPolarHBondContact CB-NE2 3.05Å; T391-H393 PolarHBondContact O-CD2 3.23Å; T391-H393 PolarHBondContact OG1-NE2 2.81Å; T391-V412 WeakPolarHBondContact O-CA 3.02Å; T391-D413 PolarHBondContact N-O 2.79Å; T391-D413 PolarHBondContact O-N 3.02Å; T391-D413 PolarHBondContact OG1-O 3.11Å
392V82.2Confident79.2Confident8 Ų848 Ų485%0.04825%0.252CS..EExtended strand (participates in β ladder)trans-90.6129.9175.9170.70000110.5V412 A470 S502 A504V392-V412 HydrophobicContact CG2-CG1 4.4Å; V392-V412 HydrophobicContact CG2-CG2 4.27Å; V392-A470 HydrophobicContact CG2-CB 3.37Å; V392-S502 PolarHBondContact N-OG 3.4Å; V392-A504 HydrophobicContact CG1-CB 4.18Å
393H77.8Confident78.9Confident110 Ų11049.7 Ų49.751%0.50927%0.27SS..EExtended strand (participates in β ladder)trans-124.2103.1-179.9-60.1-78000110.2T391 R411 D413T391-H393 WeakPolarHBondContact CB-NE2 3.05Å; T391-H393 PolarHBondContact O-CD2 3.23Å; T391-H393 PolarHBondContact OG1-NE2 2.81Å; H393-R411 HydrophobicContact CB-CB 4.37Å; H393-R411 PolarHBondContact N-O 2.93Å; H393-R411 PolarHBondContact O-N 2.64Å; H393-D413 WeakPolarHBondContact NE2-CB 3.19Å; H393-D413 IonicContact NE2-OD2 2.8Å
394V81.2Confident78.8Confident16 Ų1651.1 Ų51.110%0.09728%0.276CS..  trans-103.8153.3151.860.50000107.6S396 I408 W423 A504 V506V394-S396 PolarHBondContact O-N 3.35Å; V394-I408 HydrophobicContact CG2-CG2 3.84Å; V394-W423 HydrophobicContact CB-CH2 4.25Å; V394-W423 HydrophobicContact CG2-CH2 3.3Å; V394-W423 HydrophobicContact CG2-CZ2 4.17Å; V394-W423 HydrophobicContact CG2-CZ3 3.78Å; V394-A504 HydrophobicContact CG1-CB 3.71Å; V394-V506 HydrophobicContact CG2-CB 3.97Å; V394-V506 HydrophobicContact CG2-CG1 4.12Å
395Q79.3Confident78.6Confident100 Ų10054.6 Ų54.647%0.46731%0.305SS..  trans-49.1131170.6-65.3173-12.600109.8K397 V398 V506Q395-K397 VanDerWaalsContact C-N 3.28Å; Q395-K397 PolarHBondContact O-N 3.34Å; Q395-V398 VanDerWaalsContact OE1-CG2 3.31Å; Q395-V506 HydrophobicContact CB-CG2 4.17Å; Q395-V506 VanDerWaalsContact O-CA 3.23Å; Q395-V506 WeakPolarHBondContact O-CA 3.2Å; Q395-V506 WeakPolarHBondContact O-CB 3.41Å; Q395-V506 WeakPolarHBondContact O-CG2 3.4Å
396S74.1Confident78.6Confident95 Ų9552.1 Ų52.166%0.66429%0.292SS*.SBendtrans-73.3-24.6179.357.30000113.2V394 A505 V506 N507V394-S396 PolarHBondContact O-N 3.35Å; S396-A505 WeakPolarHBondContact CA-O 3.24Å; S396-V506 WeakPolarHBondContact O-CA 3.08Å; S396-N507 PolarHBondContact O-N 3.09Å
397K74.9Confident78.8Confident123 Ų12356.9 Ų56.954%0.53531%0.313SS..EExtended strand (participates in β ladder)trans-148.6134.6177.6-171-178.1173.3-175.50108Q395 N507 T509Q395-K397 VanDerWaalsContact C-N 3.28Å; Q395-K397 PolarHBondContact O-N 3.34Å; K397-N507 CarbonylContact C-O 3.6Å; K397-N507 WeakPolarHBondContact CA-O 3.34Å; K397-N507 HydrophobicContact CG-CB 4.35Å; K397-N507 WeakPolarHBondContact CG-O 3.47Å; K397-T509 WeakPolarHBondContact CE-OG1 3.24Å
398V80.8Confident79Confident8 Ų855.7 Ų55.75%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-99.2131.9164-164.70000108Q395 V400 L406 I408 V506 N507 L508 T509Q395-V398 VanDerWaalsContact OE1-CG2 3.31Å; V398-V400 HydrophobicContact CG1-CG2 3.5Å; V398-V400 VanDerWaalsContact CG1-CG2 3.5Å; V398-L406 HydrophobicContact CG1-CD1 3.79Å; V398-I408 HydrophobicContact CG2-CD1 3.68Å; V398-I408 HydrophobicContact CG2-CG1 4.33Å; V398-V506 HydrophobicContact CB-CG2 4.49Å; V398-V506 HydrophobicContact CG2-CG2 3.32Å; V398-N507 PolarHBondContact N-O 3.27Å; V398-L508 HydrophobicContact CB-CD1 3.82Å; V398-L508 HydrophobicContact CG1-CD1 4Å; V398-L508 CarbonylContact O-C 3.55Å; V398-L508 VanDerWaalsContact O-CA 3.28Å; V398-L508 WeakPolarHBondContact O-CA 3.42Å; V398-T509 PolarHBondContact O-N 2.91Å; V398-T509 PolarHBondContact O-OG1 2.77Å; V398-T509 VanDerWaalsContact O-OG1 3.04Å
399T73.2Confident79.3Confident81 Ų8156 Ų5650%0.49732%0.317SS..EExtended strand (participates in β ladder)trans-110.1133.9157.639.10000108.6T509T399-T509 VanDerWaalsContact CA-O 3.24Å; T399-T509 WeakPolarHBondContact CA-O 3.43Å; T399-T509 VanDerWaalsContact CG2-OG1 3.31Å; T399-T509 WeakPolarHBondContact CG2-OG1 3.36Å
400V79.2Confident79.7Confident10 Ų1055.8 Ų55.86%0.06132%0.316CS..  trans-131.2148.5176.7-166.40000107.4V398 E404 L406 T458 L508 T509 I510V398-V400 HydrophobicContact CG1-CG2 3.5Å; V398-V400 VanDerWaalsContact CG1-CG2 3.5Å; V400-E404 HydrophobicContact CG1-CB 3.68Å; V400-E404 HydrophobicContact CG1-CG 4.38Å; V400-E404 WeakPolarHBondContact CG1-OE2 3.32Å; V400-L406 HydrophobicContact CG2-CD1 4.19Å; V400-L406 HydrophobicContact CG2-CD2 4.27Å; V400-T458 HydrophobicContact CB-CG2 3.97Å; V400-T458 HydrophobicContact CG1-CG2 3.66Å; V400-T458 VanDerWaalsContact CG1-OG1 3.25Å; V400-T458 WeakPolarHBondContact CG1-OG1 3.48Å; V400-T458 HydrophobicContact CG2-CG2 4.27Å; V400-L508 HydrophobicContact CB-CD1 4.41Å; V400-L508 HydrophobicContact CG2-CD1 3.6Å; V400-T509 PolarHBondContact N-O 2.81Å; V400-I510 WeakPolarHBondContact O-CA 3.32Å; V400-I510 WeakPolarHBondContact O-CB 3.4Å; V400-I510 VanDerWaalsContact O-CG1 3.28Å; V400-I510 WeakPolarHBondContact O-CG1 3.18Å; V400-I510 WeakPolarHBondContact O-CG2 3.31Å
401N79Confident79.8Confident66 Ų6664.2 Ų64.235%0.35335%0.346SS..  trans-78.5176.1175-54.8-59.3000110.7G403 E404 T458N401-G403 PolarHBondContact O-N 3.29Å; N401-E404 HydrophobicContact CB-CG 4.25Å; N401-E404 WeakPolarHBondContact CB-OE2 3.28Å; N401-E404 PolarHBondContact N-OE2 3.2Å; N401-E404 PolarHBondContact ND2-OE1 2.58Å; N401-E404 PolarHBondContact ND2-OE2 3.05Å; N401-T458 PolarHBondContact O-OG1 3.02Å
402E75.3Confident80Confident129 Ų12964.4 Ų64.460%0.60335%0.347SS*.THydrogen-bonded Turntrans-74.6116.2171.9-174.3158.7-131.200109.9Y459 P460E402-Y459 HydrophobicContact CG-CD1 3.91Å; E402-Y459 HydrophobicContact CG-CE1 4.37Å; E402-P460 WeakPolarHBondContact OE1-CD 2.85Å
403G77.3Confident79.8Confident39 Ų3966.6 Ų66.640%0.40236%0.359SS..THydrogen-bonded Turntrans114.3-4.3173.700000117.7N401 T458N401-G403 PolarHBondContact O-N 3.29Å; G403-T458 WeakPolarHBondContact CA-O 3.04Å; G403-T458 PolarHBondContact N-O 3.08Å
404E82.3Confident79.9Confident82 Ų8262 Ų6238%0.38334%0.34SS..  trans-97.5164.1-165.6-56.1173.3148.100114.8V400 N401 H457 T458V400-E404 HydrophobicContact CG1-CB 3.68Å; V400-E404 HydrophobicContact CG1-CG 4.38Å; V400-E404 WeakPolarHBondContact CG1-OE2 3.32Å; N401-E404 HydrophobicContact CB-CG 4.25Å; N401-E404 WeakPolarHBondContact CB-OE2 3.28Å; N401-E404 PolarHBondContact N-OE2 3.2Å; N401-E404 PolarHBondContact ND2-OE1 2.58Å; N401-E404 PolarHBondContact ND2-OE2 3.05Å; E404-H457 CarbonylContact O-C 3.56Å; E404-H457 VanDerWaalsContact O-C 3.28Å; E404-H457 WeakPolarHBondContact O-CA 3.44Å; E404-T458 PolarHBondContact N-OG1 3.01Å; E404-T458 PolarHBondContact O-N 3.37Å; E404-T458 PolarHBondContact O-OG1 2.94Å; E404-T458 VanDerWaalsContact O-OG1 3.12Å
405A77.5Confident79.8Confident80 Ų8063.9 Ų63.966%0.66135%0.349SS*.  trans-93148.4173.300000112.1P456A405-P456 WeakPolarHBondContact CA-O 3.22Å; A405-P456 VanDerWaalsContact CB-O 3.31Å; A405-P456 WeakPolarHBondContact CB-O 2.99Å
406L79.4Confident79.8Confident11 Ų1162.9 Ų62.96%0.05835%0.351CS..EExtended strand (participates in β ladder)trans-132.4119.1-169.2169.459.4000112.1V398 V400 I408 K454 I455 T458 L508V398-L406 HydrophobicContact CG1-CD1 3.79Å; V400-L406 HydrophobicContact CG2-CD1 4.19Å; V400-L406 HydrophobicContact CG2-CD2 4.27Å; L406-I408 HydrophobicContact CD1-CD1 4.43Å; L406-I408 HydrophobicContact CD1-CG1 3.82Å; L406-I408 HydrophobicContact CG-CG1 4.25Å; L406-K454 CarbonylContact O-C 3.48Å; L406-I455 CarbonylContact C-O 3.58Å; L406-I455 HydrophobicContact CB-CB 4.21Å; L406-I455 HydrophobicContact CD2-CB 4.45Å; L406-I455 HydrophobicContact CD2-CD1 4.15Å; L406-I455 HydrophobicContact CG-CB 4.48Å; L406-I455 PolarHBondContact N-O 2.86Å; L406-I455 PolarHBondContact O-N 3.19Å; L406-T458 HydrophobicContact CB-CG2 4.45Å; L406-L508 HydrophobicContact CD2-CD1 3.99Å; L406-L508 HydrophobicContact CD2-CD2 3.67Å
407E83.8Confident79.9Confident115 Ų11564.1 Ų64.154%0.53736%0.355SS..EExtended strand (participates in β ladder)trans-122.9134.1163.9-53.9-160.7166.300110.3V452 L453 K454E407-V452 HydrophobicContact CB-CG1 4.25Å; E407-L453 CarbonylContact C-O 3.49Å; E407-L453 WeakPolarHBondContact CA-O 3.33Å; E407-K454 HydrophobicContact CB-CG 4.41Å; E407-K454 HydrophobicContact CG-CB 4.24Å; E407-K454 HydrophobicContact CG-CG 3.88Å; E407-K454 WeakPolarHBondContact OE1-CD 3.23Å; E407-K454 IonicContact OE1-NZ 2.64Å; E407-K454 PolarHBondContact OE1-NZ 2.71Å; E407-K454 IonicContact OE2-NZ 2.65Å; E407-K454 PolarHBondContact OE2-NZ 2.84Å
408I83.2Confident80.2Confident1 Ų160.2 Ų60.21%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-115.4119.2178.9-34.9-178.9000109.3V394 V398 L406 W423 V452 L453 V506V394-I408 HydrophobicContact CG2-CG2 3.84Å; V398-I408 HydrophobicContact CG2-CD1 3.68Å; V398-I408 HydrophobicContact CG2-CG1 4.33Å; L406-I408 HydrophobicContact CD1-CD1 4.43Å; L406-I408 HydrophobicContact CD1-CG1 3.82Å; L406-I408 HydrophobicContact CG-CG1 4.25Å; I408-W423 HydrophobicContact CB-CH2 3.73Å; I408-W423 HydrophobicContact CB-CZ2 4.3Å; I408-W423 HydrophobicContact CG2-CH2 3.64Å; I408-W423 HydrophobicContact CG2-CZ2 4.39Å; I408-W423 WeakPolarHBondContact O-CZ2 3.36Å; I408-V452 CarbonylContact O-C 3.58Å; I408-V452 WeakPolarHBondContact O-CA 3.44Å; I408-L453 HydrophobicContact CB-CB 4.35Å; I408-L453 HydrophobicContact CD1-CD2 3.84Å; I408-L453 HydrophobicContact CG1-CD2 4.2Å; I408-L453 PolarHBondContact N-O 3.03Å; I408-L453 PolarHBondContact O-N 2.63Å; I408-V506 HydrophobicContact CD1-CG1 4.15Å; I408-V506 HydrophobicContact CD1-CG2 4.29Å
409A85.3Confident80Confident44 Ų4464.1 Ų64.136%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-98.7140.3176.300000111.5V452A409-V452 HydrophobicContact CB-CG2 4.1Å
410C86.2Confident80.3Confident7 Ų762.3 Ų62.35%0.04736%0.364CS..  trans-100.7129.4173.1-1800000109.3I421 W423 S451 C468C410-I421 HydrophobicContact CB-CG2 4.37Å; C410-W423 HydrophobicContact CB-CZ2 3.64Å; C410-S451 PolarHBondContact N-O 3.08Å; C410-C468 HydrophobicContact CB-CB 3.76Å; C410-C468 WeakPolarHBondContact CB-SG 3.5Å; C410-C468 WeakPolarHBondContact SG-CB 3.37Å; C410-C468 CovalentContact SG-SG 2.03Å; C410-C468 PolarHBondContact SG-SG 3.41Å
411R85Confident80.6Confident187 Ų18765 Ų6571%0.70638%0.377SS*.EExtended strand (participates in β ladder)trans-117.9154.3-176.6-61.1177.3178.9171.3-0.3109.7H393H393-R411 HydrophobicContact CB-CB 4.37Å; H393-R411 PolarHBondContact N-O 2.93Å; H393-R411 PolarHBondContact O-N 2.64Å
412V82.2Confident80.7Confident40 Ų4065.1 Ų65.124%0.24237%0.373CS..EExtended strand (participates in β ladder)trans-130.6123.7173.9-164.50000108.1P390 T391 V392 A418 I421 A470P390-V412 HydrophobicContact CB-CG1 4.41Å; T391-V412 WeakPolarHBondContact O-CA 3.02Å; V392-V412 HydrophobicContact CG2-CG1 4.4Å; V392-V412 HydrophobicContact CG2-CG2 4.27Å; V412-A418 HydrophobicContact CB-CB 4.11Å; V412-A418 HydrophobicContact CG1-CB 3.52Å; V412-I421 HydrophobicContact CG2-CD1 3.81Å; V412-I421 HydrophobicContact CG2-CG1 3.95Å; V412-A470 HydrophobicContact CB-CB 4.41Å; V412-A470 HydrophobicContact CG1-CB 3.89Å; V412-A470 HydrophobicContact CG2-CB 3.58Å
413D79.2Confident81.1Confident55 Ų5559 Ų5929%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-108.2120.7178.2172.551.9000109.7R361 Y388 P390 T391 H393R361-D413 IonicContact NH1-OD2 2.73Å; Y388-D413 WeakPolarHBondContact CE2-OD2 3.32Å; Y388-D413 PolarHBondContact OH-OD1 2.93Å; P390-D413 CarbonylContact C-O 3.41Å; P390-D413 VanDerWaalsContact CA-O 3.28Å; P390-D413 WeakPolarHBondContact CA-O 3.4Å; T391-D413 PolarHBondContact N-O 2.79Å; T391-D413 PolarHBondContact O-N 3.02Å; T391-D413 PolarHBondContact OG1-O 3.11Å; H393-D413 WeakPolarHBondContact NE2-CB 3.19Å; H393-D413 IonicContact NE2-OD2 2.8Å
414A79.1Confident81.2Confident14 Ų1459.2 Ų59.212%0.11634%0.338CS..EExtended strand (participates in β ladder)trans-161.5137.1-173.100000110.7P390 P416P390-A414 HydrophobicContact CB-CB 3.67Å; A414-P416 CarbonylContact C-O 3.44Å; A414-P416 WeakPolarHBondContact CB-O 3.26Å; A414-P416 CarbonylContact O-C 3.58Å
415N80.1Confident80.9Confident54 Ų5459.9 Ų59.929%0.28934%0.338SS..EExtended strand (participates in β ladder)trans-131.188.3176-174.715.3000109.6V386 Y388V386-N415 PolarHBondContact O-ND2 3.19Å; Y388-N415 HydrophobicContact CD1-CB 4.05Å; Y388-N415 HydrophobicContact CD2-CB 4.04Å; Y388-N415 HydrophobicContact CE1-CB 3.7Å; Y388-N415 HydrophobicContact CE2-CB 3.72Å; Y388-N415 HydrophobicContact CG-CB 4.2Å; Y388-N415 PolarHBondContact N-O 3.03Å; Y388-N415 CarbonylContact O-C 3.59Å; Y388-N415 PolarHBondContact O-N 2.71Å; Y388-N415 VanDerWaalsContact O-O 3.05Å
416P77.8Confident80.2Confident79 Ų7959.9 Ų59.951%0.51333%0.326SS..SBendcis-83.8172.214.934.6-38000115.8A414A414-P416 CarbonylContact C-O 3.44Å; A414-P416 WeakPolarHBondContact CB-O 3.26Å; A414-P416 CarbonylContact O-C 3.58Å
417V77.7Confident78.9Confident122 Ų12268.3 Ų68.374%0.73936%0.363SS*.PPolyproline II helixtrans-68.9163.4-169.3-63.20000116.3
418A80.7Confident77.5Confident40 Ų4069.3 Ų69.333%0.33137%0.365SS..EExtended strand (participates in β ladder)trans-94.9169.2-172.900000115.1V412 D471V412-A418 HydrophobicContact CB-CB 4.11Å; V412-A418 HydrophobicContact CG1-CB 3.52Å; A418-D471 CarbonylContact C-O 3.55Å; A418-D471 VanDerWaalsContact CA-O 3.24Å; A418-D471 WeakPolarHBondContact CA-O 3.32Å; A418-D471 WeakPolarHBondContact CB-O 3Å
419S75.6Confident75.4Confident91 Ų9173.6 Ų73.664%0.63639%0.394SS*.EExtended strand (participates in β ladder)trans-125.2-8.6-166.560.40000119D471S419-D471 PolarHBondContact N-O 3.07Å; S419-D471 PolarHBondContact OG-O 2Å
420S80.8Confident73.3Confident43 Ų4376.2 Ų76.230%0.30140%0.401SS..EExtended strand (participates in β ladder)trans-153.4152.9178.3104.20000113.4A470 D471S420-A470 WeakPolarHBondContact O-CA 3.4Å; S420-A470 WeakPolarHBondContact O-CB 3.46Å; S420-D471 WeakPolarHBondContact CB-OD2 3.45Å; S420-D471 PolarHBondContact OG-OD2 3.28Å
421I84.5Confident71.4Confident66 Ų6684.7 Ų84.734%0.33844%0.44SS..EExtended strand (participates in β ladder)trans-153.8137.7179.8-47.9178.3000113.8C410 V412 H469C410-I421 HydrophobicContact CB-CG2 4.37Å; V412-I421 HydrophobicContact CG2-CD1 3.81Å; V412-I421 HydrophobicContact CG2-CG1 3.95Å; I421-H469 WeakPolarHBondContact CA-O 3.35Å
422Y81Confident69.6Low68 Ų6881.4 Ų81.427%0.26744%0.441SS..EExtended strand (participates in β ladder)trans-165.1168.3173.863.1-88.9000115.9D449 C468 H469Y422-D449 WeakPolarHBondContact CB-OD1 3.35Å; Y422-C468 WeakPolarHBondContact O-CA 3.28Å; Y422-C468 PolarHBondContact O-SG 3.41Å; Y422-H469 HydrophobicContact CD1-CB 4.26Å; Y422-H469 AromaticContact CD2-CD2 3.7Å; Y422-H469 HydrophobicContact CE1-CB 3.68Å; Y422-H469 HydrophobicContact CE2-CB 4.01Å; Y422-H469 AromaticContact CE2-CD2 3.14Å; Y422-H469 WeakPolarHBondContact CE2-CD2 3.37Å; Y422-H469 AromaticContact CE2-CG 3.6Å; Y422-H469 AromaticContact CE2-NE2 3.7Å; Y422-H469 AromaticContact CZ-CD2 3.56Å; Y422-H469 AromaticContact CZ-CG 3.48Å; Y422-H469 VanDerWaalsContact CZ-CG 3.48Å; Y422-H469 PolarHBondContact O-N 3.41Å
423W84.8Confident67.6Low2 Ų290.1 Ų90.11%0.00847%0.47CS..EExtended strand (participates in β ladder)trans-130.1159.7-169.2-75.189.8000119.7V394 I408 C410 R447 I448 G450 S451 L453 F467 C468 V506V394-W423 HydrophobicContact CB-CH2 4.25Å; V394-W423 HydrophobicContact CG2-CH2 3.3Å; V394-W423 HydrophobicContact CG2-CZ2 4.17Å; V394-W423 HydrophobicContact CG2-CZ3 3.78Å; I408-W423 HydrophobicContact CB-CH2 3.73Å; I408-W423 HydrophobicContact CB-CZ2 4.3Å; I408-W423 HydrophobicContact CG2-CH2 3.64Å; I408-W423 HydrophobicContact CG2-CZ2 4.39Å; I408-W423 WeakPolarHBondContact O-CZ2 3.36Å; C410-W423 HydrophobicContact CB-CZ2 3.64Å; W423-R447 WeakPolarHBondContact O-CA 3.48Å; W423-I448 HydrophobicContact CB-CB 4.19Å; W423-I448 WeakPolarHBondContact CB-O 3.47Å; W423-I448 PolarHBondContact N-O 3.32Å; W423-I448 PolarHBondContact O-N 3.1Å; W423-G450 VanDerWaalsContact CD1-O 3.28Å; W423-S451 VanDerWaalsContact NE1-C 3.27Å; W423-S451 PolarHBondContact NE1-O 3.31Å; W423-L453 HydrophobicContact CH2-CB 4.45Å; W423-L453 HydrophobicContact CZ2-CB 4.42Å; W423-F467 CarbonylContact C-O 3.58Å; W423-F467 WeakPolarHBondContact CA-O 3.49Å; W423-C468 HydrophobicContact CD2-CB 3.94Å; W423-C468 HydrophobicContact CE3-CB 4.18Å; W423-C468 HydrophobicContact CG-CB 4.3Å; W423-V506 HydrophobicContact CZ3-CG1 4.17Å
424T78.8Confident65.8Low43 Ų4392.9 Ų92.926%0.26448%0.483SS..EExtended strand (participates in β ladder)trans-151.5175.2170.9670000116Y466 F467T424-Y466 CarbonylContact O-C 3.28Å; T424-Y466 VanDerWaalsContact O-CA 3.28Å; T424-Y466 WeakPolarHBondContact O-CA 3.48Å; T424-Y466 WeakPolarHBondContact O-CB 3.1Å; T424-F467 PolarHBondContact N-O 3.4Å; T424-F467 PolarHBondContact O-N 2.62Å
425Y76.8Confident64Low96 Ų96103.9 Ų103.938%0.37652%0.522SS..EExtended strand (participates in β ladder)trans-156.5164.1179.786.1-85.2000120.2S445 Q465 Y466Y425-S445 PolarHBondContact O-OG 3.2Å; Y425-Q465 CarbonylContact C-O 3.5Å; Y425-Q465 WeakPolarHBondContact CA-O 3.22Å; Y425-Y466 HydrophobicContact CD2-CE1 4.1Å; Y425-Y466 AromaticContact CG-CD1 3.93Å; Y425-Y466 HydrophobicContact CG-CD1 3.93Å; Y425-Y466 AromaticContact CG-CE1 3.86Å; Y425-Y466 HydrophobicContact CG-CE1 3.86Å
426N61.9Low62Low79 Ų79108.1 Ų108.142%0.42254%0.544SS..EExtended strand (participates in β ladder)trans-143.3151.5179.9-73.2-23.1000113.9Q465N426-Q465 PolarHBondContact N-O 2.91Å; N426-Q465 PolarHBondContact O-N 2.9Å; N426-Q465 VanDerWaalsContact O-O 3.11Å
427K52.2Low59.7Low189 Ų189112.7 Ų112.782%0.82256%0.559SS**EExtended strand (participates in β ladder)trans-105.1150.1174.7-89.8-166.3173.8-169.10113.6
428F53.4Low58Low135 Ų135113 Ų11359%0.59257%0.566SS**PPolyproline II helixtrans-93.9150.9165.5-80.7-104.2000111.6Q465F428-Q465 HydrophobicContact CE2-CB 4.25Å
429P40.1Very low55.8Low92 Ų92116.9 Ų116.960%0.59759%0.586SS**PPolyproline II helixtrans-88.1137.5175.833.3-32.8000113.4Q431 I434P429-Q431 PolarHBondContact O-N 2.91Å; P429-I434 HydrophobicContact CB-CD1 3.77Å
430D41.7Very low53.8Low98 Ų98120 Ų12052%0.52460%0.595SS.*PPolyproline II helixtrans-73.6118171177.1-9.9000110.4T432 I434D430-T432 VanDerWaalsContact C-N 3.26Å; D430-T432 PolarHBondContact O-N 2.66Å; D430-T432 PolarHBondContact OD1-N 2.93Å; D430-T432 PolarHBondContact OD1-OG1 2.89Å; D430-I434 WeakPolarHBondContact O-CD1 3.28Å; D430-I434 WeakPolarHBondContact O-CG1 3.26Å
431Q46.6Very low51.5Low186 Ų186125 Ų12587%0.86961%0.613SS**THydrogen-bonded Turntrans-74.9-8-174.4-68.9-169.5-15.800114.6P429P429-Q431 PolarHBondContact O-N 2.91Å
432T46.7Very low48.9Very low117 Ų117130.5 Ų130.572%0.71863%0.63SS**THydrogen-bonded Turntrans-90.4-9.8-174.664.80000114.9D430D430-T432 VanDerWaalsContact C-N 3.26Å; D430-T432 PolarHBondContact O-N 2.66Å; D430-T432 PolarHBondContact OD1-N 2.93Å; D430-T432 PolarHBondContact OD1-OG1 2.89Å
433R39.9Very low46.7Very low224 Ų224135.9 Ų135.985%0.84566%0.655SS**SBendtrans-133.530.7-179.2-67.2-165.4178.5-158.21.8115.1
434I40.9Very low44.8Very low113 Ų113143.4 Ų143.458%0.57969%0.69SS**  trans-123.875.7176.5-49.2175.1000110.6P429 D430P429-I434 HydrophobicContact CB-CD1 3.77Å; D430-I434 WeakPolarHBondContact O-CD1 3.28Å; D430-I434 WeakPolarHBondContact O-CG1 3.26Å
435R42Very low43.5Very low245 Ų245144.7 Ų144.793%0.92570%0.701SS**SBendtrans-120.7-19.8156.7-96.5-167.2176.7-157.3-0.4113.7
436D37.2Very low42.6Very low142 Ų142147.7 Ų147.776%0.75972%0.716SS**SBendtrans-108.8146.8179.8-62.5-59.2000111.8
437Q30.7Very low43.2Very low176 Ų176150.7 Ų150.782%0.82272%0.721SS**  trans66.780.7172.2-57.9-170.4-6.800116.8T439Q437-T439 PolarHBondContact O-N 3.23Å
438S41.8Very low44.5Very low128 Ų128144.6 Ų144.690%0.89570%0.697SS**  trans-71.357.9170.654.60000114.4
439T34.1Very low45.6Very low121 Ų121143.1 Ų143.174%0.74270%0.695SS**  trans-145.382.8170.448.60000111.6Q437Q437-T439 PolarHBondContact O-N 3.23Å
440L33.9Very low47.5Very low157 Ų157140.6 Ų140.682%0.82269%0.685SS**  trans-126.5102.6166.5-101.9165.9000109.7F443L440-F443 HydrophobicContact CD2-CE2 4.44Å
441H32.3Very low49.4Very low148 Ų148138.6 Ų138.669%0.68568%0.68SS**PPolyproline II helixtrans-66.3143.6172.8-130.9-96.4000109.6F443H441-F443 PolarHBondContact O-N 3.33Å
442W31.1Very low51.2Low181 Ų181132.3 Ų132.369%0.68665%0.654SS**PPolyproline II helixtrans-60.3128.717646.6-84.7000110.7Q444W442-Q444 HydrophobicContact CE3-CG 4.18Å; W442-Q444 HydrophobicContact CZ3-CG 3.62Å
443F33.8Very low52.9Low181 Ų181127.5 Ų127.579%0.79462%0.623SS**PPolyproline II helixtrans-85.4135.3173.4-82.7-92.3000110.5L440 H441 S445L440-F443 HydrophobicContact CD2-CE2 4.44Å; H441-F443 PolarHBondContact O-N 3.33Å; F443-S445 PolarHBondContact O-N 2.98Å
444Q44.2Very low54.9Low161 Ų161123.1 Ų123.175%0.75261%0.61SS**PPolyproline II helixtrans-70125.2-179.7-72.5168.1-19.400111.8W442 K446W442-Q444 HydrophobicContact CE3-CG 4.18Å; W442-Q444 HydrophobicContact CZ3-CG 3.62Å; Q444-K446 PolarHBondContact O-N 2.81Å
445S52.3Low56.8Low70 Ų70119.3 Ų119.349%0.4959%0.591SS.*PPolyproline II helixtrans-67.1121.4178.8-51.50000111.7Y425 F443Y425-S445 PolarHBondContact O-OG 3.2Å; F443-S445 PolarHBondContact O-N 2.98Å
446K57.3Low58.3Low158 Ų158112.2 Ų112.269%0.68758%0.577SS**PPolyproline II helixtrans-85.5124.3-179.2-164.5174.6-177179.90110.9Q444Q444-K446 PolarHBondContact O-N 2.81Å
447R74.3Confident59.9Low143 Ų143111.3 Ų111.354%0.5457%0.567SS.*PPolyproline II helixtrans-68.4142.2171175.4175.6169.6156.5-0.1110.3W423 D449W423-R447 WeakPolarHBondContact O-CA 3.48Å; R447-D449 IonicContact CZ-OD1 3.16Å; R447-D449 IonicContact CZ-OD2 3.84Å; R447-D449 IonicContact NE-OD1 2.8Å; R447-D449 PolarHBondContact NE-OD1 3.15Å; R447-D449 IonicContact NE-OD2 3.23Å; R447-D449 PolarHBondContact NE-OD2 2.83Å; R447-D449 IonicContact NH2-OD1 2.68Å; R447-D449 PolarHBondContact NH2-OD1 3.04Å; R447-D449 IonicContact NH2-OD2 3.72Å
448I80.1Confident62.2Low61 Ų61102.9 Ų102.931%0.31353%0.528SS..EExtended strand (participates in β ladder)trans-126.2121.2172-61.3171.4000107.3W423 L453W423-I448 HydrophobicContact CB-CB 4.19Å; W423-I448 WeakPolarHBondContact CB-O 3.47Å; W423-I448 PolarHBondContact N-O 3.32Å; W423-I448 PolarHBondContact O-N 3.1Å; I448-L453 HydrophobicContact CD1-CD1 3.53Å
449D76.7Confident63.7Low104 Ų104101.7 Ų101.756%0.55651%0.505SS*.EExtended strand (participates in β ladder)trans-91.3151177.8-76-50.6000111.9Y422 R447Y422-D449 WeakPolarHBondContact CB-OD1 3.35Å; R447-D449 IonicContact CZ-OD1 3.16Å; R447-D449 IonicContact CZ-OD2 3.84Å; R447-D449 IonicContact NE-OD1 2.8Å; R447-D449 PolarHBondContact NE-OD1 3.15Å; R447-D449 IonicContact NE-OD2 3.23Å; R447-D449 PolarHBondContact NE-OD2 2.83Å; R447-D449 IonicContact NH2-OD1 2.68Å; R447-D449 PolarHBondContact NH2-OD1 3.04Å; R447-D449 IonicContact NH2-OD2 3.72Å
450G79.9Confident65.4Low38 Ų3899.5 Ų99.539%0.39249%0.492SS..SBendtrans100.5-179.4-17000000112.6W423W423-G450 VanDerWaalsContact CD1-O 3.28Å
451S81.5Confident67.2Low57 Ų57100 Ų10040%0.39949%0.485SS..SBendtrans-94.5-7.1-172.352.90000115.2C410 W423C410-S451 PolarHBondContact N-O 3.08Å; W423-S451 VanDerWaalsContact NE1-C 3.27Å; W423-S451 PolarHBondContact NE1-O 3.31Å
452V83.7Confident69.5Low54 Ų5495.5 Ų95.533%0.32746%0.464SS..EExtended strand (participates in β ladder)trans-133.4134.2-170-173.20000113.8E407 I408 A409 K454E407-V452 HydrophobicContact CB-CG1 4.25Å; I408-V452 CarbonylContact O-C 3.58Å; I408-V452 WeakPolarHBondContact O-CA 3.44Å; A409-V452 HydrophobicContact CB-CG2 4.1Å; V452-K454 HydrophobicContact CG1-CG 4.32Å
453L83.6Confident71.4Confident15 Ų1588.8 Ų88.88%0.07945%0.447CS..EExtended strand (participates in β ladder)trans-100.3149.1170.4-177.176.5000110.6E407 I408 W423 I448 Y466E407-L453 CarbonylContact C-O 3.49Å; E407-L453 WeakPolarHBondContact CA-O 3.33Å; I408-L453 HydrophobicContact CB-CB 4.35Å; I408-L453 HydrophobicContact CD1-CD2 3.84Å; I408-L453 HydrophobicContact CG1-CD2 4.2Å; I408-L453 PolarHBondContact N-O 3.03Å; I408-L453 PolarHBondContact O-N 2.63Å; W423-L453 HydrophobicContact CH2-CB 4.45Å; W423-L453 HydrophobicContact CZ2-CB 4.42Å; I448-L453 HydrophobicContact CD1-CD1 3.53Å; L453-Y466 HydrophobicContact CD1-CD1 4.35Å; L453-Y466 HydrophobicContact CD2-CD1 3.34Å; L453-Y466 HydrophobicContact CD2-CE1 3.69Å; L453-Y466 HydrophobicContact CD2-CG 3.93Å; L453-Y466 HydrophobicContact CG-CD1 4.49Å
454K81.7Confident73.5Confident132 Ų13280.4 Ų80.457%0.57441%0.412SS*.EExtended strand (participates in β ladder)trans-140.8138.3-176.9-54.3-178.9179.5-88.40113.9L406 E407 V452L406-K454 CarbonylContact O-C 3.48Å; E407-K454 HydrophobicContact CB-CG 4.41Å; E407-K454 HydrophobicContact CG-CB 4.24Å; E407-K454 HydrophobicContact CG-CG 3.88Å; E407-K454 WeakPolarHBondContact OE1-CD 3.23Å; E407-K454 IonicContact OE1-NZ 2.64Å; E407-K454 PolarHBondContact OE1-NZ 2.71Å; E407-K454 IonicContact OE2-NZ 2.65Å; E407-K454 PolarHBondContact OE2-NZ 2.84Å; V452-K454 HydrophobicContact CG1-CG 4.32Å
455I81.7Confident75.2Confident34 Ų3475.1 Ų75.117%0.17439%0.387CS..EExtended strand (participates in β ladder)trans-145.8133.9178.5-64.8174.2000108.8L406L406-I455 CarbonylContact C-O 3.58Å; L406-I455 HydrophobicContact CB-CB 4.21Å; L406-I455 HydrophobicContact CD2-CB 4.45Å; L406-I455 HydrophobicContact CD2-CD1 4.15Å; L406-I455 HydrophobicContact CG-CB 4.48Å; L406-I455 PolarHBondContact N-O 2.86Å; L406-I455 PolarHBondContact O-N 3.19Å
456P73.6Confident76.7Confident96 Ų9673.3 Ų73.362%0.62337%0.37SS*.  trans-94.9-22-165.134.4-36.5000118.6A405A405-P456 WeakPolarHBondContact CA-O 3.22Å; A405-P456 VanDerWaalsContact CB-O 3.31Å; A405-P456 WeakPolarHBondContact CB-O 2.99Å
457H69.4Low77.9Confident122 Ų12268 Ų6857%0.56535%0.347SS*.  trans-149.9136179.8-70.686.1000110.8E404 H462E404-H457 CarbonylContact O-C 3.56Å; E404-H457 VanDerWaalsContact O-C 3.28Å; E404-H457 WeakPolarHBondContact O-CA 3.44Å; H457-H462 PolarHBondContact O-CE1 2.96Å
458T78.7Confident78.6Confident0 Ų061.2 Ų61.20%032%0.321CS..  trans-110.9153.3-177.451.50000114.9V400 N401 G403 E404 L406V400-T458 HydrophobicContact CB-CG2 3.97Å; V400-T458 HydrophobicContact CG1-CG2 3.66Å; V400-T458 VanDerWaalsContact CG1-OG1 3.25Å; V400-T458 WeakPolarHBondContact CG1-OG1 3.48Å; V400-T458 HydrophobicContact CG2-CG2 4.27Å; N401-T458 PolarHBondContact O-OG1 3.02Å; G403-T458 WeakPolarHBondContact CA-O 3.04Å; G403-T458 PolarHBondContact N-O 3.08Å; E404-T458 PolarHBondContact N-OG1 3.01Å; E404-T458 PolarHBondContact O-N 3.37Å; E404-T458 PolarHBondContact O-OG1 2.94Å; E404-T458 VanDerWaalsContact O-OG1 3.12Å; L406-T458 HydrophobicContact CB-CG2 4.45Å
459Y73.3Confident78.8Confident103 Ų10360.4 Ų60.440%0.40432%0.316SS..  trans-159.2150.8179.3-71.5-79.6000107.9E402 Y461 H462 I510E402-Y459 HydrophobicContact CG-CD1 3.91Å; E402-Y459 HydrophobicContact CG-CE1 4.37Å; Y459-Y461 HydrophobicContact CD2-CE1 4.18Å; Y459-Y461 AromaticContact CD2-CZ 3.94Å; Y459-Y461 VanDerWaalsContact CD2-OH 3.24Å; Y459-Y461 WeakPolarHBondContact CD2-OH 3.09Å; Y459-Y461 AromaticContact CG-CE1 3.85Å; Y459-Y461 HydrophobicContact CG-CE1 3.85Å; Y459-Y461 PolarHBondContact O-N 3.44Å; Y459-H462 PolarHBondContact N-ND1 2.92Å; Y459-H462 WeakPolarHBondContact O-CB 3.37Å; Y459-H462 PolarHBondContact O-N 2.76Å; Y459-H462 PolarHBondContact O-ND1 2.57Å; Y459-I510 WeakPolarHBondContact O-CD1 3.36Å
460P70.8Confident79.2Confident74 Ų7455.7 Ų55.748%0.48129%0.291SS..G310 helixtrans-42.9-31.1-170-3536.7000117.8E402 H462 I510E402-P460 WeakPolarHBondContact OE1-CD 2.85Å; P460-H462 VanDerWaalsContact C-N 3.32Å; P460-H462 PolarHBondContact O-N 2.9Å; P460-I510 HydrophobicContact CG-CG2 4.08Å
461Y72.4Confident79.2Confident168 Ų16855.8 Ų55.866%0.65928%0.283SS*.G310 helixtrans-75.1-5.9178.161.4-101.5000115.8Y459 A463Y459-Y461 HydrophobicContact CD2-CE1 4.18Å; Y459-Y461 AromaticContact CD2-CZ 3.94Å; Y459-Y461 VanDerWaalsContact CD2-OH 3.24Å; Y459-Y461 WeakPolarHBondContact CD2-OH 3.09Å; Y459-Y461 AromaticContact CG-CE1 3.85Å; Y459-Y461 HydrophobicContact CG-CE1 3.85Å; Y459-Y461 PolarHBondContact O-N 3.44Å; Y461-A463 PolarHBondContact O-N 2.97Å
462H79Confident78.8Confident54 Ų5454.2 Ų54.225%0.2527%0.273CS..G310 helixtrans-74.2-4.1-178.3-84.9101000114.5H457 Y459 P460 L508H457-H462 PolarHBondContact O-CE1 2.96Å; Y459-H462 PolarHBondContact N-ND1 2.92Å; Y459-H462 WeakPolarHBondContact O-CB 3.37Å; Y459-H462 PolarHBondContact O-N 2.76Å; Y459-H462 PolarHBondContact O-ND1 2.57Å; P460-H462 VanDerWaalsContact C-N 3.32Å; P460-H462 PolarHBondContact O-N 2.9Å; H462-L508 HydrophobicContact CB-CD2 4.24Å; H462-L508 VanDerWaalsContact O-CD2 3.24Å; H462-L508 WeakPolarHBondContact O-CD2 3.14Å
463A72.3Confident77.7Confident40 Ų4059.8 Ų59.833%0.33130%0.296SS..  trans-55.5134.1-17900000114.3Y461 L508Y461-A463 PolarHBondContact O-N 2.97Å; A463-L508 WeakPolarHBondContact CA-O 3.41Å; A463-L508 WeakPolarHBondContact CB-O 3.42Å
464G77.6Confident76.2Confident5 Ų563.4 Ų63.45%0.05231%0.314CS..EExtended strand (participates in β ladder)trans174.8172.8-17200000114.6N507 L508G464-N507 CarbonylContact O-C 3.54Å; G464-N507 WeakPolarHBondContact O-CA 3Å; G464-L508 PolarHBondContact O-N 2.78Å
465Q79.7Confident74.7Confident50 Ų5068.3 Ų68.323%0.23433%0.331CS..EExtended strand (participates in β ladder)trans-118138.9-171.2-167.7170.819.400114.8Y425 N426 F428 F467 V506 N507Y425-Q465 CarbonylContact C-O 3.5Å; Y425-Q465 WeakPolarHBondContact CA-O 3.22Å; N426-Q465 PolarHBondContact N-O 2.91Å; N426-Q465 PolarHBondContact O-N 2.9Å; N426-Q465 VanDerWaalsContact O-O 3.11Å; F428-Q465 HydrophobicContact CE2-CB 4.25Å; Q465-F467 HydrophobicContact CG-CE2 4.11Å; Q465-F467 HydrophobicContact CG-CZ 4.16Å; Q465-V506 CarbonylContact C-O 3.58Å; Q465-V506 WeakPolarHBondContact CA-O 3.26Å; Q465-V506 WeakPolarHBondContact CG-O 3.08Å; Q465-N507 WeakPolarHBondContact CB-OD1 3.49Å; Q465-N507 VanDerWaalsContact CD-OD1 3.29Å; Q465-N507 WeakPolarHBondContact CG-OD1 3.35Å
466Y84Confident73.3Confident32 Ų3271.2 Ų71.213%0.12535%0.345CS..EExtended strand (participates in β ladder)trans-135.2166.8179.9-46.5-118.6000111.8T424 Y425 L453 A505 V506T424-Y466 CarbonylContact O-C 3.28Å; T424-Y466 VanDerWaalsContact O-CA 3.28Å; T424-Y466 WeakPolarHBondContact O-CA 3.48Å; T424-Y466 WeakPolarHBondContact O-CB 3.1Å; Y425-Y466 HydrophobicContact CD2-CE1 4.1Å; Y425-Y466 AromaticContact CG-CD1 3.93Å; Y425-Y466 HydrophobicContact CG-CD1 3.93Å; Y425-Y466 AromaticContact CG-CE1 3.86Å; Y425-Y466 HydrophobicContact CG-CE1 3.86Å; L453-Y466 HydrophobicContact CD1-CD1 4.35Å; L453-Y466 HydrophobicContact CD2-CD1 3.34Å; L453-Y466 HydrophobicContact CD2-CE1 3.69Å; L453-Y466 HydrophobicContact CD2-CG 3.93Å; L453-Y466 HydrophobicContact CG-CD1 4.49Å; Y466-A505 CarbonylContact O-C 3.45Å; Y466-A505 VanDerWaalsContact O-CA 3.22Å; Y466-A505 WeakPolarHBondContact O-CA 3.35Å; Y466-V506 VanDerWaalsContact CB-CG1 3.48Å; Y466-V506 HydrophobicContact CD2-CG1 4.18Å; Y466-V506 HydrophobicContact CG-CG1 4.22Å; Y466-V506 PolarHBondContact N-O 2.89Å; Y466-V506 PolarHBondContact O-N 3.02Å
467F82.9Confident72.2Confident47 Ų4771.3 Ų71.321%0.20635%0.346CS..EExtended strand (participates in β ladder)trans-145.6155.7-174.1-57.7-102.2000114.9W423 T424 Q465 A504 A505W423-F467 CarbonylContact C-O 3.58Å; W423-F467 WeakPolarHBondContact CA-O 3.49Å; T424-F467 PolarHBondContact N-O 3.4Å; T424-F467 PolarHBondContact O-N 2.62Å; Q465-F467 HydrophobicContact CG-CE2 4.11Å; Q465-F467 HydrophobicContact CG-CZ 4.16Å; F467-A504 CarbonylContact C-O 3.6Å; F467-A504 VanDerWaalsContact CA-O 3.29Å; F467-A504 WeakPolarHBondContact CA-O 3.38Å; F467-A505 HydrophobicContact CD1-CB 3.35Å; F467-A505 HydrophobicContact CE1-CB 3.46Å; F467-A505 VanDerWaalsContact CE1-CB 3.46Å; F467-A505 HydrophobicContact CG-CB 4.11Å; F467-A505 HydrophobicContact CZ-CB 4.29Å
468C87.6Confident71Confident0 Ų074 Ų740%036%0.356CS..EExtended strand (participates in β ladder)trans-147.6159.4176.1-177.10000115.2C410 Y422 W423 F503 A504C410-C468 HydrophobicContact CB-CB 3.76Å; C410-C468 WeakPolarHBondContact CB-SG 3.5Å; C410-C468 WeakPolarHBondContact SG-CB 3.37Å; C410-C468 CovalentContact SG-SG 2.03Å; C410-C468 PolarHBondContact SG-SG 3.41Å; Y422-C468 WeakPolarHBondContact O-CA 3.28Å; Y422-C468 PolarHBondContact O-SG 3.41Å; W423-C468 HydrophobicContact CD2-CB 3.94Å; W423-C468 HydrophobicContact CE3-CB 4.18Å; W423-C468 HydrophobicContact CG-CB 4.3Å; C468-F503 CarbonylContact O-C 3.33Å; C468-F503 WeakPolarHBondContact O-CA 3.48Å; C468-F503 WeakPolarHBondContact O-CB 3.29Å; C468-A504 PolarHBondContact N-O 3.12Å; C468-A504 PolarHBondContact O-N 3.18Å
469H85.4Confident69.6Low44 Ų4480.4 Ų80.420%0.20439%0.39CS..EExtended strand (participates in β ladder)trans-139.9162.3-169.1-53.1-102.6000116.2I421 Y422 S502 F503I421-H469 WeakPolarHBondContact CA-O 3.35Å; Y422-H469 HydrophobicContact CD1-CB 4.26Å; Y422-H469 AromaticContact CD2-CD2 3.7Å; Y422-H469 HydrophobicContact CE1-CB 3.68Å; Y422-H469 HydrophobicContact CE2-CB 4.01Å; Y422-H469 AromaticContact CE2-CD2 3.14Å; Y422-H469 WeakPolarHBondContact CE2-CD2 3.37Å; Y422-H469 AromaticContact CE2-CG 3.6Å; Y422-H469 AromaticContact CE2-NE2 3.7Å; Y422-H469 AromaticContact CZ-CD2 3.56Å; Y422-H469 AromaticContact CZ-CG 3.48Å; Y422-H469 VanDerWaalsContact CZ-CG 3.48Å; Y422-H469 PolarHBondContact O-N 3.41Å; H469-S502 CarbonylContact C-O 3.51Å; H469-S502 WeakPolarHBondContact CA-O 3.45Å; H469-F503 HydrophobicContact CB-CB 4.18Å; H469-F503 VanDerWaalsContact ND1-CB 3.3Å; H469-F503 WeakPolarHBondContact ND1-CB 3.22Å; H469-F503 AromaticContact ND1-CG 3.96Å
470A84.9Confident68.5Low5 Ų577.3 Ų77.34%0.04138%0.38CS..EExtended strand (participates in β ladder)trans-166.6170.3171.500000118.4V392 V412 S420 R501 S502V392-A470 HydrophobicContact CG2-CB 3.37Å; V412-A470 HydrophobicContact CB-CB 4.41Å; V412-A470 HydrophobicContact CG1-CB 3.89Å; V412-A470 HydrophobicContact CG2-CB 3.58Å; S420-A470 WeakPolarHBondContact O-CA 3.4Å; S420-A470 WeakPolarHBondContact O-CB 3.46Å; A470-R501 WeakPolarHBondContact O-CA 3.37Å; A470-S502 PolarHBondContact N-O 2.71Å; A470-S502 PolarHBondContact O-N 3.45Å
471D79.2Confident67.4Low39 Ų3980.7 Ų80.721%0.20938%0.383CS..EExtended strand (participates in β ladder)trans-136.2167.3-176.3-54.8-93.6000115.4A418 S419 S420 S500 R501A418-D471 CarbonylContact C-O 3.55Å; A418-D471 VanDerWaalsContact CA-O 3.24Å; A418-D471 WeakPolarHBondContact CA-O 3.32Å; A418-D471 WeakPolarHBondContact CB-O 3Å; S419-D471 PolarHBondContact N-O 3.07Å; S419-D471 PolarHBondContact OG-O 2Å; S420-D471 WeakPolarHBondContact CB-OD2 3.45Å; S420-D471 PolarHBondContact OG-OD2 3.28Å; D471-S500 CarbonylContact C-O 3.58Å; D471-S500 WeakPolarHBondContact CA-O 3.3Å; D471-R501 WeakPolarHBondContact OD1-CD 3.38Å; D471-R501 WeakPolarHBondContact OD1-CG 3.28Å; D471-R501 IonicContact OD1-CZ 2.82Å; D471-R501 IonicContact OD1-NE 3.49Å; D471-R501 PolarHBondContact OD1-NE 3.04Å; D471-R501 IonicContact OD1-NH2 3.78Å
472A73.4Confident66.1Low24 Ų2480 Ų8020%0.19839%0.39CS..EExtended strand (participates in β ladder)trans-153.1-179.5174.200000117.8P390 S500P390-A472 HydrophobicContact CB-CB 4.12Å; P390-A472 HydrophobicContact CG-CB 3.62Å; A472-S500 PolarHBondContact N-O 3Å; A472-S500 VanDerWaalsContact N-O 3.08Å
473E60.3Low64.7Low171 Ų17181.9 Ų81.980%0.79941%0.409SS*.  trans-118.3172.9-169.4-157169.6-125.500115
474I53.1Low63.4Low91 Ų9182.6 Ų82.647%0.46741%0.406SS..  trans-126.4-18.5-148.4-69.6178.9000120.4W493I474-W493 HydrophobicContact CG2-CH2 4.47Å
475Y50.2Low62Low235 Ų23590 Ų9092%0.92245%0.445SS*.  trans-80.9141.9-171.8-87.9-89.1000115.3
476M52.3Low60.4Low95 Ų9591.5 Ų91.547%0.46845%0.453SS..  trans-142.3142.4-178.3-161.1-179.7-16400113.7L387 L480L387-M476 HydrophobicContact CB-CE 4.48Å; L387-M476 HydrophobicContact CD1-CE 3.43Å; L387-M476 VanDerWaalsContact CD1-CE 3.43Å; M476-L480 HydrophobicContact CE-CD2 4.37Å
477P49.4Very low58.8Low99 Ų9995.7 Ų95.764%0.64349%0.488SS*.  trans-76.8160.9-176.4-17.633.2000116.1
478K45.2Very low57.1Low179 Ų17998.3 Ų98.378%0.77851%0.507SS*.SBendtrans-86.7-28-167-147.4174.8-172-179.80115.1L480 W481K478-L480 VanDerWaalsContact C-N 3.26Å; K478-L480 PolarHBondContact O-N 3.15Å; K478-W481 PolarHBondContact O-N 3.06Å
479D49.4Very low55.4Low133 Ų133101.6 Ų101.671%0.71153%0.53SS*.G310 helixtrans-69.1-22.3-167.6-48.7-62.7000114W481D479-W481 PolarHBondContact O-N 3.12Å
480L49.3Very low53.8Low38 Ų38104 Ų10420%0.19955%0.552CS.*G310 helixtrans-67.7-16.4179.8-147.478.7000113.5R317 L387 M476 K478R317-L480 HydrophobicContact CB-CD1 4.17Å; L387-L480 HydrophobicContact CD1-CD2 3.77Å; M476-L480 HydrophobicContact CE-CD2 4.37Å; K478-L480 VanDerWaalsContact C-N 3.26Å; K478-L480 PolarHBondContact O-N 3.15Å
481W48.4Very low52.5Low145 Ų145110.7 Ų110.755%0.54958%0.583SS.*G310 helixtrans-82.4-27.7-174.7-76.284.3000114.3K478 D479K478-W481 PolarHBondContact O-N 3.06Å; D479-W481 PolarHBondContact O-N 3.12Å
482L44.8Very low51.5Low154 Ų154112.2 Ų112.281%0.80659%0.593SS**THydrogen-bonded Turntrans-79.8-26.4-171.9-78.6167000113.7Q484L482-Q484 VanDerWaalsContact C-N 3.32Å; L482-Q484 PolarHBondContact O-N 3.32Å
483S48.7Very low50.6Low94 Ų94117.8 Ų117.866%0.65761%0.609SS**THydrogen-bonded Turntrans-80.7-4.5-172.254.20000115.1
484Q46.7Very low50.5Low55 Ų55113.3 Ų113.326%0.25760%0.597SS.*SBendtrans-124.5-3-161.1-126.7163.158.100115.8R317 L482 L486R317-Q484 PolarHBondContact O-NE2 2.81Å; L482-Q484 VanDerWaalsContact C-N 3.32Å; L482-Q484 PolarHBondContact O-N 3.32Å; Q484-L486 HydrophobicContact CB-CD1 4.14Å; Q484-L486 HydrophobicContact CG-CD1 4.01Å; Q484-L486 PolarHBondContact O-N 3.31Å
485N46.4Very low50.7Low161 Ų161112.6 Ų112.686%0.86159%0.593SS**  trans44.236.1168.9-108.7-0.7000115.8S487N485-S487 PolarHBondContact O-N 3.19Å
486L47.5Very low51.3Low80 Ų80104.6 Ų104.642%0.41956%0.561SS.*  trans-92.7101.1-171.1-101.2151.7000111.5T322 Q484 T488T322-L486 HydrophobicContact CG2-CD1 3.92Å; T322-L486 HydrophobicContact CG2-CD2 4.39Å; Q484-L486 HydrophobicContact CB-CD1 4.14Å; Q484-L486 HydrophobicContact CG-CD1 4.01Å; Q484-L486 PolarHBondContact O-N 3.31Å; L486-T488 PolarHBondContact O-N 3.13Å
487S49.6Very low51.7Low121 Ų121106.7 Ų106.785%0.84657%0.568SS**SBendtrans-73.115.9-173.8-52.30000116.2N485N485-S487 PolarHBondContact O-N 3.19Å
488T46.9Very low52.4Low101 Ų101109.9 Ų109.962%0.6257%0.574SS**  trans-130.671.1-177.4470000110.6L486L486-T488 PolarHBondContact O-N 3.13Å
489S53.1Low53.4Low69 Ų69108 Ų10848%0.48356%0.562SS.*  trans-106.6-5.4-160.251.60000116.7
490S51.9Low54.3Low95 Ų95103.5 Ų103.566%0.66454%0.541SS*.SBendtrans-94.1-39-17250.20000115
491E57Low55.5Low145 Ų145110.7 Ų110.768%0.67857%0.566SS**Hα-helixtrans-78.8-32-170.4-64.7173.3130.700113.2W493 S494E491-W493 PolarHBondContact O-N 3.5Å; E491-S494 PolarHBondContact O-N 3.23Å; E491-S494 PolarHBondContact O-OG 2.92Å
492V58.2Low57.1Low71 Ų71105.4 Ų105.443%0.4355%0.551SS.*Hα-helixtrans-59.9-31.8-177.7-176.70000112.3
493W55Low58.8Low142 Ų142104.5 Ų104.554%0.53854%0.54SS..Hα-helixtrans-74.1-34.3-175.9-178.5-119.3000113.9I474 E491I474-W493 HydrophobicContact CG2-CH2 4.47Å; E491-W493 PolarHBondContact O-N 3.5Å
494S57.5Low60.4Low77 Ų77101.1 Ų101.154%0.53852%0.518SS..Hα-helixtrans-69.6-39.2179.964.70000111.5E491 W496 K497 Q498E491-S494 PolarHBondContact O-N 3.23Å; E491-S494 PolarHBondContact O-OG 2.92Å; S494-W496 PolarHBondContact O-N 3.06Å; S494-K497 PolarHBondContact O-N 3.45Å; S494-Q498 PolarHBondContact O-N 3.39Å
495I56.5Low61.9Low75 Ų7599.8 Ų99.839%0.38552%0.517SS..Hα-helixtrans-61.5-41.8179.1-61168.7000111.3K497 Q498 R499I495-K497 VanDerWaalsContact C-N 3.33Å; I495-K497 PolarHBondContact O-N 2.85Å; I495-Q498 PolarHBondContact O-N 2.84Å; I495-R499 PolarHBondContact O-N 2.86Å
496W63.6Low63.6Low67 Ų6792.2 Ų92.225%0.25448%0.476SS..Hα-helixtrans-58-44.1177.3-10690.6000112.3Y388 P389 S494 Q498 R499Y388-W496 VanDerWaalsContact CA-CZ2 3.45Å; Y388-W496 WeakPolarHBondContact O-CH2 3.11Å; P389-W496 HydrophobicContact CB-CD2 4.32Å; P389-W496 HydrophobicContact CB-CE3 3.89Å; P389-W496 HydrophobicContact CB-CH2 4.44Å; P389-W496 HydrophobicContact CB-CZ3 3.96Å; P389-W496 HydrophobicContact CG-CD2 4.5Å; S494-W496 PolarHBondContact O-N 3.06Å; W496-Q498 VanDerWaalsContact C-N 3.3Å; W496-Q498 PolarHBondContact O-N 2.87Å; W496-R499 PolarHBondContact O-N 2.86Å
497K60.8Low65.1Low139 Ų13991.1 Ų91.160%0.60447%0.471SS*.Hα-helixtrans-64.3-34.9-176.3-146.8176.5-169.8-179.40112.7S494 I495 R499 S500S494-K497 PolarHBondContact O-N 3.45Å; I495-K497 VanDerWaalsContact C-N 3.33Å; I495-K497 PolarHBondContact O-N 2.85Å; K497-R499 VanDerWaalsContact C-N 3.35Å; K497-S500 PolarHBondContact O-OG 2.89Å
498Q63.3Low66.5Low166 Ų16685.6 Ų85.678%0.77643%0.432SS*.Hα-helixtrans-72.3-25179.4-167.4177.711.400113.2S494 I495 W496 S500S494-Q498 PolarHBondContact O-N 3.39Å; I495-Q498 PolarHBondContact O-N 2.84Å; W496-Q498 VanDerWaalsContact C-N 3.3Å; W496-Q498 PolarHBondContact O-N 2.87Å; Q498-S500 VanDerWaalsContact C-N 3.32Å; Q498-S500 PolarHBondContact O-N 2.91Å
499R66.4Low67.8Low139 Ų13982.9 Ų82.953%0.52542%0.415SS..THydrogen-bonded Turntrans-92.925.1-176.2-66.3179.4174.9179.3-1.5113.7P389 P390 I495 W496 K497 R501P389-R499 HydrophobicContact CB-CB 3.77Å; P389-R499 HydrophobicContact CG-CB 3.83Å; P390-R499 VanDerWaalsContact CD-O 3.28Å; P390-R499 WeakPolarHBondContact CD-O 3.18Å; P390-R499 VanDerWaalsContact CG-O 3.25Å; P390-R499 WeakPolarHBondContact CG-O 3.47Å; I495-R499 PolarHBondContact O-N 2.86Å; W496-R499 PolarHBondContact O-N 2.86Å; K497-R499 VanDerWaalsContact C-N 3.35Å; R499-R501 VanDerWaalsContact C-N 3.35Å
500S69.4Low68.9Low39 Ų3981 Ų8127%0.27340%0.399SS..SBendtrans-84-1.1-176.446.80000115D471 A472 K497 Q498D471-S500 CarbonylContact C-O 3.58Å; D471-S500 WeakPolarHBondContact CA-O 3.3Å; A472-S500 PolarHBondContact N-O 3Å; A472-S500 VanDerWaalsContact N-O 3.08Å; K497-S500 PolarHBondContact O-OG 2.89Å; Q498-S500 VanDerWaalsContact C-N 3.32Å; Q498-S500 PolarHBondContact O-N 2.91Å
501R74.8Confident70.2Confident190 Ų19078.1 Ų78.172%0.71738%0.376SS*.EExtended strand (participates in β ladder)trans-142.4149.3178.6-65.7-170.1163139.12.6111.6A470 D471 R499A470-R501 WeakPolarHBondContact O-CA 3.37Å; D471-R501 WeakPolarHBondContact OD1-CD 3.38Å; D471-R501 WeakPolarHBondContact OD1-CG 3.28Å; D471-R501 IonicContact OD1-CZ 2.82Å; D471-R501 IonicContact OD1-NE 3.49Å; D471-R501 PolarHBondContact OD1-NE 3.04Å; D471-R501 IonicContact OD1-NH2 3.78Å; R499-R501 VanDerWaalsContact C-N 3.35Å
502S81.7Confident71.1Confident33 Ų3377.6 Ų77.623%0.23137%0.369CS..EExtended strand (participates in β ladder)trans-154.3162-177.8-1710000113.1V392 H469 A470V392-S502 PolarHBondContact N-OG 3.4Å; H469-S502 CarbonylContact C-O 3.51Å; H469-S502 WeakPolarHBondContact CA-O 3.45Å; A470-S502 PolarHBondContact N-O 2.71Å; A470-S502 PolarHBondContact O-N 3.45Å
503F80.1Confident72.1Confident135 Ų13577.2 Ų77.259%0.59237%0.37SS*.EExtended strand (participates in β ladder)trans-159.1161.1174.477.2-87000111.2C468 H469C468-F503 CarbonylContact O-C 3.33Å; C468-F503 WeakPolarHBondContact O-CA 3.48Å; C468-F503 WeakPolarHBondContact O-CB 3.29Å; H469-F503 HydrophobicContact CB-CB 4.18Å; H469-F503 VanDerWaalsContact ND1-CB 3.3Å; H469-F503 WeakPolarHBondContact ND1-CB 3.22Å; H469-F503 AromaticContact ND1-CG 3.96Å
504A81.5Confident73.2Confident23 Ų2371.6 Ų71.619%0.1935%0.351CS..EExtended strand (participates in β ladder)trans-152.7173.817900000113.3V392 V394 F467 C468V392-A504 HydrophobicContact CG1-CB 4.18Å; V394-A504 HydrophobicContact CG1-CB 3.71Å; F467-A504 CarbonylContact C-O 3.6Å; F467-A504 VanDerWaalsContact CA-O 3.29Å; F467-A504 WeakPolarHBondContact CA-O 3.38Å; C468-A504 PolarHBondContact N-O 3.12Å; C468-A504 PolarHBondContact O-N 3.18Å
505A79.6Confident74.1Confident28 Ų2868.8 Ų68.823%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-138.2160.5-171.100000113.5S396 Y466 F467S396-A505 WeakPolarHBondContact CA-O 3.24Å; Y466-A505 CarbonylContact O-C 3.45Å; Y466-A505 VanDerWaalsContact O-CA 3.22Å; Y466-A505 WeakPolarHBondContact O-CA 3.35Å; F467-A505 HydrophobicContact CD1-CB 3.35Å; F467-A505 HydrophobicContact CE1-CB 3.46Å; F467-A505 VanDerWaalsContact CE1-CB 3.46Å; F467-A505 HydrophobicContact CG-CB 4.11Å; F467-A505 HydrophobicContact CZ-CB 4.29Å
506V81.6Confident75.1Confident1 Ų169.2 Ų69.21%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-140.2137.1-175.761.30000114V394 Q395 S396 V398 I408 W423 Q465 Y466V394-V506 HydrophobicContact CG2-CB 3.97Å; V394-V506 HydrophobicContact CG2-CG1 4.12Å; Q395-V506 HydrophobicContact CB-CG2 4.17Å; Q395-V506 VanDerWaalsContact O-CA 3.23Å; Q395-V506 WeakPolarHBondContact O-CA 3.2Å; Q395-V506 WeakPolarHBondContact O-CB 3.41Å; Q395-V506 WeakPolarHBondContact O-CG2 3.4Å; S396-V506 WeakPolarHBondContact O-CA 3.08Å; V398-V506 HydrophobicContact CB-CG2 4.49Å; V398-V506 HydrophobicContact CG2-CG2 3.32Å; I408-V506 HydrophobicContact CD1-CG1 4.15Å; I408-V506 HydrophobicContact CD1-CG2 4.29Å; W423-V506 HydrophobicContact CZ3-CG1 4.17Å; Q465-V506 CarbonylContact C-O 3.58Å; Q465-V506 WeakPolarHBondContact CA-O 3.26Å; Q465-V506 WeakPolarHBondContact CG-O 3.08Å; Y466-V506 VanDerWaalsContact CB-CG1 3.48Å; Y466-V506 HydrophobicContact CD2-CG1 4.18Å; Y466-V506 HydrophobicContact CG-CG1 4.22Å; Y466-V506 PolarHBondContact N-O 2.89Å; Y466-V506 PolarHBondContact O-N 3.02Å
507N78.8Confident76Confident58 Ų5866.4 Ų66.431%0.3133%0.326SS..EExtended strand (participates in β ladder)trans-116.8126.3177.1-72.8-43.7000114.1S396 K397 V398 G464 Q465S396-N507 PolarHBondContact O-N 3.09Å; K397-N507 CarbonylContact C-O 3.6Å; K397-N507 WeakPolarHBondContact CA-O 3.34Å; K397-N507 HydrophobicContact CG-CB 4.35Å; K397-N507 WeakPolarHBondContact CG-O 3.47Å; V398-N507 PolarHBondContact N-O 3.27Å; G464-N507 CarbonylContact O-C 3.54Å; G464-N507 WeakPolarHBondContact O-CA 3Å; Q465-N507 WeakPolarHBondContact CB-OD1 3.49Å; Q465-N507 VanDerWaalsContact CD-OD1 3.29Å; Q465-N507 WeakPolarHBondContact CG-OD1 3.35Å
508L78.7Confident76.7Confident5 Ų564.4 Ų64.43%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-91.9142.5-177.1179.852.5000113.7V398 V400 L406 H462 A463 G464V398-L508 HydrophobicContact CB-CD1 3.82Å; V398-L508 HydrophobicContact CG1-CD1 4Å; V398-L508 CarbonylContact O-C 3.55Å; V398-L508 VanDerWaalsContact O-CA 3.28Å; V398-L508 WeakPolarHBondContact O-CA 3.42Å; V400-L508 HydrophobicContact CB-CD1 4.41Å; V400-L508 HydrophobicContact CG2-CD1 3.6Å; L406-L508 HydrophobicContact CD2-CD1 3.99Å; L406-L508 HydrophobicContact CD2-CD2 3.67Å; H462-L508 HydrophobicContact CB-CD2 4.24Å; H462-L508 VanDerWaalsContact O-CD2 3.24Å; H462-L508 WeakPolarHBondContact O-CD2 3.14Å; A463-L508 WeakPolarHBondContact CA-O 3.41Å; A463-L508 WeakPolarHBondContact CB-O 3.42Å; G464-L508 PolarHBondContact O-N 2.78Å
509T75.4Confident77.6Confident44 Ų4457.8 Ų57.827%0.2730%0.295SS..EExtended strand (participates in β ladder)trans-162.2164.9-173.230.80000114.2K397 V398 T399 V400K397-T509 WeakPolarHBondContact CE-OG1 3.24Å; V398-T509 PolarHBondContact O-N 2.91Å; V398-T509 PolarHBondContact O-OG1 2.77Å; V398-T509 VanDerWaalsContact O-OG1 3.04Å; T399-T509 VanDerWaalsContact CA-O 3.24Å; T399-T509 WeakPolarHBondContact CA-O 3.43Å; T399-T509 VanDerWaalsContact CG2-OG1 3.31Å; T399-T509 WeakPolarHBondContact CG2-OG1 3.36Å; V400-T509 PolarHBondContact N-O 2.81Å
510I76.2Confident78.1Confident28 Ų2854.6 Ų54.614%0.14429%0.291CS..  trans-151.8149.8-164.7-54.6-173.6000113.3V400 Y459 P460V400-I510 WeakPolarHBondContact O-CA 3.32Å; V400-I510 WeakPolarHBondContact O-CB 3.4Å; V400-I510 VanDerWaalsContact O-CG1 3.28Å; V400-I510 WeakPolarHBondContact O-CG1 3.18Å; V400-I510 WeakPolarHBondContact O-CG2 3.31Å; Y459-I510 WeakPolarHBondContact O-CD1 3.36Å; P460-I510 HydrophobicContact CG-CG2 4.08Å
511N78.1Confident78.5Confident35 Ų3554.9 Ų54.919%0.18729%0.291CS..  trans-132.5167-156.9-60.62.1000118.2L546 E603 L604N511-L546 CarbonylContact C-O 3.58Å; N511-L546 WeakPolarHBondContact CA-O 3.34Å; N511-L546 WeakPolarHBondContact CB-O 3.45Å; N511-E603 PolarHBondContact ND2-OE2 2.75Å; N511-L604 HydrophobicContact CB-CD1 3.59Å
512Y75.3Confident78.5Confident135 Ų13550 Ų5053%0.52928%0.282SS..BIsolated β-bridgetrans-162.2-178.2178.166.6-89.8000117.9L546 N602Y512-L546 HydrophobicContact CD1-CB 3.87Å; Y512-L546 HydrophobicContact CE1-CB 3.4Å; Y512-L546 VanDerWaalsContact CE1-CB 3.4Å; Y512-L546 HydrophobicContact CE1-CD2 4.14Å; Y512-L546 HydrophobicContact CE1-CG 4.37Å; Y512-L546 HydrophobicContact CE2-CB 4.16Å; Y512-L546 HydrophobicContact CG-CB 4.42Å; Y512-L546 PolarHBondContact N-O 3.17Å; Y512-L546 CarbonylContact O-C 3.55Å; Y512-L546 PolarHBondContact O-N 2.92Å; Y512-N602 PolarHBondContact O-ND2 3.07Å
513S80.6Confident78.1Confident63 Ų6355.2 Ų55.244%0.44130%0.297SS..  trans-116.4174.3-155.559.40000123.5G545 N602 L604S513-G545 WeakPolarHBondContact O-CA 3.47Å; S513-G545 PolarHBondContact O-N 2.92Å; S513-N602 WeakPolarHBondContact CA-OD1 3.37Å; S513-L604 VanDerWaalsContact CB-C 3.46Å; S513-L604 WeakPolarHBondContact CB-O 3.5Å
514P78.2Confident77.7Confident23 Ų2351.3 Ų51.315%0.14929%0.287CS..  trans-134.9-167.4-160.546-28.5000121.3A543 P544 P549 N602 G605P514-A543 CarbonylContact C-O 3.51Å; P514-A543 VanDerWaalsContact CA-O 3.24Å; P514-A543 WeakPolarHBondContact CA-O 3.03Å; P514-P544 WeakPolarHBondContact CB-O 3.11Å; P514-P549 HydrophobicContact CB-CB 3.93Å; P514-P549 HydrophobicContact CB-CG 4.45Å; P514-P549 HydrophobicContact CG-CB 4.24Å; P514-N602 WeakPolarHBondContact CD-OD1 3.43Å; P514-N602 HydrophobicContact CG-CB 4.04Å; P514-G605 WeakPolarHBondContact CD-O 3.35Å; P514-G605 VanDerWaalsContact CG-O 3.26Å; P514-G605 WeakPolarHBondContact CG-O 3.39Å
515G75Confident77Confident18 Ų1854.4 Ų54.419%0.18630%0.303CS..  trans-158.4177.6-178.200000122.9A543 V600G515-A543 PolarHBondContact N-O 3.37Å; G515-V600 WeakPolarHBondContact O-CG2 3.38Å
516Q77.5Confident76.2Confident85 Ų8555.3 Ų55.340%0.39730%0.304SS..  trans-70150.7-146-175.6179.97.200126N540 S607 Q608Q516-N540 VanDerWaalsContact O-CB 3.27Å; Q516-N540 WeakPolarHBondContact O-CB 3.17Å; Q516-S607 WeakPolarHBondContact CA-OG 3.27Å; Q516-Q608 HydrophobicContact CG-CB 4.27Å
517P82.6Confident75.5Confident8 Ų863.9 Ų63.95%0.05235%0.35CS..  trans-117.1-166.9-179.446.8-39.9000120.5Q538 F599 V600P517-Q538 WeakPolarHBondContact CA-O 3.49Å; P517-Q538 WeakPolarHBondContact CB-O 3.5Å; P517-F599 VanDerWaalsContact CG-CA 3.46Å; P517-V600 HydrophobicContact CB-CG1 4.03Å; P517-V600 HydrophobicContact CG-CG1 3.92Å
518T75.6Confident74.5Confident96 Ų9669.3 Ų69.359%0.58937%0.371SS*.EExtended strand (participates in β ladder)trans-143.9152-169.6-30.40000115.5C537 Q538T518-C537 CarbonylContact O-C 3.54Å; T518-C537 WeakPolarHBondContact O-CA 3.5Å; T518-C537 WeakPolarHBondContact O-CB 3.23Å; T518-C537 PolarHBondContact O-SG 3.35Å; T518-Q538 PolarHBondContact N-O 2.93Å; T518-Q538 PolarHBondContact O-N 2.99Å
519L83.2Confident73.3Confident28 Ų2872.2 Ų72.215%0.14740%0.402CS..EExtended strand (participates in β ladder)trans-141.6160-176.9105.383.2000121.9V521 R536 C537 W553 C598 T610 V612L519-V521 HydrophobicContact CD1-CG2 4.27Å; L519-R536 CarbonylContact C-O 3.44Å; L519-R536 WeakPolarHBondContact CA-O 3.31Å; L519-R536 WeakPolarHBondContact CB-O 3.41Å; L519-C537 HydrophobicContact CB-CB 4.15Å; L519-W553 HydrophobicContact CB-CH2 4.19Å; L519-W553 HydrophobicContact CB-CZ3 4.26Å; L519-W553 HydrophobicContact CD1-CH2 4.18Å; L519-W553 HydrophobicContact CD1-CZ3 3.92Å; L519-W553 HydrophobicContact CD2-CZ3 3.97Å; L519-W553 HydrophobicContact CG-CZ3 4.28Å; L519-C598 HydrophobicContact CB-CB 4.37Å; L519-C598 HydrophobicContact CD2-CB 4.16Å; L519-T610 WeakPolarHBondContact CD2-O 3.36Å; L519-V612 HydrophobicContact CD1-CG2 3.89Å
520T76.3Confident72.6Confident71 Ų7173.1 Ų73.144%0.43640%0.404SS..EExtended strand (participates in β ladder)trans-148.2169.5177.156.60000117.4L535 R536T520-L535 CarbonylContact O-C 3.47Å; T520-L535 VanDerWaalsContact O-CA 3.23Å; T520-L535 WeakPolarHBondContact O-CA 3.33Å; T520-R536 PolarHBondContact N-O 2.74Å; T520-R536 PolarHBondContact O-N 2.86Å
521V77.2Confident72.3Confident46 Ų4676.5 Ų76.528%0.27942%0.422SS..EExtended strand (participates in β ladder)trans-143.5151.7-171.8177.20000117.3L519 Y523 I534 L535 V612L519-V521 HydrophobicContact CD1-CG2 4.27Å; V521-Y523 HydrophobicContact CG1-CE2 4.48Å; V521-I534 CarbonylContact C-O 3.49Å; V521-I534 VanDerWaalsContact CA-O 3.31Å; V521-I534 WeakPolarHBondContact CA-O 3.44Å; V521-L535 HydrophobicContact CB-CD2 4.11Å; V521-L535 HydrophobicContact CG1-CD2 3.8Å; V521-L535 HydrophobicContact CG2-CD2 3.52Å; V521-V612 HydrophobicContact CB-CG1 4.42Å; V521-V612 HydrophobicContact CG2-CB 3.94Å; V521-V612 HydrophobicContact CG2-CG1 3.68Å; V521-V612 HydrophobicContact CG2-CG2 4.12Å
522V74.9Confident72.1Confident86 Ų8677 Ų7752%0.52142%0.421SS..EExtended strand (participates in β ladder)trans-149.7162.3176.8-166.40000113.5I533 I534V522-I533 WeakPolarHBondContact O-CG2 3.49Å; V522-I534 HydrophobicContact CB-CB 4.13Å; V522-I534 HydrophobicContact CB-CG1 4.49Å; V522-I534 PolarHBondContact N-O 3.03Å; V522-I534 PolarHBondContact O-N 3.22Å
523Y73.6Confident72.2Confident144 Ų14470.8 Ų70.857%0.56540%0.398SS*.EExtended strand (participates in β ladder)trans-126.6149.4174.2-63.3-102.6000112.5V521 I533V521-Y523 HydrophobicContact CG1-CE2 4.48Å; Y523-I533 HydrophobicContact CD1-CD1 3.86Å; Y523-I533 HydrophobicContact CD1-CG1 3.71Å; Y523-I533 HydrophobicContact CD1-CG2 4.29Å; Y523-I533 HydrophobicContact CE1-CD1 3.67Å; Y523-I533 HydrophobicContact CE1-CG1 4.03Å; Y523-I533 HydrophobicContact CE1-CG2 4.28Å
524S72.6Confident72.1Confident52 Ų5269.6 Ų69.636%0.36439%0.386SS..EExtended strand (participates in β ladder)trans-164.4-178.3179.2-161.40000114.2Y532S524-Y532 VanDerWaalsContact CB-CZ 3.45Å; S524-Y532 PolarHBondContact N-O 2.86Å; S524-Y532 PolarHBondContact O-N 2.73Å; S524-Y532 PolarHBondContact OG-OH 2.59Å
525T65.8Low72.2Confident88 Ų8868.6 Ų68.654%0.5438%0.379SS..EExtended strand (participates in β ladder)trans-138.9144.8178.867.80000112.1D531 Y532T525-D531 WeakPolarHBondContact CG2-OD1 3.32Å; T525-Y532 WeakPolarHBondContact O-CE1 3.42Å
526N63.2Low72.5Confident47 Ų4773.1 Ų73.125%0.25139%0.39SS..  trans-85.9157-176.1-87.9-18.9000112.9K528 G529 E530 Y532 F586N526-K528 PolarHBondContact O-N 2.85Å; N526-G529 PolarHBondContact O-N 3.44Å; N526-E530 HydrophobicContact CB-CB 4.17Å; N526-E530 WeakPolarHBondContact CB-O 3.29Å; N526-E530 PolarHBondContact N-O 3.48Å; N526-E530 PolarHBondContact ND2-OE2 3.19Å; N526-Y532 HydrophobicContact CB-CD1 4.49Å; N526-Y532 WeakPolarHBondContact OD1-CE1 3.16Å; N526-F586 WeakPolarHBondContact ND2-CD1 2.99Å; N526-F586 WeakPolarHBondContact ND2-CE1 3.46Å
527N66.4Low72.8Confident181 Ų18169.1 Ų69.197%0.96837%0.372SS*.THydrogen-bonded Turntrans-57.6-7.1172.2-66.9-1.9000115.3
528K57.3Low72.8Confident172 Ų17272.9 Ų72.975%0.74839%0.389SS*.THydrogen-bonded Turntrans-97.6-4.8174.3-68.9-179.1177178.70114.1N526 E530N526-K528 PolarHBondContact O-N 2.85Å; K528-E530 HydrophobicContact CB-CG 4.09Å
529G53.6Low72.9Confident67 Ų6770.9 Ų70.969%0.69137%0.373SS*.SBendtrans8322.5-170.900000114.3N526N526-G529 PolarHBondContact O-N 3.44Å
530E62.4Low72.5Confident63 Ų6372.9 Ų72.929%0.29438%0.383SS..  trans-100.4123.7178.1-57.7157.2162.800109.7N526 K528N526-E530 HydrophobicContact CB-CB 4.17Å; N526-E530 WeakPolarHBondContact CB-O 3.29Å; N526-E530 PolarHBondContact N-O 3.48Å; N526-E530 PolarHBondContact ND2-OE2 3.19Å; K528-E530 HydrophobicContact CB-CG 4.09Å
531D70Confident72.2Confident99 Ų9974.2 Ų74.253%0.52940%0.396SS..EExtended strand (participates in β ladder)trans-78.5146.3-179.4-67.2-13.9000112.3T525 L588T525-D531 WeakPolarHBondContact CG2-OD1 3.32Å; D531-L588 HydrophobicContact CB-CD1 3.99Å
532Y73.1Confident71.9Confident45 Ų4577.2 Ų77.218%0.17642%0.419CS..EExtended strand (participates in β ladder)trans-152.5164.7-176.379.4-93.9000115.8S524 T525 N526 I534 L585 F586S524-Y532 VanDerWaalsContact CB-CZ 3.45Å; S524-Y532 PolarHBondContact N-O 2.86Å; S524-Y532 PolarHBondContact O-N 2.73Å; S524-Y532 PolarHBondContact OG-OH 2.59Å; T525-Y532 WeakPolarHBondContact O-CE1 3.42Å; N526-Y532 HydrophobicContact CB-CD1 4.49Å; N526-Y532 WeakPolarHBondContact OD1-CE1 3.16Å; Y532-I534 HydrophobicContact CD2-CG1 4.22Å; Y532-I534 HydrophobicContact CE2-CD1 3.95Å; Y532-I534 HydrophobicContact CE2-CG1 4.05Å; Y532-L585 CarbonylContact C-O 3.37Å; Y532-L585 WeakPolarHBondContact CA-O 3.33Å; Y532-L585 WeakPolarHBondContact CB-O 3.38Å; Y532-F586 HydrophobicContact CD1-CD1 4.1Å; Y532-F586 AromaticContact CD1-CE1 3.68Å; Y532-F586 HydrophobicContact CD1-CE1 3.68Å; Y532-F586 HydrophobicContact CD2-CD1 4.26Å; Y532-F586 AromaticContact CD2-CE1 3.61Å; Y532-F586 HydrophobicContact CD2-CE1 3.61Å; Y532-F586 AromaticContact CD2-CZ 3.94Å; Y532-F586 HydrophobicContact CD2-CZ 3.94Å; Y532-F586 HydrophobicContact CE1-CE1 4.16Å; Y532-F586 HydrophobicContact CE2-CE1 4.09Å; Y532-F586 HydrophobicContact CE2-CZ 4.25Å; Y532-F586 AromaticContact CG-CD1 3.7Å; Y532-F586 HydrophobicContact CG-CD1 3.7Å; Y532-F586 AromaticContact CG-CE1 3.38Å; Y532-F586 HydrophobicContact CG-CE1 3.38Å; Y532-F586 HydrophobicContact CG-CZ 4.18Å
533I76.9Confident71.8Confident5 Ų575.3 Ų75.33%0.02641%0.412CS..EExtended strand (participates in β ladder)trans-138.1151.7-170.4-54.4-179000109.7V522 Y523 K584 L585 L588 V614V522-I533 WeakPolarHBondContact O-CG2 3.49Å; Y523-I533 HydrophobicContact CD1-CD1 3.86Å; Y523-I533 HydrophobicContact CD1-CG1 3.71Å; Y523-I533 HydrophobicContact CD1-CG2 4.29Å; Y523-I533 HydrophobicContact CE1-CD1 3.67Å; Y523-I533 HydrophobicContact CE1-CG1 4.03Å; Y523-I533 HydrophobicContact CE1-CG2 4.28Å; I533-K584 CarbonylContact O-C 3.43Å; I533-K584 VanDerWaalsContact O-CA 3.23Å; I533-K584 WeakPolarHBondContact O-CA 3.13Å; I533-L585 HydrophobicContact CB-CB 4.22Å; I533-L585 HydrophobicContact CB-CD1 3.82Å; I533-L585 HydrophobicContact CB-CG 3.91Å; I533-L585 HydrophobicContact CD1-CD1 4.26Å; I533-L585 HydrophobicContact CG2-CD1 3.99Å; I533-L585 HydrophobicContact CG2-CG 4.32Å; I533-L585 PolarHBondContact N-O 3.47Å; I533-L585 PolarHBondContact O-N 3.43Å; I533-L588 HydrophobicContact CD1-CD1 4.14Å; I533-L588 HydrophobicContact CD1-CD2 4.06Å; I533-L588 HydrophobicContact CG1-CD1 4.27Å; I533-L588 HydrophobicContact CG1-CD2 4.17Å; I533-V614 HydrophobicContact CD1-CG1 3.56Å
534I78.5Confident71.7Confident37 Ų3771.4 Ų71.419%0.1941%0.405CS..EExtended strand (participates in β ladder)trans-133.7144.4-175.3-42.1-178000112.1V521 V522 Y532 I583 K584V521-I534 CarbonylContact C-O 3.49Å; V521-I534 VanDerWaalsContact CA-O 3.31Å; V521-I534 WeakPolarHBondContact CA-O 3.44Å; V522-I534 HydrophobicContact CB-CB 4.13Å; V522-I534 HydrophobicContact CB-CG1 4.49Å; V522-I534 PolarHBondContact N-O 3.03Å; V522-I534 PolarHBondContact O-N 3.22Å; Y532-I534 HydrophobicContact CD2-CG1 4.22Å; Y532-I534 HydrophobicContact CE2-CD1 3.95Å; Y532-I534 HydrophobicContact CE2-CG1 4.05Å; I534-I583 CarbonylContact C-O 3.6Å; I534-I583 WeakPolarHBondContact CA-O 3.47Å; I534-I583 VanDerWaalsContact CG2-O 3.3Å; I534-I583 WeakPolarHBondContact CG2-O 3.21Å; I534-K584 HydrophobicContact CB-CG 4.45Å; I534-K584 HydrophobicContact CG1-CG 4.17Å; I534-K584 HydrophobicContact CG2-CG 3.98Å
535L80.9Confident71.8Confident2 Ų269.1 Ų69.11%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-135.9160.4174-30163.3000111.2T520 V521 W553 T582 I583 Y596T520-L535 CarbonylContact O-C 3.47Å; T520-L535 VanDerWaalsContact O-CA 3.23Å; T520-L535 WeakPolarHBondContact O-CA 3.33Å; V521-L535 HydrophobicContact CB-CD2 4.11Å; V521-L535 HydrophobicContact CG1-CD2 3.8Å; V521-L535 HydrophobicContact CG2-CD2 3.52Å; L535-W553 HydrophobicContact CB-CH2 3.57Å; L535-W553 HydrophobicContact CB-CZ2 4.38Å; L535-W553 HydrophobicContact CB-CZ3 3.87Å; L535-W553 HydrophobicContact CD1-CZ3 4.21Å; L535-T582 CarbonylContact O-C 3.37Å; L535-T582 WeakPolarHBondContact O-CA 3.44Å; L535-T582 WeakPolarHBondContact O-CB 3.46Å; L535-I583 HydrophobicContact CB-CB 4.06Å; L535-I583 HydrophobicContact CB-CG2 4.32Å; L535-I583 HydrophobicContact CD1-CB 4.03Å; L535-I583 HydrophobicContact CD1-CD1 4.08Å; L535-I583 HydrophobicContact CD1-CG2 3.54Å; L535-I583 HydrophobicContact CG-CB 4.15Å; L535-I583 HydrophobicContact CG-CG2 3.83Å; L535-I583 PolarHBondContact N-O 3.43Å; L535-I583 PolarHBondContact O-N 2.9Å; L535-Y596 HydrophobicContact CD1-CD1 3.15Å; L535-Y596 HydrophobicContact CD1-CE1 3.86Å; L535-Y596 HydrophobicContact CD1-CG 3.59Å; L535-Y596 HydrophobicContact CG-CD1 4.49Å
536R81.3Confident72Confident113 Ų11369 Ų6943%0.42639%0.385SS..EExtended strand (participates in β ladder)trans-146.8145.8176.1174.6174.773.3154.66115.5L519 T520 W553 F581 T582L519-R536 CarbonylContact C-O 3.44Å; L519-R536 WeakPolarHBondContact CA-O 3.31Å; L519-R536 WeakPolarHBondContact CB-O 3.41Å; T520-R536 PolarHBondContact N-O 2.74Å; T520-R536 PolarHBondContact O-N 2.86Å; R536-W553 VanDerWaalsContact N-CH2 3.33Å; R536-W553 WeakPolarHBondContact O-CH2 3.18Å; R536-F581 CarbonylContact C-O 3.46Å; R536-F581 WeakPolarHBondContact CA-O 3.14Å; R536-T582 HydrophobicContact CB-CG2 3.91Å; R536-T582 HydrophobicContact CG-CG2 3.87Å
537C83.8Confident72.5Confident1 Ų168.9 Ų68.91%0.00739%0.387CS..EExtended strand (participates in β ladder)trans-143.4152.6179.1-179.20000115.1T518 L519 W553 S580 F581 C598T518-C537 CarbonylContact O-C 3.54Å; T518-C537 WeakPolarHBondContact O-CA 3.5Å; T518-C537 WeakPolarHBondContact O-CB 3.23Å; T518-C537 PolarHBondContact O-SG 3.35Å; L519-C537 HydrophobicContact CB-CB 4.15Å; C537-W553 HydrophobicContact CB-CD2 4.32Å; C537-W553 HydrophobicContact CB-CH2 3.83Å; C537-W553 HydrophobicContact CB-CZ2 3.3Å; C537-W553 VanDerWaalsContact N-CZ2 3.26Å; C537-S580 CarbonylContact O-C 3.57Å; C537-S580 WeakPolarHBondContact O-CA 3.28Å; C537-S580 WeakPolarHBondContact O-CB 3.48Å; C537-F581 PolarHBondContact N-O 2.77Å; C537-F581 PolarHBondContact O-N 2.8Å; C537-C598 HydrophobicContact CB-CB 3.84Å; C537-C598 WeakPolarHBondContact CB-SG 3.46Å; C537-C598 WeakPolarHBondContact SG-CB 3.14Å; C537-C598 CovalentContact SG-SG 2.04Å; C537-C598 PolarHBondContact SG-SG 3.24Å
538Q81.8Confident72.7Confident87 Ų8770.5 Ų70.541%0.40738%0.379SS..EExtended strand (participates in β ladder)trans-139.6145.5-167.6-169168.6-2.200117.2P517 T518 F551 S578P517-Q538 WeakPolarHBondContact CA-O 3.49Å; P517-Q538 WeakPolarHBondContact CB-O 3.5Å; T518-Q538 PolarHBondContact N-O 2.93Å; T518-Q538 PolarHBondContact O-N 2.99Å; Q538-F551 VanDerWaalsContact C-CE1 3.43Å; Q538-S578 PolarHBondContact NE2-O 3.17Å; Q538-S578 VanDerWaalsContact NE2-O 3.13Å
539E77.8Confident73.5Confident55 Ų5563.8 Ų63.826%0.25735%0.353SS..  trans-87.5166.2-171.552.7160.6-132.800117.9F551 K579E539-F551 HydrophobicContact CB-CE1 4.22Å; E539-F551 HydrophobicContact CB-CE2 3.65Å; E539-F551 HydrophobicContact CB-CZ 3.33Å; E539-F551 HydrophobicContact CG-CE2 4.08Å; E539-F551 HydrophobicContact CG-CZ 3.79Å; E539-K579 HydrophobicContact CG-CB 3.7Å; E539-K579 PolarHBondContact N-O 2.94Å; E539-K579 WeakPolarHBondContact OE1-CD 3.42Å; E539-K579 IonicContact OE1-NZ 3.7Å; E539-K579 PolarHBondContact OE1-NZ 3.44Å
540N75.3Confident74.4Confident69 Ų6964.3 Ų64.337%0.36934%0.343SS..  trans-101.6131.2170.3-178.8-21.7000111.9Q516 S542Q516-N540 VanDerWaalsContact O-CB 3.27Å; Q516-N540 WeakPolarHBondContact O-CB 3.17Å; N540-S542 PolarHBondContact OD1-N 3.18Å; N540-S542 VanDerWaalsContact OD1-N 3.11Å
541S69.7Low74.9Confident100 Ų10062 Ų6270%0.69933%0.332SS*.SBendtrans-87.1-15.9-171.349.70000115.9
542S70.7Confident75.3Confident108 Ų10858.8 Ų58.876%0.75531%0.314SS*.SBendtrans-88.6-22.7-166.5-62.30000115N540N540-S542 PolarHBondContact OD1-N 3.18Å; N540-S542 VanDerWaalsContact OD1-N 3.11Å
543A72.2Confident75.4Confident46 Ų4656.7 Ų56.738%0.3831%0.305SS..  trans-141.778.8-177.100000110.9P514 G515P514-A543 CarbonylContact C-O 3.51Å; P514-A543 VanDerWaalsContact CA-O 3.24Å; P514-A543 WeakPolarHBondContact CA-O 3.03Å; G515-A543 PolarHBondContact N-O 3.37Å
544P73Confident75.4Confident63 Ų6357.2 Ų57.241%0.40931%0.308SS..  trans-79.1-18.6-178.531.7-36.1000113.9P514 P549P514-P544 WeakPolarHBondContact CB-O 3.11Å; P544-P549 HydrophobicContact CB-CG 4.5Å; P544-P549 WeakPolarHBondContact O-CD 3.41Å; P544-P549 VanDerWaalsContact O-CG 3.31Å; P544-P549 WeakPolarHBondContact O-CG 3.44Å
545G73.9Confident75Confident4 Ų456 Ų564%0.04130%0.301CS..  trans65.8179.6-168.200000113.7S513 P547S513-G545 WeakPolarHBondContact O-CA 3.47Å; S513-G545 PolarHBondContact O-N 2.92Å; G545-P547 CarbonylContact C-O 3.54Å
546L70.5Confident74.3Confident85 Ų8556.8 Ų56.845%0.44531%0.307SS..BIsolated β-bridgetrans-143.9117174.8-154.181.8000111.4N511 Y512 N602N511-L546 CarbonylContact C-O 3.58Å; N511-L546 WeakPolarHBondContact CA-O 3.34Å; N511-L546 WeakPolarHBondContact CB-O 3.45Å; Y512-L546 HydrophobicContact CD1-CB 3.87Å; Y512-L546 HydrophobicContact CE1-CB 3.4Å; Y512-L546 VanDerWaalsContact CE1-CB 3.4Å; Y512-L546 HydrophobicContact CE1-CD2 4.14Å; Y512-L546 HydrophobicContact CE1-CG 4.37Å; Y512-L546 HydrophobicContact CE2-CB 4.16Å; Y512-L546 HydrophobicContact CG-CB 4.42Å; Y512-L546 PolarHBondContact N-O 3.17Å; Y512-L546 CarbonylContact O-C 3.55Å; Y512-L546 PolarHBondContact O-N 2.92Å; L546-N602 PolarHBondContact N-ND2 3.1Å
547P73.5Confident73.2Confident45 Ų4552.3 Ų52.329%0.29229%0.292SS..SBendcis-66.1170.13.226-33000114G545 N602 E603G545-P547 CarbonylContact C-O 3.54Å; P547-N602 PolarHBondContact O-ND2 3.15Å; P547-E603 VanDerWaalsContact CD-OE2 3.29Å; P547-E603 WeakPolarHBondContact CD-OE2 3.36Å; P547-E603 HydrophobicContact CG-CB 4.43Å; P547-E603 HydrophobicContact CG-CG 3.81Å; P547-E603 WeakPolarHBondContact CG-OE1 3.46Å; P547-E603 WeakPolarHBondContact CG-OE2 3.39Å
548R70.2Confident71.8Confident215 Ų21553 Ų5381%0.81130%0.299SS*.PPolyproline II helixtrans-55.6154-177.8-73.3-175178.2-178.90111.9
549P73.4Confident70.3Confident30 Ų3050.9 Ų50.920%0.19529%0.292CS..PPolyproline II helixtrans-86.3145.9-175.135.2-26.3000111.1P514 P544 Q601 N602P514-P549 HydrophobicContact CB-CB 3.93Å; P514-P549 HydrophobicContact CB-CG 4.45Å; P514-P549 HydrophobicContact CG-CB 4.24Å; P544-P549 HydrophobicContact CB-CG 4.5Å; P544-P549 WeakPolarHBondContact O-CD 3.41Å; P544-P549 VanDerWaalsContact O-CG 3.31Å; P544-P549 WeakPolarHBondContact O-CG 3.44Å; P549-Q601 CarbonylContact C-O 3.56Å; P549-Q601 WeakPolarHBondContact CA-O 3.49Å; P549-Q601 WeakPolarHBondContact CB-O 3.3Å; P549-N602 HydrophobicContact CB-CB 4.42Å
550T74.5Confident68.8Low78 Ų7854 Ų5448%0.47931%0.31SS..EExtended strand (participates in β ladder)trans-91.6145.4169.738.40000110.5H552 V600 Q601T550-H552 PolarHBondContact O-CD2 3.19Å; T550-H552 PolarHBondContact OG1-CE1 3.47Å; T550-H552 VanDerWaalsContact OG1-CE1 3.29Å; T550-H552 PolarHBondContact OG1-NE2 2.91Å; T550-V600 CarbonylContact O-C 3.53Å; T550-V600 WeakPolarHBondContact O-CA 3.33Å; T550-V600 VanDerWaalsContact O-CB 3.28Å; T550-V600 WeakPolarHBondContact O-CB 3.48Å; T550-Q601 PolarHBondContact N-O 3.18Å; T550-Q601 PolarHBondContact O-N 3.26Å; T550-Q601 PolarHBondContact OG1-O 2.59Å
551F73Confident67.5Low16 Ų1656 Ų567%0.0732%0.318CS..EExtended strand (participates in β ladder)trans-80.7145.3168-78.7-116.1000110.2Q538 E539 F581 V600Q538-F551 VanDerWaalsContact C-CE1 3.43Å; E539-F551 HydrophobicContact CB-CE1 4.22Å; E539-F551 HydrophobicContact CB-CE2 3.65Å; E539-F551 HydrophobicContact CB-CZ 3.33Å; E539-F551 HydrophobicContact CG-CE2 4.08Å; E539-F551 HydrophobicContact CG-CZ 3.79Å; F551-F581 HydrophobicContact CB-CD2 3.91Å; F551-F581 HydrophobicContact CB-CE2 4.02Å; F551-F581 HydrophobicContact CB-CG 4.42Å; F551-F581 AromaticContact CD1-CD2 3.68Å; F551-F581 HydrophobicContact CD1-CD2 3.68Å; F551-F581 HydrophobicContact CD1-CE2 4.27Å; F551-F581 HydrophobicContact CD1-CG 4.49Å; F551-F581 AromaticContact CD2-CD2 3.48Å; F551-F581 HydrophobicContact CD2-CD2 3.48Å; F551-F581 VanDerWaalsContact CD2-CD2 3.48Å; F551-F581 AromaticContact CD2-CE2 3.17Å; F551-F581 HydrophobicContact CD2-CE2 3.17Å; F551-F581 HydrophobicContact CD2-CZ 4.16Å; F551-F581 AromaticContact CE1-CD2 3.81Å; F551-F581 HydrophobicContact CE1-CD2 3.81Å; F551-F581 HydrophobicContact CE1-CE2 4.43Å; F551-F581 AromaticContact CE2-CD2 3.62Å; F551-F581 HydrophobicContact CE2-CD2 3.62Å; F551-F581 AromaticContact CE2-CE2 3.39Å; F551-F581 HydrophobicContact CE2-CE2 3.39Å; F551-F581 AromaticContact CG-CD2 3.44Å; F551-F581 HydrophobicContact CG-CD2 3.44Å; F551-F581 VanDerWaalsContact CG-CD2 3.44Å; F551-F581 AromaticContact CG-CE2 3.6Å; F551-F581 HydrophobicContact CG-CE2 3.6Å; F551-F581 HydrophobicContact CG-CG 4.34Å; F551-F581 AromaticContact CZ-CD2 3.72Å; F551-F581 HydrophobicContact CZ-CD2 3.72Å; F551-F581 AromaticContact CZ-CE2 3.98Å; F551-F581 HydrophobicContact CZ-CE2 3.98Å; F551-V600 HydrophobicContact CD1-CG1 4.04Å; F551-V600 HydrophobicContact CD2-CG1 4.23Å; F551-V600 HydrophobicContact CE1-CG1 4.49Å; F551-V600 HydrophobicContact CG-CG1 3.97Å
552H77Confident66.7Low30 Ų3057.6 Ų57.614%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-135.5105.5-178-65.4-59.3000112.4T550 D567 C598 F599T550-H552 PolarHBondContact O-CD2 3.19Å; T550-H552 PolarHBondContact OG1-CE1 3.47Å; T550-H552 VanDerWaalsContact OG1-CE1 3.29Å; T550-H552 PolarHBondContact OG1-NE2 2.91Å; H552-D567 WeakPolarHBondContact CA-OD1 3.37Å; H552-D567 VanDerWaalsContact CA-OD2 3.28Å; H552-D567 WeakPolarHBondContact CA-OD2 3.4Å; H552-D567 IonicContact CE1-OD2 2.75Å; H552-D567 IonicContact CG-OD2 2.71Å; H552-D567 IonicContact ND1-OD2 2.6Å; H552-D567 PolarHBondContact ND1-OD2 3.46Å; H552-C598 CarbonylContact O-C 3.55Å; H552-C598 WeakPolarHBondContact O-CA 3.43Å; H552-F599 HydrophobicContact CB-CD1 3.49Å; H552-F599 VanDerWaalsContact CB-CD1 3.49Å; H552-F599 HydrophobicContact CB-CD2 4.21Å; H552-F599 HydrophobicContact CB-CE1 3.18Å; H552-F599 HydrophobicContact CB-CE2 3.94Å; H552-F599 HydrophobicContact CB-CG 4Å; H552-F599 HydrophobicContact CB-CZ 3.43Å; H552-F599 VanDerWaalsContact CB-CZ 3.43Å; H552-F599 AromaticContact CD2-CE2 3.91Å; H552-F599 AromaticContact CG-CZ 3.82Å; H552-F599 PolarHBondContact N-O 3.18Å; H552-F599 WeakPolarHBondContact O-CD1 3.46Å; H552-F599 PolarHBondContact O-N 3.31Å
553W75.4Confident65.9Low1 Ų156.3 Ų56.30%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-82151.5171.7-75.492.7000111.2L519 L535 R536 C537 I565 L566 D567 Y572 I583 S597 C598L519-W553 HydrophobicContact CB-CH2 4.19Å; L519-W553 HydrophobicContact CB-CZ3 4.26Å; L519-W553 HydrophobicContact CD1-CH2 4.18Å; L519-W553 HydrophobicContact CD1-CZ3 3.92Å; L519-W553 HydrophobicContact CD2-CZ3 3.97Å; L519-W553 HydrophobicContact CG-CZ3 4.28Å; L535-W553 HydrophobicContact CB-CH2 3.57Å; L535-W553 HydrophobicContact CB-CZ2 4.38Å; L535-W553 HydrophobicContact CB-CZ3 3.87Å; L535-W553 HydrophobicContact CD1-CZ3 4.21Å; R536-W553 VanDerWaalsContact N-CH2 3.33Å; R536-W553 WeakPolarHBondContact O-CH2 3.18Å; C537-W553 HydrophobicContact CB-CD2 4.32Å; C537-W553 HydrophobicContact CB-CH2 3.83Å; C537-W553 HydrophobicContact CB-CZ2 3.3Å; C537-W553 VanDerWaalsContact N-CZ2 3.26Å; W553-I565 CarbonylContact O-C 3.54Å; W553-I565 VanDerWaalsContact O-CA 3.24Å; W553-I565 WeakPolarHBondContact O-CA 3.43Å; W553-L566 HydrophobicContact CB-CB 3.4Å; W553-L566 HydrophobicContact CB-CD1 3.74Å; W553-L566 HydrophobicContact CB-CG 4.21Å; W553-L566 HydrophobicContact CE3-CD1 4.23Å; W553-L566 PolarHBondContact O-N 3.2Å; W553-D567 PolarHBondContact N-OD1 3.12Å; W553-Y572 AromaticContact CD1-CE1 3.73Å; W553-Y572 AromaticContact NE1-CE1 3.97Å; W553-I583 HydrophobicContact CB-CD1 4.08Å; W553-I583 HydrophobicContact CD2-CD1 3.5Å; W553-I583 VanDerWaalsContact CD2-CD1 3.5Å; W553-I583 HydrophobicContact CE3-CD1 3.88Å; W553-I583 HydrophobicContact CG-CD1 3.64Å; W553-I583 HydrophobicContact CZ2-CD1 4.18Å; W553-I583 HydrophobicContact CZ2-CG1 4.49Å; W553-I583 HydrophobicContact CZ3-CD1 4.42Å; W553-S597 CarbonylContact C-O 3.47Å; W553-S597 WeakPolarHBondContact CA-O 3.48Å; W553-C598 HydrophobicContact CD2-CB 4.22Å; W553-C598 HydrophobicContact CE3-CB 4.19Å
554L76.8Confident65.3Low17 Ų1758.3 Ų58.39%0.08930%0.301CS..EExtended strand (participates in β ladder)trans-144.1112.6-172.1-88.3169.1000113.5T563 E564 I565 I595 Y596 S597 F599 L609L554-T563 WeakPolarHBondContact CD2-O 3.36Å; L554-E564 CarbonylContact C-O 3.55Å; L554-E564 WeakPolarHBondContact CA-O 3.39Å; L554-I565 HydrophobicContact CD2-CB 4.33Å; L554-I565 HydrophobicContact CD2-CD1 4.45Å; L554-I565 HydrophobicContact CD2-CG1 3.38Å; L554-I565 HydrophobicContact CG-CG1 4.09Å; L554-I595 VanDerWaalsContact O-O 3.12Å; L554-Y596 CarbonylContact O-C 3.52Å; L554-S597 PolarHBondContact N-O 3.4Å; L554-S597 VanDerWaalsContact O-CA 3.27Å; L554-S597 WeakPolarHBondContact O-CA 3.21Å; L554-S597 WeakPolarHBondContact O-CB 3.49Å; L554-S597 PolarHBondContact O-N 2.8Å; L554-S597 PolarHBondContact O-OG 2.72Å; L554-F599 HydrophobicContact CD1-CD1 3.52Å; L554-F599 HydrophobicContact CD1-CE1 3.44Å; L554-F599 VanDerWaalsContact CD1-CE1 3.44Å; L554-F599 HydrophobicContact CG-CD1 4.2Å; L554-F599 HydrophobicContact CG-CE1 3.91Å; L554-L609 HydrophobicContact CD1-CD2 3.27Å
555R70.1Confident64.6Low12 Ų1259.4 Ų59.45%0.04530%0.303CS..EExtended strand (participates in β ladder)trans-104.7115-178.5-170.5-172.9165.7-137.4-29113V557 K562 T563 E564 L566 F591 D592 S593 I595 Y596R555-V557 HydrophobicContact CB-CG2 4.19Å; R555-V557 HydrophobicContact CG-CG2 3.55Å; R555-V557 VanDerWaalsContact NE-CG2 3.33Å; R555-V557 VanDerWaalsContact NH2-CG2 3.26Å; R555-V557 PolarHBondContact O-N 3.34Å; R555-K562 VanDerWaalsContact O-O 3.1Å; R555-T563 CarbonylContact O-C 3.54Å; R555-T563 WeakPolarHBondContact O-CA 3.13Å; R555-E564 PolarHBondContact N-O 2.88Å; R555-E564 IonicContact NH1-OE2 3.46Å; R555-E564 PolarHBondContact O-N 3.37Å; R555-L566 HydrophobicContact CB-CD1 3.78Å; R555-L566 HydrophobicContact CB-CD2 3.89Å; R555-L566 HydrophobicContact CB-CG 3.64Å; R555-F591 PolarHBondContact NH1-O 2.9Å; R555-F591 PolarHBondContact NH2-O 3.49Å; R555-D592 IonicContact NH1-OD1 2.75Å; R555-D592 PolarHBondContact NH2-O 3.41Å; R555-S593 VanDerWaalsContact NH2-N 3.11Å; R555-S593 PolarHBondContact NH2-O 3.31Å; R555-I595 CarbonylContact C-O 3.31Å; R555-I595 WeakPolarHBondContact CA-O 3.41Å; R555-Y596 HydrophobicContact CB-CD1 4.29Å; R555-Y596 HydrophobicContact CB-CG 4.44Å; R555-Y596 VanDerWaalsContact CD-CE1 3.48Å; R555-Y596 HydrophobicContact CG-CD1 3.96Å; R555-Y596 HydrophobicContact CG-CD2 3.94Å; R555-Y596 HydrophobicContact CG-CE1 3.98Å; R555-Y596 HydrophobicContact CG-CE2 3.9Å; R555-Y596 HydrophobicContact CG-CG 3.94Å; R555-Y596 PolarHBondContact NE-OH 2.75Å
556S66.7Low63.7Low18 Ų1859.5 Ų59.513%0.12630%0.302CS..EExtended strand (participates in β ladder)trans-72.3112.5170.8-38.50000110.9K562 T563 G594 I595S556-K562 CarbonylContact C-O 3.39Å; S556-K562 VanDerWaalsContact CA-O 3.24Å; S556-K562 WeakPolarHBondContact CA-O 3.27Å; S556-T563 VanDerWaalsContact OG-CG2 3.29Å; S556-T563 WeakPolarHBondContact OG-CG2 3.44Å; S556-G594 CarbonylContact O-C 3.54Å; S556-G594 WeakPolarHBondContact O-CA 3.46Å; S556-I595 PolarHBondContact N-O 3.29Å; S556-I595 PolarHBondContact O-N 2.94Å
557V58.3Low62.9Low19 Ų1957.4 Ų57.412%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-121.6141.7-177.6-173.10000111.7R555 K562 E564R555-V557 HydrophobicContact CB-CG2 4.19Å; R555-V557 HydrophobicContact CG-CG2 3.55Å; R555-V557 VanDerWaalsContact NE-CG2 3.33Å; R555-V557 VanDerWaalsContact NH2-CG2 3.26Å; R555-V557 PolarHBondContact O-N 3.34Å; V557-K562 PolarHBondContact N-O 3.18Å; V557-E564 HydrophobicContact CB-CG 4.4Å; V557-E564 VanDerWaalsContact CG2-CD 3.47Å; V557-E564 HydrophobicContact CG2-CG 4.17Å; V557-E564 WeakPolarHBondContact CG2-OE2 3.4Å
558G54.8Low61.8Low15 Ų1562.5 Ų62.516%0.15531%0.311CS..THydrogen-bonded Turntrans70.4-164.2164.200000115N560 F716G558-N560 PolarHBondContact O-N 3.35Å; G558-F716 WeakPolarHBondContact O-CE2 3.39Å
559T48.6Very low60.8Low43 Ų4360.6 Ų60.626%0.26431%0.305SS..THydrogen-bonded Turntrans-75.7-25.3-165.146.60000114.4E561 N714 E720T559-E561 PolarHBondContact O-N 3.02Å; T559-N714 HydrophobicContact CG2-CB 3.6Å; T559-E720 WeakPolarHBondContact CB-OE1 2.87Å; T559-E720 WeakPolarHBondContact CB-OE2 3.44Å; T559-E720 HydrophobicContact CG2-CB 3.98Å; T559-E720 HydrophobicContact CG2-CG 4.24Å; T559-E720 WeakPolarHBondContact CG2-OE1 2.83Å; T559-E720 WeakPolarHBondContact CG2-OE2 3.46Å; T559-E720 PolarHBondContact OG1-OE1 3.02Å
560N48.1Very low59.7Low119 Ų11960.5 Ų60.564%0.63630%0.302SS*.THydrogen-bonded Turntrans-92.616.1-174-65.6-65.2000114.4G558 K562G558-N560 PolarHBondContact O-N 3.35Å; N560-K562 HydrophobicContact CB-CD 4.4Å; N560-K562 HydrophobicContact CB-CG 4Å; N560-K562 PolarHBondContact O-N 3.42Å
561E47.1Very low58.6Low111 Ų11162.8 Ų62.852%0.51931%0.311SS..THydrogen-bonded Turntrans52.817.1-176.2-58-171.5151.500115.1T559 T563 R715T559-E561 PolarHBondContact O-N 3.02Å; E561-T563 PolarHBondContact O-N 3.38Å; E561-T563 VanDerWaalsContact O-N 3.15Å; E561-R715 IonicContact OE1-CZ 3.23Å; E561-R715 IonicContact OE1-NH1 2.75Å; E561-R715 PolarHBondContact OE1-NH1 3.36Å; E561-R715 IonicContact OE1-NH2 3.43Å; E561-R715 PolarHBondContact OE1-NH2 3.08Å
562K52.8Low57.7Low135 Ų13565 Ų6559%0.58732%0.32SS*.EExtended strand (participates in β ladder)trans-63.7111.4-172.6-79.4-177174.2-1760112.2R555 S556 V557 N560 E564R555-K562 VanDerWaalsContact O-O 3.1Å; S556-K562 CarbonylContact C-O 3.39Å; S556-K562 VanDerWaalsContact CA-O 3.24Å; S556-K562 WeakPolarHBondContact CA-O 3.27Å; V557-K562 PolarHBondContact N-O 3.18Å; N560-K562 HydrophobicContact CB-CD 4.4Å; N560-K562 HydrophobicContact CB-CG 4Å; N560-K562 PolarHBondContact O-N 3.42Å; K562-E564 PolarHBondContact O-N 2.89Å
563T54.6Low57Low80 Ų8068.5 Ų68.549%0.49134%0.336SS..EExtended strand (participates in β ladder)trans-75.394.9165.852.40000110.7L554 R555 S556 E561L554-T563 WeakPolarHBondContact CD2-O 3.36Å; R555-T563 CarbonylContact O-C 3.54Å; R555-T563 WeakPolarHBondContact O-CA 3.13Å; S556-T563 VanDerWaalsContact OG-CG2 3.29Å; S556-T563 WeakPolarHBondContact OG-CG2 3.44Å; E561-T563 PolarHBondContact O-N 3.38Å; E561-T563 VanDerWaalsContact O-N 3.15Å
564E58.6Low56.4Low89 Ų8972.3 Ų72.342%0.41635%0.351SS..EExtended strand (participates in β ladder)trans-73.9129.8177.3-56.7177.215800111.2L554 R555 V557 K562 L566L554-E564 CarbonylContact C-O 3.55Å; L554-E564 WeakPolarHBondContact CA-O 3.39Å; R555-E564 PolarHBondContact N-O 2.88Å; R555-E564 IonicContact NH1-OE2 3.46Å; R555-E564 PolarHBondContact O-N 3.37Å; V557-E564 HydrophobicContact CB-CG 4.4Å; V557-E564 VanDerWaalsContact CG2-CD 3.47Å; V557-E564 HydrophobicContact CG2-CG 4.17Å; V557-E564 WeakPolarHBondContact CG2-OE2 3.4Å; K562-E564 PolarHBondContact O-N 2.89Å; E564-L566 PolarHBondContact O-N 3.08Å
565I58.7Low55.9Low85 Ų8574.9 Ų74.944%0.43637%0.365SS..EExtended strand (participates in β ladder)trans-69.8119172.6-66.9172000109.4W553 L554 D567W553-I565 CarbonylContact O-C 3.54Å; W553-I565 VanDerWaalsContact O-CA 3.24Å; W553-I565 WeakPolarHBondContact O-CA 3.43Å; L554-I565 HydrophobicContact CD2-CB 4.33Å; L554-I565 HydrophobicContact CD2-CD1 4.45Å; L554-I565 HydrophobicContact CD2-CG1 3.38Å; L554-I565 HydrophobicContact CG-CG1 4.09Å; I565-D567 HydrophobicContact CG2-CB 4.02Å; I565-D567 WeakPolarHBondContact CG2-OD2 3.37Å
566L55.7Low55.3Low7 Ų782 Ų824%0.03740%0.398CS..  trans-76.8-18.1-170.5-90160.3000114.4W553 R555 E564 Q568 Y569 F570 Y572 I583 Y596W553-L566 HydrophobicContact CB-CB 3.4Å; W553-L566 HydrophobicContact CB-CD1 3.74Å; W553-L566 HydrophobicContact CB-CG 4.21Å; W553-L566 HydrophobicContact CE3-CD1 4.23Å; W553-L566 PolarHBondContact O-N 3.2Å; R555-L566 HydrophobicContact CB-CD1 3.78Å; R555-L566 HydrophobicContact CB-CD2 3.89Å; R555-L566 HydrophobicContact CB-CG 3.64Å; E564-L566 PolarHBondContact O-N 3.08Å; L566-Q568 PolarHBondContact O-N 2.87Å; L566-Y569 PolarHBondContact O-N 2.95Å; L566-F570 HydrophobicContact CD2-CD2 3.92Å; L566-F570 HydrophobicContact CD2-CE2 3.66Å; L566-Y572 PolarHBondContact O-OH 3.32Å; L566-I583 HydrophobicContact CB-CD1 4.31Å; L566-I583 HydrophobicContact CD1-CD1 4.22Å; L566-Y596 HydrophobicContact CD1-CD1 3.47Å; L566-Y596 VanDerWaalsContact CD1-CD1 3.47Å; L566-Y596 HydrophobicContact CD1-CE1 4.36Å; L566-Y596 HydrophobicContact CD1-CG 4.13Å; L566-Y596 HydrophobicContact CD2-CD1 3.69Å; L566-Y596 HydrophobicContact CD2-CE1 3.72Å; L566-Y596 HydrophobicContact CG-CD1 4.2Å
567D54.1Low55.1Low40 Ų4089.8 Ų89.821%0.21443%0.433CS..THydrogen-bonded Turntrans-57.23.2-162.1-58.4-31.1000117.1H552 W553 I565 Y572H552-D567 WeakPolarHBondContact CA-OD1 3.37Å; H552-D567 VanDerWaalsContact CA-OD2 3.28Å; H552-D567 WeakPolarHBondContact CA-OD2 3.4Å; H552-D567 IonicContact CE1-OD2 2.75Å; H552-D567 IonicContact CG-OD2 2.71Å; H552-D567 IonicContact ND1-OD2 2.6Å; H552-D567 PolarHBondContact ND1-OD2 3.46Å; W553-D567 PolarHBondContact N-OD1 3.12Å; I565-D567 HydrophobicContact CG2-CB 4.02Å; I565-D567 WeakPolarHBondContact CG2-OD2 3.37Å; D567-Y572 VanDerWaalsContact CA-OH 3.28Å; D567-Y572 WeakPolarHBondContact CA-OH 3.21Å; D567-Y572 PolarHBondContact N-OH 3.36Å; D567-Y572 WeakPolarHBondContact O-CE2 3.5Å
568Q49.9Very low55.1Low152 Ų15290.6 Ų90.671%0.7144%0.439SS*.THydrogen-bonded Turntrans-114.9-21.3-169.9-61.9176.9-10.200113.4L566L566-Q568 PolarHBondContact O-N 2.87Å
569Y47.8Very low55.8Low175 Ų17594.5 Ų94.569%0.68645%0.452SS*.SBendtrans-112.2-13.1-160.2-76.7-75.3000117.5L566L566-Y569 PolarHBondContact O-N 2.95Å
570F50.3Low56.9Low29 Ų2992.5 Ų92.513%0.12744%0.44CS..SBendtrans-133143.2-174.3-56.2-67.1000110.9L566 Y572 I583 K584 L585L566-F570 HydrophobicContact CD2-CD2 3.92Å; L566-F570 HydrophobicContact CD2-CE2 3.66Å; F570-Y572 WeakPolarHBondContact O-CD2 3.39Å; F570-Y572 WeakPolarHBondContact O-CE2 3.35Å; F570-Y572 PolarHBondContact O-N 3.27Å; F570-I583 HydrophobicContact CB-CB 4.15Å; F570-I583 HydrophobicContact CB-CG1 4.16Å; F570-I583 HydrophobicContact CB-CG2 3.59Å; F570-I583 HydrophobicContact CD2-CG2 3.86Å; F570-I583 HydrophobicContact CG-CG2 3.77Å; F570-K584 WeakPolarHBondContact CD1-O 3.28Å; F570-L585 HydrophobicContact CD1-CB 4.23Å; F570-L585 HydrophobicContact CD1-CD2 3.63Å; F570-L585 HydrophobicContact CD2-CD2 3.69Å; F570-L585 HydrophobicContact CE1-CB 3.87Å; F570-L585 HydrophobicContact CE1-CD2 3.54Å; F570-L585 HydrophobicContact CE1-CG 4.3Å; F570-L585 HydrophobicContact CE2-CD2 3.6Å; F570-L585 HydrophobicContact CG-CD2 3.71Å; F570-L585 HydrophobicContact CZ-CB 4.44Å; F570-L585 HydrophobicContact CZ-CD2 3.53Å
571N51.4Low58.3Low125 Ų12589 Ų8967%0.66842%0.419SS*.  trans-59.9104.7-173-81.3-18.6000111.7E573N571-E573 VanDerWaalsContact C-N 3.29Å; N571-E573 PolarHBondContact O-N 3.2Å
572Y55.4Low59.7Low63 Ų6384.7 Ų84.725%0.24740%0.4CS..  trans-69.583.2178.1-74.7-65.7000111.2W553 L566 D567 F570 Y574 F581 T582 I583W553-Y572 AromaticContact CD1-CE1 3.73Å; W553-Y572 AromaticContact NE1-CE1 3.97Å; L566-Y572 PolarHBondContact O-OH 3.32Å; D567-Y572 VanDerWaalsContact CA-OH 3.28Å; D567-Y572 WeakPolarHBondContact CA-OH 3.21Å; D567-Y572 PolarHBondContact N-OH 3.36Å; D567-Y572 WeakPolarHBondContact O-CE2 3.5Å; F570-Y572 WeakPolarHBondContact O-CD2 3.39Å; F570-Y572 WeakPolarHBondContact O-CE2 3.35Å; F570-Y572 PolarHBondContact O-N 3.27Å; Y572-Y574 PolarHBondContact O-N 2.87Å; Y572-F581 HydrophobicContact CD1-CB 4.38Å; Y572-F581 AromaticContact CD1-CD1 3.79Å; Y572-F581 HydrophobicContact CD1-CD1 3.79Å; Y572-F581 HydrophobicContact CG-CD1 4.15Å; Y572-T582 WeakPolarHBondContact CA-O 3.45Å; Y572-I583 HydrophobicContact CD1-CG1 4.2Å; Y572-I583 HydrophobicContact CE1-CD1 3.77Å; Y572-I583 HydrophobicContact CE1-CG1 3.39Å; Y572-I583 WeakPolarHBondContact OH-CD1 3.22Å
573E61.4Low60.8Low103 Ų10378.2 Ų78.248%0.48137%0.372SS..EExtended strand (participates in β ladder)trans-71.178.7169.4-119.3166.1-117.200107.9N571 N575 T582 K584N571-E573 VanDerWaalsContact C-N 3.29Å; N571-E573 PolarHBondContact O-N 3.2Å; E573-N575 PolarHBondContact O-N 3.31Å; E573-T582 HydrophobicContact CB-CG2 4.48Å; E573-T582 WeakPolarHBondContact CB-OG1 3.44Å; E573-T582 PolarHBondContact N-O 3.17Å; E573-T582 PolarHBondContact O-N 3.32Å; E573-K584 IonicContact OE1-NZ 3.88Å; E573-K584 PolarHBondContact OE1-NZ 3.35Å; E573-K584 WeakPolarHBondContact OE2-CE 3.44Å; E573-K584 IonicContact OE2-NZ 2.93Å; E573-K584 PolarHBondContact OE2-NZ 3.34Å
574Y63.3Low61.6Low81 Ų8176.6 Ų76.632%0.31836%0.358SS..EExtended strand (participates in β ladder)trans-73.4108.6167.5179.3-112.9000108.9Y572 E576 S580 F581Y572-Y574 PolarHBondContact O-N 2.87Å; Y574-E576 HydrophobicContact CD1-CG 4.18Å; Y574-E576 HydrophobicContact CE1-CB 4.42Å; Y574-E576 HydrophobicContact CE1-CG 3.91Å; Y574-E576 PolarHBondContact O-N 3.23Å; Y574-S580 WeakPolarHBondContact CA-O 3.42Å; Y574-F581 HydrophobicContact CD2-CD1 4.34Å; Y574-F581 AromaticContact CD2-CD2 3.45Å; Y574-F581 HydrophobicContact CD2-CD2 3.45Å; Y574-F581 VanDerWaalsContact CD2-CD2 3.45Å; Y574-F581 HydrophobicContact CD2-CE1 4.16Å; Y574-F581 AromaticContact CD2-CE2 3.17Å; Y574-F581 HydrophobicContact CD2-CE2 3.17Å; Y574-F581 HydrophobicContact CD2-CG 4.03Å; Y574-F581 AromaticContact CD2-CZ 3.58Å; Y574-F581 HydrophobicContact CD2-CZ 3.58Å; Y574-F581 HydrophobicContact CE2-CD2 4.04Å; Y574-F581 AromaticContact CE2-CE2 3.6Å; Y574-F581 HydrophobicContact CE2-CE2 3.6Å; Y574-F581 HydrophobicContact CE2-CZ 4.25Å; Y574-F581 HydrophobicContact CG-CD2 4.4Å; Y574-F581 HydrophobicContact CG-CE1 4.22Å; Y574-F581 AromaticContact CG-CE2 3.96Å; Y574-F581 HydrophobicContact CG-CE2 3.96Å; Y574-F581 AromaticContact CG-CZ 3.88Å; Y574-F581 HydrophobicContact CG-CZ 3.88Å
575N65.2Low62.3Low72 Ų7272.3 Ų72.339%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-86.2107.4173179.6-14.4000108.7E573 Q577 S578 K579 S580E573-N575 PolarHBondContact O-N 3.31Å; N575-Q577 PolarHBondContact O-N 3.47Å; N575-Q577 WeakPolarHBondContact OD1-CB 3.39Å; N575-Q577 PolarHBondContact OD1-N 3.34Å; N575-S578 WeakPolarHBondContact CB-OG 3.41Å; N575-S578 VanDerWaalsContact CG-OG 3.25Å; N575-S578 PolarHBondContact ND2-OG 3.33Å; N575-S578 CarbonylContact O-C 3.36Å; N575-S578 PolarHBondContact O-N 3.04Å; N575-S578 PolarHBondContact OD1-N 3.27Å; N575-K579 WeakPolarHBondContact O-CA 3.41Å; N575-K579 PolarHBondContact O-N 3.24Å; N575-S580 PolarHBondContact N-O 2.86Å; N575-S580 PolarHBondContact O-N 3.23Å
576E58.1Low62.6Low160 Ų16071.9 Ų71.975%0.74833%0.334SS*.THydrogen-bonded Turntrans-55.5-33.6178.7-68.1-143.8121.700113.3Y574Y574-E576 HydrophobicContact CD1-CG 4.18Å; Y574-E576 HydrophobicContact CE1-CB 4.42Å; Y574-E576 HydrophobicContact CE1-CG 3.91Å; Y574-E576 PolarHBondContact O-N 3.23Å
577Q62.6Low62.9Low183 Ų18377.3 Ų77.386%0.85536%0.363SS*.THydrogen-bonded Turntrans-70.7-41.9-178-57.6-178.2-9.900111.7N575N575-Q577 PolarHBondContact O-N 3.47Å; N575-Q577 WeakPolarHBondContact OD1-CB 3.39Å; N575-Q577 PolarHBondContact OD1-N 3.34Å
578S58.8Low63.5Low35 Ų3577.8 Ų77.825%0.24537%0.365CS..THydrogen-bonded Turntrans-96.93.6-179.963.30000113.6Q538 N575 S580Q538-S578 PolarHBondContact NE2-O 3.17Å; Q538-S578 VanDerWaalsContact NE2-O 3.13Å; N575-S578 WeakPolarHBondContact CB-OG 3.41Å; N575-S578 VanDerWaalsContact CG-OG 3.25Å; N575-S578 PolarHBondContact ND2-OG 3.33Å; N575-S578 CarbonylContact O-C 3.36Å; N575-S578 PolarHBondContact O-N 3.04Å; N575-S578 PolarHBondContact OD1-N 3.27Å; S578-S580 VanDerWaalsContact C-OG 3.28Å; S578-S580 VanDerWaalsContact CB-OG 3.26Å; S578-S580 WeakPolarHBondContact CB-OG 3.48Å; S578-S580 PolarHBondContact O-N 3Å; S578-S580 VanDerWaalsContact O-N 3.14Å; S578-S580 PolarHBondContact O-OG 3.2Å; S578-S580 PolarHBondContact OG-OG 3.48Å
579K68.5Low64.1Low97 Ų9772.8 Ų72.842%0.42235%0.346SS..THydrogen-bonded Turntrans4547.2-179.8-67164.6146.8-73.70112.1E539 N575E539-K579 HydrophobicContact CG-CB 3.7Å; E539-K579 PolarHBondContact N-O 2.94Å; E539-K579 WeakPolarHBondContact OE1-CD 3.42Å; E539-K579 IonicContact OE1-NZ 3.7Å; E539-K579 PolarHBondContact OE1-NZ 3.44Å; N575-K579 WeakPolarHBondContact O-CA 3.41Å; N575-K579 PolarHBondContact O-N 3.24Å
580S72.8Confident64.9Low1 Ų164.4 Ų64.41%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-144.5141.9-171.429.70000112.8C537 Y574 N575 S578C537-S580 CarbonylContact O-C 3.57Å; C537-S580 WeakPolarHBondContact O-CA 3.28Å; C537-S580 WeakPolarHBondContact O-CB 3.48Å; Y574-S580 WeakPolarHBondContact CA-O 3.42Å; N575-S580 PolarHBondContact N-O 2.86Å; N575-S580 PolarHBondContact O-N 3.23Å; S578-S580 VanDerWaalsContact C-OG 3.28Å; S578-S580 VanDerWaalsContact CB-OG 3.26Å; S578-S580 WeakPolarHBondContact CB-OG 3.48Å; S578-S580 PolarHBondContact O-N 3Å; S578-S580 VanDerWaalsContact O-N 3.14Å; S578-S580 PolarHBondContact O-OG 3.2Å; S578-S580 PolarHBondContact OG-OG 3.48Å
581F77.6Confident65.5Low46 Ų4666.7 Ų66.720%0.20232%0.324CS..EExtended strand (participates in β ladder)trans-96.1136.3-178-77.7-97000110.6R536 C537 F551 Y572 Y574R536-F581 CarbonylContact C-O 3.46Å; R536-F581 WeakPolarHBondContact CA-O 3.14Å; C537-F581 PolarHBondContact N-O 2.77Å; C537-F581 PolarHBondContact O-N 2.8Å; F551-F581 HydrophobicContact CB-CD2 3.91Å; F551-F581 HydrophobicContact CB-CE2 4.02Å; F551-F581 HydrophobicContact CB-CG 4.42Å; F551-F581 AromaticContact CD1-CD2 3.68Å; F551-F581 HydrophobicContact CD1-CD2 3.68Å; F551-F581 HydrophobicContact CD1-CE2 4.27Å; F551-F581 HydrophobicContact CD1-CG 4.49Å; F551-F581 AromaticContact CD2-CD2 3.48Å; F551-F581 HydrophobicContact CD2-CD2 3.48Å; F551-F581 VanDerWaalsContact CD2-CD2 3.48Å; F551-F581 AromaticContact CD2-CE2 3.17Å; F551-F581 HydrophobicContact CD2-CE2 3.17Å; F551-F581 HydrophobicContact CD2-CZ 4.16Å; F551-F581 AromaticContact CE1-CD2 3.81Å; F551-F581 HydrophobicContact CE1-CD2 3.81Å; F551-F581 HydrophobicContact CE1-CE2 4.43Å; F551-F581 AromaticContact CE2-CD2 3.62Å; F551-F581 HydrophobicContact CE2-CD2 3.62Å; F551-F581 AromaticContact CE2-CE2 3.39Å; F551-F581 HydrophobicContact CE2-CE2 3.39Å; F551-F581 AromaticContact CG-CD2 3.44Å; F551-F581 HydrophobicContact CG-CD2 3.44Å; F551-F581 VanDerWaalsContact CG-CD2 3.44Å; F551-F581 AromaticContact CG-CE2 3.6Å; F551-F581 HydrophobicContact CG-CE2 3.6Å; F551-F581 HydrophobicContact CG-CG 4.34Å; F551-F581 AromaticContact CZ-CD2 3.72Å; F551-F581 HydrophobicContact CZ-CD2 3.72Å; F551-F581 AromaticContact CZ-CE2 3.98Å; F551-F581 HydrophobicContact CZ-CE2 3.98Å; Y572-F581 HydrophobicContact CD1-CB 4.38Å; Y572-F581 AromaticContact CD1-CD1 3.79Å; Y572-F581 HydrophobicContact CD1-CD1 3.79Å; Y572-F581 HydrophobicContact CG-CD1 4.15Å; Y574-F581 HydrophobicContact CD2-CD1 4.34Å; Y574-F581 AromaticContact CD2-CD2 3.45Å; Y574-F581 HydrophobicContact CD2-CD2 3.45Å; Y574-F581 VanDerWaalsContact CD2-CD2 3.45Å; Y574-F581 HydrophobicContact CD2-CE1 4.16Å; Y574-F581 AromaticContact CD2-CE2 3.17Å; Y574-F581 HydrophobicContact CD2-CE2 3.17Å; Y574-F581 HydrophobicContact CD2-CG 4.03Å; Y574-F581 AromaticContact CD2-CZ 3.58Å; Y574-F581 HydrophobicContact CD2-CZ 3.58Å; Y574-F581 HydrophobicContact CE2-CD2 4.04Å; Y574-F581 AromaticContact CE2-CE2 3.6Å; Y574-F581 HydrophobicContact CE2-CE2 3.6Å; Y574-F581 HydrophobicContact CE2-CZ 4.25Å; Y574-F581 HydrophobicContact CG-CD2 4.4Å; Y574-F581 HydrophobicContact CG-CE1 4.22Å; Y574-F581 AromaticContact CG-CE2 3.96Å; Y574-F581 HydrophobicContact CG-CE2 3.96Å; Y574-F581 AromaticContact CG-CZ 3.88Å; Y574-F581 HydrophobicContact CG-CZ 3.88Å
582T75.3Confident66.3Low20 Ų2061.9 Ų61.912%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-116.2155.2167.588.50000112.3L535 R536 Y572 E573L535-T582 CarbonylContact O-C 3.37Å; L535-T582 WeakPolarHBondContact O-CA 3.44Å; L535-T582 WeakPolarHBondContact O-CB 3.46Å; R536-T582 HydrophobicContact CB-CG2 3.91Å; R536-T582 HydrophobicContact CG-CG2 3.87Å; Y572-T582 WeakPolarHBondContact CA-O 3.45Å; E573-T582 HydrophobicContact CB-CG2 4.48Å; E573-T582 WeakPolarHBondContact CB-OG1 3.44Å; E573-T582 PolarHBondContact N-O 3.17Å; E573-T582 PolarHBondContact O-N 3.32Å
583I76.2Confident66.9Low0 Ų059 Ų590%029%0.287CS..EExtended strand (participates in β ladder)trans-121.2142-179.8-81.3174.3000107.6I534 L535 W553 L566 F570 Y572 L585I534-I583 CarbonylContact C-O 3.6Å; I534-I583 WeakPolarHBondContact CA-O 3.47Å; I534-I583 VanDerWaalsContact CG2-O 3.3Å; I534-I583 WeakPolarHBondContact CG2-O 3.21Å; L535-I583 HydrophobicContact CB-CB 4.06Å; L535-I583 HydrophobicContact CB-CG2 4.32Å; L535-I583 HydrophobicContact CD1-CB 4.03Å; L535-I583 HydrophobicContact CD1-CD1 4.08Å; L535-I583 HydrophobicContact CD1-CG2 3.54Å; L535-I583 HydrophobicContact CG-CB 4.15Å; L535-I583 HydrophobicContact CG-CG2 3.83Å; L535-I583 PolarHBondContact N-O 3.43Å; L535-I583 PolarHBondContact O-N 2.9Å; W553-I583 HydrophobicContact CB-CD1 4.08Å; W553-I583 HydrophobicContact CD2-CD1 3.5Å; W553-I583 VanDerWaalsContact CD2-CD1 3.5Å; W553-I583 HydrophobicContact CE3-CD1 3.88Å; W553-I583 HydrophobicContact CG-CD1 3.64Å; W553-I583 HydrophobicContact CZ2-CD1 4.18Å; W553-I583 HydrophobicContact CZ2-CG1 4.49Å; W553-I583 HydrophobicContact CZ3-CD1 4.42Å; L566-I583 HydrophobicContact CB-CD1 4.31Å; L566-I583 HydrophobicContact CD1-CD1 4.22Å; F570-I583 HydrophobicContact CB-CB 4.15Å; F570-I583 HydrophobicContact CB-CG1 4.16Å; F570-I583 HydrophobicContact CB-CG2 3.59Å; F570-I583 HydrophobicContact CD2-CG2 3.86Å; F570-I583 HydrophobicContact CG-CG2 3.77Å; Y572-I583 HydrophobicContact CD1-CG1 4.2Å; Y572-I583 HydrophobicContact CE1-CD1 3.77Å; Y572-I583 HydrophobicContact CE1-CG1 3.39Å; Y572-I583 WeakPolarHBondContact OH-CD1 3.22Å; I583-L585 HydrophobicContact CG2-CD2 3.44Å; I583-L585 VanDerWaalsContact CG2-CD2 3.44Å
584K71.4Confident67.5Low45 Ų4554 Ų5420%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-133.8115.4172.4-62.6175.9-172.6168.70111.1I533 I534 F570 E573 F586I533-K584 CarbonylContact O-C 3.43Å; I533-K584 VanDerWaalsContact O-CA 3.23Å; I533-K584 WeakPolarHBondContact O-CA 3.13Å; I534-K584 HydrophobicContact CB-CG 4.45Å; I534-K584 HydrophobicContact CG1-CG 4.17Å; I534-K584 HydrophobicContact CG2-CG 3.98Å; F570-K584 WeakPolarHBondContact CD1-O 3.28Å; E573-K584 IonicContact OE1-NZ 3.88Å; E573-K584 PolarHBondContact OE1-NZ 3.35Å; E573-K584 WeakPolarHBondContact OE2-CE 3.44Å; E573-K584 IonicContact OE2-NZ 2.93Å; E573-K584 PolarHBondContact OE2-NZ 3.34Å; K584-F586 HydrophobicContact CB-CD2 4.3Å; K584-F586 HydrophobicContact CB-CE2 3.53Å; K584-F586 HydrophobicContact CB-CZ 4.07Å; K584-F586 HydrophobicContact CD-CZ 4.49Å
585L73.5Confident68.2Low0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-90.9121178.8-24.1176.2000109.6Y532 I533 F570 I583 L588 Y596Y532-L585 CarbonylContact C-O 3.37Å; Y532-L585 WeakPolarHBondContact CA-O 3.33Å; Y532-L585 WeakPolarHBondContact CB-O 3.38Å; I533-L585 HydrophobicContact CB-CB 4.22Å; I533-L585 HydrophobicContact CB-CD1 3.82Å; I533-L585 HydrophobicContact CB-CG 3.91Å; I533-L585 HydrophobicContact CD1-CD1 4.26Å; I533-L585 HydrophobicContact CG2-CD1 3.99Å; I533-L585 HydrophobicContact CG2-CG 4.32Å; I533-L585 PolarHBondContact N-O 3.47Å; I533-L585 PolarHBondContact O-N 3.43Å; F570-L585 HydrophobicContact CD1-CB 4.23Å; F570-L585 HydrophobicContact CD1-CD2 3.63Å; F570-L585 HydrophobicContact CD2-CD2 3.69Å; F570-L585 HydrophobicContact CE1-CB 3.87Å; F570-L585 HydrophobicContact CE1-CD2 3.54Å; F570-L585 HydrophobicContact CE1-CG 4.3Å; F570-L585 HydrophobicContact CE2-CD2 3.6Å; F570-L585 HydrophobicContact CG-CD2 3.71Å; F570-L585 HydrophobicContact CZ-CB 4.44Å; F570-L585 HydrophobicContact CZ-CD2 3.53Å; I583-L585 HydrophobicContact CG2-CD2 3.44Å; I583-L585 VanDerWaalsContact CG2-CD2 3.44Å; L585-L588 HydrophobicContact CB-CD2 4Å; L585-Y596 HydrophobicContact CD1-CE1 3.99Å; L585-Y596 VanDerWaalsContact CD1-OH 3.24Å; L585-Y596 WeakPolarHBondContact CD1-OH 3.32Å; L585-Y596 HydrophobicContact CD2-CE1 3.8Å
586F64.3Low69Low76 Ų7648.5 Ų48.533%0.33324%0.239SC..EExtended strand (participates in β ladder)trans-121.9163.7174.9-61.3-89000110.1N526 Y532 K584N526-F586 WeakPolarHBondContact ND2-CD1 2.99Å; N526-F586 WeakPolarHBondContact ND2-CE1 3.46Å; Y532-F586 HydrophobicContact CD1-CD1 4.1Å; Y532-F586 AromaticContact CD1-CE1 3.68Å; Y532-F586 HydrophobicContact CD1-CE1 3.68Å; Y532-F586 HydrophobicContact CD2-CD1 4.26Å; Y532-F586 AromaticContact CD2-CE1 3.61Å; Y532-F586 HydrophobicContact CD2-CE1 3.61Å; Y532-F586 AromaticContact CD2-CZ 3.94Å; Y532-F586 HydrophobicContact CD2-CZ 3.94Å; Y532-F586 HydrophobicContact CE1-CE1 4.16Å; Y532-F586 HydrophobicContact CE2-CE1 4.09Å; Y532-F586 HydrophobicContact CE2-CZ 4.25Å; Y532-F586 AromaticContact CG-CD1 3.7Å; Y532-F586 HydrophobicContact CG-CD1 3.7Å; Y532-F586 AromaticContact CG-CE1 3.38Å; Y532-F586 HydrophobicContact CG-CE1 3.38Å; Y532-F586 HydrophobicContact CG-CZ 4.18Å; K584-F586 HydrophobicContact CB-CD2 4.3Å; K584-F586 HydrophobicContact CB-CE2 3.53Å; K584-F586 HydrophobicContact CB-CZ 4.07Å; K584-F586 HydrophobicContact CD-CZ 4.49Å
587N63.9Low70Confident121 Ų12141.1 Ų41.165%0.64721%0.205SC*.SBendtrans54.251.5179.2-70.5-5000113.5S589N587-S589 PolarHBondContact O-N 3.44Å
588L65.9Low71Confident49 Ų4932.4 Ų32.426%0.25716%0.164SC..  trans-51.7122.5-170.1-58.4179.8000114.6D531 I533 L585 I616D531-L588 HydrophobicContact CB-CD1 3.99Å; I533-L588 HydrophobicContact CD1-CD1 4.14Å; I533-L588 HydrophobicContact CD1-CD2 4.06Å; I533-L588 HydrophobicContact CG1-CD1 4.27Å; I533-L588 HydrophobicContact CG1-CD2 4.17Å; L585-L588 HydrophobicContact CB-CD2 4Å; L588-I616 HydrophobicContact CB-CD1 3.81Å; L588-I616 HydrophobicContact CB-CG1 4.03Å; L588-I616 HydrophobicContact CB-CG2 4.1Å; L588-I616 HydrophobicContact CD1-CD1 4.32Å; L588-I616 HydrophobicContact CD1-CG1 4.36Å; L588-I616 HydrophobicContact CD2-CD1 4.07Å; L588-I616 HydrophobicContact CG-CD1 4.27Å
589S61.9Low72.1Confident47 Ų4731.6 Ų31.633%0.32916%0.157SC..  trans-104.4161.1177-178.30000112.4N587 F591 D592 I616N587-S589 PolarHBondContact O-N 3.44Å; S589-F591 PolarHBondContact O-N 3.14Å; S589-F591 PolarHBondContact OG-N 3.46Å; S589-D592 WeakPolarHBondContact CB-OD2 3.24Å; S589-D592 PolarHBondContact N-OD2 2.83Å; S589-D592 WeakPolarHBondContact O-CB 3Å; S589-D592 PolarHBondContact O-N 3.42Å; S589-I616 VanDerWaalsContact C-CG2 3.42Å; S589-I616 VanDerWaalsContact O-CB 3.3Å; S589-I616 WeakPolarHBondContact O-CB 3.42Å; S589-I616 VanDerWaalsContact O-CG2 3.22Å; S589-I616 WeakPolarHBondContact O-CG2 3.28Å
590V65.1Low72.7Confident0 Ų027.1 Ų27.10%014%0.137CC..G310 helixtrans-54.5-34.4166.5157.80000111.4D592 S593 K617 S618 I672 L718V590-D592 PolarHBondContact O-N 3.32Å; V590-S593 WeakPolarHBondContact O-CB 2.86Å; V590-S593 PolarHBondContact O-N 3.4Å; V590-S593 PolarHBondContact O-OG 3.31Å; V590-K617 VanDerWaalsContact CG2-CA 3.49Å; V590-S618 WeakPolarHBondContact CG2-OG 3.19Å; V590-I672 HydrophobicContact CG1-CG2 3.85Å; V590-L718 HydrophobicContact CG1-CD1 3.61Å; V590-L718 HydrophobicContact CG1-CD2 3.75Å; V590-L718 HydrophobicContact CG1-CG 4.29Å
591F64Low72.8Confident77 Ų7730.7 Ų30.734%0.33815%0.154SC..G310 helixtrans-746.1175.2-62.1-74.8000114.4R555 S589 V621 I672R555-F591 PolarHBondContact NH1-O 2.9Å; R555-F591 PolarHBondContact NH2-O 3.49Å; S589-F591 PolarHBondContact O-N 3.14Å; S589-F591 PolarHBondContact OG-N 3.46Å; F591-V621 HydrophobicContact CE2-CB 3.99Å; F591-V621 HydrophobicContact CE2-CG1 3.91Å; F591-V621 HydrophobicContact CE2-CG2 4.03Å; F591-V621 HydrophobicContact CZ-CB 4.1Å; F591-V621 HydrophobicContact CZ-CG1 4.1Å; F591-I672 HydrophobicContact CE1-CD1 4.12Å; F591-I672 HydrophobicContact CE1-CG2 4.08Å; F591-I672 HydrophobicContact CZ-CB 4.49Å; F591-I672 HydrophobicContact CZ-CG2 3.97Å
592D66.7Low72.8Confident23 Ų2329 Ų2912%0.12315%0.147CC..G310 helixtrans-97.67.8168.2-66.2-57.1000113.3R555 S589 V590 Y596 I616R555-D592 IonicContact NH1-OD1 2.75Å; R555-D592 PolarHBondContact NH2-O 3.41Å; S589-D592 WeakPolarHBondContact CB-OD2 3.24Å; S589-D592 PolarHBondContact N-OD2 2.83Å; S589-D592 WeakPolarHBondContact O-CB 3Å; S589-D592 PolarHBondContact O-N 3.42Å; V590-D592 PolarHBondContact O-N 3.32Å; D592-Y596 PolarHBondContact O-OH 3.27Å; D592-I616 HydrophobicContact CB-CD1 3.58Å
593S69.4Low72.6Confident2 Ų234.4 Ų34.41%0.01417%0.171CC..  trans-79.9118.5171.5-45.90000111.6R555 V590 V614 L615 I616R555-S593 VanDerWaalsContact NH2-N 3.11Å; R555-S593 PolarHBondContact NH2-O 3.31Å; V590-S593 WeakPolarHBondContact O-CB 2.86Å; V590-S593 PolarHBondContact O-N 3.4Å; V590-S593 PolarHBondContact O-OG 3.31Å; S593-V614 CarbonylContact C-O 3.08Å; S593-V614 WeakPolarHBondContact CA-O 3.39Å; S593-L615 WeakPolarHBondContact OG-CD1 3.19Å; S593-I616 PolarHBondContact OG-N 2.96Å
594G74.2Confident72.3Confident0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans173.4-173.8-177.700000117S556 N613 V614S556-G594 CarbonylContact O-C 3.54Å; S556-G594 WeakPolarHBondContact O-CA 3.46Å; G594-N613 CarbonylContact O-C 3.53Å; G594-N613 VanDerWaalsContact O-CA 3.28Å; G594-N613 WeakPolarHBondContact O-CA 3.08Å; G594-V614 PolarHBondContact N-O 3.11Å; G594-V614 PolarHBondContact O-N 3Å
595I77.5Confident72.5Confident37 Ų3737 Ų3719%0.1919%0.192CC..EExtended strand (participates in β ladder)trans-113.893.9-174.3-43.6-174.4000112.9L554 R555 S556 S597 V612 N613 F716L554-I595 VanDerWaalsContact O-O 3.12Å; R555-I595 CarbonylContact C-O 3.31Å; R555-I595 WeakPolarHBondContact CA-O 3.41Å; S556-I595 PolarHBondContact N-O 3.29Å; S556-I595 PolarHBondContact O-N 2.94Å; I595-S597 PolarHBondContact O-OG 3.08Å; I595-V612 CarbonylContact C-O 3.14Å; I595-V612 VanDerWaalsContact C-O 3.28Å; I595-V612 WeakPolarHBondContact CA-O 3.17Å; I595-N613 WeakPolarHBondContact CG1-OD1 3.3Å; I595-N613 WeakPolarHBondContact CG2-OD1 3.32Å; I595-F716 HydrophobicContact CD1-CE1 3.89Å; I595-F716 HydrophobicContact CD1-CZ 4.09Å; I595-F716 HydrophobicContact CG1-CE1 3.61Å; I595-F716 HydrophobicContact CG1-CZ 4.09Å
596Y81.2Confident72.6Confident0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-77.6133-175.3-59-110.7000112.6L535 L554 R555 L566 L585 D592 S611 V612 V614L535-Y596 HydrophobicContact CD1-CD1 3.15Å; L535-Y596 HydrophobicContact CD1-CE1 3.86Å; L535-Y596 HydrophobicContact CD1-CG 3.59Å; L535-Y596 HydrophobicContact CG-CD1 4.49Å; L554-Y596 CarbonylContact O-C 3.52Å; R555-Y596 HydrophobicContact CB-CD1 4.29Å; R555-Y596 HydrophobicContact CB-CG 4.44Å; R555-Y596 VanDerWaalsContact CD-CE1 3.48Å; R555-Y596 HydrophobicContact CG-CD1 3.96Å; R555-Y596 HydrophobicContact CG-CD2 3.94Å; R555-Y596 HydrophobicContact CG-CE1 3.98Å; R555-Y596 HydrophobicContact CG-CE2 3.9Å; R555-Y596 HydrophobicContact CG-CG 3.94Å; R555-Y596 PolarHBondContact NE-OH 2.75Å; L566-Y596 HydrophobicContact CD1-CD1 3.47Å; L566-Y596 VanDerWaalsContact CD1-CD1 3.47Å; L566-Y596 HydrophobicContact CD1-CE1 4.36Å; L566-Y596 HydrophobicContact CD1-CG 4.13Å; L566-Y596 HydrophobicContact CD2-CD1 3.69Å; L566-Y596 HydrophobicContact CD2-CE1 3.72Å; L566-Y596 HydrophobicContact CG-CD1 4.2Å; L585-Y596 HydrophobicContact CD1-CE1 3.99Å; L585-Y596 VanDerWaalsContact CD1-OH 3.24Å; L585-Y596 WeakPolarHBondContact CD1-OH 3.32Å; L585-Y596 HydrophobicContact CD2-CE1 3.8Å; D592-Y596 PolarHBondContact O-OH 3.27Å; Y596-S611 CarbonylContact O-C 3.58Å; Y596-S611 WeakPolarHBondContact O-CA 3.23Å; Y596-V612 PolarHBondContact N-O 3.19Å; Y596-V612 PolarHBondContact O-N 3.04Å; Y596-V614 HydrophobicContact CD2-CG2 3.98Å; Y596-V614 HydrophobicContact CE2-CB 3.89Å; Y596-V614 HydrophobicContact CE2-CG2 3.71Å
597S79.1Confident73.2Confident4 Ų437.9 Ų37.93%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-143.1171.1-165-46.10000112.8W553 L554 I595 T610 S611W553-S597 CarbonylContact C-O 3.47Å; W553-S597 WeakPolarHBondContact CA-O 3.48Å; L554-S597 PolarHBondContact N-O 3.4Å; L554-S597 VanDerWaalsContact O-CA 3.27Å; L554-S597 WeakPolarHBondContact O-CA 3.21Å; L554-S597 WeakPolarHBondContact O-CB 3.49Å; L554-S597 PolarHBondContact O-N 2.8Å; L554-S597 PolarHBondContact O-OG 2.72Å; I595-S597 PolarHBondContact O-OG 3.08Å; S597-T610 CarbonylContact C-O 3.41Å; S597-T610 VanDerWaalsContact C-O 3.28Å; S597-T610 WeakPolarHBondContact CA-O 3.46Å; S597-T610 WeakPolarHBondContact CB-O 3.25Å; S597-S611 WeakPolarHBondContact CB-OG 3.4Å; S597-S611 VanDerWaalsContact OG-CB 3.28Å; S597-S611 WeakPolarHBondContact OG-CB 3.03Å; S597-S611 PolarHBondContact OG-OG 3.18Å
598C84Confident73.7Confident0 Ų038.6 Ų38.60%021%0.207CC..EExtended strand (participates in β ladder)trans-152.5141.9-178.7-167.80000116.7L519 C537 H552 W553 L609 T610L519-C598 HydrophobicContact CB-CB 4.37Å; L519-C598 HydrophobicContact CD2-CB 4.16Å; C537-C598 HydrophobicContact CB-CB 3.84Å; C537-C598 WeakPolarHBondContact CB-SG 3.46Å; C537-C598 WeakPolarHBondContact SG-CB 3.14Å; C537-C598 CovalentContact SG-SG 2.04Å; C537-C598 PolarHBondContact SG-SG 3.24Å; H552-C598 CarbonylContact O-C 3.55Å; H552-C598 WeakPolarHBondContact O-CA 3.43Å; W553-C598 HydrophobicContact CD2-CB 4.22Å; W553-C598 HydrophobicContact CE3-CB 4.19Å; C598-L609 CarbonylContact O-C 3.55Å; C598-L609 WeakPolarHBondContact O-CA 3.41Å; C598-T610 PolarHBondContact N-O 3.46Å; C598-T610 PolarHBondContact O-N 3.08Å
599F81Confident74.2Confident19 Ų1941 Ų418%0.08322%0.22CC..EExtended strand (participates in β ladder)trans-145-175.2170.275.9-74.8000112.4P517 H552 L554 Q601 Q608 L609P517-F599 VanDerWaalsContact CG-CA 3.46Å; H552-F599 HydrophobicContact CB-CD1 3.49Å; H552-F599 VanDerWaalsContact CB-CD1 3.49Å; H552-F599 HydrophobicContact CB-CD2 4.21Å; H552-F599 HydrophobicContact CB-CE1 3.18Å; H552-F599 HydrophobicContact CB-CE2 3.94Å; H552-F599 HydrophobicContact CB-CG 4Å; H552-F599 HydrophobicContact CB-CZ 3.43Å; H552-F599 VanDerWaalsContact CB-CZ 3.43Å; H552-F599 AromaticContact CD2-CE2 3.91Å; H552-F599 AromaticContact CG-CZ 3.82Å; H552-F599 PolarHBondContact N-O 3.18Å; H552-F599 WeakPolarHBondContact O-CD1 3.46Å; H552-F599 PolarHBondContact O-N 3.31Å; L554-F599 HydrophobicContact CD1-CD1 3.52Å; L554-F599 HydrophobicContact CD1-CE1 3.44Å; L554-F599 VanDerWaalsContact CD1-CE1 3.44Å; L554-F599 HydrophobicContact CG-CD1 4.2Å; L554-F599 HydrophobicContact CG-CE1 3.91Å; F599-Q601 HydrophobicContact CE2-CB 4.11Å; F599-Q608 WeakPolarHBondContact CA-O 3.46Å; F599-Q608 WeakPolarHBondContact CB-O 3.43Å; F599-L609 HydrophobicContact CB-CD2 3.83Å; F599-L609 HydrophobicContact CB-CG 4.31Å; F599-L609 HydrophobicContact CD1-CD2 3.65Å; F599-L609 HydrophobicContact CE1-CD2 4.46Å; F599-L609 HydrophobicContact CG-CD2 3.94Å
600V81.3Confident74.8Confident3 Ų341.1 Ų41.12%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-137.5157.5170.6-49.60000113G515 P517 T550 F551 S607G515-V600 WeakPolarHBondContact O-CG2 3.38Å; P517-V600 HydrophobicContact CB-CG1 4.03Å; P517-V600 HydrophobicContact CG-CG1 3.92Å; T550-V600 CarbonylContact O-C 3.53Å; T550-V600 WeakPolarHBondContact O-CA 3.33Å; T550-V600 VanDerWaalsContact O-CB 3.28Å; T550-V600 WeakPolarHBondContact O-CB 3.48Å; F551-V600 HydrophobicContact CD1-CG1 4.04Å; F551-V600 HydrophobicContact CD2-CG1 4.23Å; F551-V600 HydrophobicContact CE1-CG1 4.49Å; F551-V600 HydrophobicContact CG-CG1 3.97Å; V600-S607 PolarHBondContact N-OG 2.77Å; V600-S607 WeakPolarHBondContact O-CB 3.38Å; V600-S607 PolarHBondContact O-N 3.01Å; V600-S607 PolarHBondContact O-OG 3.01Å
601Q74.5Confident75.5Confident75 Ų7544.7 Ų44.735%0.3524%0.243SC..EExtended strand (participates in β ladder)trans-155160.6-176.5170170.4-16.200113P549 T550 F599 G605P549-Q601 CarbonylContact C-O 3.56Å; P549-Q601 WeakPolarHBondContact CA-O 3.49Å; P549-Q601 WeakPolarHBondContact CB-O 3.3Å; T550-Q601 PolarHBondContact N-O 3.18Å; T550-Q601 PolarHBondContact O-N 3.26Å; T550-Q601 PolarHBondContact OG1-O 2.59Å; F599-Q601 HydrophobicContact CE2-CB 4.11Å; Q601-G605 CarbonylContact C-O 3.52Å; Q601-G605 WeakPolarHBondContact CA-O 3.38Å; Q601-G605 WeakPolarHBondContact CG-O 3.3Å
602N77.8Confident76.1Confident11 Ų1143.6 Ų43.66%0.05924%0.243CC..EExtended strand (participates in β ladder)trans-136.9-171.1160.885.1-4.2000111.7Y512 S513 P514 L546 P547 P549 L604 G605Y512-N602 PolarHBondContact O-ND2 3.07Å; S513-N602 WeakPolarHBondContact CA-OD1 3.37Å; P514-N602 WeakPolarHBondContact CD-OD1 3.43Å; P514-N602 HydrophobicContact CG-CB 4.04Å; L546-N602 PolarHBondContact N-ND2 3.1Å; P547-N602 PolarHBondContact O-ND2 3.15Å; P549-N602 HydrophobicContact CB-CB 4.42Å; N602-L604 PolarHBondContact O-N 3.3Å; N602-L604 VanDerWaalsContact O-N 3.09Å; N602-L604 PolarHBondContact OD1-N 2.82Å; N602-G605 PolarHBondContact N-O 2.72Å; N602-G605 PolarHBondContact O-N 3.27Å; N602-G605 PolarHBondContact OD1-N 3.02Å
603E71.9Confident76.4Confident133 Ų13347.1 Ų47.162%0.62126%0.262SS*.THydrogen-bonded Turntrans-55.3-22.7-177.3-67.9177.8-178.300115.9N511 P547N511-E603 PolarHBondContact ND2-OE2 2.75Å; P547-E603 VanDerWaalsContact CD-OE2 3.29Å; P547-E603 WeakPolarHBondContact CD-OE2 3.36Å; P547-E603 HydrophobicContact CG-CB 4.43Å; P547-E603 HydrophobicContact CG-CG 3.81Å; P547-E603 WeakPolarHBondContact CG-OE1 3.46Å; P547-E603 WeakPolarHBondContact CG-OE2 3.39Å
604L69.4Low76.6Confident77 Ų7747.6 Ų47.640%0.40327%0.265SS..THydrogen-bonded Turntrans-1215.4-177.7-71.993.1000114.5N511 S513 N602N511-L604 HydrophobicContact CB-CD1 3.59Å; S513-L604 VanDerWaalsContact CB-C 3.46Å; S513-L604 WeakPolarHBondContact CB-O 3.5Å; N602-L604 PolarHBondContact O-N 3.3Å; N602-L604 VanDerWaalsContact O-N 3.09Å; N602-L604 PolarHBondContact OD1-N 2.82Å
605G75.1Confident76.3Confident24 Ų2452.5 Ų52.525%0.24729%0.29CS..EExtended strand (participates in β ladder)trans170.4166.7174.700000115.9P514 Q601 N602P514-G605 WeakPolarHBondContact CD-O 3.35Å; P514-G605 VanDerWaalsContact CG-O 3.26Å; P514-G605 WeakPolarHBondContact CG-O 3.39Å; Q601-G605 CarbonylContact C-O 3.52Å; Q601-G605 WeakPolarHBondContact CA-O 3.38Å; Q601-G605 WeakPolarHBondContact CG-O 3.3Å; N602-G605 PolarHBondContact N-O 2.72Å; N602-G605 PolarHBondContact O-N 3.27Å; N602-G605 PolarHBondContact OD1-N 3.02Å
606S76.2Confident76Confident74 Ų7451.9 Ų51.952%0.51729%0.287SS..EExtended strand (participates in β ladder)trans-135.5166.2-172.560.30000114.2
607S77.5Confident75.4Confident19 Ų1960 Ų6013%0.13332%0.323CS..  trans-110.3-179.1-177.387.80000114.8Q516 V600Q516-S607 WeakPolarHBondContact CA-OG 3.27Å; V600-S607 PolarHBondContact N-OG 2.77Å; V600-S607 WeakPolarHBondContact O-CB 3.38Å; V600-S607 PolarHBondContact O-N 3.01Å; V600-S607 PolarHBondContact O-OG 3.01Å
608Q74.1Confident74.6Confident137 Ų13761.8 Ų61.864%0.6434%0.335SS*.  trans-89.7179.3178-58.6-179.81.900114.1Q516 F599Q516-Q608 HydrophobicContact CG-CB 4.27Å; F599-Q608 WeakPolarHBondContact CA-O 3.46Å; F599-Q608 WeakPolarHBondContact CB-O 3.43Å
609L75.8Confident73.8Confident100 Ų10065.8 Ų65.852%0.52435%0.352SS..  trans-126.3162.3-149.5-61.5150.9000115.3L554 C598 F599L554-L609 HydrophobicContact CD1-CD2 3.27Å; C598-L609 CarbonylContact O-C 3.55Å; C598-L609 WeakPolarHBondContact O-CA 3.41Å; F599-L609 HydrophobicContact CB-CD2 3.83Å; F599-L609 HydrophobicContact CB-CG 4.31Å; F599-L609 HydrophobicContact CD1-CD2 3.65Å; F599-L609 HydrophobicContact CE1-CD2 4.46Å; F599-L609 HydrophobicContact CG-CD2 3.94Å
610T75.9Confident73.3Confident48 Ų4864.9 Ų64.929%0.29435%0.348SS..  trans-154.4156.7172.953.40000112.5L519 S597 C598L519-T610 WeakPolarHBondContact CD2-O 3.36Å; S597-T610 CarbonylContact C-O 3.41Å; S597-T610 VanDerWaalsContact C-O 3.28Å; S597-T610 WeakPolarHBondContact CA-O 3.46Å; S597-T610 WeakPolarHBondContact CB-O 3.25Å; C598-T610 PolarHBondContact N-O 3.46Å; C598-T610 PolarHBondContact O-N 3.08Å
611S79.1Confident72.9Confident75 Ų7566.9 Ų66.952%0.52436%0.36SS..EExtended strand (participates in β ladder)trans-152.3153.7-163.3-56.60000120.8Y596 S597Y596-S611 CarbonylContact O-C 3.58Å; Y596-S611 WeakPolarHBondContact O-CA 3.23Å; S597-S611 WeakPolarHBondContact CB-OG 3.4Å; S597-S611 VanDerWaalsContact OG-CB 3.28Å; S597-S611 WeakPolarHBondContact OG-CB 3.03Å; S597-S611 PolarHBondContact OG-OG 3.18Å
612V75.9Confident72.6Confident55 Ų5565.2 Ų65.233%0.33335%0.354SS..EExtended strand (participates in β ladder)trans-155.5149.7177.6-175.90000116.4L519 V521 I595 Y596L519-V612 HydrophobicContact CD1-CG2 3.89Å; V521-V612 HydrophobicContact CB-CG1 4.42Å; V521-V612 HydrophobicContact CG2-CB 3.94Å; V521-V612 HydrophobicContact CG2-CG1 3.68Å; V521-V612 HydrophobicContact CG2-CG2 4.12Å; I595-V612 CarbonylContact C-O 3.14Å; I595-V612 VanDerWaalsContact C-O 3.28Å; I595-V612 WeakPolarHBondContact CA-O 3.17Å; Y596-V612 PolarHBondContact N-O 3.19Å; Y596-V612 PolarHBondContact O-N 3.04Å
613N74Confident71.9Confident96 Ų9667.9 Ų67.951%0.51337%0.367SS..EExtended strand (participates in β ladder)trans-104.2155.7-171.3-60.231.4000119.7G594 I595G594-N613 CarbonylContact O-C 3.53Å; G594-N613 VanDerWaalsContact O-CA 3.28Å; G594-N613 WeakPolarHBondContact O-CA 3.08Å; I595-N613 WeakPolarHBondContact CG1-OD1 3.3Å; I595-N613 WeakPolarHBondContact CG2-OD1 3.32Å
614V73Confident71.5Confident13 Ų1365.8 Ų65.88%0.07936%0.36CS..EExtended strand (participates in β ladder)trans-149.4159.7177.4-175.10000114.3I533 S593 G594 Y596 I616I533-V614 HydrophobicContact CD1-CG1 3.56Å; S593-V614 CarbonylContact C-O 3.08Å; S593-V614 WeakPolarHBondContact CA-O 3.39Å; G594-V614 PolarHBondContact N-O 3.11Å; G594-V614 PolarHBondContact O-N 3Å; Y596-V614 HydrophobicContact CD2-CG2 3.98Å; Y596-V614 HydrophobicContact CE2-CB 3.89Å; Y596-V614 HydrophobicContact CE2-CG2 3.71Å; V614-I616 HydrophobicContact CG1-CD1 4.44Å
615L68.8Low71Confident102 Ų10267.7 Ų67.753%0.53437%0.365SS..  trans-156.9139.5179.2173.361.4000117.2S593 F716 L718S593-L615 WeakPolarHBondContact OG-CD1 3.19Å; L615-F716 WeakPolarHBondContact CD1-O 3.37Å; L615-F716 WeakPolarHBondContact CD2-O 3.41Å; L615-L718 HydrophobicContact CD1-CD2 4.01Å; L615-L718 HydrophobicContact CD1-CG 4.44Å
616I71Confident70.4Confident25 Ų2567.2 Ų67.213%0.12836%0.358CS..  trans-138175.9-175.3-68.7133.6000114.6L588 S589 D592 S593 V614L588-I616 HydrophobicContact CB-CD1 3.81Å; L588-I616 HydrophobicContact CB-CG1 4.03Å; L588-I616 HydrophobicContact CB-CG2 4.1Å; L588-I616 HydrophobicContact CD1-CD1 4.32Å; L588-I616 HydrophobicContact CD1-CG1 4.36Å; L588-I616 HydrophobicContact CD2-CD1 4.07Å; L588-I616 HydrophobicContact CG-CD1 4.27Å; S589-I616 VanDerWaalsContact C-CG2 3.42Å; S589-I616 VanDerWaalsContact O-CB 3.3Å; S589-I616 WeakPolarHBondContact O-CB 3.42Å; S589-I616 VanDerWaalsContact O-CG2 3.22Å; S589-I616 WeakPolarHBondContact O-CG2 3.28Å; D592-I616 HydrophobicContact CB-CD1 3.58Å; S593-I616 PolarHBondContact OG-N 2.96Å; V614-I616 HydrophobicContact CG1-CD1 4.44Å
617K67.5Low69.7Low171 Ų17168 Ų6874%0.74336%0.356SS*.  trans-134.1147.2-172-59.4176.3-175.5171.40116.2V590V590-K617 VanDerWaalsContact CG2-CA 3.49Å
618S63.6Low68.8Low40 Ų4071.9 Ų71.928%0.2837%0.372SS..  trans-166.3179.3177.975.50000115.4V590 S674V590-S618 WeakPolarHBondContact CG2-OG 3.19Å; S618-S674 PolarHBondContact N-OG 3.16Å; S618-S674 PolarHBondContact O-OG 2.9Å
619K66.2Low68.1Low85 Ų8572.9 Ų72.937%0.3737%0.374SS..SBendtrans-59.6171.8163.976.2152.4179.5169.30112.9M789 E792K619-M789 HydrophobicContact CB-CB 3.69Å; K619-E792 WeakPolarHBondContact CE-OE1 3.2Å; K619-E792 IonicContact NZ-OE1 3.17Å; K619-E792 PolarHBondContact NZ-OE1 3.08Å
620P71.6Confident67.4Low0 Ų069.7 Ų69.70%036%0.357CS..  trans-66.6155.4176.3-9.426.4000111.2I672 N787 E792P620-I672 CarbonylContact C-O 3.44Å; P620-I672 WeakPolarHBondContact CA-O 2.83Å; P620-N787 VanDerWaalsContact CD-CG 3.46Å; P620-N787 WeakPolarHBondContact CD-ND2 3.02Å; P620-N787 WeakPolarHBondContact CD-OD1 3.48Å; P620-N787 HydrophobicContact CG-CB 3.92Å; P620-E792 WeakPolarHBondContact O-CG 3.31Å
621V71.3Confident66.6Low44 Ų4470.7 Ų70.727%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-139.1130.9173.8-172.30000109.6F591 F671 I672F591-V621 HydrophobicContact CE2-CB 3.99Å; F591-V621 HydrophobicContact CE2-CG1 3.91Å; F591-V621 HydrophobicContact CE2-CG2 4.03Å; F591-V621 HydrophobicContact CZ-CB 4.1Å; F591-V621 HydrophobicContact CZ-CG1 4.1Å; V621-F671 CarbonylContact O-C 3.56Å; V621-F671 VanDerWaalsContact O-CA 3.32Å; V621-F671 WeakPolarHBondContact O-CA 3.31Å; V621-I672 PolarHBondContact N-O 3.01Å; V621-I672 PolarHBondContact O-N 2.61Å
622L67.9Low65.4Low41 Ų4167.8 Ų67.822%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-72.2126.6171-175.873.2000109.8C669 F671L622-C669 HydrophobicContact CD1-CB 4.08Å; L622-F671 HydrophobicContact CB-CD1 4.02Å; L622-F671 HydrophobicContact CB-CE1 4Å; L622-F671 HydrophobicContact CD1-CD1 3.82Å; L622-F671 HydrophobicContact CD1-CD2 4.33Å; L622-F671 HydrophobicContact CD1-CE1 3.55Å; L622-F671 HydrophobicContact CD1-CE2 4.08Å; L622-F671 HydrophobicContact CD1-CG 4.22Å; L622-F671 HydrophobicContact CD1-CZ 3.69Å; L622-F671 HydrophobicContact CG-CE1 4.35Å
623I62.9Low64.5Low66 Ų6670 Ų7034%0.33835%0.349SS..EExtended strand (participates in β ladder)trans-96.9-53.9-178.1-40.8164.3000110.4T670 I672I623-T670 WeakPolarHBondContact CB-O 3.45Å; I623-T670 HydrophobicContact CD1-CG2 3.89Å; I623-T670 PolarHBondContact N-O 3.36Å; I623-I672 HydrophobicContact CD1-CB 3.79Å; I623-I672 HydrophobicContact CD1-CD1 3.67Å; I623-I672 HydrophobicContact CD1-CG1 3.62Å; I623-I672 HydrophobicContact CG1-CB 4Å; I623-I672 HydrophobicContact CG1-CD1 4.36Å; I623-I672 HydrophobicContact CG1-CG1 4.34Å
624N64.1Low63.5Low89 Ų8967.2 Ų67.248%0.47633%0.332SS..EExtended strand (participates in β ladder)trans-110.1117.1-177.7-69.5-31.7000109T670N624-T670 WeakPolarHBondContact CB-OG1 3.34Å; N624-T670 PolarHBondContact N-O 3.05Å; N624-T670 PolarHBondContact ND2-OG1 2.73Å; N624-T670 PolarHBondContact O-N 3.46Å
625K58.8Low62.2Low117 Ų11772.6 Ų72.651%0.50936%0.356SS..PPolyproline II helixtrans-86.8130.2164.5-170.1-172.5-178.7-175.90108.7E628K625-E628 IonicContact NZ-OE1 2.96Å; K625-E628 PolarHBondContact NZ-OE1 3.29Å
626P63.6Low61.1Low14 Ų1472 Ų729%0.09135%0.353CS..PPolyproline II helixtrans-67.6162.3174.126.1-35.4000113.2E628 N668 I796P626-E628 PolarHBondContact O-N 2.92Å; P626-N668 WeakPolarHBondContact CB-O 3.43Å; P626-I796 HydrophobicContact CB-CD1 3.5Å; P626-I796 HydrophobicContact CB-CG1 3.57Å; P626-I796 HydrophobicContact CG-CD1 3.44Å; P626-I796 VanDerWaalsContact CG-CD1 3.44Å; P626-I796 HydrophobicContact CG-CG1 3.23Å
627N61.5Low59.5Low90 Ų9077.2 Ų77.248%0.48138%0.375SS..PPolyproline II helixtrans-60.5132.2-177.6-82.1-12.5000112.7K629 N665N627-K629 PolarHBondContact O-N 3.15Å; N627-N665 PolarHBondContact ND2-ND2 2.88Å; N627-N665 PolarHBondContact ND2-OD1 2.89Å
628E58.5Low57.9Low102 Ų10277 Ų7748%0.47738%0.377SS..SBendtrans-72.5-23-170.7-58.1-168.3154.300114.5K625 P626 N797K625-E628 IonicContact NZ-OE1 2.96Å; K625-E628 PolarHBondContact NZ-OE1 3.29Å; P626-E628 PolarHBondContact O-N 2.92Å; E628-N797 WeakPolarHBondContact O-CB 3.48Å; E628-N797 PolarHBondContact O-N 2.83Å; E628-N797 VanDerWaalsContact O-N 3.13Å; E628-N797 PolarHBondContact O-ND2 3.42Å
629K59.8Low56.4Low157 Ų15780.5 Ų80.568%0.68340%0.397SS*.  trans-145.9133.6-176.7-67173.7-175.8142.50110.8N627 N797N627-K629 PolarHBondContact O-N 3.15Å; K629-N797 CarbonylContact C-O 3.58Å; K629-N797 WeakPolarHBondContact CA-O 3.4Å
630M60.8Low54.9Low34 Ų3480.8 Ų80.817%0.16740%0.401CS..EExtended strand (participates in β ladder)trans-134.5155178.8-177.7177.3-175.700110.6D664 N797 L798 R799M630-D664 WeakPolarHBondContact CE-O 3.08Å; M630-N797 PolarHBondContact N-O 3.33Å; M630-L798 HydrophobicContact CB-CD1 3.57Å; M630-L798 HydrophobicContact CG-CD1 3.56Å; M630-L798 CarbonylContact O-C 3.35Å; M630-L798 WeakPolarHBondContact O-CA 3.3Å; M630-L798 HydrophobicContact SD-CD1 3.93Å; M630-R799 PolarHBondContact O-N 2.89Å
631T58.1Low53Low68 Ų6889.5 Ų89.542%0.41744%0.442SS..EExtended strand (participates in β ladder)trans-134139.3-175.448.30000114.6R799T631-R799 CarbonylContact C-O 2.98Å; T631-R799 VanDerWaalsContact CA-O 3.25Å; T631-R799 WeakPolarHBondContact CA-O 3.48Å
632L55.5Low51.5Low14 Ų1496.4 Ų96.47%0.07347%0.471CS..EExtended strand (participates in β ladder)trans-106.8149.7173.5-59.5171000112M661 L798 R799 V800 Q801L632-M661 HydrophobicContact CD2-CB 4.34Å; L632-M661 HydrophobicContact CD2-CG 3.91Å; L632-L798 HydrophobicContact CD1-CD2 4.17Å; L632-L798 HydrophobicContact CG-CD1 4.34Å; L632-R799 PolarHBondContact N-O 3.01Å; L632-V800 HydrophobicContact CB-CG1 4.18Å; L632-V800 HydrophobicContact CB-CG2 4.13Å; L632-V800 HydrophobicContact CD1-CG2 4.25Å; L632-V800 WeakPolarHBondContact O-CA 3.22Å; L632-V800 WeakPolarHBondContact O-CG1 3.26Å; L632-Q801 PolarHBondContact O-N 3.29Å
633E55.2Low50.1Low103 Ų103101.8 Ų101.848%0.48150%0.501SS..EExtended strand (participates in β ladder)trans-126.7153.3172.6-76.6-172.2173.200111.2I662E633-I662 HydrophobicContact CB-CD1 4.37Å; E633-I662 HydrophobicContact CG-CD1 3.94Å
634F53.8Low48.9Very low36 Ų36101.6 Ų101.616%0.15850%0.503CS..  trans-107122.3174.8-64-70.7000111.2Y657 E770 I773 I774 V800F634-Y657 HydrophobicContact CD1-CE1 4.3Å; F634-E770 HydrophobicContact CD1-CG 4.13Å; F634-E770 HydrophobicContact CD2-CG 4.37Å; F634-E770 HydrophobicContact CE1-CB 4.29Å; F634-E770 HydrophobicContact CE1-CG 4.07Å; F634-E770 HydrophobicContact CE2-CB 4.11Å; F634-E770 HydrophobicContact CE2-CG 4.3Å; F634-E770 HydrophobicContact CG-CG 4.28Å; F634-E770 HydrophobicContact CZ-CB 3.93Å; F634-E770 HydrophobicContact CZ-CG 4.16Å; F634-E770 WeakPolarHBondContact CZ-O 3.06Å; F634-I773 HydrophobicContact CE1-CB 4.3Å; F634-I773 HydrophobicContact CE1-CD1 3.99Å; F634-I773 HydrophobicContact CE1-CG2 4.06Å; F634-I773 HydrophobicContact CZ-CB 4.31Å; F634-I773 HydrophobicContact CZ-CG2 4.19Å; F634-I774 HydrophobicContact CE2-CD1 4.36Å; F634-I774 HydrophobicContact CE2-CG1 4.4Å; F634-I774 HydrophobicContact CZ-CG1 4.35Å; F634-V800 HydrophobicContact CD2-CG1 4.02Å; F634-V800 HydrophobicContact CE2-CG1 3.45Å; F634-V800 VanDerWaalsContact CE2-CG1 3.45Å; F634-V800 HydrophobicContact CZ-CG1 4Å
635Q46.8Very low48.1Very low127 Ų127103.3 Ų103.359%0.59352%0.516SS*.  trans-93.2153169.2-65.3-167.1-2.400111.8
636N45.5Very low47.4Very low89 Ų89101.5 Ų101.548%0.47651%0.512SS..  trans-93.9108.5179.2-81.5-36.6000111.3K766N636-K766 PolarHBondContact OD1-NZ 3.1Å
637F36.9Very low46.5Very low134 Ų134105.5 Ų105.559%0.58853%0.53SS*.  trans-79.6137.7160.6-111.9-96.4000111.2T658F637-T658 VanDerWaalsContact CD2-OG1 3.22Å; F637-T658 WeakPolarHBondContact CD2-OG1 3.46Å
638H34.1Very low45.9Very low166 Ų166108.1 Ų108.177%0.76954%0.539SS*.  trans-124.747.3-172.4-90.6-77.1000113
639T31.1Very low45.4Very low114 Ų114106 Ų10670%0.69953%0.531SS*.  trans-158.6111.2166.440.80000111.4
640I35Very low44.8Very low92 Ų92100.8 Ų100.847%0.47251%0.51SS..  trans-136.9109.8154.3-59.9-177.9000106.2Y762I640-Y762 HydrophobicContact CD1-CE2 3.92Å
641E32.9Very low44.1Very low182 Ų182100.9 Ų100.985%0.8551%0.511SS*.  trans-77.6131.4177.9-65.4-163.7137.500110.9N643E641-N643 PolarHBondContact O-N 2.82Å
642Q38Very low43.4Very low189 Ų189101.8 Ų101.888%0.88351%0.51SS*.SBendtrans-79.479.1-169.5-64178.4-22.200112.2
643N39Very low43Very low155 Ų155103.6 Ų103.683%0.82952%0.52SS*.  trans-152.918177.4-106.1-29.5000118.7E641E641-N643 PolarHBondContact O-N 2.82Å
644T37.9Very low42.6Very low62 Ų62100.4 Ų100.438%0.3851%0.506SS..  trans-97.2116.8170.748.20000112D649 I650 N653T644-D649 HydrophobicContact CG2-CB 4.47Å; T644-I650 WeakPolarHBondContact O-CD1 3.26Å; T644-I650 WeakPolarHBondContact O-CG1 3.46Å; T644-N653 PolarHBondContact OG1-ND2 2.76Å
645T48Very low42.2Very low125 Ų12599.4 Ų99.477%0.76750%0.502SS*.  trans-102.531.9-177.362.10000113.4Y758T645-Y758 PolarHBondContact O-OH 3.14Å
646N44.5Very low41.9Very low79 Ų7999.8 Ų99.842%0.42250%0.504SS..  trans-128.1131.6-174.4-172.118000109.8Q648 D649 I650 Y758N646-Q648 VanDerWaalsContact C-N 3.32Å; N646-Q648 PolarHBondContact O-N 2.88Å; N646-D649 HydrophobicContact CB-CB 4.17Å; N646-D649 VanDerWaalsContact CB-OD2 3.23Å; N646-D649 WeakPolarHBondContact CB-OD2 3.36Å; N646-D649 PolarHBondContact ND2-OD2 3.34Å; N646-D649 PolarHBondContact O-N 2.64Å; N646-I650 PolarHBondContact O-N 3.36Å; N646-Y758 PolarHBondContact N-OH 2.9Å
647Q44.6Very low41.9Very low97 Ų9797.3 Ų97.345%0.45349%0.489SS..Hα-helixtrans-69.7-30.5-165.8-171173.4-3.700112.7I651 Y758Q647-I651 WeakPolarHBondContact O-CG1 3.25Å; Q647-Y758 PolarHBondContact N-OH 2.91Å
648Q48.2Very low42Very low146 Ų14693.8 Ų93.868%0.68248%0.478SS*.Hα-helixtrans-72.6-41.8173-67.9-176.2-12.400111.7N646 I651 Q652N646-Q648 VanDerWaalsContact C-N 3.32Å; N646-Q648 PolarHBondContact O-N 2.88Å; Q648-I651 PolarHBondContact O-N 2.89Å; Q648-Q652 WeakPolarHBondContact O-CB 3.39Å; Q648-Q652 PolarHBondContact O-N 2.81Å
649D47.4Very low42.5Very low58 Ų5888 Ų8831%0.3145%0.452SS..Hα-helixtrans-68-37.5-178.4-61.3-34.8000112.1T644 N646 I651 Q652 N653T644-D649 HydrophobicContact CG2-CB 4.47Å; N646-D649 HydrophobicContact CB-CB 4.17Å; N646-D649 VanDerWaalsContact CB-OD2 3.23Å; N646-D649 WeakPolarHBondContact CB-OD2 3.36Å; N646-D649 PolarHBondContact ND2-OD2 3.34Å; N646-D649 PolarHBondContact O-N 2.64Å; D649-I651 PolarHBondContact O-N 2.94Å; D649-Q652 PolarHBondContact O-N 3.1Å; D649-N653 VanDerWaalsContact O-CB 3.28Å; D649-N653 WeakPolarHBondContact O-CB 3.48Å; D649-N653 PolarHBondContact O-N 2.67Å; D649-N653 PolarHBondContact O-ND2 3.49Å; D649-N653 PolarHBondContact O-OD1 2.89Å
650I47.7Very low42.9Very low46 Ų4688.5 Ų88.524%0.23645%0.446CS..Hα-helixtrans-61.2-44.5173.9-68.5173.4000111.2T644 N646 Q652 N653 L654 Y758T644-I650 WeakPolarHBondContact O-CD1 3.26Å; T644-I650 WeakPolarHBondContact O-CG1 3.46Å; N646-I650 PolarHBondContact O-N 3.36Å; I650-Q652 VanDerWaalsContact C-N 3.3Å; I650-Q652 PolarHBondContact O-N 3.32Å; I650-N653 PolarHBondContact O-N 2.73Å; I650-L654 HydrophobicContact CG2-CD1 3.87Å; I650-L654 WeakPolarHBondContact O-CD1 3.4Å; I650-L654 PolarHBondContact O-N 3.39Å; I650-Y758 HydrophobicContact CD1-CD1 3.78Å; I650-Y758 HydrophobicContact CD1-CE1 3.24Å; I650-Y758 HydrophobicContact CD1-CE2 4.48Å
651I45.7Very low43.2Very low36 Ų3687.7 Ų87.719%0.18544%0.441CS..Hα-helixtrans-64.6-38.3176-67.2170.7000110.5Q647 Q648 D649 L655Q647-I651 WeakPolarHBondContact O-CG1 3.25Å; Q648-I651 PolarHBondContact O-N 2.89Å; D649-I651 PolarHBondContact O-N 2.94Å; I651-L655 HydrophobicContact CG2-CD1 4.12Å; I651-L655 WeakPolarHBondContact O-CB 3.27Å; I651-L655 WeakPolarHBondContact O-CD1 3.42Å; I651-L655 WeakPolarHBondContact O-CG 3.41Å; I651-L655 PolarHBondContact O-N 2.66Å
652Q44.6Very low43.7Very low87 Ų8782.8 Ų82.841%0.40742%0.42SS..Hα-helixtrans-69.4-37.8-179.7-162.4143-65.400112.8Q648 D649 I650 L655 R733 K737Q648-Q652 WeakPolarHBondContact O-CB 3.39Å; Q648-Q652 PolarHBondContact O-N 2.81Å; D649-Q652 PolarHBondContact O-N 3.1Å; I650-Q652 VanDerWaalsContact C-N 3.3Å; I650-Q652 PolarHBondContact O-N 3.32Å; Q652-L655 CarbonylContact O-C 3.47Å; Q652-L655 WeakPolarHBondContact O-CB 3.36Å; Q652-L655 PolarHBondContact O-N 3.17Å; Q652-R733 PolarHBondContact O-NH2 3.47Å; Q652-K737 VanDerWaalsContact OE1-NZ 3.14Å
653N46.1Very low43.8Very low52 Ų5279 Ų7928%0.27841%0.412SS..Hα-helixtrans-74.9-37.2177.1-65.9-8.8000112.1T644 D649 I650 L655 E656T644-N653 PolarHBondContact OG1-ND2 2.76Å; D649-N653 VanDerWaalsContact O-CB 3.28Å; D649-N653 WeakPolarHBondContact O-CB 3.48Å; D649-N653 PolarHBondContact O-N 2.67Å; D649-N653 PolarHBondContact O-ND2 3.49Å; D649-N653 PolarHBondContact O-OD1 2.89Å; I650-N653 PolarHBondContact O-N 2.73Å; N653-L655 PolarHBondContact O-N 3.48Å; N653-E656 PolarHBondContact O-N 2.82Å; N653-E656 VanDerWaalsContact O-N 3.09Å
654L47.3Very low43.9Very low36 Ų3677.8 Ų77.819%0.18841%0.406CS..Hα-helixtrans-64.6-25169.7-101105.7000112.7I650 E656 L765 F769I650-L654 HydrophobicContact CG2-CD1 3.87Å; I650-L654 WeakPolarHBondContact O-CD1 3.4Å; I650-L654 PolarHBondContact O-N 3.39Å; L654-E656 PolarHBondContact O-N 3.15Å; L654-L765 HydrophobicContact CD2-CB 4.1Å; L654-L765 HydrophobicContact CD2-CD1 4.09Å; L654-L765 HydrophobicContact CD2-CD2 3.84Å; L654-L765 HydrophobicContact CD2-CG 4.23Å; L654-F769 HydrophobicContact CB-CZ 4.3Å; L654-F769 HydrophobicContact CD2-CD2 4.22Å; L654-F769 HydrophobicContact CD2-CE2 3.58Å; L654-F769 HydrophobicContact CD2-CZ 3.85Å
655L45.1Very low44.6Very low16 Ų1679.1 Ų79.18%0.08441%0.41CS..THydrogen-bonded Turntrans-82.316.7172.2-81.1162.2000113.6I651 Q652 N653 Y657 R733 M736 K737I651-L655 HydrophobicContact CG2-CD1 4.12Å; I651-L655 WeakPolarHBondContact O-CB 3.27Å; I651-L655 WeakPolarHBondContact O-CD1 3.42Å; I651-L655 WeakPolarHBondContact O-CG 3.41Å; I651-L655 PolarHBondContact O-N 2.66Å; Q652-L655 CarbonylContact O-C 3.47Å; Q652-L655 WeakPolarHBondContact O-CB 3.36Å; Q652-L655 PolarHBondContact O-N 3.17Å; N653-L655 PolarHBondContact O-N 3.48Å; L655-Y657 VanDerWaalsContact C-N 3.34Å; L655-R733 HydrophobicContact CB-CG 4.46Å; L655-R733 HydrophobicContact CD2-CG 4.12Å; L655-R733 PolarHBondContact O-NE 2.99Å; L655-R733 PolarHBondContact O-NH2 3.23Å; L655-M736 HydrophobicContact CD2-CB 4.32Å; L655-K737 HydrophobicContact CD1-CB 3.7Å; L655-K737 HydrophobicContact CD1-CD 3.91Å; L655-K737 HydrophobicContact CD1-CG 3.76Å
656E41Very low45.1Very low135 Ų13576.9 Ų76.963%0.63140%0.397SS*.THydrogen-bonded Turntrans-97.528163-58.3-152.5139.400112.7N653 L654 T658N653-E656 PolarHBondContact O-N 2.82Å; N653-E656 VanDerWaalsContact O-N 3.09Å; L654-E656 PolarHBondContact O-N 3.15Å; E656-T658 PolarHBondContact O-N 2.95Å
657Y44.6Very low46.2Very low37 Ų3773.5 Ų73.515%0.14538%0.378CS..  trans-73.8102.6165.5-139.3-95.3000109.6F634 L655 I659 K766 E770F634-Y657 HydrophobicContact CD1-CE1 4.3Å; L655-Y657 VanDerWaalsContact C-N 3.34Å; Y657-I659 PolarHBondContact O-N 3.29Å; Y657-K766 HydrophobicContact CE2-CD 4.33Å; Y657-K766 HydrophobicContact CE2-CG 4.1Å; Y657-K766 WeakPolarHBondContact OH-CD 3.42Å; Y657-K766 WeakPolarHBondContact OH-CE 3.34Å; Y657-K766 WeakPolarHBondContact OH-CG 3.11Å; Y657-K766 PolarHBondContact OH-NZ 3.22Å; Y657-E770 HydrophobicContact CE1-CG 4.11Å; Y657-E770 PolarHBondContact OH-OE1 3.12Å
658T40.3Very low47.8Very low60 Ų6071.1 Ų71.137%0.36837%0.369SS..  trans-74.189.3-17835.30000111.9F637 E656 H660F637-T658 VanDerWaalsContact CD2-OG1 3.22Å; F637-T658 WeakPolarHBondContact CD2-OG1 3.46Å; E656-T658 PolarHBondContact O-N 2.95Å; T658-H660 VanDerWaalsContact C-N 3.31Å; T658-H660 PolarHBondContact O-N 3.44Å
659I43.5Very low49.2Very low43 Ų4364.2 Ų64.222%0.22134%0.336CS..  trans-71.690.1164-48.7171.4000108Y657 M661 F729 I773Y657-I659 PolarHBondContact O-N 3.29Å; I659-M661 PolarHBondContact O-N 3.28Å; I659-F729 HydrophobicContact CB-CE2 4.22Å; I659-I773 HydrophobicContact CD1-CD1 3.61Å; I659-I773 HydrophobicContact CD1-CG1 3.87Å; I659-I773 HydrophobicContact CD1-CG2 3.95Å; I659-I773 HydrophobicContact CG1-CD1 4.01Å
660H39.5Very low50.8Low126 Ų12661.7 Ų61.758%0.58332%0.323SS*.  trans-69.9109.9155.7-96.4-77.5000108T658 I662T658-H660 VanDerWaalsContact C-N 3.31Å; T658-H660 PolarHBondContact O-N 3.44Å; H660-I662 PolarHBondContact O-N 2.93Å
661M41.3Very low52.2Low74 Ų7459.5 Ų59.537%0.36531%0.312SS..  trans-57.3136.7151.2-64.2-169.2-70.300107.2L632 I659 P663L632-M661 HydrophobicContact CD2-CB 4.34Å; L632-M661 HydrophobicContact CD2-CG 3.91Å; I659-M661 PolarHBondContact O-N 3.28Å; M661-P663 VanDerWaalsContact O-CD 3.31Å; M661-P663 WeakPolarHBondContact O-CD 3.09Å; M661-P663 VanDerWaalsContact O-N 3.16Å
662I42.8Very low53.7Low80 Ų8058.3 Ų58.341%0.4131%0.306SS..  trans-60.7117.2160.4-60.8174.3000104.9E633 H660 D664E633-I662 HydrophobicContact CB-CD1 4.37Å; E633-I662 HydrophobicContact CG-CD1 3.94Å; H660-I662 PolarHBondContact O-N 2.93Å; I662-D664 PolarHBondContact O-N 3.25Å
663P40Very low55.3Low109 Ų10954.1 Ų54.171%0.70829%0.286SS*.SBendtrans-81.589.2-163.231.4-34.8000110.8M661M661-P663 VanDerWaalsContact O-CD 3.31Å; M661-P663 WeakPolarHBondContact O-CD 3.09Å; M661-P663 VanDerWaalsContact O-N 3.16Å
664D42.2Very low56.5Low130 Ų13052.6 Ų52.670%0.69528%0.279SS*.  trans-157.9143.4156.9-99.5-37.5000111.5M630 I662M630-D664 WeakPolarHBondContact CE-O 3.08Å; I662-D664 PolarHBondContact O-N 3.25Å
665N51.4Low57.8Low90 Ų9053.6 Ų53.648%0.48129%0.285SS..  trans76.8100.9178.9-44.3-73000117.1N627N627-N665 PolarHBondContact ND2-ND2 2.88Å; N627-N665 PolarHBondContact ND2-OD1 2.89Å
666T59.2Low59.3Low78 Ų7857.1 Ų57.148%0.47931%0.311SS..  trans-71.3147.1150.741.30000110.3N668T666-N668 WeakPolarHBondContact CB-OD1 3.33Å; T666-N668 PolarHBondContact O-N 2.96Å; T666-N668 PolarHBondContact O-ND2 2.91Å; T666-N668 PolarHBondContact OG1-ND2 2.95Å; T666-N668 PolarHBondContact OG1-OD1 3.47Å
667M68.1Low60.9Low8 Ų851.8 Ų51.84%0.03929%0.288CS..EExtended strand (participates in β ladder)trans-8198-177.6-71.6-168.1-176.800110.4W681 L725 F727 Y781 I796M667-W681 HydrophobicContact CB-CH2 4.19Å; M667-L725 HydrophobicContact CB-CB 4.05Å; M667-L725 PolarHBondContact N-O 2.96Å; M667-L725 PolarHBondContact O-N 2.91Å; M667-L725 HydrophobicContact SD-CD2 4.1Å; M667-F727 HydrophobicContact CE-CE2 3.73Å; M667-F727 HydrophobicContact CE-CZ 4.03Å; M667-F727 HydrophobicContact CG-CE2 4.17Å; M667-F727 HydrophobicContact SD-CE2 3.7Å; M667-F727 HydrophobicContact SD-CZ 4.02Å; M667-Y781 HydrophobicContact CE-CD2 3.82Å; M667-Y781 HydrophobicContact CE-CE2 3.95Å; M667-Y781 HydrophobicContact CE-CG 4.38Å; M667-Y781 HydrophobicContact SD-CD1 4.3Å; M667-Y781 HydrophobicContact SD-CD2 3.95Å; M667-Y781 HydrophobicContact SD-CE2 4.43Å; M667-Y781 HydrophobicContact SD-CG 3.88Å; M667-I796 HydrophobicContact CB-CD1 3.55Å; M667-I796 HydrophobicContact CE-CG2 3.74Å; M667-I796 HydrophobicContact CG-CD1 3.56Å; M667-I796 HydrophobicContact CG-CG2 4.36Å; M667-I796 HydrophobicContact SD-CB 4.48Å; M667-I796 HydrophobicContact SD-CD1 3.63Å; M667-I796 HydrophobicContact SD-CG2 3.99Å
668N77.6Confident62.6Low47 Ų4754 Ų5425%0.25130%0.302SS..EExtended strand (participates in β ladder)trans-120.4130.7-170.8-53.1-29.9000111.8P626 T666 L722 T723 T724P626-N668 WeakPolarHBondContact CB-O 3.43Å; T666-N668 WeakPolarHBondContact CB-OD1 3.33Å; T666-N668 PolarHBondContact O-N 2.96Å; T666-N668 PolarHBondContact O-ND2 2.91Å; T666-N668 PolarHBondContact OG1-ND2 2.95Å; T666-N668 PolarHBondContact OG1-OD1 3.47Å; N668-L722 HydrophobicContact CB-CD1 4.26Å; N668-T723 WeakPolarHBondContact CA-O 3.05Å; N668-T724 HydrophobicContact CB-CG2 4.21Å; N668-T724 WeakPolarHBondContact OD1-CB 3.48Å; N668-T724 WeakPolarHBondContact OD1-CG2 3.1Å
669C78.3Confident64.4Low0 Ų051.7 Ų51.70%029%0.288CS..EExtended strand (participates in β ladder)trans-115.5144.6166-61.50000109.5L622 F671 W681 T723 C783L622-C669 HydrophobicContact CD1-CB 4.08Å; C669-F671 HydrophobicContact CB-CE2 4.12Å; C669-W681 HydrophobicContact CB-CZ2 4.32Å; C669-T723 HydrophobicContact CB-CG2 3.79Å; C669-T723 PolarHBondContact N-O 3.37Å; C669-T723 PolarHBondContact O-N 2.84Å; C669-C783 HydrophobicContact CB-CB 3.77Å; C669-C783 WeakPolarHBondContact CB-SG 3.49Å; C669-C783 WeakPolarHBondContact SG-CB 3.29Å; C669-C783 CovalentContact SG-SG 2.03Å; C669-C783 PolarHBondContact SG-SG 2.74Å
670T80.6Confident66.1Low5 Ų553.9 Ų53.93%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-129.5129.2178-37.40000110.1I623 N624 E720 I721 L722I623-T670 WeakPolarHBondContact CB-O 3.45Å; I623-T670 HydrophobicContact CD1-CG2 3.89Å; I623-T670 PolarHBondContact N-O 3.36Å; N624-T670 WeakPolarHBondContact CB-OG1 3.34Å; N624-T670 PolarHBondContact N-O 3.05Å; N624-T670 PolarHBondContact ND2-OG1 2.73Å; N624-T670 PolarHBondContact O-N 3.46Å; T670-E720 HydrophobicContact CG2-CG 4.05Å; T670-I721 CarbonylContact C-O 2.97Å; T670-I721 WeakPolarHBondContact CA-O 3.14Å; T670-I721 WeakPolarHBondContact CG2-O 3.4Å; T670-L722 HydrophobicContact CG2-CB 4.35Å; T670-L722 HydrophobicContact CG2-CD1 4.24Å; T670-L722 VanDerWaalsContact OG1-CD1 3.26Å; T670-L722 WeakPolarHBondContact OG1-CD1 3.24Å
671F77.9Confident67.9Low0 Ų048.7 Ų48.70%027%0.272CS..EExtended strand (participates in β ladder)trans-119.8143.2-179.1-61.7-92.7000110.9V621 L622 C669 E720 I721 T723 E792V621-F671 CarbonylContact O-C 3.56Å; V621-F671 VanDerWaalsContact O-CA 3.32Å; V621-F671 WeakPolarHBondContact O-CA 3.31Å; L622-F671 HydrophobicContact CB-CD1 4.02Å; L622-F671 HydrophobicContact CB-CE1 4Å; L622-F671 HydrophobicContact CD1-CD1 3.82Å; L622-F671 HydrophobicContact CD1-CD2 4.33Å; L622-F671 HydrophobicContact CD1-CE1 3.55Å; L622-F671 HydrophobicContact CD1-CE2 4.08Å; L622-F671 HydrophobicContact CD1-CG 4.22Å; L622-F671 HydrophobicContact CD1-CZ 3.69Å; L622-F671 HydrophobicContact CG-CE1 4.35Å; C669-F671 HydrophobicContact CB-CE2 4.12Å; F671-E720 CarbonylContact O-C 3.56Å; F671-E720 WeakPolarHBondContact O-CA 3.13Å; F671-I721 HydrophobicContact CB-CB 4.38Å; F671-I721 HydrophobicContact CB-CD1 3.95Å; F671-I721 HydrophobicContact CB-CG1 4.3Å; F671-I721 PolarHBondContact N-O 2.8Å; F671-I721 PolarHBondContact O-N 2.73Å; F671-T723 HydrophobicContact CE2-CG2 4.15Å; F671-E792 HydrophobicContact CD1-CB 4.35Å; F671-E792 HydrophobicContact CE1-CB 3.98Å
672I77.5Confident69.6Low11 Ų1147.9 Ų47.96%0.05627%0.269CS..EExtended strand (participates in β ladder)trans-109142167.7-107163.9000109.6V590 F591 P620 V621 I623 W719 E720V590-I672 HydrophobicContact CG1-CG2 3.85Å; F591-I672 HydrophobicContact CE1-CD1 4.12Å; F591-I672 HydrophobicContact CE1-CG2 4.08Å; F591-I672 HydrophobicContact CZ-CB 4.49Å; F591-I672 HydrophobicContact CZ-CG2 3.97Å; P620-I672 CarbonylContact C-O 3.44Å; P620-I672 WeakPolarHBondContact CA-O 2.83Å; V621-I672 PolarHBondContact N-O 3.01Å; V621-I672 PolarHBondContact O-N 2.61Å; I623-I672 HydrophobicContact CD1-CB 3.79Å; I623-I672 HydrophobicContact CD1-CD1 3.67Å; I623-I672 HydrophobicContact CD1-CG1 3.62Å; I623-I672 HydrophobicContact CG1-CB 4Å; I623-I672 HydrophobicContact CG1-CD1 4.36Å; I623-I672 HydrophobicContact CG1-CG1 4.34Å; I672-W719 CarbonylContact C-O 3.39Å; I672-W719 VanDerWaalsContact CA-O 3.32Å; I672-W719 WeakPolarHBondContact CA-O 3.25Å; I672-E720 HydrophobicContact CG1-CB 4.47Å
673S76.4Confident71.1Confident0 Ų046.3 Ų46.30%026%0.26CS..EExtended strand (participates in β ladder)trans-149139.7176.7177.10000111.3L675 W719 N787S673-L675 VanDerWaalsContact C-N 3.33Å; S673-L675 WeakPolarHBondContact CB-O 3.47Å; S673-L675 PolarHBondContact OG-N 2.96Å; S673-L675 PolarHBondContact OG-O 3.11Å; S673-W719 PolarHBondContact N-O 2.94Å; S673-W719 WeakPolarHBondContact O-CB 2.89Å; S673-W719 PolarHBondContact O-N 3.34Å; S673-N787 PolarHBondContact OG-ND2 3.02Å
674S71.9Confident72.4Confident19 Ų1945.2 Ų45.213%0.13325%0.245CC..SBendtrans-79.6-17.9172.5710000113.5S618S618-S674 PolarHBondContact N-OG 3.16Å; S618-S674 PolarHBondContact O-OG 2.9Å
675L75.2Confident73.6Confident58 Ų5839.2 Ų39.230%0.30421%0.213SC..SBendtrans-116.3165.8179.3-56.6175.7000110.3S673 P677 W719 M789S673-L675 VanDerWaalsContact C-N 3.33Å; S673-L675 WeakPolarHBondContact CB-O 3.47Å; S673-L675 PolarHBondContact OG-N 2.96Å; S673-L675 PolarHBondContact OG-O 3.11Å; L675-P677 WeakPolarHBondContact O-CD 3.42Å; L675-W719 VanDerWaalsContact O-CD1 3.28Å; L675-M789 HydrophobicContact CD1-CE 4.39Å; L675-M789 HydrophobicContact CD1-CG 3.84Å
676S76.5Confident74.1Confident89 Ų8937.7 Ų37.762%0.62220%0.201SC*.  trans-66124.7176.749.90000112
677P75.2Confident74.2Confident23 Ų2335.7 Ų35.715%0.14919%0.186CC..  trans-110163.1-178.139.3-31.4000114.8L675 I721 S786 N787L675-P677 WeakPolarHBondContact O-CD 3.42Å; P677-I721 HydrophobicContact CB-CD1 3.81Å; P677-I721 HydrophobicContact CG-CD1 3.26Å; P677-I721 HydrophobicContact CG-CG1 3.8Å; P677-S786 CarbonylContact C-O 3.24Å; P677-S786 WeakPolarHBondContact CA-O 3.5Å; P677-S786 WeakPolarHBondContact CB-O 2.98Å; P677-N787 HydrophobicContact CB-CB 4.37Å
678D79Confident73.4Confident84 Ų8436 Ų3645%0.44919%0.188SC..EExtended strand (participates in β ladder)trans-109.8160.9166-17636000111.1Q680 S785 S786D678-Q680 PolarHBondContact OD2-NE2 3.41Å; D678-S785 CarbonylContact O-C 3.49Å; D678-S785 WeakPolarHBondContact O-CA 3.4Å; D678-S785 WeakPolarHBondContact O-CB 3.4Å; D678-S785 PolarHBondContact O-OG 3.2Å; D678-S786 PolarHBondContact N-O 2.8Å; D678-S786 PolarHBondContact O-N 2.65Å
679V78.9Confident72.2Confident12 Ų1233.8 Ų33.87%0.07318%0.176CC..EExtended strand (participates in β ladder)trans-146.8135.5-174.3-179.50000113.4I721 T723 E784V679-I721 HydrophobicContact CG2-CD1 3.42Å; V679-I721 VanDerWaalsContact CG2-CD1 3.42Å; V679-I721 HydrophobicContact CG2-CG2 3.9Å; V679-T723 HydrophobicContact CG1-CG2 3.83Å; V679-E784 CarbonylContact C-O 3.49Å; V679-E784 VanDerWaalsContact CA-O 3.31Å; V679-E784 WeakPolarHBondContact CA-O 3.33Å
680Q78.6Confident70.8Confident88 Ų8834.2 Ų34.241%0.41118%0.178SC..EExtended strand (participates in β ladder)trans-139.2162.4178.8-53.3-169.130.600112.5D678 E784D678-Q680 PolarHBondContact OD2-NE2 3.41Å; Q680-E784 PolarHBondContact N-O 2.72Å; Q680-E784 PolarHBondContact O-N 3Å
681W78.1Confident69.3Low17 Ų1734 Ų346%0.06418%0.177CC..EExtended strand (participates in β ladder)trans-131.2146.9173.2-79.477.9000111.5M667 C669 T707 T723 L725 L782 C783 I796M667-W681 HydrophobicContact CB-CH2 4.19Å; C669-W681 HydrophobicContact CB-CZ2 4.32Å; W681-T707 HydrophobicContact CB-CG2 3.98Å; W681-T707 HydrophobicContact CG-CG2 3.71Å; W681-T723 HydrophobicContact CZ2-CG2 4.18Å; W681-T723 PolarHBondContact NE1-OG1 2.93Å; W681-L725 HydrophobicContact CD2-CB 4.47Å; W681-L725 HydrophobicContact CE3-CB 4.49Å; W681-L725 HydrophobicContact CE3-CD2 4.33Å; W681-L725 HydrophobicContact CH2-CB 4.27Å; W681-L725 HydrophobicContact CZ2-CB 4.23Å; W681-L725 HydrophobicContact CZ3-CB 4.4Å; W681-L725 HydrophobicContact CZ3-CD2 4.44Å; W681-L782 CarbonylContact C-O 3.4Å; W681-L782 VanDerWaalsContact CA-O 3.24Å; W681-L782 WeakPolarHBondContact CA-O 3.29Å; W681-L782 VanDerWaalsContact CE3-O 3.27Å; W681-C783 HydrophobicContact CD2-CB 3.67Å; W681-C783 HydrophobicContact CE3-CB 3.88Å; W681-C783 HydrophobicContact CG-CB 4.3Å; W681-C783 HydrophobicContact CH2-CB 3.92Å; W681-C783 HydrophobicContact CZ2-CB 3.71Å; W681-C783 HydrophobicContact CZ3-CB 4Å; W681-I796 HydrophobicContact CH2-CD1 3.95Å; W681-I796 HydrophobicContact CZ3-CD1 3.86Å
682L75.8Confident67.8Low57 Ų5734 Ų3430%0.29818%0.177SC..EExtended strand (participates in β ladder)trans-132161.2179.4-55.5174.9000110.6L782L682-L782 HydrophobicContact CB-CB 4.33Å; L682-L782 HydrophobicContact CD1-CD2 4.14Å; L682-L782 PolarHBondContact N-O 3.32Å; L682-L782 PolarHBondContact O-N 3.08Å
683F74.7Confident66.5Low48 Ų4834 Ų3421%0.21118%0.177CC..EExtended strand (participates in β ladder)trans-139.2147.2178.6169.2-106.9000111.1M698 L703 N780 Y781F683-M698 HydrophobicContact CB-CE 4.48Å; F683-M698 HydrophobicContact CD1-CE 3.55Å; F683-M698 HydrophobicContact CD2-CE 4.03Å; F683-M698 HydrophobicContact CE1-CE 3.62Å; F683-M698 HydrophobicContact CE2-CE 4.1Å; F683-M698 HydrophobicContact CG-CE 3.75Å; F683-M698 HydrophobicContact CZ-CE 3.89Å; F683-L703 HydrophobicContact CB-CD1 4.05Å; F683-N780 CarbonylContact C-O 3.53Å; F683-N780 WeakPolarHBondContact CA-O 3.43Å; F683-N780 WeakPolarHBondContact CD2-O 3.45Å; F683-Y781 HydrophobicContact CB-CD1 4.15Å; F683-Y781 HydrophobicContact CB-CE1 4.3Å; F683-Y781 AromaticContact CD2-CD1 3.61Å; F683-Y781 HydrophobicContact CD2-CD1 3.61Å; F683-Y781 AromaticContact CD2-CD2 3.82Å; F683-Y781 HydrophobicContact CD2-CD2 3.82Å; F683-Y781 AromaticContact CD2-CE1 3.38Å; F683-Y781 HydrophobicContact CD2-CE1 3.38Å; F683-Y781 AromaticContact CD2-CE2 3.6Å; F683-Y781 HydrophobicContact CD2-CE2 3.6Å; F683-Y781 AromaticContact CD2-CG 3.82Å; F683-Y781 HydrophobicContact CD2-CG 3.82Å; F683-Y781 AromaticContact CD2-CZ 3.37Å; F683-Y781 HydrophobicContact CE2-CD1 4.46Å; F683-Y781 HydrophobicContact CE2-CD2 4.08Å; F683-Y781 AromaticContact CE2-CE1 3.93Å; F683-Y781 HydrophobicContact CE2-CE1 3.93Å; F683-Y781 AromaticContact CE2-CE2 3.49Å; F683-Y781 HydrophobicContact CE2-CE2 3.49Å; F683-Y781 VanDerWaalsContact CE2-CE2 3.49Å; F683-Y781 AromaticContact CE2-CZ 3.4Å; F683-Y781 VanDerWaalsContact CE2-CZ 3.4Å; F683-Y781 HydrophobicContact CG-CD1 4.25Å; F683-Y781 HydrophobicContact CG-CE1 4.04Å
684H68.6Low65.2Low86 Ų8639.1 Ų39.140%0.39820%0.201SC..EExtended strand (participates in β ladder)trans-147.4112.5178.8-177.3104.1000109.8I211 K214 N780I211-H684 VanDerWaalsContact CD1-NE2 3.34Å; I211-H684 WeakPolarHBondContact CD1-NE2 3.21Å; K214-H684 PolarHBondContact NZ-CD2 3.47Å; K214-H684 PolarHBondContact NZ-CE1 3.09Å; K214-H684 PolarHBondContact NZ-NE2 3.33Å; H684-N780 HydrophobicContact CB-CB 4.49Å; H684-N780 PolarHBondContact N-O 3.19Å; H684-N780 WeakPolarHBondContact O-CA 3.29Å; H684-N780 WeakPolarHBondContact O-CB 3.37Å; H684-N780 PolarHBondContact O-N 2.8Å
685S66.3Low64.2Low4 Ų438.4 Ų38.43%0.02820%0.196CC..EExtended strand (participates in β ladder)trans-59.4162.3-176.5-177.90000113.6K214 H687 E778K214-S685 WeakPolarHBondContact CE-O 3.23Å; K214-S685 PolarHBondContact NZ-O 3.21Å; S685-H687 VanDerWaalsContact C-N 3.32Å; S685-H687 PolarHBondContact OG-N 3.44Å; S685-H687 PolarHBondContact OG-O 3.4Å; S685-E778 PolarHBondContact OG-O 3.22Å
686Y62.9Low63.1Low58 Ų5835.9 Ų35.923%0.22718%0.183CC..SBendtrans-885.3163.4-83.2-45.4000113.9K214 E778 N780 N797K214-Y686 WeakPolarHBondContact CG-O 3.3Å; Y686-E778 WeakPolarHBondContact CB-O 3.47Å; Y686-E778 HydrophobicContact CD2-CG 3.98Å; Y686-E778 PolarHBondContact N-O 3.05Å; Y686-N780 WeakPolarHBondContact CE1-OD1 3.34Å; Y686-N780 PolarHBondContact OH-OD1 3.33Å; Y686-N797 HydrophobicContact CE2-CB 3.95Å; Y686-N797 WeakPolarHBondContact OH-CB 3.42Å; Y686-N797 PolarHBondContact OH-OD1 3.35Å
687H60.2Low62.1Low36 Ų3633.6 Ų33.617%0.16717%0.166CC..  trans-125.8118.1175.4-58.9-64.1000108.1S685 L689 N693 L775S685-H687 VanDerWaalsContact C-N 3.32Å; S685-H687 PolarHBondContact OG-N 3.44Å; S685-H687 PolarHBondContact OG-O 3.4Å; H687-L689 HydrophobicContact CB-CD1 3.4Å; H687-L689 VanDerWaalsContact CB-CD1 3.4Å; H687-L689 HydrophobicContact CB-CD2 4.12Å; H687-L689 HydrophobicContact CB-CG 3.57Å; H687-L689 PolarHBondContact O-N 2.84Å; H687-L689 VanDerWaalsContact O-N 3.17Å; H687-N693 PolarHBondContact O-ND2 3.08Å; H687-L775 HydrophobicContact CB-CD2 3.95Å; H687-L775 WeakPolarHBondContact CD2-CD2 3.41Å
688N52Low61.2Low13 Ų1333.4 Ų33.47%0.0716%0.164CC..  trans-98.951.5-165.2-137.22.7000108.1I211 K214 L215 Y216 N690I211-N688 PolarHBondContact N-ND2 2.94Å; K214-N688 HydrophobicContact CB-CB 3.73Å; K214-N688 HydrophobicContact CD-CB 3.54Å; K214-N688 VanDerWaalsContact CD-CG 3.47Å; K214-N688 WeakPolarHBondContact CD-ND2 3.29Å; K214-N688 VanDerWaalsContact CE-N 3.33Å; K214-N688 VanDerWaalsContact CE-OD1 3.28Å; K214-N688 WeakPolarHBondContact CE-OD1 3.2Å; K214-N688 HydrophobicContact CG-CB 3.62Å; K214-N688 PolarHBondContact NZ-OD1 3.05Å; L215-N688 CarbonylContact C-O 3.52Å; L215-N688 CarbonylContact O-C 2.83Å; L215-N688 WeakPolarHBondContact O-CA 3.28Å; L215-N688 PolarHBondContact O-N 3.31Å; Y216-N688 WeakPolarHBondContact CA-O 3.39Å; Y216-N688 HydrophobicContact CD2-CB 3.81Å; Y216-N688 WeakPolarHBondContact CD2-O 3.37Å; Y216-N688 HydrophobicContact CE2-CB 3.28Å; Y216-N688 VanDerWaalsContact CE2-CG 3.44Å; Y216-N688 VanDerWaalsContact CE2-ND2 3.3Å; Y216-N688 WeakPolarHBondContact CE2-ND2 3.36Å; Y216-N688 PolarHBondContact OH-ND2 3.2Å; N688-N690 VanDerWaalsContact C-N 3.29Å; N688-N690 PolarHBondContact O-N 2.99Å; N688-N690 PolarHBondContact O-OD1 2.73Å
689L51.2Low60.1Low1 Ų133.9 Ų33.91%0.00517%0.167CC..  trans-72.475.5-147.6-70.7136.8000110.6D189 T190 L215 Y217 H687 D691 L692 L775D189-L689 VanDerWaalsContact C-C 3.49Å; D189-L689 CarbonylContact C-O 3.52Å; D189-L689 VanDerWaalsContact CA-O 3.27Å; D189-L689 WeakPolarHBondContact CA-O 2.98Å; D189-L689 CarbonylContact O-C 3.5Å; T190-L689 PolarHBondContact N-O 2.78Å; L215-L689 HydrophobicContact CD2-CD2 3.72Å; L215-L689 HydrophobicContact CD2-CG 4.46Å; L215-L689 WeakPolarHBondContact O-CA 2.92Å; L215-L689 PolarHBondContact O-N 2.78Å; L215-L689 VanDerWaalsContact O-N 3.08Å; Y217-L689 HydrophobicContact CD2-CB 4.11Å; Y217-L689 HydrophobicContact CD2-CD2 4.49Å; Y217-L689 HydrophobicContact CE2-CB 3.93Å; Y217-L689 HydrophobicContact CE2-CD2 3.71Å; Y217-L689 HydrophobicContact CE2-CG 4.45Å; H687-L689 HydrophobicContact CB-CD1 3.4Å; H687-L689 VanDerWaalsContact CB-CD1 3.4Å; H687-L689 HydrophobicContact CB-CD2 4.12Å; H687-L689 HydrophobicContact CB-CG 3.57Å; H687-L689 PolarHBondContact O-N 2.84Å; H687-L689 VanDerWaalsContact O-N 3.17Å; L689-D691 CarbonylContact O-C 3.52Å; L689-D691 WeakPolarHBondContact O-CA 3.23Å; L689-D691 PolarHBondContact O-N 2.88Å; L689-L692 HydrophobicContact CB-CB 3.62Å; L689-L692 HydrophobicContact CD1-CB 4.1Å; L689-L692 HydrophobicContact CD2-CB 4.05Å; L689-L692 HydrophobicContact CD2-CD1 4.18Å; L689-L692 HydrophobicContact CG-CB 4.14Å; L689-L692 PolarHBondContact O-N 3.17Å; L689-L775 HydrophobicContact CD1-CB 4.49Å; L689-L775 HydrophobicContact CD1-CD1 3.95Å; L689-L775 HydrophobicContact CD1-CD2 4.27Å; L689-L775 HydrophobicContact CD1-CG 4.49Å; L689-L775 HydrophobicContact CD2-CD1 3.74Å; L689-L775 HydrophobicContact CD2-CD2 4.2Å
690N50Low59.2Low9 Ų942 Ų425%0.04820%0.196CC..THydrogen-bonded Turntrans-58.817.7-172.1-7439.5000120.3I187 D188 D189 Y216 Y217 N688I187-N690 HydrophobicContact CB-CB 4.39Å; I187-N690 HydrophobicContact CG2-CB 3.62Å; I187-N690 PolarHBondContact O-ND2 2.83Å; D188-N690 VanDerWaalsContact C-CA 3.48Å; D188-N690 VanDerWaalsContact C-CG 3.5Å; D188-N690 VanDerWaalsContact CA-ND2 3.26Å; D188-N690 WeakPolarHBondContact CA-ND2 3.38Å; D188-N690 PolarHBondContact N-ND2 2.91Å; D188-N690 VanDerWaalsContact N-ND2 3.19Å; D188-N690 PolarHBondContact N-O 3.36Å; D188-N690 CarbonylContact O-C 3.51Å; D188-N690 WeakPolarHBondContact O-CA 2.93Å; D189-N690 WeakPolarHBondContact CA-OD1 2.99Å; D189-N690 WeakPolarHBondContact CB-OD1 3.19Å; D189-N690 PolarHBondContact N-OD1 2.95Å; Y216-N690 HydrophobicContact CD1-CB 3.37Å; Y216-N690 HydrophobicContact CE1-CB 3.86Å; Y216-N690 WeakPolarHBondContact CE1-ND2 3.46Å; Y216-N690 WeakPolarHBondContact CE1-OD1 3.36Å; Y216-N690 HydrophobicContact CG-CB 4.01Å; Y217-N690 VanDerWaalsContact CB-C 3.49Å; Y217-N690 VanDerWaalsContact N-CA 3.3Å; Y217-N690 CarbonylContact O-C 3.54Å; Y217-N690 VanDerWaalsContact O-C 3.3Å; Y217-N690 WeakPolarHBondContact O-CA 3.37Å; Y217-N690 WeakPolarHBondContact O-CB 3.23Å; N688-N690 VanDerWaalsContact C-N 3.29Å; N688-N690 PolarHBondContact O-N 2.99Å; N688-N690 PolarHBondContact O-OD1 2.73Å
691D47.8Very low58.5Low0 Ų040.4 Ų40.40%019%0.194CC..THydrogen-bonded Turn-151.776.3129.8-77.6-75.7000114R186 T190 M191 P192 Y217 S219 T267 L689R186-D691 WeakPolarHBondContact CD-OD1 3.08Å; R186-D691 IonicContact CZ-OD1 2.77Å; R186-D691 IonicContact NE-OD1 2.78Å; R186-D691 IonicContact NH1-OD1 2.69Å; R186-D691 PolarHBondContact NH1-OD1 3.13Å; T190-D691 CarbonylContact O-C 3.57Å; T190-D691 WeakPolarHBondContact O-CA 3.39Å; T190-D691 WeakPolarHBondContact O-CB 3.2Å; M191-D691 VanDerWaalsContact CA-O 3.25Å; M191-D691 WeakPolarHBondContact CA-O 3.36Å; M191-D691 WeakPolarHBondContact CG-O 3.35Å; M191-D691 VanDerWaalsContact N-C 3.3Å; P192-D691 HydrophobicContact CG-CB 4.03Å; Y217-D691 HydrophobicContact CD1-CB 3.97Å; Y217-D691 HydrophobicContact CD2-CB 4.25Å; Y217-D691 WeakPolarHBondContact CD2-O 3.44Å; Y217-D691 WeakPolarHBondContact CE1-O 3.4Å; Y217-D691 WeakPolarHBondContact CE2-O 3.41Å; Y217-D691 HydrophobicContact CG-CB 3.73Å; S219-D691 WeakPolarHBondContact CB-OD2 2.98Å; S219-D691 PolarHBondContact OG-OD2 3.35Å; T267-D691 HydrophobicContact CG2-CB 3.82Å; T267-D691 WeakPolarHBondContact CG2-OD2 3.35Å; L689-D691 CarbonylContact O-C 3.52Å; L689-D691 WeakPolarHBondContact O-CA 3.23Å; L689-D691 PolarHBondContact O-N 2.88Å
692L48.2Very low57.8Low0 Ų040.7 Ų40.70%020%0.197CC..SBendtrans-143.1-50.2159.2-123.3-173.8000118.3D189 T190 M191 Y217 Y253 L689 L696 F771 L775D189-L692 CarbonylContact O-C 2.71Å; D189-L692 PolarHBondContact O-N 2.7Å; T190-L692 VanDerWaalsContact C-CA 3.47Å; T190-L692 VanDerWaalsContact N-N 3.14Å; M191-L692 HydrophobicContact CB-CD2 3.88Å; M191-L692 HydrophobicContact CB-CG 4.33Å; M191-L692 HydrophobicContact CG-CB 4.46Å; M191-L692 HydrophobicContact CG-CD2 3.55Å; M191-L692 HydrophobicContact CG-CG 3.79Å; M191-L692 PolarHBondContact N-O 2.95Å; M191-L692 HydrophobicContact SD-CD2 3.52Å; M191-L692 VanDerWaalsContact SD-CD2 3.52Å; M191-L692 HydrophobicContact SD-CG 4.21Å; Y217-L692 HydrophobicContact CE2-CB 3.74Å; Y217-L692 HydrophobicContact CE2-CD1 4.36Å; Y217-L692 HydrophobicContact CE2-CG 4.13Å; Y217-L692 WeakPolarHBondContact OH-CD1 3.28Å; Y217-L692 WeakPolarHBondContact OH-CG 3.33Å; Y253-L692 HydrophobicContact CE1-CD2 4.43Å; L689-L692 HydrophobicContact CB-CB 3.62Å; L689-L692 HydrophobicContact CD1-CB 4.1Å; L689-L692 HydrophobicContact CD2-CB 4.05Å; L689-L692 HydrophobicContact CD2-CD1 4.18Å; L689-L692 HydrophobicContact CG-CB 4.14Å; L689-L692 PolarHBondContact O-N 3.17Å; L692-L696 HydrophobicContact CD1-CD1 4.22Å; L692-L696 HydrophobicContact CD2-CD1 3.65Å; L692-L696 HydrophobicContact CD2-CG 3.82Å; L692-L696 HydrophobicContact CG-CD1 4.4Å; L692-F771 HydrophobicContact CD1-CE1 4.49Å; L692-L775 HydrophobicContact CD1-CD1 3.3Å
693N49.7Very low57.3Low11 Ų1138.1 Ų38.16%0.05918%0.184CC..Hα-helixtrans-38.4-84.1-179.5-67.3-84.3000118.3D189 T190 H687 I695 L696 S697D189-N693 WeakPolarHBondContact O-CA 3.21Å; D189-N693 WeakPolarHBondContact O-CB 3.44Å; D189-N693 VanDerWaalsContact O-CG 3.3Å; D189-N693 PolarHBondContact O-N 3.14Å; D189-N693 PolarHBondContact O-ND2 2.85Å; D189-N693 WeakPolarHBondContact OD1-CB 3.24Å; D189-N693 PolarHBondContact OD2-ND2 2.85Å; T190-N693 VanDerWaalsContact CA-N 3.26Å; H687-N693 PolarHBondContact O-ND2 3.08Å; N693-I695 CarbonylContact O-C 3.46Å; N693-I695 WeakPolarHBondContact O-CA 3.38Å; N693-I695 PolarHBondContact O-N 3.34Å; N693-L696 CarbonylContact O-C 2.95Å; N693-L696 WeakPolarHBondContact O-CA 3.46Å; N693-L696 WeakPolarHBondContact O-CB 3.13Å; N693-L696 PolarHBondContact O-N 3.44Å; N693-S697 PolarHBondContact O-N 2.74Å
694Q49Very low56.7Low108 Ų10842.9 Ų42.951%0.50520%0.204SC..Hα-helixtrans-53.1-7-162.2-48.1145.333.800119.2D188 T190 S697D188-Q694 PolarHBondContact OD1-NE2 2.97Å; D188-Q694 VanDerWaalsContact OD1-NE2 3.1Å; D188-Q694 PolarHBondContact OD2-NE2 2.69Å; T190-Q694 HydrophobicContact CG2-CB 3.37Å; T190-Q694 HydrophobicContact CG2-CG 3.8Å; T190-Q694 VanDerWaalsContact CG2-N 3.33Å; T190-Q694 WeakPolarHBondContact OG1-CG 3.43Å; T190-Q694 PolarHBondContact OG1-N 2.92Å; T190-Q694 PolarHBondContact OG1-NE2 2.79Å; Q694-S697 WeakPolarHBondContact CA-OG 3.45Å
695I49.7Very low56.8Low5 Ų545.8 Ų45.83%0.02622%0.218CC..Hα-helixtrans-64.3-68.2149.1-57-166.3000111.8M191 N693 K742 I743 K746M191-I695 HydrophobicContact CB-CD1 3.35Å; M191-I695 HydrophobicContact CB-CG1 3.76Å; M191-I695 HydrophobicContact CE-CD1 3.76Å; M191-I695 HydrophobicContact CG-CD1 4.24Å; M191-I695 HydrophobicContact SD-CD1 3.92Å; N693-I695 CarbonylContact O-C 3.46Å; N693-I695 WeakPolarHBondContact O-CA 3.38Å; N693-I695 PolarHBondContact O-N 3.34Å; I695-K742 HydrophobicContact CG2-CB 4.08Å; I695-K742 HydrophobicContact CG2-CD 4.39Å; I695-K742 PolarHBondContact O-NZ 3.12Å; I695-I743 HydrophobicContact CG2-CD1 4.47Å; I695-I743 HydrophobicContact CG2-CG1 3.73Å; I695-K746 HydrophobicContact CD1-CD 3.5Å; I695-K746 VanDerWaalsContact CD1-CD 3.5Å; I695-K746 VanDerWaalsContact CD1-CE 3.43Å; I695-K746 HydrophobicContact CD1-CG 4.06Å; I695-K746 HydrophobicContact CG1-CD 3.82Å; I695-K746 VanDerWaalsContact CG1-NZ 3.29Å
696L52.4Low57Low5 Ų545.9 Ų45.93%0.02622%0.218CC..Hα-helixtrans-65.9-7.9172.1-55.6-167.8000117.5L692 N693 M698 Y735 I743 L772 L775 Q776L692-L696 HydrophobicContact CD1-CD1 4.22Å; L692-L696 HydrophobicContact CD2-CD1 3.65Å; L692-L696 HydrophobicContact CD2-CG 3.82Å; L692-L696 HydrophobicContact CG-CD1 4.4Å; N693-L696 CarbonylContact O-C 2.95Å; N693-L696 WeakPolarHBondContact O-CA 3.46Å; N693-L696 WeakPolarHBondContact O-CB 3.13Å; N693-L696 PolarHBondContact O-N 3.44Å; L696-M698 PolarHBondContact O-N 2.75Å; L696-Y735 PolarHBondContact O-OH 2.67Å; L696-I743 HydrophobicContact CD2-CD1 3.98Å; L696-L772 HydrophobicContact CD1-CD2 4.47Å; L696-L772 HydrophobicContact CD2-CD2 4.42Å; L696-L775 HydrophobicContact CD1-CB 4.41Å; L696-Q776 HydrophobicContact CB-CG 4.23Å; L696-Q776 HydrophobicContact CD1-CG 4.12Å; L696-Q776 HydrophobicContact CD2-CG 4.13Å; L696-Q776 HydrophobicContact CG-CG 4.41Å
697S56.1Low57.6Low40 Ų4044.5 Ų44.528%0.2822%0.215SC..  trans-70.3132.7-173.777.70000108.5N693 Q694 N699 Y735N693-S697 PolarHBondContact O-N 2.74Å; Q694-S697 WeakPolarHBondContact CA-OG 3.45Å; S697-N699 PolarHBondContact O-N 3.1Å; S697-Y735 VanDerWaalsContact C-OH 3.28Å; S697-Y735 PolarHBondContact O-OH 3.19Å
698M55.2Low58.4Low20 Ų2047 Ų4710%0.09923%0.227CC..  trans-69106.4174.2-77.5-166.7-79.900108.3F683 L696 R700 W706 Y735 Y781F683-M698 HydrophobicContact CB-CE 4.48Å; F683-M698 HydrophobicContact CD1-CE 3.55Å; F683-M698 HydrophobicContact CD2-CE 4.03Å; F683-M698 HydrophobicContact CE1-CE 3.62Å; F683-M698 HydrophobicContact CE2-CE 4.1Å; F683-M698 HydrophobicContact CG-CE 3.75Å; F683-M698 HydrophobicContact CZ-CE 3.89Å; L696-M698 PolarHBondContact O-N 2.75Å; M698-R700 PolarHBondContact O-N 2.87Å; M698-W706 HydrophobicContact SD-CE3 4.49Å; M698-W706 HydrophobicContact SD-CH2 4.15Å; M698-W706 HydrophobicContact SD-CZ3 3.6Å; M698-W706 VanDerWaalsContact SD-CZ3 3.6Å; M698-Y735 HydrophobicContact CG-CE1 4.42Å; M698-Y781 HydrophobicContact CE-CE1 3.87Å
699N57.9Low59.6Low94 Ų9449.8 Ų49.850%0.50324%0.242SC..  trans-53.1133.4170.9-176.8-9.5000108.3S697 S701 I702S697-N699 PolarHBondContact O-N 3.1Å; N699-S701 PolarHBondContact ND2-OG 2.98Å; N699-S701 PolarHBondContact O-N 2.8Å; N699-S701 PolarHBondContact OD1-N 3.31Å; N699-S701 PolarHBondContact OD1-OG 2.95Å; N699-I702 HydrophobicContact CB-CD1 4.13Å; N699-I702 HydrophobicContact CB-CG1 4.36Å; N699-I702 WeakPolarHBondContact O-CB 3.13Å; N699-I702 PolarHBondContact O-N 2.89Å
700R59.3Low60.9Low181 Ų18155.8 Ų55.868%0.68327%0.265SS*.Hα-helixtrans-55.1-21.1-179.5-66.1-174.8179.9-170.4-0.2112.8M698 I702 K704M698-R700 PolarHBondContact O-N 2.87Å; R700-I702 VanDerWaalsContact C-N 3.34Å; R700-K704 PolarHBondContact O-N 2.81Å
701S63Low61.9Low55 Ų5559.2 Ų59.239%0.38528%0.283SS..Hα-helixtrans-63.8-31.9171.166.90000114.3N699 K704 Q705N699-S701 PolarHBondContact ND2-OG 2.98Å; N699-S701 PolarHBondContact O-N 2.8Å; N699-S701 PolarHBondContact OD1-N 3.31Å; N699-S701 PolarHBondContact OD1-OG 2.95Å; S701-K704 PolarHBondContact O-N 2.74Å; S701-Q705 WeakPolarHBondContact O-CG 2.91Å; S701-Q705 PolarHBondContact O-N 2.69Å
702I64.5Low63.1Low23 Ų2363.8 Ų63.812%0.11831%0.306CS..Hα-helixtrans-77-43.1-176.5-59.9167.7000110.2N699 R700 K704 Q705 W706 Y735N699-I702 HydrophobicContact CB-CD1 4.13Å; N699-I702 HydrophobicContact CB-CG1 4.36Å; N699-I702 WeakPolarHBondContact O-CB 3.13Å; N699-I702 PolarHBondContact O-N 2.89Å; R700-I702 VanDerWaalsContact C-N 3.34Å; I702-K704 VanDerWaalsContact C-N 3.25Å; I702-K704 PolarHBondContact O-N 2.94Å; I702-Q705 WeakPolarHBondContact O-CA 3.42Å; I702-Q705 WeakPolarHBondContact O-CB 3.25Å; I702-Q705 PolarHBondContact O-N 3.08Å; I702-W706 HydrophobicContact CG2-CD2 3.99Å; I702-W706 HydrophobicContact CG2-CE3 4.24Å; I702-W706 HydrophobicContact CG2-CH2 4.03Å; I702-W706 HydrophobicContact CG2-CZ2 3.77Å; I702-W706 HydrophobicContact CG2-CZ3 4.27Å; I702-W706 PolarHBondContact O-N 3.34Å; I702-Y735 HydrophobicContact CD1-CD2 3.48Å; I702-Y735 VanDerWaalsContact CD1-CD2 3.48Å; I702-Y735 HydrophobicContact CD1-CE2 3.33Å
703L64.8Low63.9Low4 Ų469.7 Ų69.72%0.02133%0.332CS..Hα-helixtrans-53.4-47.3169-74.3164.1000109.9F683 Q705 W706 T707 L725 Y781F683-L703 HydrophobicContact CB-CD1 4.05Å; L703-Q705 PolarHBondContact O-N 2.65Å; L703-Q705 VanDerWaalsContact O-N 3.15Å; L703-W706 PolarHBondContact O-N 3.37Å; L703-W706 VanDerWaalsContact O-N 3.1Å; L703-T707 VanDerWaalsContact O-CG2 3.29Å; L703-T707 WeakPolarHBondContact O-CG2 3.21Å; L703-T707 PolarHBondContact O-N 3.41Å; L703-T707 PolarHBondContact O-OG1 2.75Å; L703-L725 HydrophobicContact CD2-CD1 3.94Å; L703-L725 HydrophobicContact CD2-CD2 4.19Å; L703-Y781 HydrophobicContact CD2-CD1 4.47Å
704K62.3Low64.5Low148 Ų14870 Ų7064%0.64333%0.334SS*.Hα-helixtrans-62.4-16.4174.8-72.7-169175.4-1640115.6R700 S701 I702 T707R700-K704 PolarHBondContact O-N 2.81Å; S701-K704 PolarHBondContact O-N 2.74Å; I702-K704 VanDerWaalsContact C-N 3.25Å; I702-K704 PolarHBondContact O-N 2.94Å; K704-T707 WeakPolarHBondContact CA-OG1 3.37Å; K704-T707 PolarHBondContact O-OG1 2.69Å
705Q69.7Low64.9Low146 Ų14675 Ų7568%0.68235%0.348SS*.Hα-helixtrans-90-32.7172.6-72.4175.2-60.100112.3S701 I702 L703S701-Q705 WeakPolarHBondContact O-CG 2.91Å; S701-Q705 PolarHBondContact O-N 2.69Å; I702-Q705 WeakPolarHBondContact O-CA 3.42Å; I702-Q705 WeakPolarHBondContact O-CB 3.25Å; I702-Q705 PolarHBondContact O-N 3.08Å; L703-Q705 PolarHBondContact O-N 2.65Å; L703-Q705 VanDerWaalsContact O-N 3.15Å
706W71.8Confident65.2Low7 Ų776.4 Ų76.43%0.02735%0.354CS..Hα-helixtrans-85-15177.8-65-14.1000113.8M698 I702 L703 L725 N726 F727 D731 M732M698-W706 HydrophobicContact SD-CE3 4.49Å; M698-W706 HydrophobicContact SD-CH2 4.15Å; M698-W706 HydrophobicContact SD-CZ3 3.6Å; M698-W706 VanDerWaalsContact SD-CZ3 3.6Å; I702-W706 HydrophobicContact CG2-CD2 3.99Å; I702-W706 HydrophobicContact CG2-CE3 4.24Å; I702-W706 HydrophobicContact CG2-CH2 4.03Å; I702-W706 HydrophobicContact CG2-CZ2 3.77Å; I702-W706 HydrophobicContact CG2-CZ3 4.27Å; I702-W706 PolarHBondContact O-N 3.34Å; L703-W706 PolarHBondContact O-N 3.37Å; L703-W706 VanDerWaalsContact O-N 3.1Å; W706-L725 HydrophobicContact CB-CD1 3.6Å; W706-N726 PolarHBondContact O-N 3.48Å; W706-N726 VanDerWaalsContact O-N 3.08Å; W706-F727 HydrophobicContact CE3-CD1 4.01Å; W706-F727 HydrophobicContact CE3-CE1 4.13Å; W706-F727 HydrophobicContact CH2-CD1 4.43Å; W706-F727 AromaticContact CZ3-CD1 3.74Å; W706-F727 HydrophobicContact CZ3-CD1 3.74Å; W706-F727 AromaticContact CZ3-CE1 3.84Å; W706-F727 HydrophobicContact CZ3-CE1 3.84Å; W706-D731 HydrophobicContact CZ2-CB 4.18Å; W706-M732 HydrophobicContact CH2-CG 4.1Å; W706-M732 HydrophobicContact CZ2-CG 4.19Å
707T74.6Confident65.7Low29 Ų2977.5 Ų77.518%0.17837%0.366CS..EExtended strand (participates in β ladder)trans-80.1121.5173.851.20000112.6W681 L703 K704 T724 L725W681-T707 HydrophobicContact CB-CG2 3.98Å; W681-T707 HydrophobicContact CG-CG2 3.71Å; L703-T707 VanDerWaalsContact O-CG2 3.29Å; L703-T707 WeakPolarHBondContact O-CG2 3.21Å; L703-T707 PolarHBondContact O-N 3.41Å; L703-T707 PolarHBondContact O-OG1 2.75Å; K704-T707 WeakPolarHBondContact CA-OG1 3.37Å; K704-T707 PolarHBondContact O-OG1 2.69Å; T707-T724 CarbonylContact C-O 3.45Å; T707-T724 VanDerWaalsContact CA-O 3.26Å; T707-T724 WeakPolarHBondContact CA-O 3.34Å; T707-L725 HydrophobicContact CG2-CD1 3.99Å
708Q77.3Confident66.4Low87 Ų8776 Ų7641%0.40736%0.355SS..EExtended strand (participates in β ladder)trans-107.8119.9167.4-62.3179.4-21.900109.6Y710 T723 T724Q708-Y710 HydrophobicContact CB-CE2 3.93Å; Q708-T723 WeakPolarHBondContact O-CA 3.34Å; Q708-T724 PolarHBondContact N-O 2.59Å; Q708-T724 PolarHBondContact O-N 2.99Å
709N77.6Confident67.4Low72 Ų7278.6 Ų78.639%0.38536%0.364SS..EExtended strand (participates in β ladder)trans-106.7106.7-179.4-69-8.5000110.1T723N709-T723 VanDerWaalsContact OD1-CB 3.26Å; N709-T723 WeakPolarHBondContact OD1-CB 3.11Å; N709-T723 PolarHBondContact OD1-OG1 2.66Å
710Y77.2Confident68.1Low127 Ų12776 Ų7650%0.49835%0.349SS..EExtended strand (participates in β ladder)trans-95.4107.6172.2-65.4-88.5000109.2Q708 I721 L722Q708-Y710 HydrophobicContact CB-CE2 3.93Å; Y710-I721 CarbonylContact O-C 3.57Å; Y710-I721 WeakPolarHBondContact O-CA 3.24Å; Y710-L722 PolarHBondContact N-O 2.8Å; Y710-L722 PolarHBondContact O-N 2.85Å
711I71.8Confident69Low81 Ų8167.4 Ų67.442%0.41532%0.316SS..EExtended strand (participates in β ladder)trans-105.5110.4177.6-61.6170.8000108.2W719 I721I711-W719 HydrophobicContact CG2-CE3 3.58Å; I711-W719 HydrophobicContact CG2-CZ3 3.92Å; I711-I721 HydrophobicContact CG1-CB 4.43Å; I711-I721 HydrophobicContact CG1-CG1 4.39Å; I711-I721 HydrophobicContact CG1-CG2 3.67Å
712I72.1Confident69.8Low97 Ų9767.8 Ų67.850%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-119.4137.1-176.6-61.4175.5000108.9W719 E720I712-W719 WeakPolarHBondContact O-CA 3.13Å; I712-E720 PolarHBondContact N-O 3.5Å; I712-E720 PolarHBondContact O-N 2.83Å
713K64.9Low70.6Confident123 Ų12366.7 Ų66.754%0.53531%0.308SS..EExtended strand (participates in β ladder)trans-99.1119.3170.5-162.1175.4-174.1179.70109.5G717 L718 W719K713-G717 WeakPolarHBondContact CE-O 3.44Å; K713-L718 CarbonylContact C-O 3.55Å; K713-L718 WeakPolarHBondContact CA-O 3.25Å; K713-W719 HydrophobicContact CB-CD2 4.45Å; K713-W719 HydrophobicContact CB-CE3 4.04Å; K713-W719 HydrophobicContact CB-CZ3 4.26Å; K713-W719 HydrophobicContact CD-CD2 4.47Å; K713-W719 HydrophobicContact CD-CZ2 4.33Å; K713-W719 HydrophobicContact CG-CD2 4.38Å; K713-W719 HydrophobicContact CG-CE3 4.46Å
714N64.1Low71.2Confident18 Ų1867.2 Ų67.210%0.09631%0.311CS..  trans-78.4169.8-174.27417.9000112.5T559 F716 G717 L718T559-N714 HydrophobicContact CG2-CB 3.6Å; N714-F716 PolarHBondContact O-N 3.17Å; N714-F716 VanDerWaalsContact O-N 3.09Å; N714-F716 VanDerWaalsContact OD1-C 3.31Å; N714-F716 VanDerWaalsContact OD1-CA 3.31Å; N714-F716 WeakPolarHBondContact OD1-CA 3.15Å; N714-F716 WeakPolarHBondContact OD1-CB 2.91Å; N714-F716 PolarHBondContact OD1-N 2.7Å; N714-G717 PolarHBondContact O-N 2.75Å; N714-G717 PolarHBondContact OD1-N 3.49Å; N714-L718 PolarHBondContact N-O 2.91Å; N714-L718 PolarHBondContact OD1-N 2.78Å; N714-L718 PolarHBondContact OD1-O 2.76Å
715R56Low71.8Confident214 Ų21460.2 Ų60.281%0.80828%0.281SS*.THydrogen-bonded Turntrans-61.5-18.2178.8-61.3-164.7-159.5133.917113.9E561 G717E561-R715 IonicContact OE1-CZ 3.23Å; E561-R715 IonicContact OE1-NH1 2.75Å; E561-R715 PolarHBondContact OE1-NH1 3.36Å; E561-R715 IonicContact OE1-NH2 3.43Å; E561-R715 PolarHBondContact OE1-NH2 3.08Å; R715-G717 VanDerWaalsContact C-N 3.33Å
716F57Low71.8Confident34 Ų3455.6 Ų55.615%0.14926%0.261CS..THydrogen-bonded Turntrans-87.6-0.9175.9-54.8-73.7000112.8G558 I595 L615 N714G558-F716 WeakPolarHBondContact O-CE2 3.39Å; I595-F716 HydrophobicContact CD1-CE1 3.89Å; I595-F716 HydrophobicContact CD1-CZ 4.09Å; I595-F716 HydrophobicContact CG1-CE1 3.61Å; I595-F716 HydrophobicContact CG1-CZ 4.09Å; L615-F716 WeakPolarHBondContact CD1-O 3.37Å; L615-F716 WeakPolarHBondContact CD2-O 3.41Å; N714-F716 PolarHBondContact O-N 3.17Å; N714-F716 VanDerWaalsContact O-N 3.09Å; N714-F716 VanDerWaalsContact OD1-C 3.31Å; N714-F716 VanDerWaalsContact OD1-CA 3.31Å; N714-F716 WeakPolarHBondContact OD1-CA 3.15Å; N714-F716 WeakPolarHBondContact OD1-CB 2.91Å; N714-F716 PolarHBondContact OD1-N 2.7Å
717G62Low71.4Confident27 Ų2756.7 Ų56.728%0.27827%0.266SS..SBendtrans85.44.6176.200000115.3K713 N714 R715K713-G717 WeakPolarHBondContact CE-O 3.44Å; N714-G717 PolarHBondContact O-N 2.75Å; N714-G717 PolarHBondContact OD1-N 3.49Å; R715-G717 VanDerWaalsContact C-N 3.33Å
718L70.8Confident70.9Confident9 Ų959.3 Ų59.35%0.04728%0.276CS..  trans-88.4148.3176.2-54.6176.6000110.9V590 L615 K713 N714V590-L718 HydrophobicContact CG1-CD1 3.61Å; V590-L718 HydrophobicContact CG1-CD2 3.75Å; V590-L718 HydrophobicContact CG1-CG 4.29Å; L615-L718 HydrophobicContact CD1-CD2 4.01Å; L615-L718 HydrophobicContact CD1-CG 4.44Å; K713-L718 CarbonylContact C-O 3.55Å; K713-L718 WeakPolarHBondContact CA-O 3.25Å; N714-L718 PolarHBondContact N-O 2.91Å; N714-L718 PolarHBondContact OD1-N 2.78Å; N714-L718 PolarHBondContact OD1-O 2.76Å
719W75.8Confident70Confident74 Ų7459.2 Ų59.228%0.2827%0.274SS..EExtended strand (participates in β ladder)trans-84.6129.1169.3-57.694.7000109.7I672 S673 L675 I711 I712 K713I672-W719 CarbonylContact C-O 3.39Å; I672-W719 VanDerWaalsContact CA-O 3.32Å; I672-W719 WeakPolarHBondContact CA-O 3.25Å; S673-W719 PolarHBondContact N-O 2.94Å; S673-W719 WeakPolarHBondContact O-CB 2.89Å; S673-W719 PolarHBondContact O-N 3.34Å; L675-W719 VanDerWaalsContact O-CD1 3.28Å; I711-W719 HydrophobicContact CG2-CE3 3.58Å; I711-W719 HydrophobicContact CG2-CZ3 3.92Å; I712-W719 WeakPolarHBondContact O-CA 3.13Å; K713-W719 HydrophobicContact CB-CD2 4.45Å; K713-W719 HydrophobicContact CB-CE3 4.04Å; K713-W719 HydrophobicContact CB-CZ3 4.26Å; K713-W719 HydrophobicContact CD-CD2 4.47Å; K713-W719 HydrophobicContact CD-CZ2 4.33Å; K713-W719 HydrophobicContact CG-CD2 4.38Å; K713-W719 HydrophobicContact CG-CE3 4.46Å
720E74Confident69Low41 Ų4161 Ų6119%0.19228%0.284CS..EExtended strand (participates in β ladder)trans-109.3127.6165.4-179.8178.2-116.100107.6T559 T670 F671 I672 I712T559-E720 WeakPolarHBondContact CB-OE1 2.87Å; T559-E720 WeakPolarHBondContact CB-OE2 3.44Å; T559-E720 HydrophobicContact CG2-CB 3.98Å; T559-E720 HydrophobicContact CG2-CG 4.24Å; T559-E720 WeakPolarHBondContact CG2-OE1 2.83Å; T559-E720 WeakPolarHBondContact CG2-OE2 3.46Å; T559-E720 PolarHBondContact OG1-OE1 3.02Å; T670-E720 HydrophobicContact CG2-CG 4.05Å; F671-E720 CarbonylContact O-C 3.56Å; F671-E720 WeakPolarHBondContact O-CA 3.13Å; I672-E720 HydrophobicContact CG1-CB 4.47Å; I712-E720 PolarHBondContact N-O 3.5Å; I712-E720 PolarHBondContact O-N 2.83Å
721I77.8Confident68.2Low0 Ų058.2 Ų58.20%028%0.278CS..EExtended strand (participates in β ladder)trans-110.6122.9171.8-34.3168000107.9T670 F671 P677 V679 Y710 I711T670-I721 CarbonylContact C-O 2.97Å; T670-I721 WeakPolarHBondContact CA-O 3.14Å; T670-I721 WeakPolarHBondContact CG2-O 3.4Å; F671-I721 HydrophobicContact CB-CB 4.38Å; F671-I721 HydrophobicContact CB-CD1 3.95Å; F671-I721 HydrophobicContact CB-CG1 4.3Å; F671-I721 PolarHBondContact N-O 2.8Å; F671-I721 PolarHBondContact O-N 2.73Å; P677-I721 HydrophobicContact CB-CD1 3.81Å; P677-I721 HydrophobicContact CG-CD1 3.26Å; P677-I721 HydrophobicContact CG-CG1 3.8Å; V679-I721 HydrophobicContact CG2-CD1 3.42Å; V679-I721 VanDerWaalsContact CG2-CD1 3.42Å; V679-I721 HydrophobicContact CG2-CG2 3.9Å; Y710-I721 CarbonylContact O-C 3.57Å; Y710-I721 WeakPolarHBondContact O-CA 3.24Å; I711-I721 HydrophobicContact CG1-CB 4.43Å; I711-I721 HydrophobicContact CG1-CG1 4.39Å; I711-I721 HydrophobicContact CG1-CG2 3.67Å
722L80Confident67.5Low63 Ų6355.3 Ų55.333%0.3326%0.263SS..EExtended strand (participates in β ladder)trans-102.7116.6160.717968.4000108N668 T670 Y710 T724N668-L722 HydrophobicContact CB-CD1 4.26Å; T670-L722 HydrophobicContact CG2-CB 4.35Å; T670-L722 HydrophobicContact CG2-CD1 4.24Å; T670-L722 VanDerWaalsContact OG1-CD1 3.26Å; T670-L722 WeakPolarHBondContact OG1-CD1 3.24Å; Y710-L722 PolarHBondContact N-O 2.8Å; Y710-L722 PolarHBondContact O-N 2.85Å; L722-T724 HydrophobicContact CD1-CG2 4.14Å; L722-T724 HydrophobicContact CD2-CG2 3.96Å; L722-T724 HydrophobicContact CG-CG2 3.73Å
723T80.7Confident66.8Low0 Ų054.2 Ų54.20%025%0.252CS..EExtended strand (participates in β ladder)trans-108.6123.2170.7-174.70000109.4N668 C669 F671 V679 W681 Q708 N709N668-T723 WeakPolarHBondContact CA-O 3.05Å; C669-T723 HydrophobicContact CB-CG2 3.79Å; C669-T723 PolarHBondContact N-O 3.37Å; C669-T723 PolarHBondContact O-N 2.84Å; F671-T723 HydrophobicContact CE2-CG2 4.15Å; V679-T723 HydrophobicContact CG1-CG2 3.83Å; W681-T723 HydrophobicContact CZ2-CG2 4.18Å; W681-T723 PolarHBondContact NE1-OG1 2.93Å; Q708-T723 WeakPolarHBondContact O-CA 3.34Å; N709-T723 VanDerWaalsContact OD1-CB 3.26Å; N709-T723 WeakPolarHBondContact OD1-CB 3.11Å; N709-T723 PolarHBondContact OD1-OG1 2.66Å
724T77.8Confident66.5Low15 Ų1553 Ų539%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-121.1134.3-177.2690000110N668 T707 Q708 L722N668-T724 HydrophobicContact CB-CG2 4.21Å; N668-T724 WeakPolarHBondContact OD1-CB 3.48Å; N668-T724 WeakPolarHBondContact OD1-CG2 3.1Å; T707-T724 CarbonylContact C-O 3.45Å; T707-T724 VanDerWaalsContact CA-O 3.26Å; T707-T724 WeakPolarHBondContact CA-O 3.34Å; Q708-T724 PolarHBondContact N-O 2.59Å; Q708-T724 PolarHBondContact O-N 2.99Å; L722-T724 HydrophobicContact CD1-CG2 4.14Å; L722-T724 HydrophobicContact CD2-CG2 3.96Å; L722-T724 HydrophobicContact CG-CG2 3.73Å
725L75.3Confident66.4Low0 Ų052.9 Ų52.90%025%0.25CC..EExtended strand (participates in β ladder)trans-104.9114.2171.9-177.576.7000108.3M667 W681 L703 W706 T707 F727 Y781M667-L725 HydrophobicContact CB-CB 4.05Å; M667-L725 PolarHBondContact N-O 2.96Å; M667-L725 PolarHBondContact O-N 2.91Å; M667-L725 HydrophobicContact SD-CD2 4.1Å; W681-L725 HydrophobicContact CD2-CB 4.47Å; W681-L725 HydrophobicContact CE3-CB 4.49Å; W681-L725 HydrophobicContact CE3-CD2 4.33Å; W681-L725 HydrophobicContact CH2-CB 4.27Å; W681-L725 HydrophobicContact CZ2-CB 4.23Å; W681-L725 HydrophobicContact CZ3-CB 4.4Å; W681-L725 HydrophobicContact CZ3-CD2 4.44Å; L703-L725 HydrophobicContact CD2-CD1 3.94Å; L703-L725 HydrophobicContact CD2-CD2 4.19Å; W706-L725 HydrophobicContact CB-CD1 3.6Å; T707-L725 HydrophobicContact CG2-CD1 3.99Å; L725-F727 HydrophobicContact CD2-CE2 4.37Å; L725-F727 HydrophobicContact CD2-CZ 4.05Å; L725-Y781 HydrophobicContact CD2-CD1 3.6Å; L725-Y781 HydrophobicContact CD2-CE1 3.97Å; L725-Y781 HydrophobicContact CD2-CG 4.45Å
726N70.2Confident66.6Low50 Ų5043.3 Ų43.327%0.26721%0.214SC..  trans-118.5109.6-170.1-169.9-2.6000112W706 Q728W706-N726 PolarHBondContact O-N 3.48Å; W706-N726 VanDerWaalsContact O-N 3.08Å; N726-Q728 PolarHBondContact ND2-NE2 2.82Å; N726-Q728 PolarHBondContact O-N 2.84Å
727F63.4Low66.6Low29 Ų2944.4 Ų44.413%0.12722%0.219CC..  trans-73.585.2-179.4-64.9-82.7000112M667 W706 L725 F729 M732 F777 Y781M667-F727 HydrophobicContact CE-CE2 3.73Å; M667-F727 HydrophobicContact CE-CZ 4.03Å; M667-F727 HydrophobicContact CG-CE2 4.17Å; M667-F727 HydrophobicContact SD-CE2 3.7Å; M667-F727 HydrophobicContact SD-CZ 4.02Å; W706-F727 HydrophobicContact CE3-CD1 4.01Å; W706-F727 HydrophobicContact CE3-CE1 4.13Å; W706-F727 HydrophobicContact CH2-CD1 4.43Å; W706-F727 AromaticContact CZ3-CD1 3.74Å; W706-F727 HydrophobicContact CZ3-CD1 3.74Å; W706-F727 AromaticContact CZ3-CE1 3.84Å; W706-F727 HydrophobicContact CZ3-CE1 3.84Å; L725-F727 HydrophobicContact CD2-CE2 4.37Å; L725-F727 HydrophobicContact CD2-CZ 4.05Å; F727-F729 PolarHBondContact O-N 3.04Å; F727-M732 HydrophobicContact CB-CE 3.88Å; F727-M732 HydrophobicContact CB-SD 3.86Å; F727-M732 HydrophobicContact CD1-SD 4.05Å; F727-M732 HydrophobicContact CG-SD 4.34Å; F727-F777 HydrophobicContact CD1-CD1 4.39Å; F727-F777 HydrophobicContact CD1-CE1 4.19Å; F727-F777 HydrophobicContact CE1-CD1 4.15Å; F727-F777 HydrophobicContact CE1-CE1 4.27Å; F727-Y781 HydrophobicContact CE1-CE1 4.18Å; F727-Y781 AromaticContact CZ-CE1 3.76Å; F727-Y781 HydrophobicContact CZ-CE1 3.76Å; F727-Y781 HydrophobicContact CZ-CE2 4.39Å; F727-Y781 AromaticContact CZ-CZ 3.68Å
728Q62.9Low66.7Low85 Ų8546.9 Ų46.940%0.39723%0.226SC..  trans-63.1118.2173.4-69.6-60.6-4400110.7N726 N730 D731 M732N726-Q728 PolarHBondContact ND2-NE2 2.82Å; N726-Q728 PolarHBondContact O-N 2.84Å; Q728-N730 PolarHBondContact O-N 2.83Å; Q728-D731 HydrophobicContact CB-CB 3.97Å; Q728-D731 WeakPolarHBondContact CB-OD2 3.39Å; Q728-D731 PolarHBondContact O-N 3.18Å; Q728-M732 PolarHBondContact O-N 2.56Å
729F57.8Low66.2Low84 Ų8446.5 Ų46.537%0.36822%0.224SC..Hα-helixtrans-58.4-34.1-179.9-177.1-94.3000112.6I659 F727 M732 R733I659-F729 HydrophobicContact CB-CE2 4.22Å; F727-F729 PolarHBondContact O-N 3.04Å; F729-M732 HydrophobicContact CB-CE 4.47Å; F729-M732 HydrophobicContact CD2-CE 4.4Å; F729-M732 PolarHBondContact O-N 2.93Å; F729-R733 WeakPolarHBondContact O-CB 3.42Å; F729-R733 PolarHBondContact O-N 2.63Å
730N58.3Low65.4Low111 Ų11143.3 Ų43.359%0.59421%0.212SC*.Hα-helixtrans-68.4-36.6176-73.6-28.3000112.7Q728 R733 L734Q728-N730 PolarHBondContact O-N 2.83Å; N730-R733 PolarHBondContact O-N 2.65Å; N730-L734 WeakPolarHBondContact O-CB 3.16Å; N730-L734 PolarHBondContact O-N 2.64Å
731D59.4Low64.8Low67 Ų6744.4 Ų44.436%0.35822%0.219SC..Hα-helixtrans-77.6-33.3176.2-62.1-23.6000111.4W706 Q728 R733 L734 Y735W706-D731 HydrophobicContact CZ2-CB 4.18Å; Q728-D731 HydrophobicContact CB-CB 3.97Å; Q728-D731 WeakPolarHBondContact CB-OD2 3.39Å; Q728-D731 PolarHBondContact O-N 3.18Å; D731-R733 VanDerWaalsContact C-N 3.34Å; D731-L734 PolarHBondContact O-N 3.33Å; D731-Y735 WeakPolarHBondContact O-CA 3.35Å; D731-Y735 WeakPolarHBondContact O-CB 3.24Å; D731-Y735 PolarHBondContact O-N 2.86Å
732M57.6Low64.1Low20 Ų2048.7 Ų48.710%0.09924%0.238CC..Hα-helixtrans-64.1-38166.7-70.1-166-67.900111.3W706 F727 Q728 F729 M736 F777W706-M732 HydrophobicContact CH2-CG 4.1Å; W706-M732 HydrophobicContact CZ2-CG 4.19Å; F727-M732 HydrophobicContact CB-CE 3.88Å; F727-M732 HydrophobicContact CB-SD 3.86Å; F727-M732 HydrophobicContact CD1-SD 4.05Å; F727-M732 HydrophobicContact CG-SD 4.34Å; Q728-M732 PolarHBondContact O-N 2.56Å; F729-M732 HydrophobicContact CB-CE 4.47Å; F729-M732 HydrophobicContact CD2-CE 4.4Å; F729-M732 PolarHBondContact O-N 2.93Å; M732-M736 WeakPolarHBondContact O-CA 2.94Å; M732-M736 WeakPolarHBondContact O-CB 3.18Å; M732-M736 VanDerWaalsContact O-CG 3.23Å; M732-M736 WeakPolarHBondContact O-CG 3.36Å; M732-M736 PolarHBondContact O-N 2.85Å; M732-F777 HydrophobicContact CB-CZ 4.46Å; M732-F777 HydrophobicContact CG-CE1 4.09Å; M732-F777 HydrophobicContact CG-CZ 4Å; M732-F777 HydrophobicContact SD-CD1 4.42Å; M732-F777 HydrophobicContact SD-CE1 3.57Å; M732-F777 VanDerWaalsContact SD-CE1 3.57Å; M732-F777 HydrophobicContact SD-CZ 3.72Å
733R56.2Low63.2Low74 Ų7446 Ų4628%0.27922%0.224SC..Hα-helixtrans-68.5-39.5174.7-167.7-175.4-168.4-159.81.4111.1Q652 L655 F729 N730 D731 K737Q652-R733 PolarHBondContact O-NH2 3.47Å; L655-R733 HydrophobicContact CB-CG 4.46Å; L655-R733 HydrophobicContact CD2-CG 4.12Å; L655-R733 PolarHBondContact O-NE 2.99Å; L655-R733 PolarHBondContact O-NH2 3.23Å; F729-R733 WeakPolarHBondContact O-CB 3.42Å; F729-R733 PolarHBondContact O-N 2.63Å; N730-R733 PolarHBondContact O-N 2.65Å; D731-R733 VanDerWaalsContact C-N 3.34Å; R733-K737 WeakPolarHBondContact O-CB 3.4Å; R733-K737 PolarHBondContact O-N 2.84Å
734L58.3Low62Low97 Ų9748 Ų4851%0.50823%0.233SC..Hα-helixtrans-71.8-39.6176.2-167.972.7000111.5N730 D731 K737 N738N730-L734 WeakPolarHBondContact O-CB 3.16Å; N730-L734 PolarHBondContact O-N 2.64Å; D731-L734 PolarHBondContact O-N 3.33Å; L734-K737 CarbonylContact O-C 3.52Å; L734-K737 PolarHBondContact O-N 2.89Å; L734-N738 WeakPolarHBondContact O-CB 3.49Å; L734-N738 PolarHBondContact O-N 3.29Å; L734-N738 PolarHBondContact O-ND2 2.87Å
735Y62.1Low61.1Low17 Ų1753.7 Ų53.77%0.06726%0.256CS..Hα-helixtrans-68.7-43.3173.7-176-102.5000111.1L696 S697 M698 I702 D731 K737 N738 S739L696-Y735 PolarHBondContact O-OH 2.67Å; S697-Y735 VanDerWaalsContact C-OH 3.28Å; S697-Y735 PolarHBondContact O-OH 3.19Å; M698-Y735 HydrophobicContact CG-CE1 4.42Å; I702-Y735 HydrophobicContact CD1-CD2 3.48Å; I702-Y735 VanDerWaalsContact CD1-CD2 3.48Å; I702-Y735 HydrophobicContact CD1-CE2 3.33Å; D731-Y735 WeakPolarHBondContact O-CA 3.35Å; D731-Y735 WeakPolarHBondContact O-CB 3.24Å; D731-Y735 PolarHBondContact O-N 2.86Å; Y735-K737 VanDerWaalsContact C-N 3.35Å; Y735-K737 PolarHBondContact O-N 3.17Å; Y735-N738 CarbonylContact O-C 3.51Å; Y735-N738 PolarHBondContact O-N 2.66Å; Y735-S739 WeakPolarHBondContact CE1-OG 3.17Å; Y735-S739 WeakPolarHBondContact O-CA 2.99Å; Y735-S739 WeakPolarHBondContact O-CB 3.31Å; Y735-S739 PolarHBondContact O-N 2.82Å; Y735-S739 PolarHBondContact O-OG 2.96Å
736M60.4Low60.4Low12 Ų1256 Ų566%0.05927%0.266CS..Hα-helixtrans-61.2-41.8170.7-79.6-71.6-78.400111.2L655 M732 N738 S739 L740 L772 I773 Q776L655-M736 HydrophobicContact CD2-CB 4.32Å; M732-M736 WeakPolarHBondContact O-CA 2.94Å; M732-M736 WeakPolarHBondContact O-CB 3.18Å; M732-M736 VanDerWaalsContact O-CG 3.23Å; M732-M736 WeakPolarHBondContact O-CG 3.36Å; M732-M736 PolarHBondContact O-N 2.85Å; M736-N738 VanDerWaalsContact C-N 3.34Å; M736-N738 PolarHBondContact O-N 3.45Å; M736-S739 PolarHBondContact O-N 3.25Å; M736-L740 HydrophobicContact CE-CD1 4.49Å; M736-L740 WeakPolarHBondContact O-CB 3.32Å; M736-L740 WeakPolarHBondContact O-CD1 3.19Å; M736-L740 WeakPolarHBondContact O-CG 3.3Å; M736-L740 PolarHBondContact O-N 2.85Å; M736-L772 HydrophobicContact CE-CB 4.38Å; M736-I773 HydrophobicContact CE-CG1 3.95Å; M736-Q776 PolarHBondContact SD-NE2 2.91Å; M736-Q776 PolarHBondContact SD-OE1 2.59Å
737K58.3Low59.6Low57 Ų5753.8 Ų53.825%0.24825%0.254CS..Hα-helixtrans-65.5-35.3173.5-168.8171.1-175.4173.80111.9Q652 L655 R733 L734 Y735 N741Q652-K737 VanDerWaalsContact OE1-NZ 3.14Å; L655-K737 HydrophobicContact CD1-CB 3.7Å; L655-K737 HydrophobicContact CD1-CD 3.91Å; L655-K737 HydrophobicContact CD1-CG 3.76Å; R733-K737 WeakPolarHBondContact O-CB 3.4Å; R733-K737 PolarHBondContact O-N 2.84Å; L734-K737 CarbonylContact O-C 3.52Å; L734-K737 PolarHBondContact O-N 2.89Å; Y735-K737 VanDerWaalsContact C-N 3.35Å; Y735-K737 PolarHBondContact O-N 3.17Å; K737-N741 WeakPolarHBondContact O-CA 3.47Å; K737-N741 WeakPolarHBondContact O-CB 3.25Å; K737-N741 PolarHBondContact O-N 3.31Å; K737-N741 PolarHBondContact O-ND2 2.93Å; K737-N741 PolarHBondContact O-OD1 3.1Å
738N63Low59.1Low80 Ų8054.9 Ų54.943%0.42826%0.261SS..Hα-helixtrans-79.7-26.1176.6-74.7-19.8000113L734 Y735 M736 K742L734-N738 WeakPolarHBondContact O-CB 3.49Å; L734-N738 PolarHBondContact O-N 3.29Å; L734-N738 PolarHBondContact O-ND2 2.87Å; Y735-N738 CarbonylContact O-C 3.51Å; Y735-N738 PolarHBondContact O-N 2.66Å; M736-N738 VanDerWaalsContact C-N 3.34Å; M736-N738 PolarHBondContact O-N 3.45Å; N738-K742 WeakPolarHBondContact O-CA 3.28Å; N738-K742 WeakPolarHBondContact O-CB 3.46Å; N738-K742 WeakPolarHBondContact O-CG 3.36Å; N738-K742 PolarHBondContact O-N 3.18Å
739S61Low58.5Low1 Ų154 Ų541%0.00726%0.26CS..Hα-helixtrans-83.8-33.9174.5-72.10000110.5Y735 M736 I743Y735-S739 WeakPolarHBondContact CE1-OG 3.17Å; Y735-S739 WeakPolarHBondContact O-CA 2.99Å; Y735-S739 WeakPolarHBondContact O-CB 3.31Å; Y735-S739 PolarHBondContact O-N 2.82Å; Y735-S739 PolarHBondContact O-OG 2.96Å; M736-S739 PolarHBondContact O-N 3.25Å; S739-I743 WeakPolarHBondContact O-CB 3.45Å; S739-I743 WeakPolarHBondContact O-CD1 3.36Å; S739-I743 WeakPolarHBondContact O-CG1 3.16Å; S739-I743 PolarHBondContact O-N 2.83Å
740L59.4Low58.2Low7 Ų751.5 Ų51.54%0.03725%0.249CC..Hα-helixtrans-72-35.6165-80.8154.8000111.9M736 I743 F744 F769 L772M736-L740 HydrophobicContact CE-CD1 4.49Å; M736-L740 WeakPolarHBondContact O-CB 3.32Å; M736-L740 WeakPolarHBondContact O-CD1 3.19Å; M736-L740 WeakPolarHBondContact O-CG 3.3Å; M736-L740 PolarHBondContact O-N 2.85Å; L740-I743 CarbonylContact O-C 3.42Å; L740-I743 PolarHBondContact O-N 2.8Å; L740-F744 HydrophobicContact CB-CD2 4.34Å; L740-F744 HydrophobicContact CB-CE2 4.39Å; L740-F744 HydrophobicContact CD2-CE2 3.97Å; L740-F744 VanDerWaalsContact O-CB 3.25Å; L740-F744 WeakPolarHBondContact O-CB 3.45Å; L740-F744 WeakPolarHBondContact O-CD2 3.24Å; L740-F744 WeakPolarHBondContact O-CG 3.16Å; L740-F744 PolarHBondContact O-N 2.91Å; L740-F769 HydrophobicContact CD1-CD1 4.42Å; L740-F769 HydrophobicContact CD1-CE1 3.47Å; L740-F769 VanDerWaalsContact CD1-CE1 3.47Å; L740-F769 HydrophobicContact CD1-CE2 4.48Å; L740-F769 HydrophobicContact CD1-CZ 3.52Å; L740-F769 HydrophobicContact CD2-CE2 4.36Å; L740-F769 HydrophobicContact CD2-CZ 4.1Å; L740-F769 HydrophobicContact CG-CZ 4.49Å; L740-L772 HydrophobicContact CD2-CD1 4.2Å
741N60Low58Low63 Ų6347.1 Ų47.134%0.33722%0.224SC..Hα-helixtrans-76.8-29.8173.1-75.4-11.5000112.2K737 K745K737-N741 WeakPolarHBondContact O-CA 3.47Å; K737-N741 WeakPolarHBondContact O-CB 3.25Å; K737-N741 PolarHBondContact O-N 3.31Å; K737-N741 PolarHBondContact O-ND2 2.93Å; K737-N741 PolarHBondContact O-OD1 3.1Å; N741-K745 WeakPolarHBondContact O-CB 3.45Å; N741-K745 PolarHBondContact O-N 2.75Å
742K63Low57.5Low90 Ų9048.1 Ų48.139%0.39124%0.235SC..Hα-helixtrans-59.4-64.1161.8-86169.5168.7-174.70107.2I695 N738 F744 K745 K746I695-K742 HydrophobicContact CG2-CB 4.08Å; I695-K742 HydrophobicContact CG2-CD 4.39Å; I695-K742 PolarHBondContact O-NZ 3.12Å; N738-K742 WeakPolarHBondContact O-CA 3.28Å; N738-K742 WeakPolarHBondContact O-CB 3.46Å; N738-K742 WeakPolarHBondContact O-CG 3.36Å; N738-K742 PolarHBondContact O-N 3.18Å; K742-F744 VanDerWaalsContact C-N 3.26Å; K742-F744 PolarHBondContact O-N 3.44Å; K742-F744 VanDerWaalsContact O-N 3.17Å; K742-K745 PolarHBondContact O-N 3.36Å; K742-K746 VanDerWaalsContact O-CA 3.31Å; K742-K746 WeakPolarHBondContact O-CA 3.38Å; K742-K746 WeakPolarHBondContact O-CB 3.39Å; K742-K746 PolarHBondContact O-N 3.2Å
743I61.4Low56.9Low7 Ų754.6 Ų54.64%0.03627%0.27CS..Hα-helixtrans-48.2-45.8178.5-73.6165000110.8I695 L696 S739 L740 K746 L747 L772I695-I743 HydrophobicContact CG2-CD1 4.47Å; I695-I743 HydrophobicContact CG2-CG1 3.73Å; L696-I743 HydrophobicContact CD2-CD1 3.98Å; S739-I743 WeakPolarHBondContact O-CB 3.45Å; S739-I743 WeakPolarHBondContact O-CD1 3.36Å; S739-I743 WeakPolarHBondContact O-CG1 3.16Å; S739-I743 PolarHBondContact O-N 2.83Å; L740-I743 CarbonylContact O-C 3.42Å; L740-I743 PolarHBondContact O-N 2.8Å; I743-K746 CarbonylContact O-C 3.3Å; I743-L747 HydrophobicContact CG2-CD1 3.38Å; I743-L747 HydrophobicContact CG2-CG 3.96Å; I743-L747 WeakPolarHBondContact O-CA 3.5Å; I743-L747 WeakPolarHBondContact O-CB 3.31Å; I743-L747 VanDerWaalsContact O-CD1 3.24Å; I743-L747 WeakPolarHBondContact O-CD1 3.12Å; I743-L747 WeakPolarHBondContact O-CG 3.3Å; I743-L747 PolarHBondContact O-N 2.88Å; I743-L772 HydrophobicContact CD1-CD1 4.47Å; I743-L772 HydrophobicContact CD1-CD2 4.27Å
744F57.2Low56.4Low43 Ų4358.5 Ų58.519%0.18929%0.289CS..Hα-helixtrans-74.7-39.9-179.9-75.8-56.2000114.6L740 K742 L747 N748L740-F744 HydrophobicContact CB-CD2 4.34Å; L740-F744 HydrophobicContact CB-CE2 4.39Å; L740-F744 HydrophobicContact CD2-CE2 3.97Å; L740-F744 VanDerWaalsContact O-CB 3.25Å; L740-F744 WeakPolarHBondContact O-CB 3.45Å; L740-F744 WeakPolarHBondContact O-CD2 3.24Å; L740-F744 WeakPolarHBondContact O-CG 3.16Å; L740-F744 PolarHBondContact O-N 2.91Å; K742-F744 VanDerWaalsContact C-N 3.26Å; K742-F744 PolarHBondContact O-N 3.44Å; K742-F744 VanDerWaalsContact O-N 3.17Å; F744-L747 HydrophobicContact CD1-CD1 3.5Å; F744-L747 VanDerWaalsContact CD1-CD1 3.5Å; F744-L747 HydrophobicContact CE1-CD1 3.9Å; F744-L747 HydrophobicContact CG-CD1 4.29Å; F744-L747 CarbonylContact O-C 3.56Å; F744-L747 PolarHBondContact O-N 3.43Å; F744-L747 VanDerWaalsContact O-N 3.14Å; F744-N748 VanDerWaalsContact O-CB 3.3Å; F744-N748 WeakPolarHBondContact O-CB 3.11Å; F744-N748 PolarHBondContact O-N 3.48Å; F744-N748 PolarHBondContact O-OD1 3.45Å
745K58.1Low55.8Low134 Ų13455.6 Ų55.658%0.58327%0.274SS*.Hα-helixtrans-65.9-46.1171-175.5-177172.6-174.20110N741 K742 L747 N748 D749N741-K745 WeakPolarHBondContact O-CB 3.45Å; N741-K745 PolarHBondContact O-N 2.75Å; K742-K745 PolarHBondContact O-N 3.36Å; K745-L747 PolarHBondContact O-N 3.01Å; K745-N748 CarbonylContact O-C 3.53Å; K745-N748 WeakPolarHBondContact O-CA 3.01Å; K745-N748 WeakPolarHBondContact O-CB 3.27Å; K745-N748 PolarHBondContact O-N 3.43Å; K745-D749 WeakPolarHBondContact CE-OD1 3.25Å; K745-D749 VanDerWaalsContact CE-OD2 3.24Å; K745-D749 WeakPolarHBondContact CE-OD2 3.08Å; K745-D749 VanDerWaalsContact O-CG 3.3Å; K745-D749 PolarHBondContact O-N 3.11Å
746K59.6Low54.7Low49 Ų4960.9 Ų60.921%0.21330%0.302CS..Hα-helixtrans-73.413.9169-170.9163.7171.8-171.10113.3M191 P192 P193 D194 T195 I695 K742 I743M191-K746 PolarHBondContact O-NZ 3Å; P192-K746 VanDerWaalsContact C-CE 3.45Å; P192-K746 VanDerWaalsContact O-CE 3.29Å; P192-K746 WeakPolarHBondContact O-CE 3.28Å; P193-K746 HydrophobicContact CB-CG 4.17Å; D194-K746 CarbonylContact C-O 3.57Å; D194-K746 VanDerWaalsContact CA-O 3.31Å; D194-K746 WeakPolarHBondContact CA-O 3.21Å; D194-K746 PolarHBondContact N-O 2.69Å; D194-K746 CarbonylContact O-C 3.56Å; D194-K746 VanDerWaalsContact O-C 3.24Å; T195-K746 HydrophobicContact CG2-CB 4Å; T195-K746 HydrophobicContact CG2-CG 3.82Å; I695-K746 HydrophobicContact CD1-CD 3.5Å; I695-K746 VanDerWaalsContact CD1-CD 3.5Å; I695-K746 VanDerWaalsContact CD1-CE 3.43Å; I695-K746 HydrophobicContact CD1-CG 4.06Å; I695-K746 HydrophobicContact CG1-CD 3.82Å; I695-K746 VanDerWaalsContact CG1-NZ 3.29Å; K742-K746 VanDerWaalsContact O-CA 3.31Å; K742-K746 WeakPolarHBondContact O-CA 3.38Å; K742-K746 WeakPolarHBondContact O-CB 3.39Å; K742-K746 PolarHBondContact O-N 3.2Å; I743-K746 CarbonylContact O-C 3.3Å
747L53.6Low53.7Low2 Ų262.3 Ų62.31%0.0131%0.312CS..Hα-helixtrans-115.1-25.5160.5-72150.2000107.7D194 Y253 I743 F744 K745 F751 L755D194-L747 WeakPolarHBondContact CB-O 3.39Å; D194-L747 CarbonylContact O-C 3.58Å; D194-L747 WeakPolarHBondContact OD1-CD2 3.43Å; D194-L747 VanDerWaalsContact OD2-CA 3.27Å; D194-L747 WeakPolarHBondContact OD2-CA 3.36Å; D194-L747 WeakPolarHBondContact OD2-CB 3.18Å; D194-L747 VanDerWaalsContact OD2-CD2 3.24Å; D194-L747 WeakPolarHBondContact OD2-CD2 3.45Å; Y253-L747 WeakPolarHBondContact O-CD2 3.41Å; I743-L747 HydrophobicContact CG2-CD1 3.38Å; I743-L747 HydrophobicContact CG2-CG 3.96Å; I743-L747 WeakPolarHBondContact O-CA 3.5Å; I743-L747 WeakPolarHBondContact O-CB 3.31Å; I743-L747 VanDerWaalsContact O-CD1 3.24Å; I743-L747 WeakPolarHBondContact O-CD1 3.12Å; I743-L747 WeakPolarHBondContact O-CG 3.3Å; I743-L747 PolarHBondContact O-N 2.88Å; F744-L747 HydrophobicContact CD1-CD1 3.5Å; F744-L747 VanDerWaalsContact CD1-CD1 3.5Å; F744-L747 HydrophobicContact CE1-CD1 3.9Å; F744-L747 HydrophobicContact CG-CD1 4.29Å; F744-L747 CarbonylContact O-C 3.56Å; F744-L747 PolarHBondContact O-N 3.43Å; F744-L747 VanDerWaalsContact O-N 3.14Å; K745-L747 PolarHBondContact O-N 3.01Å; L747-F751 VanDerWaalsContact O-CD2 3.26Å; L747-F751 WeakPolarHBondContact O-CD2 3.15Å; L747-L755 VanDerWaalsContact C-CD1 3.47Å; L747-L755 HydrophobicContact CB-CD1 3.76Å; L747-L755 WeakPolarHBondContact O-CD1 3.07Å
748N53Low52.8Low53 Ų5365 Ų6528%0.28332%0.321SS..Hα-helixtrans-83.1-37.9-179-741.6000113F744 K745 E750 F751 P752 L755F744-N748 VanDerWaalsContact O-CB 3.3Å; F744-N748 WeakPolarHBondContact O-CB 3.11Å; F744-N748 PolarHBondContact O-N 3.48Å; F744-N748 PolarHBondContact O-OD1 3.45Å; K745-N748 CarbonylContact O-C 3.53Å; K745-N748 WeakPolarHBondContact O-CA 3.01Å; K745-N748 WeakPolarHBondContact O-CB 3.27Å; K745-N748 PolarHBondContact O-N 3.43Å; N748-E750 VanDerWaalsContact C-N 3.34Å; N748-E750 PolarHBondContact O-N 3.38Å; N748-F751 CarbonylContact O-C 3.58Å; N748-F751 WeakPolarHBondContact O-CA 3.15Å; N748-F751 PolarHBondContact O-N 2.72Å; N748-P752 WeakPolarHBondContact O-CA 3.45Å; N748-P752 WeakPolarHBondContact O-CD 3.22Å; N748-L755 VanDerWaalsContact OD1-CB 3.24Å; N748-L755 WeakPolarHBondContact OD1-CB 3.08Å; N748-L755 VanDerWaalsContact OD1-CD1 3.27Å; N748-L755 WeakPolarHBondContact OD1-CD1 3.44Å
749D50.9Low51.7Low67 Ų6764.7 Ų64.736%0.35833%0.326SS..THydrogen-bonded Turntrans-73.4-15.3-170.8-35-48.2000113.7D194 T195 E196 K745D194-D749 PolarHBondContact O-N 3.43Å; T195-D749 HydrophobicContact CG2-CB 3.69Å; E196-D749 WeakPolarHBondContact CB-O 3.14Å; E196-D749 VanDerWaalsContact N-C 3.28Å; E196-D749 PolarHBondContact N-O 3.15Å; K745-D749 WeakPolarHBondContact CE-OD1 3.25Å; K745-D749 VanDerWaalsContact CE-OD2 3.24Å; K745-D749 WeakPolarHBondContact CE-OD2 3.08Å; K745-D749 VanDerWaalsContact O-CG 3.3Å; K745-D749 PolarHBondContact O-N 3.11Å
750E52Low51Low30 Ų3067.2 Ų67.214%0.1434%0.335CS..THydrogen-bonded Turntrans-82.1-23.4159.9-113.2163.8-103.800113.4D194 T195 E196 Q256 N748 P752D194-E750 VanDerWaalsContact CA-OE1 3.26Å; D194-E750 WeakPolarHBondContact CA-OE1 3.47Å; D194-E750 HydrophobicContact CB-CB 3.53Å; D194-E750 HydrophobicContact CB-CG 4.31Å; D194-E750 PolarHBondContact O-N 2.98Å; T195-E750 VanDerWaalsContact N-CB 3.29Å; T195-E750 PolarHBondContact N-OE1 2.74Å; E196-E750 VanDerWaalsContact N-CG 3.26Å; E196-E750 VanDerWaalsContact N-N 3.14Å; Q256-E750 PolarHBondContact NE2-OE2 3.37Å; N748-E750 VanDerWaalsContact C-N 3.34Å; N748-E750 PolarHBondContact O-N 3.38Å; E750-P752 WeakPolarHBondContact O-CD 3.37Å
751F52.8Low50.3Low19 Ų1971.4 Ų71.48%0.08336%0.357CS..SBendtrans-121.850.6-179.2-51.4-54.3000111.3D194 K255 Q256 L747 N748 D753 K754 L755D194-F751 HydrophobicContact CB-CD2 3.69Å; D194-F751 HydrophobicContact CB-CE2 3.27Å; D194-F751 HydrophobicContact CB-CZ 4.13Å; D194-F751 VanDerWaalsContact CG-CE2 3.49Å; D194-F751 VanDerWaalsContact OD2-CD2 3.31Å; D194-F751 WeakPolarHBondContact OD2-CD2 3.37Å; D194-F751 WeakPolarHBondContact OD2-CE2 3.18Å; K255-F751 VanDerWaalsContact C-CZ 3.48Å; K255-F751 HydrophobicContact CB-CD1 3.97Å; K255-F751 HydrophobicContact CB-CD2 3.85Å; K255-F751 HydrophobicContact CB-CE1 4.2Å; K255-F751 HydrophobicContact CB-CE2 4.02Å; K255-F751 HydrophobicContact CB-CG 3.84Å; K255-F751 HydrophobicContact CB-CZ 4.25Å; K255-F751 HydrophobicContact CD-CB 4.43Å; K255-F751 HydrophobicContact CD-CD2 3.3Å; K255-F751 HydrophobicContact CD-CE2 3.79Å; K255-F751 HydrophobicContact CD-CG 3.92Å; K255-F751 HydrophobicContact CG-CD2 4.21Å; K255-F751 HydrophobicContact CG-CG 4.48Å; K255-F751 WeakPolarHBondContact O-CE1 3.39Å; Q256-F751 HydrophobicContact CB-CE1 4.44Å; Q256-F751 HydrophobicContact CB-CZ 4.4Å; Q256-F751 HydrophobicContact CG-CE1 3.49Å; Q256-F751 VanDerWaalsContact CG-CE1 3.49Å; Q256-F751 HydrophobicContact CG-CZ 3.65Å; L747-F751 VanDerWaalsContact O-CD2 3.26Å; L747-F751 WeakPolarHBondContact O-CD2 3.15Å; N748-F751 CarbonylContact O-C 3.58Å; N748-F751 WeakPolarHBondContact O-CA 3.15Å; N748-F751 PolarHBondContact O-N 2.72Å; F751-D753 PolarHBondContact O-N 3.41Å; F751-K754 PolarHBondContact O-N 3Å; F751-L755 HydrophobicContact CB-CD1 4.29Å; F751-L755 HydrophobicContact CB-CG 4.41Å; F751-L755 HydrophobicContact CD2-CD1 4.38Å
752P49.6Very low49.8Very low89 Ų8973 Ų7358%0.57836%0.359SS*.THydrogen-bonded Turntrans-61.6-27.6-164.322.1-33.7000112.5N748 E750N748-P752 WeakPolarHBondContact O-CA 3.45Å; N748-P752 WeakPolarHBondContact O-CD 3.22Å; E750-P752 WeakPolarHBondContact O-CD 3.37Å
753D45.6Very low49.1Very low156 Ų15674 Ų7483%0.83437%0.365SS*.THydrogen-bonded Turntrans-95.2-3.8178-69.2-31.8000115.1F751F751-D753 PolarHBondContact O-N 3.41Å
754K46.1Very low48.4Very low155 Ų15575.9 Ų75.967%0.67438%0.377SS*.THydrogen-bonded Turntrans-134.85-156.9-70.7-173.2-178.7169.60119.2F751F751-K754 PolarHBondContact O-N 3Å
755L44Very low48.1Very low36 Ų3674.9 Ų74.919%0.18837%0.374CS..  trans-104103.3172.6-87.2167000114.2K255 L747 N748 F751K255-L755 HydrophobicContact CD-CD1 3.72Å; K255-L755 HydrophobicContact CD-CD2 3.56Å; K255-L755 HydrophobicContact CD-CG 3.69Å; K255-L755 HydrophobicContact CG-CD2 4.23Å; L747-L755 VanDerWaalsContact C-CD1 3.47Å; L747-L755 HydrophobicContact CB-CD1 3.76Å; L747-L755 WeakPolarHBondContact O-CD1 3.07Å; N748-L755 VanDerWaalsContact OD1-CB 3.24Å; N748-L755 WeakPolarHBondContact OD1-CB 3.08Å; N748-L755 VanDerWaalsContact OD1-CD1 3.27Å; N748-L755 WeakPolarHBondContact OD1-CD1 3.44Å; F751-L755 HydrophobicContact CB-CD1 4.29Å; F751-L755 HydrophobicContact CB-CG 4.41Å; F751-L755 HydrophobicContact CD2-CD1 4.38Å
756I38.9Very low47.9Very low128 Ų12870 Ų7066%0.65635%0.352SS*.  trans-105.9108.4165.3-59.2177.1000107.3Y758I756-Y758 HydrophobicContact CG2-CD2 3.75Å; I756-Y758 HydrophobicContact CG2-CG 4.4Å; I756-Y758 PolarHBondContact O-N 3.26Å
757P39.5Very low47.6Very low42 Ų4273.5 Ų73.527%0.27337%0.369SS..G310 helixtrans-65.7-1.8-171.3-2636.1000117.2S759P757-S759 PolarHBondContact O-N 2.81Å; P757-S759 VanDerWaalsContact O-N 3.1Å
758Y40.4Very low47.6Very low114 Ų11473.7 Ų73.745%0.44737%0.371SS..G310 helixtrans-73.95.3-170.4-78.3-98.4000115.6T645 N646 Q647 I650 I756T645-Y758 PolarHBondContact O-OH 3.14Å; N646-Y758 PolarHBondContact N-OH 2.9Å; Q647-Y758 PolarHBondContact N-OH 2.91Å; I650-Y758 HydrophobicContact CD1-CD1 3.78Å; I650-Y758 HydrophobicContact CD1-CE1 3.24Å; I650-Y758 HydrophobicContact CD1-CE2 4.48Å; I756-Y758 HydrophobicContact CG2-CD2 3.75Å; I756-Y758 HydrophobicContact CG2-CG 4.4Å; I756-Y758 PolarHBondContact O-N 3.26Å
759S40.6Very low47.9Very low74 Ų7471.8 Ų71.852%0.51736%0.36SS..G310 helixtrans-111.5-6.5-167.460.70000116.1P757P757-S759 PolarHBondContact O-N 2.81Å; P757-S759 VanDerWaalsContact O-N 3.1Å
760W45.7Very low48.2Very low53 Ų5369.3 Ų69.320%0.20135%0.346CS..  trans-83.2137.6-176.4-69.820.4000111.7L765 L768W760-L765 HydrophobicContact CB-CD1 3.78Å; W760-L765 HydrophobicContact CB-CD2 4.43Å; W760-L765 HydrophobicContact CB-CG 3.88Å; W760-L765 HydrophobicContact CD2-CD2 4.42Å; W760-L765 HydrophobicContact CE3-CD2 3.52Å; W760-L765 HydrophobicContact CE3-CG 3.96Å; W760-L765 HydrophobicContact CZ3-CD2 4.17Å; W760-L768 HydrophobicContact CH2-CD1 4.43Å; W760-L768 HydrophobicContact CZ3-CD1 3.93Å; W760-L768 HydrophobicContact CZ3-CD2 4.5Å
761D44.6Very low48.5Very low96 Ų9668.9 Ų68.951%0.51334%0.344SS..  trans-69.4135.7174.8-168.9-56.1000110.5Q763 V764 L765D761-Q763 PolarHBondContact O-N 2.94Å; D761-Q763 PolarHBondContact OD1-N 2.82Å; D761-V764 HydrophobicContact CB-CB 4.41Å; D761-V764 HydrophobicContact CB-CG2 4.12Å; D761-V764 PolarHBondContact O-N 3.49Å; D761-V764 VanDerWaalsContact O-N 3.07Å; D761-L765 PolarHBondContact O-N 2.93Å
762Y48.9Very low48.9Very low96 Ų9668 Ų6838%0.37634%0.34SS..Hα-helixtrans-56-34.9178.8175.7-97.1000113.2I640 K766I640-Y762 HydrophobicContact CD1-CE2 3.92Å; Y762-K766 HydrophobicContact CE1-CD 4.21Å; Y762-K766 WeakPolarHBondContact O-CB 3.26Å; Y762-K766 PolarHBondContact O-N 2.95Å
763Q48.1Very low49.4Very low111 Ų11164.1 Ų64.152%0.51931%0.314SS..Hα-helixtrans-70.1-34.5178-64.5-165.2-4.300112.4D761 Q767D761-Q763 PolarHBondContact O-N 2.94Å; D761-Q763 PolarHBondContact OD1-N 2.82Å; Q763-Q767 WeakPolarHBondContact O-CG 3.41Å; Q763-Q767 PolarHBondContact O-N 2.8Å; Q763-Q767 VanDerWaalsContact O-N 3.12Å
764V47.8Very low50.1Low46 Ų4658.3 Ų58.328%0.27928%0.283SS..Hα-helixtrans-73.3-43.6176.6178.20000110.3N252 D761 K766 Q767 L768N252-V764 WeakPolarHBondContact ND2-CG1 3.27Å; D761-V764 HydrophobicContact CB-CB 4.41Å; D761-V764 HydrophobicContact CB-CG2 4.12Å; D761-V764 PolarHBondContact O-N 3.49Å; D761-V764 VanDerWaalsContact O-N 3.07Å; V764-K766 PolarHBondContact O-N 3.46Å; V764-Q767 PolarHBondContact O-N 3.43Å; V764-L768 WeakPolarHBondContact O-CB 3.18Å; V764-L768 PolarHBondContact O-N 2.74Å
765L49.8Very low50.7Low23 Ų2351.2 Ų51.212%0.1225%0.252CS..Hα-helixtrans-54.5-50.2169.2-83.4159.3000111.2L654 W760 D761 Q767 L768 F769L654-L765 HydrophobicContact CD2-CB 4.1Å; L654-L765 HydrophobicContact CD2-CD1 4.09Å; L654-L765 HydrophobicContact CD2-CD2 3.84Å; L654-L765 HydrophobicContact CD2-CG 4.23Å; W760-L765 HydrophobicContact CB-CD1 3.78Å; W760-L765 HydrophobicContact CB-CD2 4.43Å; W760-L765 HydrophobicContact CB-CG 3.88Å; W760-L765 HydrophobicContact CD2-CD2 4.42Å; W760-L765 HydrophobicContact CE3-CD2 3.52Å; W760-L765 HydrophobicContact CE3-CG 3.96Å; W760-L765 HydrophobicContact CZ3-CD2 4.17Å; D761-L765 PolarHBondContact O-N 2.93Å; L765-Q767 PolarHBondContact O-N 2.6Å; L765-L768 PolarHBondContact O-N 3.06Å; L765-L768 VanDerWaalsContact O-N 3.15Å; L765-F769 HydrophobicContact CD2-CE2 4.11Å; L765-F769 WeakPolarHBondContact O-CD2 3.13Å; L765-F769 PolarHBondContact O-N 3.45Å
766K53.6Low51.6Low31 Ų3149.9 Ų49.914%0.13525%0.245CC..Hα-helixtrans-55.9-47.9179.5171.3166.6170.1114.60112.6N636 Y657 Y762 V764 L768 F769 E770N636-K766 PolarHBondContact OD1-NZ 3.1Å; Y657-K766 HydrophobicContact CE2-CD 4.33Å; Y657-K766 HydrophobicContact CE2-CG 4.1Å; Y657-K766 WeakPolarHBondContact OH-CD 3.42Å; Y657-K766 WeakPolarHBondContact OH-CE 3.34Å; Y657-K766 WeakPolarHBondContact OH-CG 3.11Å; Y657-K766 PolarHBondContact OH-NZ 3.22Å; Y762-K766 HydrophobicContact CE1-CD 4.21Å; Y762-K766 WeakPolarHBondContact O-CB 3.26Å; Y762-K766 PolarHBondContact O-N 2.95Å; V764-K766 PolarHBondContact O-N 3.46Å; K766-L768 VanDerWaalsContact C-N 3.34Å; K766-L768 PolarHBondContact O-N 2.63Å; K766-F769 PolarHBondContact O-N 2.86Å; K766-E770 IonicContact NZ-OE1 2.68Å; K766-E770 WeakPolarHBondContact O-CG 3.25Å; K766-E770 PolarHBondContact O-N 3.37Å
767Q53.7Low52.9Low122 Ų12244.4 Ų44.457%0.5722%0.217SC*.Hα-helixtrans-64.3-38.2177.3-72.2179.5-500112.5Q763 V764 L765 F771Q763-Q767 WeakPolarHBondContact O-CG 3.41Å; Q763-Q767 PolarHBondContact O-N 2.8Å; Q763-Q767 VanDerWaalsContact O-N 3.12Å; V764-Q767 PolarHBondContact O-N 3.43Å; L765-Q767 PolarHBondContact O-N 2.6Å; Q767-F771 WeakPolarHBondContact O-CB 3.38Å; Q767-F771 PolarHBondContact O-N 3.31Å
768L54.8Low54.3Low7 Ų743.5 Ų43.54%0.03721%0.209CC..Hα-helixtrans-69.9-37.1178.3-172.9148.6000112.3Y253 W760 V764 L765 K766 F771 L772Y253-L768 HydrophobicContact CD2-CD1 4.26Å; Y253-L768 HydrophobicContact CE2-CD1 3.65Å; Y253-L768 HydrophobicContact CE2-CG 4.29Å; W760-L768 HydrophobicContact CH2-CD1 4.43Å; W760-L768 HydrophobicContact CZ3-CD1 3.93Å; W760-L768 HydrophobicContact CZ3-CD2 4.5Å; V764-L768 WeakPolarHBondContact O-CB 3.18Å; V764-L768 PolarHBondContact O-N 2.74Å; L765-L768 PolarHBondContact O-N 3.06Å; L765-L768 VanDerWaalsContact O-N 3.15Å; K766-L768 VanDerWaalsContact C-N 3.34Å; K766-L768 PolarHBondContact O-N 2.63Å; L768-F771 PolarHBondContact O-N 3.46Å; L768-L772 HydrophobicContact CD2-CD1 3.82Å; L768-L772 HydrophobicContact CD2-CG 4.41Å; L768-L772 WeakPolarHBondContact O-CG 3.41Å; L768-L772 PolarHBondContact O-N 2.75Å
769F57.9Low55.8Low13 Ų1338.1 Ų38.16%0.05719%0.187CC..Hα-helixtrans-67.4-46.9172.5-91.7-107.5000112.2L654 L740 L765 K766 F771 L772 I773L654-F769 HydrophobicContact CB-CZ 4.3Å; L654-F769 HydrophobicContact CD2-CD2 4.22Å; L654-F769 HydrophobicContact CD2-CE2 3.58Å; L654-F769 HydrophobicContact CD2-CZ 3.85Å; L740-F769 HydrophobicContact CD1-CD1 4.42Å; L740-F769 HydrophobicContact CD1-CE1 3.47Å; L740-F769 VanDerWaalsContact CD1-CE1 3.47Å; L740-F769 HydrophobicContact CD1-CE2 4.48Å; L740-F769 HydrophobicContact CD1-CZ 3.52Å; L740-F769 HydrophobicContact CD2-CE2 4.36Å; L740-F769 HydrophobicContact CD2-CZ 4.1Å; L740-F769 HydrophobicContact CG-CZ 4.49Å; L765-F769 HydrophobicContact CD2-CE2 4.11Å; L765-F769 WeakPolarHBondContact O-CD2 3.13Å; L765-F769 PolarHBondContact O-N 3.45Å; K766-F769 PolarHBondContact O-N 2.86Å; F769-F771 PolarHBondContact O-N 2.87Å; F769-L772 PolarHBondContact O-N 2.73Å; F769-I773 WeakPolarHBondContact O-CD1 3.11Å; F769-I773 VanDerWaalsContact O-CG1 3.32Å; F769-I773 WeakPolarHBondContact O-CG1 3.45Å; F769-I773 PolarHBondContact O-N 3.01Å; F769-I773 VanDerWaalsContact O-N 3.13Å
770E57.4Low57.6Low15 Ų1536.1 Ų36.17%0.0717%0.171CC..Hα-helixtrans-56.5-37.1174.5-73.5177.4175.300111.4F634 Y657 K766 I774 K802F634-E770 HydrophobicContact CD1-CG 4.13Å; F634-E770 HydrophobicContact CD2-CG 4.37Å; F634-E770 HydrophobicContact CE1-CB 4.29Å; F634-E770 HydrophobicContact CE1-CG 4.07Å; F634-E770 HydrophobicContact CE2-CB 4.11Å; F634-E770 HydrophobicContact CE2-CG 4.3Å; F634-E770 HydrophobicContact CG-CG 4.28Å; F634-E770 HydrophobicContact CZ-CB 3.93Å; F634-E770 HydrophobicContact CZ-CG 4.16Å; F634-E770 WeakPolarHBondContact CZ-O 3.06Å; Y657-E770 HydrophobicContact CE1-CG 4.11Å; Y657-E770 PolarHBondContact OH-OE1 3.12Å; K766-E770 IonicContact NZ-OE1 2.68Å; K766-E770 WeakPolarHBondContact O-CG 3.25Å; K766-E770 PolarHBondContact O-N 3.37Å; E770-I774 WeakPolarHBondContact O-CG1 3.49Å; E770-I774 PolarHBondContact O-N 3.06Å; E770-K802 IonicContact OE1-NZ 3.03Å; E770-K802 PolarHBondContact OE1-NZ 2.85Å; E770-K802 IonicContact OE2-NZ 3.93Å; E770-K802 PolarHBondContact OE2-NZ 3.43Å
771F59.7Low59.2Low21 Ų2133.6 Ų33.69%0.09216%0.162CC..Hα-helixtrans-69.7-45175.1177.8-101.8000114.2L692 Q767 L768 F769 I773 I774 L775 L923 I926L692-F771 HydrophobicContact CD1-CE1 4.49Å; Q767-F771 WeakPolarHBondContact O-CB 3.38Å; Q767-F771 PolarHBondContact O-N 3.31Å; L768-F771 PolarHBondContact O-N 3.46Å; F769-F771 PolarHBondContact O-N 2.87Å; F771-I773 PolarHBondContact O-N 3.15Å; F771-I774 WeakPolarHBondContact O-CB 3.06Å; F771-I774 PolarHBondContact O-N 2.8Å; F771-I774 VanDerWaalsContact O-N 3.12Å; F771-L775 HydrophobicContact CD1-CD1 4.11Å; F771-L775 HydrophobicContact CD1-CG 4.28Å; F771-L775 HydrophobicContact CE1-CD1 3.26Å; F771-L775 HydrophobicContact CE1-CD2 4.49Å; F771-L775 HydrophobicContact CE1-CG 3.78Å; F771-L775 HydrophobicContact CE2-CD1 4.25Å; F771-L775 HydrophobicContact CE2-CD2 4.01Å; F771-L775 HydrophobicContact CE2-CG 4.06Å; F771-L775 HydrophobicContact CZ-CD1 3.37Å; F771-L775 HydrophobicContact CZ-CD2 3.88Å; F771-L775 HydrophobicContact CZ-CG 3.68Å; F771-L775 PolarHBondContact O-N 2.71Å; F771-L923 HydrophobicContact CD1-CD1 4.44Å; F771-L923 HydrophobicContact CD1-CD2 3.4Å; F771-L923 VanDerWaalsContact CD1-CD2 3.4Å; F771-L923 HydrophobicContact CD2-CD2 3.82Å; F771-L923 HydrophobicContact CE1-CD2 3.19Å; F771-L923 HydrophobicContact CE2-CD2 3.65Å; F771-L923 HydrophobicContact CG-CD2 3.69Å; F771-L923 HydrophobicContact CZ-CD2 3.31Å; F771-I926 HydrophobicContact CE2-CD1 3.83Å; F771-I926 HydrophobicContact CZ-CD1 4.38Å
772L59.8Low60.8Low1 Ų131 Ų311%0.00515%0.147CC..Hα-helixtrans-60.6-34.6178.1-76.7173.7000112.3L696 M736 L740 I743 L768 F769 L775 Q776L696-L772 HydrophobicContact CD1-CD2 4.47Å; L696-L772 HydrophobicContact CD2-CD2 4.42Å; M736-L772 HydrophobicContact CE-CB 4.38Å; L740-L772 HydrophobicContact CD2-CD1 4.2Å; I743-L772 HydrophobicContact CD1-CD1 4.47Å; I743-L772 HydrophobicContact CD1-CD2 4.27Å; L768-L772 HydrophobicContact CD2-CD1 3.82Å; L768-L772 HydrophobicContact CD2-CG 4.41Å; L768-L772 WeakPolarHBondContact O-CG 3.41Å; L768-L772 PolarHBondContact O-N 2.75Å; F769-L772 PolarHBondContact O-N 2.73Å; L772-L775 PolarHBondContact O-N 2.8Å; L772-Q776 PolarHBondContact O-N 2.83Å
773I59.7Low62.4Low6 Ų626.4 Ų26.43%0.03113%0.129CC..Hα-helixtrans-66.9-40.9175.2-66.1160.3000111F634 I659 M736 F769 F771 F777F634-I773 HydrophobicContact CE1-CB 4.3Å; F634-I773 HydrophobicContact CE1-CD1 3.99Å; F634-I773 HydrophobicContact CE1-CG2 4.06Å; F634-I773 HydrophobicContact CZ-CB 4.31Å; F634-I773 HydrophobicContact CZ-CG2 4.19Å; I659-I773 HydrophobicContact CD1-CD1 3.61Å; I659-I773 HydrophobicContact CD1-CG1 3.87Å; I659-I773 HydrophobicContact CD1-CG2 3.95Å; I659-I773 HydrophobicContact CG1-CD1 4.01Å; M736-I773 HydrophobicContact CE-CG1 3.95Å; F769-I773 WeakPolarHBondContact O-CD1 3.11Å; F769-I773 VanDerWaalsContact O-CG1 3.32Å; F769-I773 WeakPolarHBondContact O-CG1 3.45Å; F769-I773 PolarHBondContact O-N 3.01Å; F769-I773 VanDerWaalsContact O-N 3.13Å; F771-I773 PolarHBondContact O-N 3.15Å; I773-F777 WeakPolarHBondContact O-CD2 3.04Å
774I61Low64Low35 Ų3523.7 Ų23.718%0.17912%0.117CC..Hα-helixtrans-59.3-54.3173.7-67.2164000109.5F634 E770 F771 Q776 F777 E778 V800F634-I774 HydrophobicContact CE2-CD1 4.36Å; F634-I774 HydrophobicContact CE2-CG1 4.4Å; F634-I774 HydrophobicContact CZ-CG1 4.35Å; E770-I774 WeakPolarHBondContact O-CG1 3.49Å; E770-I774 PolarHBondContact O-N 3.06Å; F771-I774 WeakPolarHBondContact O-CB 3.06Å; F771-I774 PolarHBondContact O-N 2.8Å; F771-I774 VanDerWaalsContact O-N 3.12Å; I774-Q776 PolarHBondContact O-N 2.81Å; I774-F777 PolarHBondContact O-N 3.38Å; I774-E778 HydrophobicContact CG2-CB 4.31Å; I774-E778 WeakPolarHBondContact O-CB 3.33Å; I774-E778 PolarHBondContact O-N 3.01Å; I774-V800 HydrophobicContact CG1-CB 3.97Å; I774-V800 HydrophobicContact CG1-CG1 4.15Å; I774-V800 HydrophobicContact CG1-CG2 3.84Å
775L58.9Low65.7Low5 Ų521.6 Ų21.63%0.02610%0.104CC..Hα-helixtrans-64.4-38.4-171.8-67.7-165.5000115.6H687 L689 L692 L696 F771 L772 F777H687-L775 HydrophobicContact CB-CD2 3.95Å; H687-L775 WeakPolarHBondContact CD2-CD2 3.41Å; L689-L775 HydrophobicContact CD1-CB 4.49Å; L689-L775 HydrophobicContact CD1-CD1 3.95Å; L689-L775 HydrophobicContact CD1-CD2 4.27Å; L689-L775 HydrophobicContact CD1-CG 4.49Å; L689-L775 HydrophobicContact CD2-CD1 3.74Å; L689-L775 HydrophobicContact CD2-CD2 4.2Å; L692-L775 HydrophobicContact CD1-CD1 3.3Å; L696-L775 HydrophobicContact CD1-CB 4.41Å; F771-L775 HydrophobicContact CD1-CD1 4.11Å; F771-L775 HydrophobicContact CD1-CG 4.28Å; F771-L775 HydrophobicContact CE1-CD1 3.26Å; F771-L775 HydrophobicContact CE1-CD2 4.49Å; F771-L775 HydrophobicContact CE1-CG 3.78Å; F771-L775 HydrophobicContact CE2-CD1 4.25Å; F771-L775 HydrophobicContact CE2-CD2 4.01Å; F771-L775 HydrophobicContact CE2-CG 4.06Å; F771-L775 HydrophobicContact CZ-CD1 3.37Å; F771-L775 HydrophobicContact CZ-CD2 3.88Å; F771-L775 HydrophobicContact CZ-CG 3.68Å; F771-L775 PolarHBondContact O-N 2.71Å; L772-L775 PolarHBondContact O-N 2.8Å; L775-F777 VanDerWaalsContact C-N 3.35Å
776Q62.1Low67Low9 Ų922 Ų224%0.04211%0.109CC..Hα-helixtrans-71.9-28.6-175.9-77.2-178.836.300113.3L696 M736 L772 I774L696-Q776 HydrophobicContact CB-CG 4.23Å; L696-Q776 HydrophobicContact CD1-CG 4.12Å; L696-Q776 HydrophobicContact CD2-CG 4.13Å; L696-Q776 HydrophobicContact CG-CG 4.41Å; M736-Q776 PolarHBondContact SD-NE2 2.91Å; M736-Q776 PolarHBondContact SD-OE1 2.59Å; L772-Q776 PolarHBondContact O-N 2.83Å; I774-Q776 PolarHBondContact O-N 2.81Å
777F66.4Low68.2Low13 Ų1321.5 Ų21.56%0.05711%0.107CC..Hα-helixtrans-117-27.8-168.4-61.3-84.3000113.4F727 M732 I773 I774 L775 G779 L798F727-F777 HydrophobicContact CD1-CD1 4.39Å; F727-F777 HydrophobicContact CD1-CE1 4.19Å; F727-F777 HydrophobicContact CE1-CD1 4.15Å; F727-F777 HydrophobicContact CE1-CE1 4.27Å; M732-F777 HydrophobicContact CB-CZ 4.46Å; M732-F777 HydrophobicContact CG-CE1 4.09Å; M732-F777 HydrophobicContact CG-CZ 4Å; M732-F777 HydrophobicContact SD-CD1 4.42Å; M732-F777 HydrophobicContact SD-CE1 3.57Å; M732-F777 VanDerWaalsContact SD-CE1 3.57Å; M732-F777 HydrophobicContact SD-CZ 3.72Å; I773-F777 WeakPolarHBondContact O-CD2 3.04Å; I774-F777 PolarHBondContact O-N 3.38Å; L775-F777 VanDerWaalsContact C-N 3.35Å; F777-G779 PolarHBondContact O-N 2.62Å; F777-L798 HydrophobicContact CB-CD2 3.91Å; F777-L798 WeakPolarHBondContact O-CD2 3.27Å
778E69.7Low69.2Low23 Ų2320.6 Ų20.611%0.10712%0.115CC..SBendtrans-67.5100.8174.5-176142.2178.200109.9S685 Y686 I774 L798 R799 V800S685-E778 PolarHBondContact OG-O 3.22Å; Y686-E778 WeakPolarHBondContact CB-O 3.47Å; Y686-E778 HydrophobicContact CD2-CG 3.98Å; Y686-E778 PolarHBondContact N-O 3.05Å; I774-E778 HydrophobicContact CG2-CB 4.31Å; I774-E778 WeakPolarHBondContact O-CB 3.33Å; I774-E778 PolarHBondContact O-N 3.01Å; E778-L798 WeakPolarHBondContact CG-O 3.24Å; E778-R799 WeakPolarHBondContact OE1-CG 3.48Å; E778-R799 WeakPolarHBondContact OE2-CA 3.5Å; E778-V800 PolarHBondContact OE2-N 3.07Å
779G71.6Confident70.1Confident0 Ų026.4 Ų26.40%014%0.143CC..EExtended strand (participates in β ladder)trans176.4-171.3-17500000114.9F777 N797 L798F777-G779 PolarHBondContact O-N 2.62Å; G779-N797 WeakPolarHBondContact O-CA 3.1Å; G779-L798 PolarHBondContact O-N 2.9Å
780N78.1Confident70.8Confident33 Ų3327 Ų2718%0.17615%0.153CC..EExtended strand (participates in β ladder)trans-102.8134.7-174.8-58.12.4000111.6F683 H684 Y686 L795 I796 N797F683-N780 CarbonylContact C-O 3.53Å; F683-N780 WeakPolarHBondContact CA-O 3.43Å; F683-N780 WeakPolarHBondContact CD2-O 3.45Å; H684-N780 HydrophobicContact CB-CB 4.49Å; H684-N780 PolarHBondContact N-O 3.19Å; H684-N780 WeakPolarHBondContact O-CA 3.29Å; H684-N780 WeakPolarHBondContact O-CB 3.37Å; H684-N780 PolarHBondContact O-N 2.8Å; Y686-N780 WeakPolarHBondContact CE1-OD1 3.34Å; Y686-N780 PolarHBondContact OH-OD1 3.33Å; N780-L795 HydrophobicContact CB-CD1 4.24Å; N780-I796 CarbonylContact C-O 3.41Å; N780-I796 WeakPolarHBondContact CA-O 3.46Å; N780-N797 PolarHBondContact OD1-OD1 2.74Å
781Y78.9Confident71.8Confident0 Ų030.9 Ų30.90%017%0.173CC..EExtended strand (participates in β ladder)trans-119.5136.1173.6-62.4-105.1000110.3M667 F683 M698 L703 L725 F727 L795 I796M667-Y781 HydrophobicContact CE-CD2 3.82Å; M667-Y781 HydrophobicContact CE-CE2 3.95Å; M667-Y781 HydrophobicContact CE-CG 4.38Å; M667-Y781 HydrophobicContact SD-CD1 4.3Å; M667-Y781 HydrophobicContact SD-CD2 3.95Å; M667-Y781 HydrophobicContact SD-CE2 4.43Å; M667-Y781 HydrophobicContact SD-CG 3.88Å; F683-Y781 HydrophobicContact CB-CD1 4.15Å; F683-Y781 HydrophobicContact CB-CE1 4.3Å; F683-Y781 AromaticContact CD2-CD1 3.61Å; F683-Y781 HydrophobicContact CD2-CD1 3.61Å; F683-Y781 AromaticContact CD2-CD2 3.82Å; F683-Y781 HydrophobicContact CD2-CD2 3.82Å; F683-Y781 AromaticContact CD2-CE1 3.38Å; F683-Y781 HydrophobicContact CD2-CE1 3.38Å; F683-Y781 AromaticContact CD2-CE2 3.6Å; F683-Y781 HydrophobicContact CD2-CE2 3.6Å; F683-Y781 AromaticContact CD2-CG 3.82Å; F683-Y781 HydrophobicContact CD2-CG 3.82Å; F683-Y781 AromaticContact CD2-CZ 3.37Å; F683-Y781 HydrophobicContact CE2-CD1 4.46Å; F683-Y781 HydrophobicContact CE2-CD2 4.08Å; F683-Y781 AromaticContact CE2-CE1 3.93Å; F683-Y781 HydrophobicContact CE2-CE1 3.93Å; F683-Y781 AromaticContact CE2-CE2 3.49Å; F683-Y781 HydrophobicContact CE2-CE2 3.49Å; F683-Y781 VanDerWaalsContact CE2-CE2 3.49Å; F683-Y781 AromaticContact CE2-CZ 3.4Å; F683-Y781 VanDerWaalsContact CE2-CZ 3.4Å; F683-Y781 HydrophobicContact CG-CD1 4.25Å; F683-Y781 HydrophobicContact CG-CE1 4.04Å; M698-Y781 HydrophobicContact CE-CE1 3.87Å; L703-Y781 HydrophobicContact CD2-CD1 4.47Å; L725-Y781 HydrophobicContact CD2-CD1 3.6Å; L725-Y781 HydrophobicContact CD2-CE1 3.97Å; L725-Y781 HydrophobicContact CD2-CG 4.45Å; F727-Y781 HydrophobicContact CE1-CE1 4.18Å; F727-Y781 AromaticContact CZ-CE1 3.76Å; F727-Y781 HydrophobicContact CZ-CE1 3.76Å; F727-Y781 HydrophobicContact CZ-CE2 4.39Å; F727-Y781 AromaticContact CZ-CZ 3.68Å; Y781-L795 CarbonylContact O-C 2.74Å; Y781-L795 VanDerWaalsContact O-CA 3.29Å; Y781-L795 WeakPolarHBondContact O-CA 3.42Å; Y781-I796 PolarHBondContact N-O 2.84Å; Y781-I796 PolarHBondContact O-N 3.06Å
782L79.2Confident72.8Confident40 Ų4032.4 Ų32.421%0.20918%0.181CC..EExtended strand (participates in β ladder)trans-120.2139-178.8-170.390.6000111W681 L682 H793 G794 L795W681-L782 CarbonylContact C-O 3.4Å; W681-L782 VanDerWaalsContact CA-O 3.24Å; W681-L782 WeakPolarHBondContact CA-O 3.29Å; W681-L782 VanDerWaalsContact CE3-O 3.27Å; L682-L782 HydrophobicContact CB-CB 4.33Å; L682-L782 HydrophobicContact CD1-CD2 4.14Å; L682-L782 PolarHBondContact N-O 3.32Å; L682-L782 PolarHBondContact O-N 3.08Å; L782-H793 HydrophobicContact CD1-CB 4.4Å; L782-H793 HydrophobicContact CD2-CB 4.48Å; L782-H793 HydrophobicContact CG-CB 4.48Å; L782-G794 CarbonylContact C-O 3.44Å; L782-G794 VanDerWaalsContact CA-O 3.24Å; L782-G794 WeakPolarHBondContact CA-O 3.24Å; L782-G794 WeakPolarHBondContact CD1-O 3.29Å; L782-L795 HydrophobicContact CB-CD1 4.08Å; L782-L795 HydrophobicContact CD1-CB 4.24Å; L782-L795 HydrophobicContact CD1-CD1 3.65Å
783C82.5Confident73.7Confident0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-114.2143.6169.362.90000110.6C669 W681 H793 G794C669-C783 HydrophobicContact CB-CB 3.77Å; C669-C783 WeakPolarHBondContact CB-SG 3.49Å; C669-C783 WeakPolarHBondContact SG-CB 3.29Å; C669-C783 CovalentContact SG-SG 2.03Å; C669-C783 PolarHBondContact SG-SG 2.74Å; W681-C783 HydrophobicContact CD2-CB 3.67Å; W681-C783 HydrophobicContact CE3-CB 3.88Å; W681-C783 HydrophobicContact CG-CB 4.3Å; W681-C783 HydrophobicContact CH2-CB 3.92Å; W681-C783 HydrophobicContact CZ2-CB 3.71Å; W681-C783 HydrophobicContact CZ3-CB 4Å; C783-H793 CarbonylContact O-C 3.57Å; C783-H793 WeakPolarHBondContact O-CA 3.13Å; C783-H793 WeakPolarHBondContact O-CB 3.29Å; C783-G794 PolarHBondContact N-O 3.32Å; C783-G794 PolarHBondContact O-N 3.12Å
784E81.7Confident74.5Confident55 Ų5538.1 Ų38.126%0.25721%0.209SC..EExtended strand (participates in β ladder)trans-138143.7-176.5-172.6-172.1137.100110.9V679 Q680 I791 E792 H793V679-E784 CarbonylContact C-O 3.49Å; V679-E784 VanDerWaalsContact CA-O 3.31Å; V679-E784 WeakPolarHBondContact CA-O 3.33Å; Q680-E784 PolarHBondContact N-O 2.72Å; Q680-E784 PolarHBondContact O-N 3Å; E784-I791 HydrophobicContact CG-CG2 3.61Å; E784-I791 WeakPolarHBondContact OE1-CG2 3.49Å; E784-E792 CarbonylContact C-O 3.28Å; E784-E792 WeakPolarHBondContact CA-O 3.27Å; E784-H793 HydrophobicContact CB-CB 4.34Å; E784-H793 HydrophobicContact CG-CB 4.4Å
785S82.5Confident75.2Confident1 Ų139.5 Ų39.51%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-139.4143.3169.8-174.20000112.6D678 I791 E792D678-S785 CarbonylContact O-C 3.49Å; D678-S785 WeakPolarHBondContact O-CA 3.4Å; D678-S785 WeakPolarHBondContact O-CB 3.4Å; D678-S785 PolarHBondContact O-OG 3.2Å; S785-I791 CarbonylContact O-C 2.89Å; S785-I791 WeakPolarHBondContact O-CA 3.41Å; S785-I791 WeakPolarHBondContact O-CG2 3.27Å; S785-E792 PolarHBondContact N-O 2.83Å; S785-E792 PolarHBondContact O-N 2.89Å
786S77.9Confident76Confident32 Ų3239.5 Ų39.522%0.22422%0.216CC..EExtended strand (participates in β ladder)trans-131.4152.4-178.565.40000113.1P677 D678 G790P677-S786 CarbonylContact C-O 3.24Å; P677-S786 WeakPolarHBondContact CA-O 3.5Å; P677-S786 WeakPolarHBondContact CB-O 2.98Å; D678-S786 PolarHBondContact N-O 2.8Å; D678-S786 PolarHBondContact O-N 2.65Å; S786-G790 CarbonylContact C-O 3.51Å; S786-G790 WeakPolarHBondContact CA-O 3.31Å
787N79.8Confident76.6Confident20 Ų2040.2 Ų40.211%0.10722%0.221CC..EExtended strand (participates in β ladder)trans-143-177.216282.520.1000110.3P620 S673 P677 M789 G790P620-N787 VanDerWaalsContact CD-CG 3.46Å; P620-N787 WeakPolarHBondContact CD-ND2 3.02Å; P620-N787 WeakPolarHBondContact CD-OD1 3.48Å; P620-N787 HydrophobicContact CG-CB 3.92Å; S673-N787 PolarHBondContact OG-ND2 3.02Å; P677-N787 HydrophobicContact CB-CB 4.37Å; N787-M789 PolarHBondContact O-N 3.1Å; N787-M789 WeakPolarHBondContact OD1-CA 3.12Å; N787-M789 WeakPolarHBondContact OD1-CB 3.26Å; N787-M789 PolarHBondContact OD1-N 3.21Å; N787-G790 PolarHBondContact N-O 2.86Å; N787-G790 PolarHBondContact O-N 2.9Å; N787-G790 VanDerWaalsContact O-N 3.1Å
788S73.2Confident76.7Confident103 Ų10340 Ų4072%0.7222%0.22SC*.THydrogen-bonded Turntrans-62.3-1.5-177.667.40000116.2
789M73.3Confident76.7Confident130 Ų13045.6 Ų45.664%0.6424%0.24SC*.THydrogen-bonded Turntrans-118.5-2.8178.9-60.9-71.7-179.100113.4K619 L675 N787K619-M789 HydrophobicContact CB-CB 3.69Å; L675-M789 HydrophobicContact CD1-CE 4.39Å; L675-M789 HydrophobicContact CD1-CG 3.84Å; N787-M789 PolarHBondContact O-N 3.1Å; N787-M789 WeakPolarHBondContact OD1-CA 3.12Å; N787-M789 WeakPolarHBondContact OD1-CB 3.26Å; N787-M789 PolarHBondContact OD1-N 3.21Å
790G74.4Confident76.4Confident25 Ų2545.9 Ų45.926%0.25824%0.242SC..EExtended strand (participates in β ladder)trans151.6-176.4177.800000115.8S786 N787S786-G790 CarbonylContact C-O 3.51Å; S786-G790 WeakPolarHBondContact CA-O 3.31Å; N787-G790 PolarHBondContact N-O 2.86Å; N787-G790 PolarHBondContact O-N 2.9Å; N787-G790 VanDerWaalsContact O-N 3.1Å
791I78Confident75.7Confident96 Ų9649 Ų4949%0.49226%0.255SS..EExtended strand (participates in β ladder)trans-129.6149.1-175.2-46.5-174.1000109.8E784 S785E784-I791 HydrophobicContact CG-CG2 3.61Å; E784-I791 WeakPolarHBondContact OE1-CG2 3.49Å; S785-I791 CarbonylContact O-C 2.89Å; S785-I791 WeakPolarHBondContact O-CA 3.41Å; S785-I791 WeakPolarHBondContact O-CG2 3.27Å
792E79.4Confident75Confident54 Ų5450.8 Ų50.825%0.25226%0.263SS..EExtended strand (participates in β ladder)trans-140.6153175.3-74.8-60.8158.700111.7K619 P620 F671 E784 S785K619-E792 WeakPolarHBondContact CE-OE1 3.2Å; K619-E792 IonicContact NZ-OE1 3.17Å; K619-E792 PolarHBondContact NZ-OE1 3.08Å; P620-E792 WeakPolarHBondContact O-CG 3.31Å; F671-E792 HydrophobicContact CD1-CB 4.35Å; F671-E792 HydrophobicContact CE1-CB 3.98Å; E784-E792 CarbonylContact C-O 3.28Å; E784-E792 WeakPolarHBondContact CA-O 3.27Å; S785-E792 PolarHBondContact N-O 2.83Å; S785-E792 PolarHBondContact O-N 2.89Å
793H80.3Confident74.2Confident118 Ų11851.6 Ų51.655%0.54627%0.272SS..EExtended strand (participates in β ladder)trans-151.3168.2-17862.3-109000115.5L782 C783 E784L782-H793 HydrophobicContact CD1-CB 4.4Å; L782-H793 HydrophobicContact CD2-CB 4.48Å; L782-H793 HydrophobicContact CG-CB 4.48Å; C783-H793 CarbonylContact O-C 3.57Å; C783-H793 WeakPolarHBondContact O-CA 3.13Å; C783-H793 WeakPolarHBondContact O-CB 3.29Å; E784-H793 HydrophobicContact CB-CB 4.34Å; E784-H793 HydrophobicContact CG-CB 4.4Å
794G76.3Confident73.3Confident8 Ų852.3 Ų52.38%0.08228%0.276CS..EExtended strand (participates in β ladder)trans-158.1159.7177.800000114.9L782 C783L782-G794 CarbonylContact C-O 3.44Å; L782-G794 VanDerWaalsContact CA-O 3.24Å; L782-G794 WeakPolarHBondContact CA-O 3.24Å; L782-G794 WeakPolarHBondContact CD1-O 3.29Å; C783-G794 PolarHBondContact N-O 3.32Å; C783-G794 PolarHBondContact O-N 3.12Å
795L75Confident72.4Confident65 Ų6552.1 Ų52.134%0.3428%0.279SS..EExtended strand (participates in β ladder)trans-132.2150.4-162.4-164.178.1000115N780 Y781 L782N780-L795 HydrophobicContact CB-CD1 4.24Å; Y781-L795 CarbonylContact O-C 2.74Å; Y781-L795 VanDerWaalsContact O-CA 3.29Å; Y781-L795 WeakPolarHBondContact O-CA 3.42Å; L782-L795 HydrophobicContact CB-CD1 4.08Å; L782-L795 HydrophobicContact CD1-CB 4.24Å; L782-L795 HydrophobicContact CD1-CD1 3.65Å
796I75.8Confident71.3Confident5 Ų554.1 Ų54.13%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-137.2150.7-177-55.1174000111.8P626 M667 W681 N780 Y781P626-I796 HydrophobicContact CB-CD1 3.5Å; P626-I796 HydrophobicContact CB-CG1 3.57Å; P626-I796 HydrophobicContact CG-CD1 3.44Å; P626-I796 VanDerWaalsContact CG-CD1 3.44Å; P626-I796 HydrophobicContact CG-CG1 3.23Å; M667-I796 HydrophobicContact CB-CD1 3.55Å; M667-I796 HydrophobicContact CE-CG2 3.74Å; M667-I796 HydrophobicContact CG-CD1 3.56Å; M667-I796 HydrophobicContact CG-CG2 4.36Å; M667-I796 HydrophobicContact SD-CB 4.48Å; M667-I796 HydrophobicContact SD-CD1 3.63Å; M667-I796 HydrophobicContact SD-CG2 3.99Å; W681-I796 HydrophobicContact CH2-CD1 3.95Å; W681-I796 HydrophobicContact CZ3-CD1 3.86Å; N780-I796 CarbonylContact C-O 3.41Å; N780-I796 WeakPolarHBondContact CA-O 3.46Å; Y781-I796 PolarHBondContact N-O 2.84Å; Y781-I796 PolarHBondContact O-N 3.06Å
797N74Confident70.3Confident24 Ų2454.5 Ų54.513%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-132151.3173.6-43.8-73.1000115E628 K629 M630 Y686 G779 N780E628-N797 WeakPolarHBondContact O-CB 3.48Å; E628-N797 PolarHBondContact O-N 2.83Å; E628-N797 VanDerWaalsContact O-N 3.13Å; E628-N797 PolarHBondContact O-ND2 3.42Å; K629-N797 CarbonylContact C-O 3.58Å; K629-N797 WeakPolarHBondContact CA-O 3.4Å; M630-N797 PolarHBondContact N-O 3.33Å; Y686-N797 HydrophobicContact CE2-CB 3.95Å; Y686-N797 WeakPolarHBondContact OH-CB 3.42Å; Y686-N797 PolarHBondContact OH-OD1 3.35Å; G779-N797 WeakPolarHBondContact O-CA 3.1Å; N780-N797 PolarHBondContact OD1-OD1 2.74Å
798L70.1Confident68.8Low9 Ų959.6 Ų59.65%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-131.5151-178.2-17165.8000113.7M630 L632 F777 E778 G779M630-L798 HydrophobicContact CB-CD1 3.57Å; M630-L798 HydrophobicContact CG-CD1 3.56Å; M630-L798 CarbonylContact O-C 3.35Å; M630-L798 WeakPolarHBondContact O-CA 3.3Å; M630-L798 HydrophobicContact SD-CD1 3.93Å; L632-L798 HydrophobicContact CD1-CD2 4.17Å; L632-L798 HydrophobicContact CG-CD1 4.34Å; F777-L798 HydrophobicContact CB-CD2 3.91Å; F777-L798 WeakPolarHBondContact O-CD2 3.27Å; E778-L798 WeakPolarHBondContact CG-O 3.24Å; G779-L798 PolarHBondContact O-N 2.9Å
799R68.4Low67.2Low139 Ų13955.8 Ų55.853%0.52529%0.292SS..EExtended strand (participates in β ladder)trans-151171.4178.4-63.1-165.2176.6-179.3-2.8116.4M630 T631 L632 E778M630-R799 PolarHBondContact O-N 2.89Å; T631-R799 CarbonylContact C-O 2.98Å; T631-R799 VanDerWaalsContact CA-O 3.25Å; T631-R799 WeakPolarHBondContact CA-O 3.48Å; L632-R799 PolarHBondContact N-O 3.01Å; E778-R799 WeakPolarHBondContact OE1-CG 3.48Å; E778-R799 WeakPolarHBondContact OE2-CA 3.5Å
800V66.6Low65.7Low6 Ų651.2 Ų51.24%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-138.8147-175.8-163.80000117L632 F634 I774 E778 K844L632-V800 HydrophobicContact CB-CG1 4.18Å; L632-V800 HydrophobicContact CB-CG2 4.13Å; L632-V800 HydrophobicContact CD1-CG2 4.25Å; L632-V800 WeakPolarHBondContact O-CA 3.22Å; L632-V800 WeakPolarHBondContact O-CG1 3.26Å; F634-V800 HydrophobicContact CD2-CG1 4.02Å; F634-V800 HydrophobicContact CE2-CG1 3.45Å; F634-V800 VanDerWaalsContact CE2-CG1 3.45Å; F634-V800 HydrophobicContact CZ-CG1 4Å; I774-V800 HydrophobicContact CG1-CB 3.97Å; I774-V800 HydrophobicContact CG1-CG1 4.15Å; I774-V800 HydrophobicContact CG1-CG2 3.84Å; E778-V800 PolarHBondContact OE2-N 3.07Å; V800-K844 WeakPolarHBondContact O-CE 3.28Å; V800-K844 PolarHBondContact O-NZ 3.01Å
801Q62.7Low63.9Low99 Ų9954.1 Ų54.146%0.46328%0.284SS..EExtended strand (participates in β ladder)trans-137165.3-176.9-54.1-167.623.200116.9L632L632-Q801 PolarHBondContact O-N 3.29Å
802K63.5Low61.9Low38 Ų3854.2 Ų54.217%0.16528%0.283CS..EExtended strand (participates in β ladder)trans-165.3139.1-177.2-172.3162.3175.3168.60118.8E770 K844E770-K802 IonicContact OE1-NZ 3.03Å; E770-K802 PolarHBondContact OE1-NZ 2.85Å; E770-K802 IonicContact OE2-NZ 3.93Å; E770-K802 PolarHBondContact OE2-NZ 3.43Å; K802-K844 CarbonylContact C-O 3.5Å; K802-K844 PolarHBondContact N-O 2.76Å; K802-K844 CarbonylContact O-C 3.57Å; K802-K844 VanDerWaalsContact O-C 3.24Å; K802-K844 WeakPolarHBondContact O-CA 3.36Å; K802-K844 PolarHBondContact O-N 2.93Å
803S63.7Low60Low57 Ų5752.9 Ų52.940%0.39928%0.281SS..EExtended strand (participates in β ladder)trans-75169.5-178.964.20000117
804P63.2Low57.8Low14 Ų1447.8 Ų47.89%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-75.4145.5-176.1-21.134.9000117.9Y842 L847 N955P804-Y842 CarbonylContact C-O 3.41Å; P804-Y842 WeakPolarHBondContact CA-O 3.27Å; P804-L847 HydrophobicContact CB-CD2 4.14Å; P804-L847 HydrophobicContact CG-CD2 4.27Å; P804-N955 WeakPolarHBondContact CD-OD1 3.45Å; P804-N955 HydrophobicContact CG-CB 4.16Å; P804-N955 WeakPolarHBondContact CG-OD1 3.27Å
805T61.4Low55.7Low52 Ų5248.5 Ų48.532%0.31926%0.262SS..EExtended strand (participates in β ladder)trans-145.8152.3175.9570000112.2Y842T805-Y842 PolarHBondContact N-O 3.33Å; T805-Y842 PolarHBondContact O-N 2.85Å
806S60.6Low54.1Low42 Ų4246.5 Ų46.529%0.29425%0.251SS..EExtended strand (participates in β ladder)trans-63.7141.4166.4480000112.3F960S806-F960 VanDerWaalsContact CB-CE1 3.44Å; S806-F960 WeakPolarHBondContact OG-CE1 3.49Å; S806-F960 WeakPolarHBondContact OG-CZ 3.18Å
807I57Low52.2Low41 Ų4148.6 Ų48.621%0.2127%0.266CS..  trans-90.9144.6165.1-50.8165.5000107.3S809 Q840 F841 A898 T931I807-S809 PolarHBondContact O-N 2.85Å; I807-Q840 HydrophobicContact CB-CG 4.05Å; I807-Q840 PolarHBondContact N-O 2.91Å; I807-F841 WeakPolarHBondContact CD1-O 3.33Å; I807-A898 HydrophobicContact CD1-CB 3.79Å; I807-T931 HydrophobicContact CD1-CG2 3.63Å
808I47.7Very low50.7Low127 Ų12750 Ų5065%0.65127%0.274SS*.SBendtrans-35.3113.4-178.1-59.6169.9000110.8Q840I808-Q840 PolarHBondContact O-NE2 2.78Å
809S40.5Very low49.3Very low23 Ų2351.9 Ų51.916%0.16129%0.288CS..  trans-101.3157.8-165.173.70000113.4I807 S811 E962 R964I807-S809 PolarHBondContact O-N 2.85Å; S809-S811 PolarHBondContact O-N 3.14Å; S809-E962 VanDerWaalsContact CB-OE1 3.29Å; S809-E962 WeakPolarHBondContact CB-OE1 3.22Å; S809-E962 WeakPolarHBondContact CB-OE2 3.43Å; S809-E962 PolarHBondContact OG-OE1 2.79Å; S809-E962 PolarHBondContact OG-OE2 2.72Å; S809-E962 VanDerWaalsContact OG-OE2 3.1Å; S809-R964 VanDerWaalsContact CB-NH2 3.33Å; S809-R964 PolarHBondContact OG-NH2 2.87Å
810F41.8Very low48Very low33 Ų3352.1 Ų52.115%0.14530%0.295CS..  trans-74.247.5-177.9-76.4-116.4000112.4E812 A813 F838 F899 T901 V1002 I1004F810-E812 VanDerWaalsContact C-N 3.26Å; F810-E812 PolarHBondContact O-N 2.71Å; F810-A813 HydrophobicContact CB-CB 4.37Å; F810-A813 HydrophobicContact CD1-CB 4.14Å; F810-A813 PolarHBondContact O-N 3.17Å; F810-F838 HydrophobicContact CB-CD1 4.02Å; F810-F838 AromaticContact CD2-CD1 3.38Å; F810-F838 HydrophobicContact CD2-CD1 3.38Å; F810-F838 AromaticContact CD2-CE1 3.42Å; F810-F838 HydrophobicContact CD2-CE1 3.42Å; F810-F838 VanDerWaalsContact CD2-CE1 3.42Å; F810-F838 HydrophobicContact CD2-CG 4.47Å; F810-F838 AromaticContact CE2-CD1 3.95Å; F810-F838 HydrophobicContact CE2-CD1 3.95Å; F810-F838 AromaticContact CE2-CE1 3.62Å; F810-F838 HydrophobicContact CE2-CE1 3.62Å; F810-F838 HydrophobicContact CE2-CZ 4.36Å; F810-F838 AromaticContact CG-CD1 3.86Å; F810-F838 HydrophobicContact CG-CD1 3.86Å; F810-F838 HydrophobicContact CG-CE1 4.34Å; F810-F899 HydrophobicContact CE2-CB 4.49Å; F810-T901 HydrophobicContact CE1-CG2 4.26Å; F810-T901 HydrophobicContact CE2-CG2 3.98Å; F810-T901 HydrophobicContact CZ-CG2 3.42Å; F810-T901 VanDerWaalsContact CZ-CG2 3.42Å; F810-V1002 HydrophobicContact CE1-CB 4.49Å; F810-V1002 HydrophobicContact CE1-CG1 4Å; F810-V1002 HydrophobicContact CZ-CG1 4.38Å; F810-I1004 HydrophobicContact CE1-CD1 3.85Å; F810-I1004 HydrophobicContact CZ-CD1 3.82Å
811S36.6Very low46.9Very low86 Ų8659.8 Ų59.860%0.60133%0.33SS*.THydrogen-bonded Turntrans-65.3-21.2-170.556.20000114.7S809S809-S811 PolarHBondContact O-N 3.14Å
812E35.5Very low45.9Very low98 Ų9860.2 Ų60.246%0.45834%0.335SS..THydrogen-bonded Turntrans-103.8-9.5179.9-60.6-166.7153.200114.8F810F810-E812 VanDerWaalsContact C-N 3.26Å; F810-E812 PolarHBondContact O-N 2.71Å
813A40Very low44.8Very low26 Ų2661.8 Ų61.822%0.21536%0.355CS..THydrogen-bonded Turntrans-95.1-13.3-165.800000115.6F810F810-A813 HydrophobicContact CB-CB 4.37Å; F810-A813 HydrophobicContact CD1-CB 4.14Å; F810-A813 PolarHBondContact O-N 3.17Å
814T32.6Very low43.6Very low12 Ų1269.4 Ų69.47%0.07438%0.377CS..  trans-123.419.9-162.949.20000115.1I816 P836T814-I816 PolarHBondContact O-N 2.89Å; T814-P836 VanDerWaalsContact CG2-O 3.28Å; T814-P836 WeakPolarHBondContact CG2-O 3.5Å
815S33.7Very low42.2Very low22 Ų2278.2 Ų78.215%0.15441%0.408CS..  trans-7965.1171.148.20000111.6S817S815-S817 PolarHBondContact O-N 3.31Å
816I40.3Very low41Very low23 Ų2383.7 Ų83.712%0.11843%0.43CS..  trans-70.7117.4-168.7-54.4-179.5000112.2T814 I818 G835 F966 Q967 W1028T814-I816 PolarHBondContact O-N 2.89Å; I816-I818 HydrophobicContact CG2-CD1 4.17Å; I816-I818 HydrophobicContact CG2-CG1 3.94Å; I816-G835 WeakPolarHBondContact CD1-O 3.29Å; I816-F966 HydrophobicContact CB-CD1 4.35Å; I816-F966 HydrophobicContact CD1-CE1 4.39Å; I816-Q967 CarbonylContact C-O 3.3Å; I816-W1028 HydrophobicContact CD1-CZ2 3.8Å; I816-W1028 HydrophobicContact CG1-CZ2 4.01Å
817S36.4Very low39.7Very low49 Ų4988.4 Ų88.434%0.34345%0.452SS..  trans-97.2137.4173470000111.2S815 P969S815-S817 PolarHBondContact O-N 3.31Å; S817-P969 VanDerWaalsContact CB-CA 3.5Å
818I42.7Very low39.2Very low55 Ų5596.3 Ų96.328%0.28249%0.488SS..  trans-134143.3-174.5-52.6-175.9000111.3I816 H834 P969I816-I818 HydrophobicContact CG2-CD1 4.17Å; I816-I818 HydrophobicContact CG2-CG1 3.94Å; I818-H834 WeakPolarHBondContact CD1-ND1 3.49Å; I818-P969 WeakPolarHBondContact O-CG 3.22Å
819S41Very low38.9Very low48 Ų4899.3 Ų99.334%0.33650%0.499SS..  trans-82.2141.9179.2160.10000112.4Q821 D822S819-Q821 PolarHBondContact OG-N 2.76Å; S819-D822 WeakPolarHBondContact CB-OD2 3.12Å; S819-D822 PolarHBondContact OG-OD2 2.81Å
820E41.3Very low38.9Very low144 Ų144105.8 Ų105.867%0.67353%0.527SS*.SBendtrans-74.6-30-179.9-65.5179.1151.400113.2D822 A823 H943E820-D822 PolarHBondContact O-N 2.89Å; E820-A823 WeakPolarHBondContact O-CB 3.31Å; E820-A823 PolarHBondContact O-N 3.47Å; E820-H943 IonicContact OE1-CE1 2.64Å
821Q41.8Very low38.8Very low167 Ų167110.4 Ų110.478%0.7855%0.552SS**G310 helixtrans-74.8-26.7-174.3-66.2-175-7.200112.9S819 A823S819-Q821 PolarHBondContact OG-N 2.76Å; Q821-A823 PolarHBondContact O-N 2.83Å
822D43.3Very low39.4Very low107 Ų107111 Ų11157%0.57254%0.544SS*.G310 helixtrans-80-1.5-179.7-58.8-75.1000113.6S819 E820 K832S819-D822 WeakPolarHBondContact CB-OD2 3.12Å; S819-D822 PolarHBondContact OG-OD2 2.81Å; E820-D822 PolarHBondContact O-N 2.89Å; D822-K832 PolarHBondContact O-NZ 2.86Å
823A40.7Very low40.3Very low71 Ų71109 Ų10959%0.58754%0.536SS*.G310 helixtrans-85-31.5179.900000113.6E820 Q821E820-A823 WeakPolarHBondContact O-CB 3.31Å; E820-A823 PolarHBondContact O-N 3.47Å; Q821-A823 PolarHBondContact O-N 2.83Å
824Y36.8Very low41.2Very low217 Ų217109.8 Ų109.885%0.85154%0.535SS*.SBendtrans-107.92.4-168.7-75.1-79000115.4
825R34.6Very low42.5Very low199 Ų199109.6 Ų109.675%0.75154%0.535SS*.  trans-122.8108.4175.5-70.5-176.6176.2-178.5-1111.1
826H35.4Very low44Very low167 Ų167108.9 Ų108.977%0.77353%0.53SS*.SBendtrans154.3164.4140.6-85.4-66.4000111.1
827N33.3Very low45.5Very low142 Ų142107.8 Ų107.876%0.75952%0.524SS*.  trans-65.8155.6-162.4-542000113.4E829N827-E829 PolarHBondContact O-N 2.92Å
828E47Very low47.1Very low207 Ų207105.7 Ų105.797%0.96751%0.509SS*.THydrogen-bonded Turntrans-72.310.7-160.5-58.6-170.4113.200117.3
829E41.9Very low48.6Very low189 Ų189103.1 Ų103.188%0.88350%0.496SS*.THydrogen-bonded Turntrans-105.7-10.3-175.2-63.5-167.7139.700115.4N827N827-E829 PolarHBondContact O-N 2.92Å
830E39.9Very low50.1Low159 Ų159101.1 Ų101.174%0.74348%0.481SS*.  trans-91.9108175.9-76.6-159.1156.800113.6K832E830-K832 PolarHBondContact O-N 3.41Å
831I41Very low51.7Low130 Ų13094.3 Ų94.367%0.66745%0.449SS*.  trans-73.993.4172.8-53.5176.6000110.5L833I831-L833 PolarHBondContact O-N 2.89Å
832K48.9Very low52.9Low99 Ų9988.3 Ų88.343%0.4342%0.42SS..  trans-67.5108.3172-73174.5179.5165.30111.1D822 E830 H834D822-K832 PolarHBondContact O-NZ 2.86Å; E830-K832 PolarHBondContact O-N 3.41Å; K832-H834 PolarHBondContact O-CD2 3.04Å; K832-H834 VanDerWaalsContact O-CD2 3.25Å
833L52.7Low53.9Low57 Ų5783.2 Ų83.230%0.29839%0.392SS..  trans-84132.5172.2-72.5166.5000111.4I831 L891 W937 K939 L1024I831-L833 PolarHBondContact O-N 2.89Å; L833-L891 HydrophobicContact CD1-CD2 3.85Å; L833-L891 HydrophobicContact CD2-CB 4.38Å; L833-L891 HydrophobicContact CD2-CD2 4.19Å; L833-W937 HydrophobicContact CD2-CB 4.42Å; L833-K939 HydrophobicContact CD2-CG 3.9Å; L833-L1024 HydrophobicContact CD1-CD1 4.37Å; L833-L1024 HydrophobicContact CD1-CD2 4.44Å
834H59.1Low55.1Low42 Ų4282.5 Ų82.519%0.19438%0.376CS..EExtended strand (participates in β ladder)trans-110.4109.1-179.2-65.2-105.8000110.8I818 K832 L938 F941I818-H834 WeakPolarHBondContact CD1-ND1 3.49Å; K832-H834 PolarHBondContact O-CD2 3.04Å; K832-H834 VanDerWaalsContact O-CD2 3.25Å; H834-L938 HydrophobicContact CB-CB 4.43Å; H834-L938 PolarHBondContact N-O 2.94Å; H834-L938 PolarHBondContact O-N 2.94Å; H834-F941 HydrophobicContact CB-CB 3.89Å; H834-F941 HydrophobicContact CB-CD2 3.8Å; H834-F941 HydrophobicContact CB-CG 4.12Å; H834-F941 VanDerWaalsContact CG-CB 3.41Å; H834-F941 AromaticContact CG-CG 3.94Å; H834-F941 WeakPolarHBondContact ND1-CB 3.21Å; H834-F941 AromaticContact ND1-CG 3.73Å
835G61.2Low56.5Low7 Ų773.9 Ų73.97%0.07235%0.347CS..EExtended strand (participates in β ladder)trans154.3-165-174.400000112I816 W937I816-G835 WeakPolarHBondContact CD1-O 3.29Å; G835-W937 VanDerWaalsContact C-CD1 3.48Å
836P64.9Low58.1Low7 Ų768 Ų685%0.04533%0.333CS..EExtended strand (participates in β ladder)cis-95.5159.42.533.9-31.2000114.8T814 M935 L936 W937T814-P836 VanDerWaalsContact CG2-O 3.28Å; T814-P836 WeakPolarHBondContact CG2-O 3.5Å; P836-M935 HydrophobicContact CB-CB 4.38Å; P836-L936 CarbonylContact C-O 3.52Å; P836-L936 VanDerWaalsContact CA-O 3.26Å; P836-L936 WeakPolarHBondContact CA-O 3.38Å; P836-W937 HydrophobicContact CB-CD2 3.86Å; P836-W937 HydrophobicContact CB-CE3 4.3Å; P836-W937 HydrophobicContact CB-CG 4.31Å; P836-W937 HydrophobicContact CB-CH2 4.31Å; P836-W937 HydrophobicContact CB-CZ2 3.87Å; P836-W937 HydrophobicContact CB-CZ3 4.49Å; P836-W937 HydrophobicContact CG-CZ2 3.93Å
837L70.8Confident59.9Low0 Ų060.7 Ų60.70%030%0.299CS..EExtended strand (participates in β ladder)trans-93.2136.8157.3-57.2173.7000108.9W852 M935 L936 Y949 R964 F966L837-W852 HydrophobicContact CB-CH2 3.7Å; L837-W852 HydrophobicContact CB-CZ3 4.14Å; L837-M935 CarbonylContact O-C 3.54Å; L837-M935 VanDerWaalsContact O-CA 3.3Å; L837-M935 WeakPolarHBondContact O-CA 3.23Å; L837-L936 HydrophobicContact CB-CB 4.45Å; L837-L936 HydrophobicContact CD1-CD2 4.21Å; L837-L936 PolarHBondContact N-O 3.23Å; L837-L936 PolarHBondContact O-N 3.44Å; L837-Y949 HydrophobicContact CD1-CD1 4.05Å; L837-Y949 HydrophobicContact CD1-CD2 3.57Å; L837-Y949 HydrophobicContact CD1-CE2 4.2Å; L837-Y949 HydrophobicContact CD1-CG 3.51Å; L837-R964 HydrophobicContact CB-CB 4.47Å; L837-R964 HydrophobicContact CD2-CB 4.13Å; L837-F966 HydrophobicContact CD1-CD2 4.22Å; L837-F966 HydrophobicContact CD1-CE2 3.68Å; L837-F966 HydrophobicContact CD1-CZ 3.89Å; L837-F966 HydrophobicContact CD2-CD1 4.03Å; L837-F966 HydrophobicContact CD2-CD2 4.49Å; L837-F966 HydrophobicContact CD2-CE1 3.76Å; L837-F966 HydrophobicContact CD2-CE2 4.25Å; L837-F966 HydrophobicContact CD2-CG 4.39Å; L837-F966 HydrophobicContact CD2-CZ 3.89Å; L837-F966 HydrophobicContact CG-CE1 4.02Å; L837-F966 HydrophobicContact CG-CE2 3.97Å; L837-F966 HydrophobicContact CG-CZ 3.64Å
838F70.2Confident62Low6 Ų656.6 Ų56.63%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-131.8137.6-168.9178-96000114.4F810 Q840 F899 F933 T934 M935 R964F810-F838 HydrophobicContact CB-CD1 4.02Å; F810-F838 AromaticContact CD2-CD1 3.38Å; F810-F838 HydrophobicContact CD2-CD1 3.38Å; F810-F838 AromaticContact CD2-CE1 3.42Å; F810-F838 HydrophobicContact CD2-CE1 3.42Å; F810-F838 VanDerWaalsContact CD2-CE1 3.42Å; F810-F838 HydrophobicContact CD2-CG 4.47Å; F810-F838 AromaticContact CE2-CD1 3.95Å; F810-F838 HydrophobicContact CE2-CD1 3.95Å; F810-F838 AromaticContact CE2-CE1 3.62Å; F810-F838 HydrophobicContact CE2-CE1 3.62Å; F810-F838 HydrophobicContact CE2-CZ 4.36Å; F810-F838 AromaticContact CG-CD1 3.86Å; F810-F838 HydrophobicContact CG-CD1 3.86Å; F810-F838 HydrophobicContact CG-CE1 4.34Å; F838-Q840 HydrophobicContact CE1-CB 4.17Å; F838-Q840 HydrophobicContact CE1-CG 3.97Å; F838-Q840 HydrophobicContact CZ-CB 4.15Å; F838-Q840 HydrophobicContact CZ-CG 4.38Å; F838-F899 HydrophobicContact CE2-CB 4.45Å; F838-F899 AromaticContact CE2-CD2 3.42Å; F838-F899 HydrophobicContact CE2-CD2 3.42Å; F838-F899 VanDerWaalsContact CE2-CD2 3.42Å; F838-F899 AromaticContact CE2-CE2 3.76Å; F838-F899 HydrophobicContact CE2-CE2 3.76Å; F838-F899 HydrophobicContact CE2-CG 4.04Å; F838-F899 HydrophobicContact CZ-CB 3.8Å; F838-F899 AromaticContact CZ-CD2 3.57Å; F838-F899 HydrophobicContact CZ-CD2 3.57Å; F838-F899 HydrophobicContact CZ-CE2 4.36Å; F838-F899 AromaticContact CZ-CG 3.9Å; F838-F899 HydrophobicContact CZ-CG 3.9Å; F838-F933 HydrophobicContact CE2-CB 3.74Å; F838-F933 HydrophobicContact CE2-CD2 4.11Å; F838-F933 HydrophobicContact CE2-CG 4.21Å; F838-F933 HydrophobicContact CZ-CB 3.92Å; F838-T934 WeakPolarHBondContact CA-O 3.35Å; F838-M935 HydrophobicContact CD2-CE 3.69Å; F838-M935 HydrophobicContact CD2-CG 3.63Å; F838-M935 HydrophobicContact CE2-CE 3.96Å; F838-M935 HydrophobicContact CE2-CG 4.29Å; F838-R964 PolarHBondContact O-NE 2.95Å; F838-R964 PolarHBondContact O-NH2 2.99Å
839C75.7Confident63.7Low0 Ų048.1 Ų48.10%024%0.238CC..EExtended strand (participates in β ladder)trans-142156.3175-56.70000113.9F841 F933 T934 C951C839-F841 HydrophobicContact CB-CE2 4.16Å; C839-F841 HydrophobicContact CB-CZ 4.18Å; C839-F933 CarbonylContact O-C 2.97Å; C839-F933 VanDerWaalsContact O-CA 3.29Å; C839-F933 WeakPolarHBondContact O-CA 3.3Å; C839-T934 HydrophobicContact CB-CG2 4.09Å; C839-T934 PolarHBondContact N-O 2.82Å; C839-T934 PolarHBondContact O-N 2.03Å; C839-C951 HydrophobicContact CB-CB 3.71Å; C839-C951 WeakPolarHBondContact CB-SG 3.27Å; C839-C951 WeakPolarHBondContact SG-CB 3.47Å; C839-C951 CovalentContact SG-SG 2.02Å; C839-C951 PolarHBondContact SG-SG 2.87Å
840Q71.7Confident65.8Low6 Ų639.1 Ų39.13%0.02820%0.196CC..EExtended strand (participates in β ladder)trans-152.6151.6178.959.3176.91200115.5I807 I808 F838 A898 F899 M932I807-Q840 HydrophobicContact CB-CG 4.05Å; I807-Q840 PolarHBondContact N-O 2.91Å; I808-Q840 PolarHBondContact O-NE2 2.78Å; F838-Q840 HydrophobicContact CE1-CB 4.17Å; F838-Q840 HydrophobicContact CE1-CG 3.97Å; F838-Q840 HydrophobicContact CZ-CB 4.15Å; F838-Q840 HydrophobicContact CZ-CG 4.38Å; Q840-A898 HydrophobicContact CB-CB 3.99Å; Q840-F899 VanDerWaalsContact OE1-N 3.09Å; Q840-F899 PolarHBondContact OE1-O 3.45Å; Q840-F899 VanDerWaalsContact OE1-O 3.08Å; Q840-M932 VanDerWaalsContact CA-O 3.27Å; Q840-M932 WeakPolarHBondContact CA-O 3.28Å
841F74.5Confident68Low1 Ų133.6 Ų33.60%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-147.2159-169.7-48.5-84.3000112.8I807 C839 L847 T931 M932 S953 F960 E962I807-F841 WeakPolarHBondContact CD1-O 3.33Å; C839-F841 HydrophobicContact CB-CE2 4.16Å; C839-F841 HydrophobicContact CB-CZ 4.18Å; F841-L847 HydrophobicContact CB-CD1 3.72Å; F841-T931 VanDerWaalsContact O-CA 3.26Å; F841-T931 WeakPolarHBondContact O-CA 3.39Å; F841-M932 PolarHBondContact N-O 2.95Å; F841-M932 PolarHBondContact O-N 3.05Å; F841-S953 VanDerWaalsContact CD1-OG 3.32Å; F841-S953 WeakPolarHBondContact CD1-OG 3.33Å; F841-S953 WeakPolarHBondContact CD2-OG 3.28Å; F841-S953 WeakPolarHBondContact CG-OG 3.23Å; F841-F960 HydrophobicContact CD1-CD1 4.07Å; F841-F960 HydrophobicContact CE1-CD1 4.04Å; F841-E962 HydrophobicContact CE1-CG 4.43Å
842Y67.6Low70.3Confident41 Ų4127.4 Ų27.416%0.16114%0.137CC..EExtended strand (participates in β ladder)trans-131.5149.4174.7167.5-93000111.3P804 T805 T927 F930 T931P804-Y842 CarbonylContact C-O 3.41Å; P804-Y842 WeakPolarHBondContact CA-O 3.27Å; T805-Y842 PolarHBondContact N-O 3.33Å; T805-Y842 PolarHBondContact O-N 2.85Å; Y842-T927 HydrophobicContact CE2-CG2 3.83Å; Y842-F930 CarbonylContact C-O 3.12Å; Y842-F930 VanDerWaalsContact CA-O 3.24Å; Y842-F930 WeakPolarHBondContact CA-O 3.25Å; Y842-F930 HydrophobicContact CD2-CB 3.79Å; Y842-F930 HydrophobicContact CE2-CB 3.58Å; Y842-F930 HydrophobicContact CE2-CD2 4.44Å; Y842-F930 HydrophobicContact CE2-CG 4.37Å; Y842-T931 HydrophobicContact CD2-CG2 3.99Å
843G65.1Low72Confident0 Ų025.2 Ų25.20%013%0.127CC..EExtended strand (participates in β ladder)trans-180149.3166.300000115.1P845 F930G843-P845 CarbonylContact C-O 3.42Å; G843-P845 VanDerWaalsContact C-O 3.23Å; G843-P845 CarbonylContact O-C 3.16Å; G843-P845 VanDerWaalsContact O-C 3.3Å; G843-F930 PolarHBondContact N-O 2.72Å; G843-F930 WeakPolarHBondContact O-CB 2.99Å; G843-F930 VanDerWaalsContact O-CD1 3.25Å; G843-F930 WeakPolarHBondContact O-CD1 3.35Å
844K64.5Low73.5Confident57 Ų5726 Ų2625%0.24813%0.125CC..EExtended strand (participates in β ladder)trans-123.193.4-175.8-177.4-174.7-174.7-1700111.1V800 K802 F930V800-K844 WeakPolarHBondContact O-CE 3.28Å; V800-K844 PolarHBondContact O-NZ 3.01Å; K802-K844 CarbonylContact C-O 3.5Å; K802-K844 PolarHBondContact N-O 2.76Å; K802-K844 CarbonylContact O-C 3.57Å; K802-K844 VanDerWaalsContact O-C 3.24Å; K802-K844 WeakPolarHBondContact O-CA 3.36Å; K802-K844 PolarHBondContact O-N 2.93Å; K844-F930 HydrophobicContact CB-CD1 4.04Å; K844-F930 HydrophobicContact CB-CE1 4.16Å; K844-F930 HydrophobicContact CB-CG 4.28Å; K844-F930 HydrophobicContact CB-CZ 4.48Å; K844-F930 HydrophobicContact CD-CE2 4.43Å; K844-F930 HydrophobicContact CD-CZ 4.32Å; K844-F930 HydrophobicContact CG-CD1 4.2Å; K844-F930 HydrophobicContact CG-CE1 3.79Å; K844-F930 HydrophobicContact CG-CE2 4.24Å; K844-F930 HydrophobicContact CG-CZ 3.82Å
845P65.6Low74.4Confident36 Ų3625 Ų2523%0.23412%0.12CC..SBendcis-89.7173.52933.3-36.8000115.3G843 N955 E956 I957G843-P845 CarbonylContact C-O 3.42Å; G843-P845 VanDerWaalsContact C-O 3.23Å; G843-P845 CarbonylContact O-C 3.16Å; G843-P845 VanDerWaalsContact O-C 3.3Å; P845-N955 WeakPolarHBondContact O-CB 3.01Å; P845-N955 PolarHBondContact O-ND2 2.98Å; P845-E956 HydrophobicContact CG-CB 4.1Å; P845-E956 HydrophobicContact CG-CG 4.39Å; P845-E956 WeakPolarHBondContact CG-OE2 3.05Å; P845-I957 VanDerWaalsContact CD-CD1 3.48Å
846V69.3Low74.9Confident75 Ų7528.5 Ų28.546%0.45514%0.14SC..PPolyproline II helixtrans-57.4147.4-170.7-171.40000113.2F930 N955V846-F930 HydrophobicContact CG2-CD1 3.88Å; V846-F930 HydrophobicContact CG2-CE1 3.97Å; V846-N955 WeakPolarHBondContact O-CB 3.2Å
847L73.3Confident74.9Confident13 Ų1329 Ų297%0.06815%0.147CC..PPolyproline II helixtrans-73.1137.6178.6-57.3162.5000111.3P804 F841 M932 K954 N955P804-L847 HydrophobicContact CB-CD2 4.14Å; P804-L847 HydrophobicContact CG-CD2 4.27Å; F841-L847 HydrophobicContact CB-CD1 3.72Å; L847-M932 HydrophobicContact CD1-CB 3.89Å; L847-K954 CarbonylContact C-O 3.54Å; L847-K954 VanDerWaalsContact CA-O 3.29Å; L847-K954 WeakPolarHBondContact CA-O 3.25Å; L847-N955 HydrophobicContact CD2-CB 4.33Å
848N78.1Confident74.1Confident56 Ų5637.3 Ų37.330%0.29919%0.191SC..  trans-125.6-9.2-167.963.512000116.6N877 K954N848-N877 PolarHBondContact O-N 2.79Å; N848-K954 PolarHBondContact N-O 2.82Å; N848-K954 PolarHBondContact OD1-O 3.05Å; N848-K954 VanDerWaalsContact OD1-O 3.06Å
849Q82.5Confident73.3Confident30 Ų3041.8 Ų41.814%0.1422%0.215CC..EExtended strand (participates in β ladder)trans-143.4139.5-177.1173.7-174.971.100110.8E876 S953 K954Q849-E876 HydrophobicContact CB-CG 4.02Å; Q849-E876 HydrophobicContact CG-CG 3.77Å; Q849-E876 PolarHBondContact NE2-OE1 2.84Å; Q849-S953 WeakPolarHBondContact O-CA 3.34Å; Q849-K954 HydrophobicContact CB-CB 4.3Å; Q849-K954 PolarHBondContact O-N 2.77Å
850I85.5Confident72Confident0 Ų044.7 Ų44.70%023%0.226CC..EExtended strand (participates in β ladder)trans-126.9143.6167.2-70.2-169.9000111.5T875 F878 T894 M932 T934 Q952I850-T875 HydrophobicContact CB-CG2 4.31Å; I850-T875 PolarHBondContact N-O 2.84Å; I850-T875 PolarHBondContact O-N 2.91Å; I850-T875 VanDerWaalsContact O-O 3.09Å; I850-F878 HydrophobicContact CB-CE2 4.49Å; I850-F878 HydrophobicContact CB-CZ 3.82Å; I850-F878 HydrophobicContact CG1-CE2 4.25Å; I850-F878 HydrophobicContact CG1-CZ 3.98Å; I850-T894 HydrophobicContact CD1-CG2 4.26Å; I850-T894 HydrophobicContact CG2-CG2 4.44Å; I850-M932 HydrophobicContact CD1-CE 3.54Å; I850-M932 HydrophobicContact CD1-CG 4.13Å; I850-M932 HydrophobicContact CD1-SD 3.58Å; I850-M932 VanDerWaalsContact CD1-SD 3.58Å; I850-M932 HydrophobicContact CG1-CE 4.17Å; I850-M932 HydrophobicContact CG1-SD 4.03Å; I850-T934 HydrophobicContact CD1-CG2 4.28Å; I850-T934 HydrophobicContact CG2-CG2 4.27Å; I850-Q952 VanDerWaalsContact CA-O 3.29Å; I850-Q952 WeakPolarHBondContact CA-O 3.4Å
851K86.8Confident71Confident42 Ų4251.6 Ų51.618%0.18326%0.258CS..EExtended strand (participates in β ladder)trans-134140.5169.5-63175.1-174.8167.50111.5W853 L871 Y873 K874 C951 Q952K851-W853 HydrophobicContact CD-CZ2 3.96Å; K851-L871 HydrophobicContact CB-CD1 4.02Å; K851-L871 HydrophobicContact CD-CD1 4.34Å; K851-L871 HydrophobicContact CG-CD1 4.25Å; K851-Y873 WeakPolarHBondContact CA-O 3.36Å; K851-K874 HydrophobicContact CG-CB 4.23Å; K851-K874 HydrophobicContact CG-CG 4.17Å; K851-C951 WeakPolarHBondContact O-CA 3.36Å; K851-Q952 HydrophobicContact CB-CB 4.48Å; K851-Q952 PolarHBondContact N-O 3.17Å; K851-Q952 VanDerWaalsContact N-O 3.09Å; K851-Q952 PolarHBondContact O-N 3.35Å
852W87.8Confident69.6Low0 Ų057.7 Ų57.70%029%0.287CS..EExtended strand (participates in β ladder)trans-113.4138165-83.3102.3000110.6L837 I872 Y873 T934 L936 K950 C951L837-W852 HydrophobicContact CB-CH2 3.7Å; L837-W852 HydrophobicContact CB-CZ3 4.14Å; W852-I872 HydrophobicContact CB-CD1 4.17Å; W852-I872 HydrophobicContact CB-CG1 3.9Å; W852-I872 VanDerWaalsContact O-CG1 3.31Å; W852-I872 WeakPolarHBondContact O-CG1 3.33Å; W852-I872 PolarHBondContact O-N 2.98Å; W852-Y873 PolarHBondContact N-O 2.85Å; W852-Y873 PolarHBondContact O-N 2.89Å; W852-T934 HydrophobicContact CZ2-CG2 3.8Å; W852-T934 PolarHBondContact NE1-OG1 3.04Å; W852-L936 HydrophobicContact CD2-CB 4.33Å; W852-L936 HydrophobicContact CD2-CD2 3.85Å; W852-L936 HydrophobicContact CE3-CD2 3.8Å; W852-L936 HydrophobicContact CG-CD2 4.25Å; W852-L936 HydrophobicContact CH2-CB 4.45Å; W852-L936 HydrophobicContact CZ2-CB 3.99Å; W852-L936 HydrophobicContact CZ3-CD2 4.21Å; W852-K950 CarbonylContact C-O 3.5Å; W852-K950 VanDerWaalsContact CA-O 3.31Å; W852-K950 WeakPolarHBondContact CA-O 3.48Å; W852-C951 HydrophobicContact CD2-CB 4.07Å; W852-C951 HydrophobicContact CE3-CB 3.97Å; W852-C951 HydrophobicContact CH2-CB 4.02Å; W852-C951 HydrophobicContact CZ2-CB 4.11Å; W852-C951 HydrophobicContact CZ3-CB 3.94Å
853W85.2Confident68.5Low54 Ų5464.3 Ų64.321%0.20532%0.319CS..EExtended strand (participates in β ladder)trans-126.6142.5178.8-47.475.8000110.7K851 W869 E870 L871 Y949 K950K851-W853 HydrophobicContact CD-CZ2 3.96Å; W853-W869 HydrophobicContact CB-CD2 4.48Å; W853-W869 HydrophobicContact CB-CE3 3.66Å; W853-W869 HydrophobicContact CB-CZ3 4.31Å; W853-W869 HydrophobicContact CE3-CB 4.09Å; W853-E870 CarbonylContact C-O 3.42Å; W853-E870 WeakPolarHBondContact CA-O 3.28Å; W853-L871 HydrophobicContact CD2-CB 4.46Å; W853-L871 HydrophobicContact CD2-CD1 3.87Å; W853-L871 HydrophobicContact CE3-CB 3.8Å; W853-L871 HydrophobicContact CE3-CD1 4.03Å; W853-L871 HydrophobicContact CG-CD1 4.48Å; W853-L871 HydrophobicContact CH2-CB 4.45Å; W853-L871 HydrophobicContact CH2-CD1 4.14Å; W853-L871 HydrophobicContact CZ2-CD1 3.99Å; W853-L871 HydrophobicContact CZ3-CB 3.8Å; W853-L871 HydrophobicContact CZ3-CD1 4.16Å; W853-Y949 CarbonylContact O-C 3.59Å; W853-Y949 WeakPolarHBondContact O-CA 3.41Å; W853-K950 HydrophobicContact CB-CB 4.21Å; W853-K950 PolarHBondContact N-O 3.01Å; W853-K950 PolarHBondContact O-N 3.27Å
854R83.3Confident67.6Low72 Ų7271.7 Ų71.727%0.27236%0.359SS..EExtended strand (participates in β ladder)trans-99.4137.6167.6177.717069.4169.9-2.1109.3E870 I872 D945 Y949R854-E870 IonicContact CZ-OE2 3.83Å; R854-E870 PolarHBondContact N-O 3.42Å; R854-E870 IonicContact NE-OE2 3.66Å; R854-E870 PolarHBondContact NE-OE2 2.9Å; R854-E870 IonicContact NH2-OE1 3.07Å; R854-E870 PolarHBondContact NH2-OE1 3.15Å; R854-E870 IonicContact NH2-OE2 3.52Å; R854-E870 PolarHBondContact NH2-OE2 2.74Å; R854-E870 PolarHBondContact O-N 2.8Å; R854-I872 HydrophobicContact CB-CD1 4.42Å; R854-I872 HydrophobicContact CB-CG2 3.58Å; R854-D945 IonicContact NH1-OD1 3.55Å; R854-D945 PolarHBondContact NH1-OD1 3.04Å; R854-Y949 HydrophobicContact CB-CD1 4.16Å; R854-Y949 HydrophobicContact CB-CE1 3.9Å; R854-Y949 HydrophobicContact CG-CE1 3.93Å
855Y79.8Confident66.7Low23 Ų2372.1 Ų72.19%0.0937%0.366CS..EExtended strand (participates in β ladder)trans-85.5125.4170.7-178.5-109000110G857 N859 Y860 Q868 W869 Y948Y855-G857 VanDerWaalsContact CE1-C 3.48Å; Y855-G857 WeakPolarHBondContact CE1-O 3.23Å; Y855-N859 PolarHBondContact OH-O 2.92Å; Y855-N859 VanDerWaalsContact OH-O 3.11Å; Y855-Y860 HydrophobicContact CD1-CD2 4.21Å; Y855-Y860 HydrophobicContact CD2-CD2 4.44Å; Y855-Y860 HydrophobicContact CE1-CD2 4.42Å; Y855-Y860 HydrophobicContact CG-CD2 4.21Å; Y855-Y860 PolarHBondContact OH-N 2.79Å; Y855-Q868 WeakPolarHBondContact CA-O 3.21Å; Y855-Q868 HydrophobicContact CD2-CB 4.1Å; Y855-Q868 WeakPolarHBondContact CD2-O 3.09Å; Y855-Q868 HydrophobicContact CE2-CB 3.63Å; Y855-Q868 VanDerWaalsContact CE2-OE1 3.29Å; Y855-Q868 VanDerWaalsContact CZ-OE1 3.28Å; Y855-Q868 PolarHBondContact OH-OE1 2.96Å; Y855-W869 HydrophobicContact CD2-CD2 4.26Å; Y855-W869 HydrophobicContact CD2-CZ2 4.23Å; Y855-Y948 VanDerWaalsContact CB-O 3.3Å; Y855-Y948 WeakPolarHBondContact CB-O 3.41Å; Y855-Y948 PolarHBondContact N-O 3.26Å
856T70.6Confident66.1Low79 Ų7975.4 Ų75.449%0.48539%0.387SS..  trans-107.8-3.9-176.556.90000113.8Q868 E870T856-Q868 PolarHBondContact N-O 3.23Å; T856-Q868 PolarHBondContact OG1-O 2.75Å; T856-E870 HydrophobicContact CG2-CB 3.84Å; T856-E870 WeakPolarHBondContact CG2-OE2 3.25Å
857G64.2Low65.4Low19 Ų1979.3 Ų79.320%0.19641%0.406CS..SBendtrans-76162.1176.700000113.7Y855Y855-G857 VanDerWaalsContact CE1-C 3.48Å; Y855-G857 WeakPolarHBondContact CE1-O 3.23Å
858L55.6Low65Low174 Ų17481.4 Ų81.491%0.91142%0.415SS*.SBendtrans-77.2-33.3-179.9-66.3169.9000113
859N52Low65Low100 Ų10081.2 Ų81.254%0.53541%0.41SS..  trans-132.691.2-171.4-82.3-16.1000112.5Y855 H861 E862Y855-N859 PolarHBondContact OH-O 2.92Å; Y855-N859 VanDerWaalsContact OH-O 3.11Å; N859-H861 PolarHBondContact O-N 3.43Å; N859-E862 PolarHBondContact O-N 3.2Å
860Y49.2Very low65Low61 Ų6183.7 Ų83.724%0.23942%0.422CS..THydrogen-bonded Turntrans-55.1-23.2179.4178.3-90.8000115.3Y855 E862 W869 Y948Y855-Y860 HydrophobicContact CD1-CD2 4.21Å; Y855-Y860 HydrophobicContact CD2-CD2 4.44Å; Y855-Y860 HydrophobicContact CE1-CD2 4.42Å; Y855-Y860 HydrophobicContact CG-CD2 4.21Å; Y855-Y860 PolarHBondContact OH-N 2.79Å; Y860-E862 VanDerWaalsContact C-N 3.28Å; Y860-E862 PolarHBondContact O-N 3.19Å; Y860-W869 HydrophobicContact CD2-CZ2 4.35Å; Y860-W869 AromaticContact CE2-CH2 3.9Å; Y860-W869 HydrophobicContact CE2-CH2 3.9Å; Y860-W869 AromaticContact CE2-CZ2 3.72Å; Y860-W869 HydrophobicContact CE2-CZ2 3.72Å; Y860-Y948 AromaticContact CD1-CD1 3.75Å; Y860-Y948 HydrophobicContact CD1-CD1 3.75Å; Y860-Y948 HydrophobicContact CD1-CD2 4.34Å; Y860-Y948 AromaticContact CD1-CE1 3.31Å; Y860-Y948 HydrophobicContact CD1-CE1 3.31Å; Y860-Y948 AromaticContact CD1-CE2 3.99Å; Y860-Y948 HydrophobicContact CD1-CE2 3.99Å; Y860-Y948 HydrophobicContact CD1-CG 4.23Å; Y860-Y948 AromaticContact CD1-CZ 3.42Å; Y860-Y948 VanDerWaalsContact CD1-CZ 3.42Å; Y860-Y948 AromaticContact CD2-CD1 3.47Å; Y860-Y948 HydrophobicContact CD2-CD1 3.47Å; Y860-Y948 VanDerWaalsContact CD2-CD1 3.47Å; Y860-Y948 AromaticContact CD2-CD2 3.67Å; Y860-Y948 HydrophobicContact CD2-CD2 3.67Å; Y860-Y948 AromaticContact CD2-CE1 3.94Å; Y860-Y948 HydrophobicContact CD2-CE1 3.94Å; Y860-Y948 HydrophobicContact CD2-CE2 4.14Å; Y860-Y948 AromaticContact CD2-CG 3.29Å; Y860-Y948 HydrophobicContact CD2-CG 3.29Å; Y860-Y948 AromaticContact CE1-CD1 3.74Å; Y860-Y948 HydrophobicContact CE1-CD1 3.74Å; Y860-Y948 AromaticContact CE1-CE1 3.46Å; Y860-Y948 HydrophobicContact CE1-CE1 3.46Å; Y860-Y948 VanDerWaalsContact CE1-CE1 3.46Å; Y860-Y948 AromaticContact CE2-CD1 3.42Å; Y860-Y948 HydrophobicContact CE2-CD1 3.42Å; Y860-Y948 VanDerWaalsContact CE2-CD1 3.42Å; Y860-Y948 HydrophobicContact CE2-CD2 4.44Å; Y860-Y948 HydrophobicContact CE2-CE1 4.03Å; Y860-Y948 AromaticContact CE2-CG 3.64Å; Y860-Y948 HydrophobicContact CE2-CG 3.64Å; Y860-Y948 AromaticContact CG-CD1 3.62Å; Y860-Y948 HydrophobicContact CG-CD1 3.62Å; Y860-Y948 AromaticContact CG-CD2 3.59Å; Y860-Y948 HydrophobicContact CG-CD2 3.59Å; Y860-Y948 AromaticContact CG-CE1 3.57Å; Y860-Y948 HydrophobicContact CG-CE1 3.57Å; Y860-Y948 AromaticContact CG-CE2 3.57Å; Y860-Y948 HydrophobicContact CG-CE2 3.57Å; Y860-Y948 AromaticContact CG-CG 3.61Å; Y860-Y948 HydrophobicContact CG-CG 3.61Å; Y860-Y948 AromaticContact CG-CZ 3.52Å; Y860-Y948 AromaticContact CZ-CD1 3.57Å; Y860-Y948 AromaticContact CZ-CE1 3.82Å
861H50.1Low64.9Low150 Ų15087.3 Ų87.369%0.69444%0.441SS*.THydrogen-bonded Turntrans-78.4-6-175.8-72.7-78.7000114.3N859 Q863 Y948N859-H861 PolarHBondContact O-N 3.43Å; H861-Q863 PolarHBondContact O-N 2.85Å; H861-Y948 PolarHBondContact NE2-OH 2.8Å
862E46.1Very low64.8Low130 Ų13087.1 Ų87.161%0.60744%0.441SS*.SBendtrans-88.288.5169.3-71.9169.5-147.400110N859 Y860 N864N859-E862 PolarHBondContact O-N 3.2Å; Y860-E862 VanDerWaalsContact C-N 3.28Å; Y860-E862 PolarHBondContact O-N 3.19Å; E862-N864 PolarHBondContact O-N 3.43Å
863Q44.4Very low64.6Low180 Ų18087.9 Ų87.984%0.84144%0.444SS*.THydrogen-bonded Turntrans-64-6.1-159.6-67-175.7-5700117.8H861H861-Q863 PolarHBondContact O-N 2.85Å
864N46.2Very low64.6Low155 Ų15589.9 Ų89.983%0.82945%0.454SS*.THydrogen-bonded Turntrans-126.632.5-159.4-85.7-27.4000116.7E862E862-N864 PolarHBondContact O-N 3.43Å
865T44.6Very low64.5Low66 Ų6687.5 Ų87.541%0.40545%0.448SS..  trans-114.8108.9166.958.50000112.2N867 Q868T865-N867 PolarHBondContact O-N 3.37Å; T865-Q868 PolarHBondContact OG1-NE2 2.74Å; T865-Q868 PolarHBondContact OG1-OE1 3.24Å
866P53.1Low64.4Low105 Ų10590.3 Ų90.368%0.68246%0.462SS*.G310 helixtrans-70.2-29.4-173.325.6-33.3000113.5Q868P866-Q868 PolarHBondContact O-N 2.8Å; P866-Q868 VanDerWaalsContact O-N 3.14Å
867N55Low64.3Low157 Ų15793.2 Ų93.284%0.8448%0.475SS*.G310 helixtrans-78.16.3-171.5-63.62.1000114.5T865T865-N867 PolarHBondContact O-N 3.37Å
868Q65.4Low64.2Low57 Ų5794.7 Ų94.727%0.26648%0.475SS..G310 helixtrans-97.87.7177.6-64.2-176.4-7.200113.6Y855 T856 T865 P866Y855-Q868 WeakPolarHBondContact CA-O 3.21Å; Y855-Q868 HydrophobicContact CD2-CB 4.1Å; Y855-Q868 WeakPolarHBondContact CD2-O 3.09Å; Y855-Q868 HydrophobicContact CE2-CB 3.63Å; Y855-Q868 VanDerWaalsContact CE2-OE1 3.29Å; Y855-Q868 VanDerWaalsContact CZ-OE1 3.28Å; Y855-Q868 PolarHBondContact OH-OE1 2.96Å; T856-Q868 PolarHBondContact N-O 3.23Å; T856-Q868 PolarHBondContact OG1-O 2.75Å; T865-Q868 PolarHBondContact OG1-NE2 2.74Å; T865-Q868 PolarHBondContact OG1-OE1 3.24Å; P866-Q868 PolarHBondContact O-N 2.8Å; P866-Q868 VanDerWaalsContact O-N 3.14Å
869W77.8Confident64.3Low52 Ų5293 Ų9320%0.19747%0.468CS..EExtended strand (participates in β ladder)trans-108.2103.9174.9-73.1100.5000111.4W853 Y855 Y860 K950 T963W853-W869 HydrophobicContact CB-CD2 4.48Å; W853-W869 HydrophobicContact CB-CE3 3.66Å; W853-W869 HydrophobicContact CB-CZ3 4.31Å; W853-W869 HydrophobicContact CE3-CB 4.09Å; Y855-W869 HydrophobicContact CD2-CD2 4.26Å; Y855-W869 HydrophobicContact CD2-CZ2 4.23Å; Y860-W869 HydrophobicContact CD2-CZ2 4.35Å; Y860-W869 AromaticContact CE2-CH2 3.9Å; Y860-W869 HydrophobicContact CE2-CH2 3.9Å; Y860-W869 AromaticContact CE2-CZ2 3.72Å; Y860-W869 HydrophobicContact CE2-CZ2 3.72Å; W869-K950 HydrophobicContact CE3-CB 4.04Å; W869-K950 HydrophobicContact CH2-CB 3.66Å; W869-K950 HydrophobicContact CZ2-CB 4.38Å; W869-K950 HydrophobicContact CZ2-CD 4.48Å; W869-K950 HydrophobicContact CZ3-CB 3.47Å; W869-K950 VanDerWaalsContact CZ3-CB 3.47Å; W869-T963 HydrophobicContact CH2-CG2 4.43Å
870E81.4Confident64.5Low81 Ų8197.8 Ų97.838%0.37948%0.483SS..EExtended strand (participates in β ladder)trans-78.6127.2172.6-179.2-175.5-160.100109.9W853 R854 T856 I872W853-E870 CarbonylContact C-O 3.42Å; W853-E870 WeakPolarHBondContact CA-O 3.28Å; R854-E870 IonicContact CZ-OE2 3.83Å; R854-E870 PolarHBondContact N-O 3.42Å; R854-E870 IonicContact NE-OE2 3.66Å; R854-E870 PolarHBondContact NE-OE2 2.9Å; R854-E870 IonicContact NH2-OE1 3.07Å; R854-E870 PolarHBondContact NH2-OE1 3.15Å; R854-E870 IonicContact NH2-OE2 3.52Å; R854-E870 PolarHBondContact NH2-OE2 2.74Å; R854-E870 PolarHBondContact O-N 2.8Å; T856-E870 HydrophobicContact CG2-CB 3.84Å; T856-E870 WeakPolarHBondContact CG2-OE2 3.25Å; E870-I872 HydrophobicContact CG-CG2 4.3Å; E870-I872 PolarHBondContact O-N 2.83Å
871L85.1Confident64.9Low76 Ų7697.7 Ų97.740%0.39849%0.492SS..EExtended strand (participates in β ladder)trans-76.4107.9173-178.271.2000108.8K851 W853 Y873 K874K851-L871 HydrophobicContact CB-CD1 4.02Å; K851-L871 HydrophobicContact CD-CD1 4.34Å; K851-L871 HydrophobicContact CG-CD1 4.25Å; W853-L871 HydrophobicContact CD2-CB 4.46Å; W853-L871 HydrophobicContact CD2-CD1 3.87Å; W853-L871 HydrophobicContact CE3-CB 3.8Å; W853-L871 HydrophobicContact CE3-CD1 4.03Å; W853-L871 HydrophobicContact CG-CD1 4.48Å; W853-L871 HydrophobicContact CH2-CB 4.45Å; W853-L871 HydrophobicContact CH2-CD1 4.14Å; W853-L871 HydrophobicContact CZ2-CD1 3.99Å; W853-L871 HydrophobicContact CZ3-CB 3.8Å; W853-L871 HydrophobicContact CZ3-CD1 4.16Å; L871-Y873 WeakPolarHBondContact CD1-O 3.44Å; L871-K874 HydrophobicContact CD1-CB 4.39Å; L871-K874 HydrophobicContact CD2-CB 4.1Å; L871-K874 HydrophobicContact CD2-CD 4.44Å
872I83.1Confident65.5Low38 Ų3891.6 Ų91.620%0.19546%0.464CS..EExtended strand (participates in β ladder)trans-91-21-179.957.6169.3000113W852 R854 E870 L890 L936 Y949W852-I872 HydrophobicContact CB-CD1 4.17Å; W852-I872 HydrophobicContact CB-CG1 3.9Å; W852-I872 VanDerWaalsContact O-CG1 3.31Å; W852-I872 WeakPolarHBondContact O-CG1 3.33Å; W852-I872 PolarHBondContact O-N 2.98Å; R854-I872 HydrophobicContact CB-CD1 4.42Å; R854-I872 HydrophobicContact CB-CG2 3.58Å; E870-I872 HydrophobicContact CG-CG2 4.3Å; E870-I872 PolarHBondContact O-N 2.83Å; I872-L890 HydrophobicContact CB-CD1 4.33Å; I872-L936 HydrophobicContact CD1-CD2 3.68Å; I872-Y949 HydrophobicContact CD1-CD1 3.81Å; I872-Y949 HydrophobicContact CD1-CE1 3.92Å
873Y85.1Confident66.4Low17 Ų1789.5 Ų89.57%0.06745%0.454CS..EExtended strand (participates in β ladder)trans-163.3142.6179.1174.7-104.1000112.1K851 W852 L871 T875 E885 I892 T894K851-Y873 WeakPolarHBondContact CA-O 3.36Å; W852-Y873 PolarHBondContact N-O 2.85Å; W852-Y873 PolarHBondContact O-N 2.89Å; L871-Y873 WeakPolarHBondContact CD1-O 3.44Å; Y873-T875 HydrophobicContact CD1-CG2 4.07Å; Y873-T875 HydrophobicContact CE1-CG2 3.22Å; Y873-T875 HydrophobicContact CE2-CG2 4.45Å; Y873-T875 VanDerWaalsContact CZ-CG2 3.48Å; Y873-E885 HydrophobicContact CE2-CB 4.15Å; Y873-E885 WeakPolarHBondContact CE2-OE2 3.19Å; Y873-E885 PolarHBondContact OH-OE2 2.94Å; Y873-I892 HydrophobicContact CD1-CD1 3.79Å; Y873-I892 HydrophobicContact CD1-CG2 4.02Å; Y873-I892 HydrophobicContact CD2-CD1 3.52Å; Y873-I892 HydrophobicContact CE1-CB 4.44Å; Y873-I892 HydrophobicContact CE1-CD1 4.22Å; Y873-I892 HydrophobicContact CE1-CG2 3.49Å; Y873-I892 VanDerWaalsContact CE1-CG2 3.49Å; Y873-I892 HydrophobicContact CE2-CB 4.4Å; Y873-I892 HydrophobicContact CE2-CD1 3.98Å; Y873-I892 HydrophobicContact CE2-CG2 4.25Å; Y873-I892 HydrophobicContact CG-CD1 3.37Å; Y873-T894 HydrophobicContact CE1-CG2 4.19Å
874K84.5Confident67.5Low96 Ų9683.6 Ų83.642%0.41743%0.428SS..EExtended strand (participates in β ladder)trans-145.5135.7178167.8-178.3177.8-77.20108.9K851 L871 E876K851-K874 HydrophobicContact CG-CB 4.23Å; K851-K874 HydrophobicContact CG-CG 4.17Å; L871-K874 HydrophobicContact CD1-CB 4.39Å; L871-K874 HydrophobicContact CD2-CB 4.1Å; L871-K874 HydrophobicContact CD2-CD 4.44Å; K874-E876 WeakPolarHBondContact CE-OE1 3.06Å; K874-E876 IonicContact NZ-OE1 2.7Å; K874-E876 PolarHBondContact NZ-OE1 2.99Å; K874-E876 IonicContact NZ-OE2 3.14Å; K874-E876 PolarHBondContact NZ-OE2 2.84Å
875T80.8Confident68.8Low22 Ų2279.8 Ų79.814%0.13541%0.405CS..EExtended strand (participates in β ladder)trans-152.3146179.8173.90000110.2I850 Y873 F878 T894I850-T875 HydrophobicContact CB-CG2 4.31Å; I850-T875 PolarHBondContact N-O 2.84Å; I850-T875 PolarHBondContact O-N 2.91Å; I850-T875 VanDerWaalsContact O-O 3.09Å; Y873-T875 HydrophobicContact CD1-CG2 4.07Å; Y873-T875 HydrophobicContact CE1-CG2 3.22Å; Y873-T875 HydrophobicContact CE2-CG2 4.45Å; Y873-T875 VanDerWaalsContact CZ-CG2 3.48Å; T875-F878 HydrophobicContact CG2-CE1 3.47Å; T875-F878 VanDerWaalsContact CG2-CE1 3.47Å; T875-F878 HydrophobicContact CG2-CZ 3.7Å; T875-F878 WeakPolarHBondContact O-CZ 3.21Å; T875-F878 VanDerWaalsContact OG1-CE1 3.27Å; T875-F878 WeakPolarHBondContact OG1-CE1 3.15Å; T875-T894 HydrophobicContact CG2-CG2 4.39Å
876E79.2Confident70Confident82 Ų8282.2 Ų82.238%0.38341%0.412SS..EExtended strand (participates in β ladder)trans-145.8153.4-165.4-79.4164.3175.400109.7Q849 K874Q849-E876 HydrophobicContact CB-CG 4.02Å; Q849-E876 HydrophobicContact CG-CG 3.77Å; Q849-E876 PolarHBondContact NE2-OE1 2.84Å; K874-E876 WeakPolarHBondContact CE-OE1 3.06Å; K874-E876 IonicContact NZ-OE1 2.7Å; K874-E876 PolarHBondContact NZ-OE1 2.99Å; K874-E876 IonicContact NZ-OE2 3.14Å; K874-E876 PolarHBondContact NZ-OE2 2.84Å
877N66.8Low71Confident140 Ų14079.8 Ų79.875%0.74940%0.395SS*.  trans57.354176.9-63.2-11.6000114.1N848 N879N848-N877 PolarHBondContact O-N 2.79Å; N877-N879 PolarHBondContact O-N 3.08Å
878F63.2Low71.6Confident49 Ų4977.7 Ų77.722%0.21539%0.393CS..  trans-62.1120.1174.3-44.2-83.2000111.8I850 T875 M932I850-F878 HydrophobicContact CB-CE2 4.49Å; I850-F878 HydrophobicContact CB-CZ 3.82Å; I850-F878 HydrophobicContact CG1-CE2 4.25Å; I850-F878 HydrophobicContact CG1-CZ 3.98Å; T875-F878 HydrophobicContact CG2-CE1 3.47Å; T875-F878 VanDerWaalsContact CG2-CE1 3.47Å; T875-F878 HydrophobicContact CG2-CZ 3.7Å; T875-F878 WeakPolarHBondContact O-CZ 3.21Å; T875-F878 VanDerWaalsContact OG1-CE1 3.27Å; T875-F878 WeakPolarHBondContact OG1-CE1 3.15Å; F878-M932 HydrophobicContact CB-CE 4.38Å; F878-M932 HydrophobicContact CD1-CE 3.67Å; F878-M932 HydrophobicContact CD2-CE 3.55Å; F878-M932 HydrophobicContact CD2-SD 4.02Å; F878-M932 HydrophobicContact CE1-CE 3.76Å; F878-M932 HydrophobicContact CE2-CE 3.66Å; F878-M932 HydrophobicContact CE2-SD 4.06Å; F878-M932 HydrophobicContact CG-CE 3.57Å; F878-M932 HydrophobicContact CZ-CE 3.77Å
879N56.8Low71.9Confident140 Ų14077.8 Ų77.875%0.74940%0.4SS*.  trans-66.4155.2155.7-76.5-34.1000109.5N877 S881N877-N879 PolarHBondContact O-N 3.08Å; N879-S881 PolarHBondContact O-N 2.54Å
880K56.9Low72Confident199 Ų19976.4 Ų76.487%0.86540%0.396SS*.SBendtrans-66.718.5-165-57.8176.6-179.4170.60116.8
881S57.6Low71.6Confident60 Ų6073.2 Ų73.242%0.4238%0.382SS..SBendtrans-108166.2-176.652.30000112.4N879 H883N879-S881 PolarHBondContact O-N 2.54Å; S881-H883 PolarHBondContact O-N 3.33Å
882I63.2Low71.3Confident21 Ų2169.7 Ų69.711%0.10836%0.363CS..  trans-71.7121.5168.1-58.8179.5000108.1I893 V1014 I1017I882-I893 HydrophobicContact CG2-CG2 3.51Å; I882-V1014 HydrophobicContact CB-CG1 4.32Å; I882-V1014 HydrophobicContact CD1-CG1 3.82Å; I882-V1014 HydrophobicContact CG1-CG1 4.07Å; I882-I1017 HydrophobicContact CG2-CG2 4.12Å
883H63.4Low70.9Confident87 Ų8768 Ų6840%0.40336%0.355SS..EExtended strand (participates in β ladder)trans-100.6125.5172.7-166.570.8000109.5S881 E885 I893 T894S881-H883 PolarHBondContact O-N 3.33Å; H883-E885 IonicContact CD2-OE2 3.21Å; H883-E885 IonicContact NE2-OE2 3.53Å; H883-I893 WeakPolarHBondContact O-CA 3.33Å; H883-T894 PolarHBondContact N-O 2.58Å; H883-T894 PolarHBondContact O-N 2.74Å
884I68.3Low70.4Confident55 Ų5567.3 Ų67.328%0.28235%0.352SS..EExtended strand (participates in β ladder)trans-104.1124.8166.3-57.2-166.4000107.3L891 I892 I893 I1017I884-L891 HydrophobicContact CG2-CD1 3.56Å; I884-I892 WeakPolarHBondContact CA-O 3.48Å; I884-I893 HydrophobicContact CB-CG1 4.4Å; I884-I893 HydrophobicContact CD1-CD1 3.8Å; I884-I893 HydrophobicContact CD1-CG1 4.3Å; I884-I893 HydrophobicContact CG1-CD1 3.93Å; I884-I893 HydrophobicContact CG1-CG1 3.91Å; I884-I893 HydrophobicContact CG1-CG2 4.25Å; I884-I893 HydrophobicContact CG2-CG1 4.21Å; I884-I1017 HydrophobicContact CD1-CB 4.46Å; I884-I1017 HydrophobicContact CD1-CD1 4.44Å; I884-I1017 HydrophobicContact CD1-CG1 4.06Å; I884-I1017 HydrophobicContact CD1-CG2 3.8Å; I884-I1017 HydrophobicContact CG1-CD1 4.5Å; I884-I1017 HydrophobicContact CG1-CG2 4.21Å
885E72.7Confident69.7Low76 Ų7662.8 Ų62.836%0.35533%0.333SS..EExtended strand (participates in β ladder)trans-118.1122.6171.3-142.7-179.1129.200108.9Y873 H883 I892Y873-E885 HydrophobicContact CE2-CB 4.15Å; Y873-E885 WeakPolarHBondContact CE2-OE2 3.19Å; Y873-E885 PolarHBondContact OH-OE2 2.94Å; H883-E885 IonicContact CD2-OE2 3.21Å; H883-E885 IonicContact NE2-OE2 3.53Å; E885-I892 PolarHBondContact N-O 2.94Å; E885-I892 PolarHBondContact O-N 2.85Å
886E70.4Confident68.9Low117 Ų11763.9 Ų63.955%0.54734%0.339SS..EExtended strand (participates in β ladder)trans-123.5113.3-171.9-172177.815500110.1L891 K939E886-L891 HydrophobicContact CB-CD1 3.88Å; E886-L891 HydrophobicContact CG-CD1 3.92Å; E886-K939 WeakPolarHBondContact OE1-CE 3.44Å; E886-K939 IonicContact OE1-NZ 3.82Å; E886-K939 PolarHBondContact OE1-NZ 3.34Å
887T74.4Confident67.9Low54 Ų5461.4 Ų61.433%0.33133%0.331SS..  trans-103.5-174.2-17974.40000111.1S889 L890 K939T887-S889 PolarHBondContact O-N 2.85Å; T887-S889 PolarHBondContact OG1-N 3.31Å; T887-L890 PolarHBondContact N-O 3.21Å; T887-L890 WeakPolarHBondContact OG1-CB 3.45Å; T887-L890 PolarHBondContact OG1-N 2.71Å; T887-L890 PolarHBondContact OG1-O 3.5Å; T887-K939 WeakPolarHBondContact O-CD 2.77Å; T887-K939 WeakPolarHBondContact O-CE 3.36Å; T887-K939 PolarHBondContact O-NZ 3.16Å
888S68Low67.6Low112 Ų11255 Ų5578%0.78330%0.297SS*.SBendtrans-67.5-23.1175.455.10000113.6
889S70.6Confident67.1Low60 Ų6053.2 Ų53.242%0.4229%0.289SS..SBendtrans-124.6-26.8-175.356.60000114.5T887 K939T887-S889 PolarHBondContact O-N 2.85Å; T887-S889 PolarHBondContact OG1-N 3.31Å; S889-K939 PolarHBondContact O-N 3.21Å
890L80.1Confident66.7Low23 Ų2349.8 Ų49.812%0.1227%0.27CS..EExtended strand (participates in β ladder)trans-117.9150.8-175.5-46.3-179.2000111I872 T887 I892 L936 W937 L938I872-L890 HydrophobicContact CB-CD1 4.33Å; T887-L890 PolarHBondContact N-O 3.21Å; T887-L890 WeakPolarHBondContact OG1-CB 3.45Å; T887-L890 PolarHBondContact OG1-N 2.71Å; T887-L890 PolarHBondContact OG1-O 3.5Å; L890-I892 HydrophobicContact CB-CD1 4.25Å; L890-I892 HydrophobicContact CB-CG1 4.23Å; L890-I892 HydrophobicContact CD1-CD1 4Å; L890-L936 HydrophobicContact CB-CD1 4.34Å; L890-L936 HydrophobicContact CD1-CD1 4.37Å; L890-L936 HydrophobicContact CD2-CD1 4.28Å; L890-W937 WeakPolarHBondContact CA-O 3.4Å; L890-L938 HydrophobicContact CD2-CD2 3.39Å
891L74Confident65.8Low14 Ų1442.7 Ų42.77%0.07324%0.244CC..EExtended strand (participates in β ladder)trans-124.4122.2161.2168.869.9000107L833 I884 E886 W937L833-L891 HydrophobicContact CD1-CD2 3.85Å; L833-L891 HydrophobicContact CD2-CB 4.38Å; L833-L891 HydrophobicContact CD2-CD2 4.19Å; I884-L891 HydrophobicContact CG2-CD1 3.56Å; E886-L891 HydrophobicContact CB-CD1 3.88Å; E886-L891 HydrophobicContact CG-CD1 3.92Å; L891-W937 HydrophobicContact CB-CB 4.21Å; L891-W937 HydrophobicContact CD2-CD2 4.39Å; L891-W937 HydrophobicContact CD2-CE3 4.14Å; L891-W937 HydrophobicContact CG-CE3 4.14Å; L891-W937 PolarHBondContact N-O 2.91Å; L891-W937 PolarHBondContact O-N 2.57Å
892I79Confident64.8Low1 Ų142.7 Ų42.71%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-126.4138.6-174-61.6176.3000109.4Y873 I884 E885 L890 T894 M935 L936Y873-I892 HydrophobicContact CD1-CD1 3.79Å; Y873-I892 HydrophobicContact CD1-CG2 4.02Å; Y873-I892 HydrophobicContact CD2-CD1 3.52Å; Y873-I892 HydrophobicContact CE1-CB 4.44Å; Y873-I892 HydrophobicContact CE1-CD1 4.22Å; Y873-I892 HydrophobicContact CE1-CG2 3.49Å; Y873-I892 VanDerWaalsContact CE1-CG2 3.49Å; Y873-I892 HydrophobicContact CE2-CB 4.4Å; Y873-I892 HydrophobicContact CE2-CD1 3.98Å; Y873-I892 HydrophobicContact CE2-CG2 4.25Å; Y873-I892 HydrophobicContact CG-CD1 3.37Å; I884-I892 WeakPolarHBondContact CA-O 3.48Å; E885-I892 PolarHBondContact N-O 2.94Å; E885-I892 PolarHBondContact O-N 2.85Å; L890-I892 HydrophobicContact CB-CD1 4.25Å; L890-I892 HydrophobicContact CB-CG1 4.23Å; L890-I892 HydrophobicContact CD1-CD1 4Å; I892-T894 HydrophobicContact CG2-CG2 4.44Å; I892-M935 WeakPolarHBondContact CA-O 3.25Å; I892-M935 WeakPolarHBondContact CG2-O 2.86Å; I892-L936 HydrophobicContact CD1-CD1 3.85Å; I892-L936 HydrophobicContact CG1-CD1 3.61Å
893I74.5Confident63.3Low4 Ų444.4 Ų44.42%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-129.5122.6176.7-52.9-174.5000108.7I882 H883 I884 F933 T934 M935 W937 I1021I882-I893 HydrophobicContact CG2-CG2 3.51Å; H883-I893 WeakPolarHBondContact O-CA 3.33Å; I884-I893 HydrophobicContact CB-CG1 4.4Å; I884-I893 HydrophobicContact CD1-CD1 3.8Å; I884-I893 HydrophobicContact CD1-CG1 4.3Å; I884-I893 HydrophobicContact CG1-CD1 3.93Å; I884-I893 HydrophobicContact CG1-CG1 3.91Å; I884-I893 HydrophobicContact CG1-CG2 4.25Å; I884-I893 HydrophobicContact CG2-CG1 4.21Å; I893-F933 HydrophobicContact CG2-CE2 4.02Å; I893-F933 HydrophobicContact CG2-CZ 4.21Å; I893-T934 CarbonylContact O-C 3.42Å; I893-T934 WeakPolarHBondContact O-CA 3.47Å; I893-M935 HydrophobicContact CB-CB 4.34Å; I893-M935 PolarHBondContact N-O 3.22Å; I893-M935 PolarHBondContact O-N 2.97Å; I893-W937 HydrophobicContact CB-CZ3 4.37Å; I893-W937 HydrophobicContact CD1-CH2 4Å; I893-W937 HydrophobicContact CD1-CZ3 3.62Å; I893-W937 HydrophobicContact CG1-CZ3 3.8Å; I893-I1021 HydrophobicContact CD1-CD1 3.63Å; I893-I1021 HydrophobicContact CD1-CG1 3.71Å; I893-I1021 HydrophobicContact CG2-CD1 4.21Å
894T74.3Confident62Low1 Ų150.7 Ų50.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-122.8138.4177.441.70000109.2I850 Y873 T875 H883 I892 T934I850-T894 HydrophobicContact CD1-CG2 4.26Å; I850-T894 HydrophobicContact CG2-CG2 4.44Å; Y873-T894 HydrophobicContact CE1-CG2 4.19Å; T875-T894 HydrophobicContact CG2-CG2 4.39Å; H883-T894 PolarHBondContact N-O 2.58Å; H883-T894 PolarHBondContact O-N 2.74Å; I892-T894 HydrophobicContact CG2-CG2 4.44Å; T894-T934 WeakPolarHBondContact CG2-OG1 3.25Å
895G69.8Low60.3Low2 Ų252 Ų522%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-172.1172179.900000115.1M932 F933G895-M932 VanDerWaalsContact O-CG 3.23Å; G895-M932 WeakPolarHBondContact O-CG 3.22Å; G895-F933 PolarHBondContact N-O 2.83Å; G895-F933 WeakPolarHBondContact O-CD1 3.21Å; G895-F933 PolarHBondContact O-N 2.75Å
896T64.1Low58.1Low44 Ų4453.9 Ų53.927%0.2730%0.297SS..SBendtrans-124144.4174.9560000109T931 M932T896-T931 WeakPolarHBondContact CG2-O 3.36Å; T896-M932 HydrophobicContact CG2-CB 4.09Å; T896-M932 HydrophobicContact CG2-CG 3.85Å
897P58.4Low56.2Low31 Ų3153.4 Ų53.420%0.20129%0.294CS..SBendcis-80.9174.9-4.135-36.5000113Y928 T931 F933P897-Y928 HydrophobicContact CB-CD1 3.43Å; P897-Y928 VanDerWaalsContact CB-CD1 3.43Å; P897-Y928 HydrophobicContact CB-CE1 4.18Å; P897-Y928 HydrophobicContact CB-CG 3.79Å; P897-Y928 HydrophobicContact CG-CD1 3.99Å; P897-Y928 HydrophobicContact CG-CE1 4.39Å; P897-Y928 HydrophobicContact CG-CG 4.2Å; P897-T931 WeakPolarHBondContact CA-OG1 3.23Å; P897-T931 WeakPolarHBondContact CB-OG1 3.21Å; P897-F933 VanDerWaalsContact O-CD1 3.28Å; P897-F933 WeakPolarHBondContact O-CD1 3.37Å
898A59.2Low54.1Low5 Ų556.1 Ų56.14%0.04131%0.31CS..  trans-66.1166173.400000113.7I807 Q840 I900 T931I807-A898 HydrophobicContact CD1-CB 3.79Å; Q840-A898 HydrophobicContact CB-CB 3.99Å; A898-I900 PolarHBondContact O-N 2.96Å; A898-T931 HydrophobicContact CB-CG2 4.47Å; A898-T931 PolarHBondContact N-OG1 2.69Å
899F53.1Low52.3Low12 Ų1256.8 Ų56.85%0.05330%0.302CS..  trans-87.696.1-178.5-76.1-110.4000111.1F810 F838 Q840 F933 M935 I1004 Y1006F810-F899 HydrophobicContact CE2-CB 4.49Å; F838-F899 HydrophobicContact CE2-CB 4.45Å; F838-F899 AromaticContact CE2-CD2 3.42Å; F838-F899 HydrophobicContact CE2-CD2 3.42Å; F838-F899 VanDerWaalsContact CE2-CD2 3.42Å; F838-F899 AromaticContact CE2-CE2 3.76Å; F838-F899 HydrophobicContact CE2-CE2 3.76Å; F838-F899 HydrophobicContact CE2-CG 4.04Å; F838-F899 HydrophobicContact CZ-CB 3.8Å; F838-F899 AromaticContact CZ-CD2 3.57Å; F838-F899 HydrophobicContact CZ-CD2 3.57Å; F838-F899 HydrophobicContact CZ-CE2 4.36Å; F838-F899 AromaticContact CZ-CG 3.9Å; F838-F899 HydrophobicContact CZ-CG 3.9Å; Q840-F899 VanDerWaalsContact OE1-N 3.09Å; Q840-F899 PolarHBondContact OE1-O 3.45Å; Q840-F899 VanDerWaalsContact OE1-O 3.08Å; F899-F933 HydrophobicContact CD2-CB 3.9Å; F899-F933 AromaticContact CD2-CD1 3.86Å; F899-F933 HydrophobicContact CD2-CD1 3.86Å; F899-F933 HydrophobicContact CD2-CD2 4.15Å; F899-F933 HydrophobicContact CD2-CE1 4.41Å; F899-F933 AromaticContact CD2-CG 3.71Å; F899-F933 HydrophobicContact CD2-CG 3.71Å; F899-F933 HydrophobicContact CE2-CB 4.2Å; F899-F933 AromaticContact CE2-CD1 3.64Å; F899-F933 HydrophobicContact CE2-CD1 3.64Å; F899-F933 AromaticContact CE2-CD2 3.55Å; F899-F933 HydrophobicContact CE2-CD2 3.55Å; F899-F933 AromaticContact CE2-CE1 3.79Å; F899-F933 HydrophobicContact CE2-CE1 3.79Å; F899-F933 AromaticContact CE2-CE2 3.73Å; F899-F933 HydrophobicContact CE2-CE2 3.73Å; F899-F933 AromaticContact CE2-CG 3.52Å; F899-F933 HydrophobicContact CE2-CG 3.52Å; F899-F933 AromaticContact CE2-CZ 3.84Å; F899-F933 HydrophobicContact CE2-CZ 3.84Å; F899-F933 HydrophobicContact CZ-CE2 4.48Å; F899-M935 HydrophobicContact CE1-CE 3.89Å; F899-M935 HydrophobicContact CE2-CE 3.8Å; F899-M935 HydrophobicContact CZ-CE 3.37Å; F899-M935 HydrophobicContact CZ-SD 4.31Å; F899-I1004 HydrophobicContact CD1-CD1 4.32Å; F899-I1004 HydrophobicContact CD1-CG2 3.58Å; F899-I1004 HydrophobicContact CE1-CG2 3.8Å; F899-Y1006 HydrophobicContact CD1-CE2 4.23Å; F899-Y1006 AromaticContact CE1-CD2 3.89Å; F899-Y1006 HydrophobicContact CE1-CD2 3.89Å; F899-Y1006 AromaticContact CE1-CE2 3.35Å; F899-Y1006 HydrophobicContact CE1-CE2 3.35Å; F899-Y1006 AromaticContact CE1-CZ 3.81Å; F899-Y1006 HydrophobicContact CE2-CE2 4.19Å; F899-Y1006 WeakPolarHBondContact CE2-OH 3.24Å; F899-Y1006 HydrophobicContact CZ-CD2 4.29Å; F899-Y1006 AromaticContact CZ-CE2 3.34Å; F899-Y1006 HydrophobicContact CZ-CE2 3.34Å; F899-Y1006 AromaticContact CZ-CZ 3.67Å; F899-Y1006 WeakPolarHBondContact CZ-OH 3.43Å
900I47.8Very low50.6Low67 Ų6760.8 Ų60.834%0.34431%0.309SS..  trans-80.6118.1167.2-61.2-174.5000109A898 E924 Y928A898-I900 PolarHBondContact O-N 2.96Å; I900-E924 HydrophobicContact CD1-CB 4.25Å; I900-E924 HydrophobicContact CD1-CG 3.77Å; I900-Y928 HydrophobicContact CD1-CD1 4.36Å; I900-Y928 HydrophobicContact CD1-CE1 3.49Å; I900-Y928 VanDerWaalsContact CD1-CE1 3.49Å; I900-Y928 HydrophobicContact CG1-CE1 3.9Å
901T38.6Very low48.5Very low51 Ų5160.1 Ų60.131%0.31331%0.308SS..  trans-90.4114.5174.955.30000110.2F810 S903 V1002F810-T901 HydrophobicContact CE1-CG2 4.26Å; F810-T901 HydrophobicContact CE2-CG2 3.98Å; F810-T901 HydrophobicContact CZ-CG2 3.42Å; F810-T901 VanDerWaalsContact CZ-CG2 3.42Å; T901-S903 PolarHBondContact O-N 3.03Å; T901-V1002 HydrophobicContact CG2-CG1 3.64Å
902S37.4Very low46.8Very low59 Ų5961.3 Ų61.341%0.41331%0.311SS..  trans-61.4-9.4177.150.30000114.9R904 L905 S1005S902-R904 PolarHBondContact O-N 3.4Å; S902-L905 PolarHBondContact O-N 2.82Å; S902-S1005 PolarHBondContact OG-OG 3.24Å
903S31.8Very low44.9Very low58 Ų5863 Ų6341%0.40632%0.319SS..THydrogen-bonded Turntrans-65.110-162.154.10000118.4T901T901-S903 PolarHBondContact O-N 3.03Å
904R34.9Very low43.2Very low219 Ų21963.2 Ų63.283%0.82632%0.321SS*.THydrogen-bonded Turntrans-140.75.3173.9-77.2-158.9-177.5157.911117.2S902 N906S902-R904 PolarHBondContact O-N 3.4Å; R904-N906 VanDerWaalsContact C-N 3.35Å
905L32.7Very low41.5Very low81 Ų8163.7 Ų63.742%0.42432%0.324SS..  trans-100.531.3166.8-72.3175.6000112.5S902 F907S902-L905 PolarHBondContact O-N 2.82Å; L905-F907 PolarHBondContact O-N 2.81Å
906N27.7Very low40.1Very low116 Ų11664.9 Ų64.962%0.6233%0.328SS*.  trans-70.866.7170.2-78.418.5000111.6R904 T908R904-N906 VanDerWaalsContact C-N 3.35Å; N906-T908 HydrophobicContact CB-CG2 3.96Å; N906-T908 PolarHBondContact O-N 2.9Å
907F30.1Very low39.2Very low108 Ų10865.7 Ų65.747%0.47433%0.329SS..  trans-73.655.8157.2-81.3-74.6000109.9L905 M909L905-F907 PolarHBondContact O-N 2.81Å; F907-M909 PolarHBondContact O-N 3.29Å
908T29.6Very low38.4Very low111 Ų11164.3 Ų64.368%0.68132%0.32SS*.  trans-76.468.4-178.9540000111N906N906-T908 HydrophobicContact CB-CG2 3.96Å; N906-T908 PolarHBondContact O-N 2.9Å
909M31.4Very low37.5Very low125 Ų12564.3 Ų64.362%0.61632%0.319SS*.  trans-105.9175.4165.9-83-161.9175.100111.2L257 W258 F907L257-M909 VanDerWaalsContact CB-O 3.23Å; L257-M909 WeakPolarHBondContact CB-O 3.19Å; L257-M909 HydrophobicContact CD1-CB 4.41Å; L257-M909 HydrophobicContact CD2-CB 3.26Å; L257-M909 VanDerWaalsContact CG-C 3.42Å; L257-M909 HydrophobicContact CG-CB 3.59Å; L257-M909 WeakPolarHBondContact CG-O 2.87Å; W258-M909 PolarHBondContact N-O 2.86Å; W258-M909 VanDerWaalsContact N-O 3.16Å; F907-M909 PolarHBondContact O-N 3.29Å
910Y35Very low37.2Very low145 Ų14564.8 Ų64.857%0.56932%0.323SS*.SBendtrans-8290.1-163.967.395.6000120.9D74 W258 K259D74-Y910 WeakPolarHBondContact OD2-CE1 3.31Å; W258-Y910 CarbonylContact O-C 3.54Å; W258-Y910 WeakPolarHBondContact O-CB 3.2Å; K259-Y910 VanDerWaalsContact CE-O 3.31Å; K259-Y910 WeakPolarHBondContact CE-O 3.08Å
911G34.9Very low37Very low8 Ų863.2 Ų63.28%0.08231%0.314CS..SBendtrans143.7119.1162.100000122.1Q256 L257 W258Q256-G911 CarbonylContact C-O 3.56Å; Q256-G911 WeakPolarHBondContact CA-O 3.49Å; Q256-G911 WeakPolarHBondContact CB-O 3.26Å; L257-G911 CarbonylContact C-O 3.46Å; L257-G911 WeakPolarHBondContact CA-O 3.48Å; L257-G911 WeakPolarHBondContact CB-O 3.39Å; L257-G911 PolarHBondContact N-O 3.04Å; L257-G911 CarbonylContact O-C 3.55Å; W258-G911 VanDerWaalsContact CA-N 3.34Å; W258-G911 VanDerWaalsContact N-C 3.29Å; W258-G911 WeakPolarHBondContact O-CA 3.27Å; W258-G911 PolarHBondContact O-N 2.92Å
912R37.6Very low37.1Very low39 Ų3960.9 Ų60.915%0.14730%0.3CS..  trans40.5112.4173.7-71.8164.3179.7168.6-6.2119.6Q256 L257 W258 K259 S262 N263 Y264 S914Q256-R912 CarbonylContact C-O 3.53Å; Q256-R912 WeakPolarHBondContact CA-O 3.35Å; Q256-R912 HydrophobicContact CB-CB 4.03Å; Q256-R912 WeakPolarHBondContact CB-O 3.38Å; L257-R912 CarbonylContact O-C 3.06Å; L257-R912 WeakPolarHBondContact O-CA 3.3Å; L257-R912 PolarHBondContact O-N 2.85Å; W258-R912 VanDerWaalsContact CA-N 3.26Å; K259-R912 VanDerWaalsContact N-N 3.14Å; S262-R912 VanDerWaalsContact O-CG 3.31Å; S262-R912 WeakPolarHBondContact O-CG 3.49Å; S262-R912 PolarHBondContact O-NE 2.95Å; N263-R912 WeakPolarHBondContact O-CD 3.49Å; N263-R912 PolarHBondContact O-NE 2.86Å; N263-R912 PolarHBondContact O-NH2 2.88Å; Y264-R912 HydrophobicContact CD2-CB 3.91Å; Y264-R912 HydrophobicContact CD2-CG 4.3Å; R912-S914 PolarHBondContact O-N 3.49Å; R912-S914 PolarHBondContact O-OG 3Å
913Q40.2Very low37.4Very low38 Ų3858.9 Ų58.918%0.17828%0.284CS..  trans-7542.1-169.8-77.2155.8-93.200115.9K228 Q256 L257 W258 Y264 E917K228-Q913 HydrophobicContact CD-CB 3.99Å; K228-Q913 HydrophobicContact CD-CG 4.2Å; K228-Q913 VanDerWaalsContact NZ-CB 3.27Å; Q256-Q913 CarbonylContact O-C 3.45Å; Q256-Q913 WeakPolarHBondContact O-CA 3.36Å; L257-Q913 WeakPolarHBondContact O-CA 3.41Å; L257-Q913 WeakPolarHBondContact O-CG 3.39Å; L257-Q913 PolarHBondContact O-N 2.96Å; W258-Q913 HydrophobicContact CB-CG 4.01Å; W258-Q913 HydrophobicContact CG-CG 4.29Å; Y264-Q913 VanDerWaalsContact CE2-C 3.45Å; Y264-Q913 HydrophobicContact CE2-CB 4.13Å; Y264-Q913 PolarHBondContact OH-O 2.79Å; Q913-E917 HydrophobicContact CB-CB 4.44Å; Q913-E917 HydrophobicContact CB-CG 4.42Å; Q913-E917 PolarHBondContact NE2-OE1 3.05Å; Q913-E917 PolarHBondContact NE2-OE2 3.37Å
914S39.4Very low38.1Very low8 Ų857.2 Ų57.26%0.05627%0.27CS..  trans-101.8109.4-153.951.40000113S254 Q256 V265 R912S254-S914 VanDerWaalsContact CB-O 3.25Å; S254-S914 WeakPolarHBondContact CB-O 3.29Å; S254-S914 PolarHBondContact OG-O 2.93Å; Q256-S914 WeakPolarHBondContact CB-OG 3.29Å; Q256-S914 PolarHBondContact NE2-OG 3.46Å; Q256-S914 PolarHBondContact O-N 2.76Å; V265-S914 WeakPolarHBondContact O-CA 3.28Å; V265-S914 WeakPolarHBondContact O-CB 3.18Å; R912-S914 PolarHBondContact O-N 3.49Å; R912-S914 PolarHBondContact O-OG 3Å
915S38.5Very low38.7Very low11 Ų1148.8 Ų48.88%0.07724%0.239CC..SBendtrans81.3-21.1-174.8141.10000117S254 N918 L919S254-S915 WeakPolarHBondContact CB-OG 3.36Å; S915-N918 VanDerWaalsContact C-N 3.34Å; S915-N918 CarbonylContact O-C 3.51Å; S915-N918 WeakPolarHBondContact O-CA 3.14Å; S915-N918 PolarHBondContact O-N 2.68Å; S915-L919 WeakPolarHBondContact O-CB 3.46Å; S915-L919 PolarHBondContact O-N 2.83Å
916Y40.5Very low39.5Very low27 Ų2747.6 Ų47.611%0.10623%0.233CC..SBendtrans-74.3-59.9166.4-163.8-94.2000110.3N250 L251 N252 Y253 S254 N918 L919N250-Y916 CarbonylContact C-O 3.58Å; N250-Y916 CarbonylContact O-C 3.55Å; L251-Y916 CarbonylContact C-O 3.23Å; L251-Y916 WeakPolarHBondContact CA-O 3.49Å; L251-Y916 WeakPolarHBondContact O-CE1 3.39Å; N252-Y916 PolarHBondContact N-O 2.87Å; N252-Y916 WeakPolarHBondContact O-CD2 3.14Å; N252-Y916 WeakPolarHBondContact O-CE2 3.33Å; N252-Y916 PolarHBondContact OD1-OH 3.5Å; Y253-Y916 VanDerWaalsContact C-CD2 3.5Å; Y253-Y916 VanDerWaalsContact N-CD2 3.27Å; S254-Y916 WeakPolarHBondContact O-CB 3.49Å; S254-Y916 WeakPolarHBondContact O-CD2 3.14Å; S254-Y916 PolarHBondContact OG-N 3.05Å; Y916-N918 PolarHBondContact O-N 3.35Å; Y916-L919 PolarHBondContact O-N 3.02Å
917E43.9Very low40.6Very low61 Ų6144 Ų4429%0.28522%0.215SC..THydrogen-bonded Turntrans-70.719.2162-58.2-178.1-170.300112.8K228 N249 N250 L251 Q913K228-E917 IonicContact NZ-OE2 3.27Å; K228-E917 PolarHBondContact NZ-OE2 2.97Å; N249-E917 CarbonylContact C-O 3.59Å; N249-E917 PolarHBondContact ND2-O 3.42Å; N250-E917 PolarHBondContact N-O 2.84Å; N250-E917 CarbonylContact O-C 3.51Å; N250-E917 WeakPolarHBondContact O-CA 3.37Å; L251-E917 HydrophobicContact CD2-CB 3.93Å; L251-E917 HydrophobicContact CD2-CG 3.98Å; Q913-E917 HydrophobicContact CB-CB 4.44Å; Q913-E917 HydrophobicContact CB-CG 4.42Å; Q913-E917 PolarHBondContact NE2-OE1 3.05Å; Q913-E917 PolarHBondContact NE2-OE2 3.37Å
918N41.5Very low41.8Very low2 Ų241.1 Ų41.11%0.01120%0.201CC..THydrogen-bonded Turntrans-129.331.8149.5-84.5-40.2000117.6F248 N249 N250 D266 T267 S915 Y916F248-N918 PolarHBondContact O-OD1 2.99Å; N249-N918 VanDerWaalsContact CA-OD1 3.3Å; N249-N918 WeakPolarHBondContact CA-OD1 3.44Å; N249-N918 PolarHBondContact ND2-OD1 3.06Å; N249-N918 VanDerWaalsContact ND2-OD1 3.15Å; N250-N918 WeakPolarHBondContact CB-O 3.47Å; N250-N918 PolarHBondContact N-OD1 2.84Å; N250-N918 PolarHBondContact ND2-O 2.77Å; N250-N918 CarbonylContact O-C 3.51Å; N250-N918 WeakPolarHBondContact O-CA 3.34Å; N250-N918 PolarHBondContact O-N 2.02Å; D266-N918 PolarHBondContact OD2-ND2 3.24Å; T267-N918 PolarHBondContact N-ND2 2.68Å; T267-N918 WeakPolarHBondContact O-CB 3.43Å; S915-N918 VanDerWaalsContact C-N 3.34Å; S915-N918 CarbonylContact O-C 3.51Å; S915-N918 WeakPolarHBondContact O-CA 3.14Å; S915-N918 PolarHBondContact O-N 2.68Å; Y916-N918 PolarHBondContact O-N 3.35Å
919L41.7Very low43Very low5 Ų543.7 Ų43.73%0.02620%0.199CC..SBendtrans-140.818166.7-151.379000125.9Y217 N250 N252 Y253 S915 Y916Y217-L919 HydrophobicContact CE1-CD1 4.13Å; N250-L919 VanDerWaalsContact CB-N 3.26Å; N250-L919 WeakPolarHBondContact ND2-CA 3.31Å; N250-L919 PolarHBondContact O-N 3.36Å; N250-L919 PolarHBondContact OD1-O 3.45Å; N252-L919 WeakPolarHBondContact CB-O 3.2Å; Y253-L919 VanDerWaalsContact CB-CG 3.5Å; Y253-L919 HydrophobicContact CD1-CB 3.24Å; Y253-L919 HydrophobicContact CD1-CD1 2.82Å; Y253-L919 HydrophobicContact CD1-CD2 2.3Å; Y253-L919 HydrophobicContact CD1-CG 2.31Å; Y253-L919 HydrophobicContact CD2-CB 2.75Å; Y253-L919 HydrophobicContact CD2-CD1 3.92Å; Y253-L919 HydrophobicContact CD2-CD2 2.3Å; Y253-L919 HydrophobicContact CD2-CG 2.31Å; Y253-L919 WeakPolarHBondContact CD2-O 3.27Å; Y253-L919 HydrophobicContact CE1-CB 3.86Å; Y253-L919 HydrophobicContact CE1-CD1 2.58Å; Y253-L919 HydrophobicContact CE1-CD2 2.29Å; Y253-L919 HydrophobicContact CE1-CG 2.33Å; Y253-L919 HydrophobicContact CE2-CB 3.44Å; Y253-L919 VanDerWaalsContact CE2-CB 3.44Å; Y253-L919 HydrophobicContact CE2-CD1 3.74Å; Y253-L919 HydrophobicContact CE2-CD2 2.3Å; Y253-L919 HydrophobicContact CE2-CG 2.33Å; Y253-L919 WeakPolarHBondContact CE2-O 3.25Å; Y253-L919 HydrophobicContact CG-CB 2.64Å; Y253-L919 HydrophobicContact CG-CD1 3.52Å; Y253-L919 HydrophobicContact CG-CD2 2.3Å; Y253-L919 HydrophobicContact CG-CG 2.31Å; Y253-L919 WeakPolarHBondContact OH-CD2 3.49Å; Y253-L919 WeakPolarHBondContact OH-CG 3.35Å; S915-L919 WeakPolarHBondContact O-CB 3.46Å; S915-L919 PolarHBondContact O-N 2.83Å; Y916-L919 PolarHBondContact O-N 3.02Å
920V45.3Very low44.6Very low21 Ų2139.7 Ų39.713%0.12718%0.178CC..SBendtrans-122.8-22.4159.4107.40000119.2N250 L251 N252 L923 E924N250-V920 WeakPolarHBondContact OD1-CA 3.36Å; N250-V920 PolarHBondContact OD1-N 2.75Å; N250-V920 PolarHBondContact OD1-O 2.82Å; L251-V920 VanDerWaalsContact C-N 3.26Å; L251-V920 HydrophobicContact CB-CB 4.41Å; L251-V920 HydrophobicContact CB-CG1 3.72Å; L251-V920 HydrophobicContact CG-CG1 4.45Å; L251-V920 VanDerWaalsContact N-CA 3.32Å; L251-V920 WeakPolarHBondContact O-CB 3.04Å; L251-V920 WeakPolarHBondContact O-CG1 3.16Å; N252-V920 HydrophobicContact CB-CB 3.5Å; N252-V920 HydrophobicContact CB-CG2 3.71Å; N252-V920 VanDerWaalsContact CG-CG2 3.48Å; N252-V920 VanDerWaalsContact ND2-CG2 3.32Å; N252-V920 WeakPolarHBondContact ND2-CG2 3.46Å; V920-L923 HydrophobicContact CG2-CD1 3.78Å; V920-L923 HydrophobicContact CG2-CG 4.38Å; V920-L923 CarbonylContact O-C 3.6Å; V920-L923 VanDerWaalsContact O-CA 3.24Å; V920-L923 WeakPolarHBondContact O-CA 3.42Å; V920-L923 WeakPolarHBondContact O-CB 3.06Å; V920-L923 VanDerWaalsContact O-CG 3.28Å; V920-L923 WeakPolarHBondContact O-CG 3.18Å; V920-L923 PolarHBondContact O-N 2.87Å; V920-E924 HydrophobicContact CG1-CG 4.18Å; V920-E924 PolarHBondContact O-N 2.05Å
921H44Very low46.2Very low34 Ų3433 Ų3316%0.15715%0.152CC..Hα-helixtrans-96.9-5.7-174.6163.5119000116.7N249 N250 L251 E924 K925 Y928N249-H921 PolarHBondContact N-CD2 2.93Å; N249-H921 WeakPolarHBondContact O-CB 3.19Å; N249-H921 PolarHBondContact O-CD2 2.76Å; N249-H921 VanDerWaalsContact O-CG 3.25Å; N250-H921 VanDerWaalsContact CA-CA 3.47Å; N250-H921 PolarHBondContact OD1-N 3.36Å; L251-H921 HydrophobicContact CG-CB 3.94Å; H921-E924 VanDerWaalsContact CA-CB 3.47Å; H921-E924 HydrophobicContact CB-CB 3.78Å; H921-E924 VanDerWaalsContact CB-CD 3.45Å; H921-E924 HydrophobicContact CB-CG 3.76Å; H921-E924 IonicContact CE1-OE2 2.68Å; H921-E924 IonicContact CG-OE2 2.67Å; H921-E924 IonicContact ND1-OE2 2.83Å; H921-E924 PolarHBondContact ND1-OE2 2.91Å; H921-K925 WeakPolarHBondContact NE2-CE 3.45Å; H921-K925 WeakPolarHBondContact O-CB 3.36Å; H921-K925 PolarHBondContact O-N 2.96Å; H921-Y928 AromaticContact CE1-CE2 3.8Å; H921-Y928 AromaticContact ND1-CE2 3.83Å
922N41.3Very low47.9Very low3 Ų332.8 Ų32.82%0.01615%0.149CC..Hα-helixtrans-63.7-43.2147-54.3-14.7000106.9F248 N250 T269 K925 I926F248-N922 HydrophobicContact CB-CB 4.25Å; F248-N922 WeakPolarHBondContact CB-OD1 3.48Å; F248-N922 HydrophobicContact CD1-CB 4.21Å; F248-N922 PolarHBondContact O-OD1 3.27Å; N250-N922 HydrophobicContact CB-CB 3.91Å; N250-N922 VanDerWaalsContact CB-OD1 3.23Å; N250-N922 WeakPolarHBondContact CB-OD1 3.31Å; N250-N922 WeakPolarHBondContact ND2-CB 3.39Å; N250-N922 PolarHBondContact ND2-ND2 2.82Å; N250-N922 WeakPolarHBondContact OD1-CA 3.38Å; N250-N922 WeakPolarHBondContact OD1-CB 3.37Å; N250-N922 PolarHBondContact OD1-N 2.89Å; T269-N922 WeakPolarHBondContact CB-ND2 3.34Å; T269-N922 WeakPolarHBondContact CG2-ND2 3.47Å; T269-N922 WeakPolarHBondContact OG1-CB 3.46Å; T269-N922 PolarHBondContact OG1-ND2 3.31Å; T269-N922 PolarHBondContact OG1-OD1 3.2Å; N922-K925 PolarHBondContact O-N 3.49Å; N922-I926 VanDerWaalsContact O-CB 3.28Å; N922-I926 WeakPolarHBondContact O-CB 3.31Å; N922-I926 WeakPolarHBondContact O-CD1 2.99Å; N922-I926 WeakPolarHBondContact O-CG1 3.43Å; N922-I926 PolarHBondContact O-N 3.37Å
923L43.4Very low49.7Very low16 Ų1631 Ų318%0.08414%0.143CC..Hα-helixtrans-64-41.5172.2-22.5179.4000110.2N250 F771 V920 T927N250-L923 PolarHBondContact OD1-N 2.82Å; F771-L923 HydrophobicContact CD1-CD1 4.44Å; F771-L923 HydrophobicContact CD1-CD2 3.4Å; F771-L923 VanDerWaalsContact CD1-CD2 3.4Å; F771-L923 HydrophobicContact CD2-CD2 3.82Å; F771-L923 HydrophobicContact CE1-CD2 3.19Å; F771-L923 HydrophobicContact CE2-CD2 3.65Å; F771-L923 HydrophobicContact CG-CD2 3.69Å; F771-L923 HydrophobicContact CZ-CD2 3.31Å; V920-L923 HydrophobicContact CG2-CD1 3.78Å; V920-L923 HydrophobicContact CG2-CG 4.38Å; V920-L923 CarbonylContact O-C 3.6Å; V920-L923 VanDerWaalsContact O-CA 3.24Å; V920-L923 WeakPolarHBondContact O-CA 3.42Å; V920-L923 WeakPolarHBondContact O-CB 3.06Å; V920-L923 VanDerWaalsContact O-CG 3.28Å; V920-L923 WeakPolarHBondContact O-CG 3.18Å; V920-L923 PolarHBondContact O-N 2.87Å; L923-T927 WeakPolarHBondContact O-CB 3.48Å; L923-T927 VanDerWaalsContact O-CG2 3.28Å; L923-T927 WeakPolarHBondContact O-CG2 3.32Å; L923-T927 PolarHBondContact O-N 2.76Å; L923-T927 PolarHBondContact O-OG1 2.88Å
924E47.3Very low51.5Low23 Ų2329.2 Ų29.211%0.10713%0.134CC..Hα-helixtrans-60-47171-60.8174.2-161.400111.8I900 V920 H921 T927 Y928I900-E924 HydrophobicContact CD1-CB 4.25Å; I900-E924 HydrophobicContact CD1-CG 3.77Å; V920-E924 HydrophobicContact CG1-CG 4.18Å; V920-E924 PolarHBondContact O-N 2.05Å; H921-E924 VanDerWaalsContact CA-CB 3.47Å; H921-E924 HydrophobicContact CB-CB 3.78Å; H921-E924 VanDerWaalsContact CB-CD 3.45Å; H921-E924 HydrophobicContact CB-CG 3.76Å; H921-E924 IonicContact CE1-OE2 2.68Å; H921-E924 IonicContact CG-OE2 2.67Å; H921-E924 IonicContact ND1-OE2 2.83Å; H921-E924 PolarHBondContact ND1-OE2 2.91Å; E924-T927 VanDerWaalsContact CA-OG1 3.3Å; E924-T927 WeakPolarHBondContact CA-OG1 3.29Å; E924-T927 CarbonylContact O-C 3.58Å; E924-T927 PolarHBondContact O-N 2.89Å; E924-T927 PolarHBondContact O-OG1 3.27Å; E924-Y928 HydrophobicContact CB-CD2 4.15Å; E924-Y928 HydrophobicContact CB-CE1 4.33Å; E924-Y928 HydrophobicContact CB-CE2 3.61Å; E924-Y928 WeakPolarHBondContact O-CA 3.14Å; E924-Y928 WeakPolarHBondContact O-CB 3.44Å; E924-Y928 WeakPolarHBondContact O-CD2 3.36Å; E924-Y928 PolarHBondContact O-N 2.81Å; E924-Y928 PolarHBondContact OE2-OH 2.85Å
925K47Very low53.2Low42 Ų4229.2 Ų29.218%0.18313%0.133CC..Hα-helixtrans-69-34.5179.6-82.8-179170.5-169.30113.8T247 F248 H921 N922 T927 Y928T247-K925 PolarHBondContact O-NZ 3Å; F248-K925 HydrophobicContact CB-CD 3.68Å; F248-K925 HydrophobicContact CD1-CB 3.42Å; F248-K925 VanDerWaalsContact CD1-CB 3.42Å; F248-K925 HydrophobicContact CD1-CD 3.66Å; F248-K925 HydrophobicContact CD1-CG 4.19Å; F248-K925 HydrophobicContact CD2-CD 3.36Å; F248-K925 HydrophobicContact CE1-CB 3.48Å; F248-K925 VanDerWaalsContact CE1-CB 3.48Å; F248-K925 HydrophobicContact CE1-CD 4.09Å; F248-K925 HydrophobicContact CE1-CG 4.45Å; F248-K925 HydrophobicContact CE2-CD 3.84Å; F248-K925 HydrophobicContact CG-CB 3.96Å; F248-K925 HydrophobicContact CG-CD 3.23Å; F248-K925 HydrophobicContact CG-CG 4.22Å; F248-K925 HydrophobicContact CZ-CB 4.11Å; F248-K925 HydrophobicContact CZ-CD 4.17Å; H921-K925 WeakPolarHBondContact NE2-CE 3.45Å; H921-K925 WeakPolarHBondContact O-CB 3.36Å; H921-K925 PolarHBondContact O-N 2.96Å; N922-K925 PolarHBondContact O-N 3.49Å; K925-T927 VanDerWaalsContact C-N 3.33Å; K925-Y928 HydrophobicContact CB-CD2 4.38Å; K925-Y928 HydrophobicContact CG-CD2 3.93Å; K925-Y928 HydrophobicContact CG-CE2 4.31Å
926I48.5Very low55.1Low57 Ų5728.7 Ų28.729%0.29213%0.129SC..Hα-helixtrans-67.3-36.6170.7-68165000110.2L215 F248 F771 N922 F930L215-I926 HydrophobicContact CD1-CD1 3.75Å; L215-I926 HydrophobicContact CD1-CG1 4.37Å; F248-I926 HydrophobicContact CE1-CG1 4.44Å; F771-I926 HydrophobicContact CE2-CD1 3.83Å; F771-I926 HydrophobicContact CZ-CD1 4.38Å; N922-I926 VanDerWaalsContact O-CB 3.28Å; N922-I926 WeakPolarHBondContact O-CB 3.31Å; N922-I926 WeakPolarHBondContact O-CD1 2.99Å; N922-I926 WeakPolarHBondContact O-CG1 3.43Å; N922-I926 PolarHBondContact O-N 3.37Å; I926-F930 WeakPolarHBondContact O-CD2 3.42Å
927T51.2Low56.7Low39 Ų3928 Ų2824%0.23913%0.127CC..Hα-helixtrans-82.5-26.2176.154.90000113.9Y842 L923 E924 K925 R929 F930 T931Y842-T927 HydrophobicContact CE2-CG2 3.83Å; L923-T927 WeakPolarHBondContact O-CB 3.48Å; L923-T927 VanDerWaalsContact O-CG2 3.28Å; L923-T927 WeakPolarHBondContact O-CG2 3.32Å; L923-T927 PolarHBondContact O-N 2.76Å; L923-T927 PolarHBondContact O-OG1 2.88Å; E924-T927 VanDerWaalsContact CA-OG1 3.3Å; E924-T927 WeakPolarHBondContact CA-OG1 3.29Å; E924-T927 CarbonylContact O-C 3.58Å; E924-T927 PolarHBondContact O-N 2.89Å; E924-T927 PolarHBondContact O-OG1 3.27Å; K925-T927 VanDerWaalsContact C-N 3.33Å; T927-R929 VanDerWaalsContact C-N 3.3Å; T927-R929 PolarHBondContact O-N 3.05Å; T927-F930 WeakPolarHBondContact O-CA 3.27Å; T927-F930 VanDerWaalsContact O-CB 3.27Å; T927-F930 WeakPolarHBondContact O-CB 3.41Å; T927-F930 PolarHBondContact O-N 2.67Å; T927-T931 WeakPolarHBondContact O-CG2 3.46Å; T927-T931 PolarHBondContact O-N 2.9Å
928Y56.2Low58.1Low48 Ų4825.4 Ų25.419%0.18812%0.115CC..Hα-helixtrans-60.2-37.4-170.4-88.3-36.6000112.2P897 I900 H921 E924 K925 F930 T931P897-Y928 HydrophobicContact CB-CD1 3.43Å; P897-Y928 VanDerWaalsContact CB-CD1 3.43Å; P897-Y928 HydrophobicContact CB-CE1 4.18Å; P897-Y928 HydrophobicContact CB-CG 3.79Å; P897-Y928 HydrophobicContact CG-CD1 3.99Å; P897-Y928 HydrophobicContact CG-CE1 4.39Å; P897-Y928 HydrophobicContact CG-CG 4.2Å; I900-Y928 HydrophobicContact CD1-CD1 4.36Å; I900-Y928 HydrophobicContact CD1-CE1 3.49Å; I900-Y928 VanDerWaalsContact CD1-CE1 3.49Å; I900-Y928 HydrophobicContact CG1-CE1 3.9Å; H921-Y928 AromaticContact CE1-CE2 3.8Å; H921-Y928 AromaticContact ND1-CE2 3.83Å; E924-Y928 HydrophobicContact CB-CD2 4.15Å; E924-Y928 HydrophobicContact CB-CE1 4.33Å; E924-Y928 HydrophobicContact CB-CE2 3.61Å; E924-Y928 WeakPolarHBondContact O-CA 3.14Å; E924-Y928 WeakPolarHBondContact O-CB 3.44Å; E924-Y928 WeakPolarHBondContact O-CD2 3.36Å; E924-Y928 PolarHBondContact O-N 2.81Å; E924-Y928 PolarHBondContact OE2-OH 2.85Å; K925-Y928 HydrophobicContact CB-CD2 4.38Å; K925-Y928 HydrophobicContact CG-CD2 3.93Å; K925-Y928 HydrophobicContact CG-CE2 4.31Å; Y928-F930 PolarHBondContact O-N 3.45Å; Y928-F930 VanDerWaalsContact O-N 3.15Å; Y928-T931 PolarHBondContact O-N 3.34Å; Y928-T931 PolarHBondContact O-OG1 2.8Å
929R55.2Low59.2Low165 Ų16527.3 Ų27.362%0.62312%0.123SC*.THydrogen-bonded Turntrans-60.5-20.6174.5-66.2-174.9-178.5171.17.3113.5T927T927-R929 VanDerWaalsContact C-N 3.3Å; T927-R929 PolarHBondContact O-N 3.05Å
930F64.5Low60.2Low42 Ų4235.7 Ų35.718%0.18416%0.159CC..THydrogen-bonded Turntrans-99.64.1178.2-60.4-60.2000112.7Y842 G843 K844 V846 I926 T927 Y928Y842-F930 CarbonylContact C-O 3.12Å; Y842-F930 VanDerWaalsContact CA-O 3.24Å; Y842-F930 WeakPolarHBondContact CA-O 3.25Å; Y842-F930 HydrophobicContact CD2-CB 3.79Å; Y842-F930 HydrophobicContact CE2-CB 3.58Å; Y842-F930 HydrophobicContact CE2-CD2 4.44Å; Y842-F930 HydrophobicContact CE2-CG 4.37Å; G843-F930 PolarHBondContact N-O 2.72Å; G843-F930 WeakPolarHBondContact O-CB 2.99Å; G843-F930 VanDerWaalsContact O-CD1 3.25Å; G843-F930 WeakPolarHBondContact O-CD1 3.35Å; K844-F930 HydrophobicContact CB-CD1 4.04Å; K844-F930 HydrophobicContact CB-CE1 4.16Å; K844-F930 HydrophobicContact CB-CG 4.28Å; K844-F930 HydrophobicContact CB-CZ 4.48Å; K844-F930 HydrophobicContact CD-CE2 4.43Å; K844-F930 HydrophobicContact CD-CZ 4.32Å; K844-F930 HydrophobicContact CG-CD1 4.2Å; K844-F930 HydrophobicContact CG-CE1 3.79Å; K844-F930 HydrophobicContact CG-CE2 4.24Å; K844-F930 HydrophobicContact CG-CZ 3.82Å; V846-F930 HydrophobicContact CG2-CD1 3.88Å; V846-F930 HydrophobicContact CG2-CE1 3.97Å; I926-F930 WeakPolarHBondContact O-CD2 3.42Å; T927-F930 WeakPolarHBondContact O-CA 3.27Å; T927-F930 VanDerWaalsContact O-CB 3.27Å; T927-F930 WeakPolarHBondContact O-CB 3.41Å; T927-F930 PolarHBondContact O-N 2.67Å; Y928-F930 PolarHBondContact O-N 3.45Å; Y928-F930 VanDerWaalsContact O-N 3.15Å
931T67.3Low61.1Low5 Ų536.8 Ų36.83%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-112.4148.9-177.470.10000114I807 F841 Y842 T896 P897 A898 T927 Y928I807-T931 HydrophobicContact CD1-CG2 3.63Å; F841-T931 VanDerWaalsContact O-CA 3.26Å; F841-T931 WeakPolarHBondContact O-CA 3.39Å; Y842-T931 HydrophobicContact CD2-CG2 3.99Å; T896-T931 WeakPolarHBondContact CG2-O 3.36Å; P897-T931 WeakPolarHBondContact CA-OG1 3.23Å; P897-T931 WeakPolarHBondContact CB-OG1 3.21Å; A898-T931 HydrophobicContact CB-CG2 4.47Å; A898-T931 PolarHBondContact N-OG1 2.69Å; T927-T931 WeakPolarHBondContact O-CG2 3.46Å; T927-T931 PolarHBondContact O-N 2.9Å; Y928-T931 PolarHBondContact O-N 3.34Å; Y928-T931 PolarHBondContact O-OG1 2.8Å
932M71.4Confident61.9Low3 Ų339.9 Ų39.92%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-148.2152.4179.2-166177.2-176.800112.6Q840 F841 L847 I850 F878 G895 T896Q840-M932 VanDerWaalsContact CA-O 3.27Å; Q840-M932 WeakPolarHBondContact CA-O 3.28Å; F841-M932 PolarHBondContact N-O 2.95Å; F841-M932 PolarHBondContact O-N 3.05Å; L847-M932 HydrophobicContact CD1-CB 3.89Å; I850-M932 HydrophobicContact CD1-CE 3.54Å; I850-M932 HydrophobicContact CD1-CG 4.13Å; I850-M932 HydrophobicContact CD1-SD 3.58Å; I850-M932 VanDerWaalsContact CD1-SD 3.58Å; I850-M932 HydrophobicContact CG1-CE 4.17Å; I850-M932 HydrophobicContact CG1-SD 4.03Å; F878-M932 HydrophobicContact CB-CE 4.38Å; F878-M932 HydrophobicContact CD1-CE 3.67Å; F878-M932 HydrophobicContact CD2-CE 3.55Å; F878-M932 HydrophobicContact CD2-SD 4.02Å; F878-M932 HydrophobicContact CE1-CE 3.76Å; F878-M932 HydrophobicContact CE2-CE 3.66Å; F878-M932 HydrophobicContact CE2-SD 4.06Å; F878-M932 HydrophobicContact CG-CE 3.57Å; F878-M932 HydrophobicContact CZ-CE 3.77Å; G895-M932 VanDerWaalsContact O-CG 3.23Å; G895-M932 WeakPolarHBondContact O-CG 3.22Å; T896-M932 HydrophobicContact CG2-CB 4.09Å; T896-M932 HydrophobicContact CG2-CG 3.85Å
933F75Confident62.7Low2 Ų245.4 Ų45.41%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-124.2165.917378.1-92.9000114.3F838 C839 I893 G895 P897 F899 M935F838-F933 HydrophobicContact CE2-CB 3.74Å; F838-F933 HydrophobicContact CE2-CD2 4.11Å; F838-F933 HydrophobicContact CE2-CG 4.21Å; F838-F933 HydrophobicContact CZ-CB 3.92Å; C839-F933 CarbonylContact O-C 2.97Å; C839-F933 VanDerWaalsContact O-CA 3.29Å; C839-F933 WeakPolarHBondContact O-CA 3.3Å; I893-F933 HydrophobicContact CG2-CE2 4.02Å; I893-F933 HydrophobicContact CG2-CZ 4.21Å; G895-F933 PolarHBondContact N-O 2.83Å; G895-F933 WeakPolarHBondContact O-CD1 3.21Å; G895-F933 PolarHBondContact O-N 2.75Å; P897-F933 VanDerWaalsContact O-CD1 3.28Å; P897-F933 WeakPolarHBondContact O-CD1 3.37Å; F899-F933 HydrophobicContact CD2-CB 3.9Å; F899-F933 AromaticContact CD2-CD1 3.86Å; F899-F933 HydrophobicContact CD2-CD1 3.86Å; F899-F933 HydrophobicContact CD2-CD2 4.15Å; F899-F933 HydrophobicContact CD2-CE1 4.41Å; F899-F933 AromaticContact CD2-CG 3.71Å; F899-F933 HydrophobicContact CD2-CG 3.71Å; F899-F933 HydrophobicContact CE2-CB 4.2Å; F899-F933 AromaticContact CE2-CD1 3.64Å; F899-F933 HydrophobicContact CE2-CD1 3.64Å; F899-F933 AromaticContact CE2-CD2 3.55Å; F899-F933 HydrophobicContact CE2-CD2 3.55Å; F899-F933 AromaticContact CE2-CE1 3.79Å; F899-F933 HydrophobicContact CE2-CE1 3.79Å; F899-F933 AromaticContact CE2-CE2 3.73Å; F899-F933 HydrophobicContact CE2-CE2 3.73Å; F899-F933 AromaticContact CE2-CG 3.52Å; F899-F933 HydrophobicContact CE2-CG 3.52Å; F899-F933 AromaticContact CE2-CZ 3.84Å; F899-F933 HydrophobicContact CE2-CZ 3.84Å; F899-F933 HydrophobicContact CZ-CE2 4.48Å; F933-M935 HydrophobicContact CD2-CG 4.41Å; F933-M935 HydrophobicContact CE2-CG 4.5Å
934T78.2Confident63.6Low0 Ų053.6 Ų53.60%024%0.241CC..EExtended strand (participates in β ladder)trans-146.9144.1162.8-175.70000113.4F838 C839 I850 W852 I893 T894 C951F838-T934 WeakPolarHBondContact CA-O 3.35Å; C839-T934 HydrophobicContact CB-CG2 4.09Å; C839-T934 PolarHBondContact N-O 2.82Å; C839-T934 PolarHBondContact O-N 2.03Å; I850-T934 HydrophobicContact CD1-CG2 4.28Å; I850-T934 HydrophobicContact CG2-CG2 4.27Å; W852-T934 HydrophobicContact CZ2-CG2 3.8Å; W852-T934 PolarHBondContact NE1-OG1 3.04Å; I893-T934 CarbonylContact O-C 3.42Å; I893-T934 WeakPolarHBondContact O-CA 3.47Å; T894-T934 WeakPolarHBondContact CG2-OG1 3.25Å; T934-C951 HydrophobicContact CG2-CB 4.44Å
935M76.3Confident64.6Low7 Ų753.7 Ų53.73%0.03424%0.242CC..EExtended strand (participates in β ladder)trans-124.5142.2176.6-74.4177.3170.100111.2P836 L837 F838 I892 I893 F899 F933 W937P836-M935 HydrophobicContact CB-CB 4.38Å; L837-M935 CarbonylContact O-C 3.54Å; L837-M935 VanDerWaalsContact O-CA 3.3Å; L837-M935 WeakPolarHBondContact O-CA 3.23Å; F838-M935 HydrophobicContact CD2-CE 3.69Å; F838-M935 HydrophobicContact CD2-CG 3.63Å; F838-M935 HydrophobicContact CE2-CE 3.96Å; F838-M935 HydrophobicContact CE2-CG 4.29Å; I892-M935 WeakPolarHBondContact CA-O 3.25Å; I892-M935 WeakPolarHBondContact CG2-O 2.86Å; I893-M935 HydrophobicContact CB-CB 4.34Å; I893-M935 PolarHBondContact N-O 3.22Å; I893-M935 PolarHBondContact O-N 2.97Å; F899-M935 HydrophobicContact CE1-CE 3.89Å; F899-M935 HydrophobicContact CE2-CE 3.8Å; F899-M935 HydrophobicContact CZ-CE 3.37Å; F899-M935 HydrophobicContact CZ-SD 4.31Å; F933-M935 HydrophobicContact CD2-CG 4.41Å; F933-M935 HydrophobicContact CE2-CG 4.5Å; M935-W937 HydrophobicContact CB-CE3 4.35Å; M935-W937 HydrophobicContact CB-CH2 4.12Å; M935-W937 HydrophobicContact CB-CZ3 3.68Å; M935-W937 HydrophobicContact CG-CH2 4.47Å; M935-W937 HydrophobicContact SD-CH2 3.72Å; M935-W937 HydrophobicContact SD-CZ3 4.22Å
936L77.6Confident65.5Low0 Ų054.3 Ų54.30%024%0.243CC..EExtended strand (participates in β ladder)trans-135.8122.4-179.7166.264.4000111.6P836 L837 W852 I872 L890 I892 Y949P836-L936 CarbonylContact C-O 3.52Å; P836-L936 VanDerWaalsContact CA-O 3.26Å; P836-L936 WeakPolarHBondContact CA-O 3.38Å; L837-L936 HydrophobicContact CB-CB 4.45Å; L837-L936 HydrophobicContact CD1-CD2 4.21Å; L837-L936 PolarHBondContact N-O 3.23Å; L837-L936 PolarHBondContact O-N 3.44Å; W852-L936 HydrophobicContact CD2-CB 4.33Å; W852-L936 HydrophobicContact CD2-CD2 3.85Å; W852-L936 HydrophobicContact CE3-CD2 3.8Å; W852-L936 HydrophobicContact CG-CD2 4.25Å; W852-L936 HydrophobicContact CH2-CB 4.45Å; W852-L936 HydrophobicContact CZ2-CB 3.99Å; W852-L936 HydrophobicContact CZ3-CD2 4.21Å; I872-L936 HydrophobicContact CD1-CD2 3.68Å; L890-L936 HydrophobicContact CB-CD1 4.34Å; L890-L936 HydrophobicContact CD1-CD1 4.37Å; L890-L936 HydrophobicContact CD2-CD1 4.28Å; I892-L936 HydrophobicContact CD1-CD1 3.85Å; I892-L936 HydrophobicContact CG1-CD1 3.61Å; L936-Y949 HydrophobicContact CD2-CD1 4.02Å; L936-Y949 HydrophobicContact CD2-CE1 4.45Å
937W73.3Confident66.5Low12 Ų1252.2 Ų52.25%0.04524%0.236CC..EExtended strand (participates in β ladder)trans-115.8154.7170.7-69.8-96.6000111.6L833 G835 P836 L890 L891 I893 M935 I1021L833-W937 HydrophobicContact CD2-CB 4.42Å; G835-W937 VanDerWaalsContact C-CD1 3.48Å; P836-W937 HydrophobicContact CB-CD2 3.86Å; P836-W937 HydrophobicContact CB-CE3 4.3Å; P836-W937 HydrophobicContact CB-CG 4.31Å; P836-W937 HydrophobicContact CB-CH2 4.31Å; P836-W937 HydrophobicContact CB-CZ2 3.87Å; P836-W937 HydrophobicContact CB-CZ3 4.49Å; P836-W937 HydrophobicContact CG-CZ2 3.93Å; L890-W937 WeakPolarHBondContact CA-O 3.4Å; L891-W937 HydrophobicContact CB-CB 4.21Å; L891-W937 HydrophobicContact CD2-CD2 4.39Å; L891-W937 HydrophobicContact CD2-CE3 4.14Å; L891-W937 HydrophobicContact CG-CE3 4.14Å; L891-W937 PolarHBondContact N-O 2.91Å; L891-W937 PolarHBondContact O-N 2.57Å; I893-W937 HydrophobicContact CB-CZ3 4.37Å; I893-W937 HydrophobicContact CD1-CH2 4Å; I893-W937 HydrophobicContact CD1-CZ3 3.62Å; I893-W937 HydrophobicContact CG1-CZ3 3.8Å; M935-W937 HydrophobicContact CB-CE3 4.35Å; M935-W937 HydrophobicContact CB-CH2 4.12Å; M935-W937 HydrophobicContact CB-CZ3 3.68Å; M935-W937 HydrophobicContact CG-CH2 4.47Å; M935-W937 HydrophobicContact SD-CH2 3.72Å; M935-W937 HydrophobicContact SD-CZ3 4.22Å; W937-I1021 HydrophobicContact CH2-CG2 4.46Å
938L73.9Confident67.8Low8 Ų852 Ų524%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-107.3133.1171.4-51.4-177.9000110.3H834 L890 F941 D945 F966H834-L938 HydrophobicContact CB-CB 4.43Å; H834-L938 PolarHBondContact N-O 2.94Å; H834-L938 PolarHBondContact O-N 2.94Å; L890-L938 HydrophobicContact CD2-CD2 3.39Å; L938-F941 HydrophobicContact CD1-CD2 3.94Å; L938-F941 HydrophobicContact CD1-CE2 4.31Å; L938-D945 HydrophobicContact CD1-CB 3.85Å; L938-F966 HydrophobicContact CD1-CD2 4.48Å; L938-F966 HydrophobicContact CD1-CE2 3.78Å; L938-F966 HydrophobicContact CD1-CZ 4.46Å; L938-F966 HydrophobicContact CG-CE2 4.23Å
939K64.2Low69Low42 Ų4249.9 Ų49.918%0.18322%0.223CC..SBendtrans-83-25.8178.8-74.5-178.5166.3-174.20114.5L833 E886 T887 S889L833-K939 HydrophobicContact CD2-CG 3.9Å; E886-K939 WeakPolarHBondContact OE1-CE 3.44Å; E886-K939 IonicContact OE1-NZ 3.82Å; E886-K939 PolarHBondContact OE1-NZ 3.34Å; T887-K939 WeakPolarHBondContact O-CD 2.77Å; T887-K939 WeakPolarHBondContact O-CE 3.36Å; T887-K939 PolarHBondContact O-NZ 3.16Å; S889-K939 PolarHBondContact O-N 3.21Å
940K63.6Low70.3Confident181 Ų18144 Ų4479%0.78720%0.202SC*.SBendtrans-132.7131172.2-66.8-173.2178-174.60106.2
941F63.8Low71.3Confident44 Ų4442 Ų4219%0.19319%0.193CC..  trans-120.5126-176.9-171.4-84.1000109.4H834 L938 D945 Y946 F966H834-F941 HydrophobicContact CB-CB 3.89Å; H834-F941 HydrophobicContact CB-CD2 3.8Å; H834-F941 HydrophobicContact CB-CG 4.12Å; H834-F941 VanDerWaalsContact CG-CB 3.41Å; H834-F941 AromaticContact CG-CG 3.94Å; H834-F941 WeakPolarHBondContact ND1-CB 3.21Å; H834-F941 AromaticContact ND1-CG 3.73Å; L938-F941 HydrophobicContact CD1-CD2 3.94Å; L938-F941 HydrophobicContact CD1-CE2 4.31Å; F941-D945 HydrophobicContact CD2-CB 4.23Å; F941-D945 HydrophobicContact CE2-CB 4.1Å; F941-Y946 HydrophobicContact CE1-CD1 4.49Å; F941-Y946 HydrophobicContact CE1-CD2 4.06Å; F941-Y946 HydrophobicContact CE1-CE1 4.13Å; F941-Y946 AromaticContact CE1-CE2 3.66Å; F941-Y946 HydrophobicContact CE1-CE2 3.66Å; F941-Y946 HydrophobicContact CE1-CG 4.46Å; F941-Y946 AromaticContact CE1-CZ 3.7Å; F941-Y946 AromaticContact CZ-CD1 3.9Å; F941-Y946 HydrophobicContact CZ-CD1 3.9Å; F941-Y946 HydrophobicContact CZ-CD2 4.13Å; F941-Y946 AromaticContact CZ-CE1 3.78Å; F941-Y946 HydrophobicContact CZ-CE1 3.78Å; F941-Y946 HydrophobicContact CZ-CE2 4.04Å; F941-Y946 HydrophobicContact CZ-CG 4.07Å; F941-Y946 AromaticContact CZ-CZ 3.86Å; F941-F966 HydrophobicContact CE2-CD2 4.24Å; F941-F966 HydrophobicContact CE2-CG 4.32Å
942N60.9Low72.2Confident99 Ų9944 Ų4453%0.52920%0.202SC..  trans-125.2163.7-179-157.9-27.6000109.4K944 D945N942-K944 PolarHBondContact O-N 2.84Å; N942-D945 PolarHBondContact N-OD2 2.86Å; N942-D945 PolarHBondContact O-N 3.3Å
943H57Low72.7Confident119 Ų11943.8 Ų43.855%0.55120%0.201SC*.G310 helixtrans-59.1-17.9-177.5-66.5-81.4000113.8E820E820-H943 IonicContact OE1-CE1 2.64Å
944K63Low73Confident188 Ų18848.1 Ų48.182%0.81722%0.22SC*.G310 helixtrans-77.9-14.5175.8-62.6-174.2179.2-177.40114.3N942N942-K944 PolarHBondContact O-N 2.84Å
945D67.9Low72.9Confident25 Ų2548.1 Ų48.113%0.13422%0.22CC..G310 helixtrans-89.9-5.5-176.3-56.4-56.2000113.2R854 L938 F941 N942 G947 Y949R854-D945 IonicContact NH1-OD1 3.55Å; R854-D945 PolarHBondContact NH1-OD1 3.04Å; L938-D945 HydrophobicContact CD1-CB 3.85Å; F941-D945 HydrophobicContact CD2-CB 4.23Å; F941-D945 HydrophobicContact CE2-CB 4.1Å; N942-D945 PolarHBondContact N-OD2 2.86Å; N942-D945 PolarHBondContact O-N 3.3Å; D945-G947 VanDerWaalsContact C-N 3.34Å; D945-G947 PolarHBondContact O-N 3.42Å; D945-Y949 PolarHBondContact O-OH 2.75Å
946Y66.2Low72.5Confident54 Ų5455.3 Ų55.321%0.21225%0.253CS..  trans-67.787.3166.5-76.3-66.8000110.8F941 F966 Q967F941-Y946 HydrophobicContact CE1-CD1 4.49Å; F941-Y946 HydrophobicContact CE1-CD2 4.06Å; F941-Y946 HydrophobicContact CE1-CE1 4.13Å; F941-Y946 AromaticContact CE1-CE2 3.66Å; F941-Y946 HydrophobicContact CE1-CE2 3.66Å; F941-Y946 HydrophobicContact CE1-CG 4.46Å; F941-Y946 AromaticContact CE1-CZ 3.7Å; F941-Y946 AromaticContact CZ-CD1 3.9Å; F941-Y946 HydrophobicContact CZ-CD1 3.9Å; F941-Y946 HydrophobicContact CZ-CD2 4.13Å; F941-Y946 AromaticContact CZ-CE1 3.78Å; F941-Y946 HydrophobicContact CZ-CE1 3.78Å; F941-Y946 HydrophobicContact CZ-CE2 4.04Å; F941-Y946 HydrophobicContact CZ-CG 4.07Å; F941-Y946 AromaticContact CZ-CZ 3.86Å; Y946-F966 HydrophobicContact CD1-CB 4.17Å; Y946-Q967 WeakPolarHBondContact CE1-O 3.24Å
947G70.3Confident71.9Confident14 Ų1459.7 Ų59.714%0.14428%0.276CS..SBendtrans-151.4-174.3-176.500000114.4D945 Y949 R965 F966D945-G947 VanDerWaalsContact C-N 3.34Å; D945-G947 PolarHBondContact O-N 3.42Å; G947-Y949 WeakPolarHBondContact O-CD2 3.48Å; G947-R965 WeakPolarHBondContact O-CA 3.44Å; G947-F966 PolarHBondContact O-N 2.84Å; G947-F966 VanDerWaalsContact O-N 3.13Å
948Y78.2Confident71.8Confident35 Ų3560.3 Ų60.314%0.13729%0.286CS..EExtended strand (participates in β ladder)trans-93.4146175.4-69.9-106.6000110.8Y855 Y860 H861 R964 R965Y855-Y948 VanDerWaalsContact CB-O 3.3Å; Y855-Y948 WeakPolarHBondContact CB-O 3.41Å; Y855-Y948 PolarHBondContact N-O 3.26Å; Y860-Y948 AromaticContact CD1-CD1 3.75Å; Y860-Y948 HydrophobicContact CD1-CD1 3.75Å; Y860-Y948 HydrophobicContact CD1-CD2 4.34Å; Y860-Y948 AromaticContact CD1-CE1 3.31Å; Y860-Y948 HydrophobicContact CD1-CE1 3.31Å; Y860-Y948 AromaticContact CD1-CE2 3.99Å; Y860-Y948 HydrophobicContact CD1-CE2 3.99Å; Y860-Y948 HydrophobicContact CD1-CG 4.23Å; Y860-Y948 AromaticContact CD1-CZ 3.42Å; Y860-Y948 VanDerWaalsContact CD1-CZ 3.42Å; Y860-Y948 AromaticContact CD2-CD1 3.47Å; Y860-Y948 HydrophobicContact CD2-CD1 3.47Å; Y860-Y948 VanDerWaalsContact CD2-CD1 3.47Å; Y860-Y948 AromaticContact CD2-CD2 3.67Å; Y860-Y948 HydrophobicContact CD2-CD2 3.67Å; Y860-Y948 AromaticContact CD2-CE1 3.94Å; Y860-Y948 HydrophobicContact CD2-CE1 3.94Å; Y860-Y948 HydrophobicContact CD2-CE2 4.14Å; Y860-Y948 AromaticContact CD2-CG 3.29Å; Y860-Y948 HydrophobicContact CD2-CG 3.29Å; Y860-Y948 AromaticContact CE1-CD1 3.74Å; Y860-Y948 HydrophobicContact CE1-CD1 3.74Å; Y860-Y948 AromaticContact CE1-CE1 3.46Å; Y860-Y948 HydrophobicContact CE1-CE1 3.46Å; Y860-Y948 VanDerWaalsContact CE1-CE1 3.46Å; Y860-Y948 AromaticContact CE2-CD1 3.42Å; Y860-Y948 HydrophobicContact CE2-CD1 3.42Å; Y860-Y948 VanDerWaalsContact CE2-CD1 3.42Å; Y860-Y948 HydrophobicContact CE2-CD2 4.44Å; Y860-Y948 HydrophobicContact CE2-CE1 4.03Å; Y860-Y948 AromaticContact CE2-CG 3.64Å; Y860-Y948 HydrophobicContact CE2-CG 3.64Å; Y860-Y948 AromaticContact CG-CD1 3.62Å; Y860-Y948 HydrophobicContact CG-CD1 3.62Å; Y860-Y948 AromaticContact CG-CD2 3.59Å; Y860-Y948 HydrophobicContact CG-CD2 3.59Å; Y860-Y948 AromaticContact CG-CE1 3.57Å; Y860-Y948 HydrophobicContact CG-CE1 3.57Å; Y860-Y948 AromaticContact CG-CE2 3.57Å; Y860-Y948 HydrophobicContact CG-CE2 3.57Å; Y860-Y948 AromaticContact CG-CG 3.61Å; Y860-Y948 HydrophobicContact CG-CG 3.61Å; Y860-Y948 AromaticContact CG-CZ 3.52Å; Y860-Y948 AromaticContact CZ-CD1 3.57Å; Y860-Y948 AromaticContact CZ-CE1 3.82Å; H861-Y948 PolarHBondContact NE2-OH 2.8Å; Y948-R964 CarbonylContact C-O 2.66Å; Y948-R964 WeakPolarHBondContact CA-O 3.48Å; Y948-R965 HydrophobicContact CD1-CB 4.06Å; Y948-R965 HydrophobicContact CD1-CG 4.48Å; Y948-R965 HydrophobicContact CD2-CG 4.44Å; Y948-R965 HydrophobicContact CE1-CB 4.36Å; Y948-R965 HydrophobicContact CE2-CG 4.5Å; Y948-R965 HydrophobicContact CG-CB 4.32Å; Y948-R965 HydrophobicContact CG-CG 4.45Å; Y948-R965 PolarHBondContact OH-NH1 3.45Å
949Y81.9Confident72Confident3 Ų363.4 Ų63.41%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-134.5144-179-66.8-102.5000109.4L837 W853 R854 I872 L936 D945 G947 T963 R964 F966L837-Y949 HydrophobicContact CD1-CD1 4.05Å; L837-Y949 HydrophobicContact CD1-CD2 3.57Å; L837-Y949 HydrophobicContact CD1-CE2 4.2Å; L837-Y949 HydrophobicContact CD1-CG 3.51Å; W853-Y949 CarbonylContact O-C 3.59Å; W853-Y949 WeakPolarHBondContact O-CA 3.41Å; R854-Y949 HydrophobicContact CB-CD1 4.16Å; R854-Y949 HydrophobicContact CB-CE1 3.9Å; R854-Y949 HydrophobicContact CG-CE1 3.93Å; I872-Y949 HydrophobicContact CD1-CD1 3.81Å; I872-Y949 HydrophobicContact CD1-CE1 3.92Å; L936-Y949 HydrophobicContact CD2-CD1 4.02Å; L936-Y949 HydrophobicContact CD2-CE1 4.45Å; D945-Y949 PolarHBondContact O-OH 2.75Å; G947-Y949 WeakPolarHBondContact O-CD2 3.48Å; Y949-T963 CarbonylContact O-C 3.39Å; Y949-T963 VanDerWaalsContact O-CA 3.3Å; Y949-T963 WeakPolarHBondContact O-CA 3.48Å; Y949-R964 PolarHBondContact N-O 3.06Å; Y949-R964 PolarHBondContact O-N 3.06Å; Y949-F966 HydrophobicContact CD2-CD2 4.33Å; Y949-F966 AromaticContact CE2-CD2 3.67Å; Y949-F966 HydrophobicContact CE2-CD2 3.67Å; Y949-F966 HydrophobicContact CE2-CE2 4.05Å
950K82.8Confident72.7Confident42 Ų4265 Ų6518%0.18332%0.315CS..EExtended strand (participates in β ladder)trans-123.7134.6-176.5176.3179.167.4-168.40110.3W852 W853 W869 E962 T963W852-K950 CarbonylContact C-O 3.5Å; W852-K950 VanDerWaalsContact CA-O 3.31Å; W852-K950 WeakPolarHBondContact CA-O 3.48Å; W853-K950 HydrophobicContact CB-CB 4.21Å; W853-K950 PolarHBondContact N-O 3.01Å; W853-K950 PolarHBondContact O-N 3.27Å; W869-K950 HydrophobicContact CE3-CB 4.04Å; W869-K950 HydrophobicContact CH2-CB 3.66Å; W869-K950 HydrophobicContact CZ2-CB 4.38Å; W869-K950 HydrophobicContact CZ2-CD 4.48Å; W869-K950 HydrophobicContact CZ3-CB 3.47Å; W869-K950 VanDerWaalsContact CZ3-CB 3.47Å; K950-E962 WeakPolarHBondContact CA-O 3.43Å; K950-T963 HydrophobicContact CB-CG2 4.09Å; K950-T963 HydrophobicContact CG-CG2 4.19Å
951C84.5Confident73.4Confident0 Ų059.1 Ų59.10%030%0.297CS..EExtended strand (participates in β ladder)trans-118.5136.4178.853.30000109.3C839 K851 W852 T934 S961 E962C839-C951 HydrophobicContact CB-CB 3.71Å; C839-C951 WeakPolarHBondContact CB-SG 3.27Å; C839-C951 WeakPolarHBondContact SG-CB 3.47Å; C839-C951 CovalentContact SG-SG 2.02Å; C839-C951 PolarHBondContact SG-SG 2.87Å; K851-C951 WeakPolarHBondContact O-CA 3.36Å; W852-C951 HydrophobicContact CD2-CB 4.07Å; W852-C951 HydrophobicContact CE3-CB 3.97Å; W852-C951 HydrophobicContact CH2-CB 4.02Å; W852-C951 HydrophobicContact CZ2-CB 4.11Å; W852-C951 HydrophobicContact CZ3-CB 3.94Å; T934-C951 HydrophobicContact CG2-CB 4.44Å; C951-S961 CarbonylContact O-C 3.47Å; C951-S961 WeakPolarHBondContact O-CA 3.49Å; C951-S961 VanDerWaalsContact O-CB 3.29Å; C951-S961 WeakPolarHBondContact O-CB 3.39Å; C951-E962 PolarHBondContact N-O 3.39Å; C951-E962 PolarHBondContact O-N 3.29Å; C951-E962 PolarHBondContact SG-O 2.87Å; C951-E962 VanDerWaalsContact SG-O 3.36Å
952Q86.1Confident73.9Confident45 Ų4558.6 Ų58.621%0.2130%0.295CS..EExtended strand (participates in β ladder)trans-138.4140-171.9178.8178.520.900111.2I850 K851 F960I850-Q952 VanDerWaalsContact CA-O 3.29Å; I850-Q952 WeakPolarHBondContact CA-O 3.4Å; K851-Q952 HydrophobicContact CB-CB 4.48Å; K851-Q952 PolarHBondContact N-O 3.17Å; K851-Q952 VanDerWaalsContact N-O 3.09Å; K851-Q952 PolarHBondContact O-N 3.35Å; Q952-F960 WeakPolarHBondContact CA-O 3.33Å
953S82.6Confident74.4Confident0 Ų056.6 Ų56.60%029%0.287CS..EExtended strand (participates in β ladder)trans-129.5151.6175.166.70000112.7F841 Q849 S959 F960F841-S953 VanDerWaalsContact CD1-OG 3.32Å; F841-S953 WeakPolarHBondContact CD1-OG 3.33Å; F841-S953 WeakPolarHBondContact CD2-OG 3.28Å; F841-S953 WeakPolarHBondContact CG-OG 3.23Å; Q849-S953 WeakPolarHBondContact O-CA 3.34Å; S953-S959 CarbonylContact O-C 3.45Å; S953-S959 VanDerWaalsContact O-CA 3.27Å; S953-S959 WeakPolarHBondContact O-CA 3.28Å; S953-S959 WeakPolarHBondContact O-CB 3.26Å; S953-F960 PolarHBondContact N-O 2.86Å; S953-F960 PolarHBondContact O-N 2.62Å
954K80.9Confident74.9Confident92 Ų9251.7 Ų51.740%0.426%0.264SS..EExtended strand (participates in β ladder)trans-134.9152.6177.3178.7172.6-178.9-172.50112.2L847 N848 Q849 G958L847-K954 CarbonylContact C-O 3.54Å; L847-K954 VanDerWaalsContact CA-O 3.29Å; L847-K954 WeakPolarHBondContact CA-O 3.25Å; N848-K954 PolarHBondContact N-O 2.82Å; N848-K954 PolarHBondContact OD1-O 3.05Å; N848-K954 VanDerWaalsContact OD1-O 3.06Å; Q849-K954 HydrophobicContact CB-CB 4.3Å; Q849-K954 PolarHBondContact O-N 2.77Å; K954-G958 WeakPolarHBondContact CA-O 3.34Å; K954-G958 WeakPolarHBondContact CG-O 3.15Å
955N76.1Confident75Confident0 Ų047.5 Ų47.50%024%0.243CC..  trans-129-166.2159.379.4-11.7000110.7P804 P845 V846 L847 I957 G958P804-N955 WeakPolarHBondContact CD-OD1 3.45Å; P804-N955 HydrophobicContact CG-CB 4.16Å; P804-N955 WeakPolarHBondContact CG-OD1 3.27Å; P845-N955 WeakPolarHBondContact O-CB 3.01Å; P845-N955 PolarHBondContact O-ND2 2.98Å; V846-N955 WeakPolarHBondContact O-CB 3.2Å; L847-N955 HydrophobicContact CD2-CB 4.33Å; N955-I957 WeakPolarHBondContact OD1-CA 3.05Å; N955-I957 PolarHBondContact OD1-N 2.86Å; N955-G958 PolarHBondContact N-O 3.35Å; N955-G958 PolarHBondContact OD1-N 3.47Å; N955-G958 PolarHBondContact OD1-O 2.91Å
956E67.6Low74.8Confident158 Ų15846.5 Ų46.574%0.73824%0.237SC*.SBendtrans-67.7-30.1178.9-62.4174.2161.900113.8P845P845-E956 HydrophobicContact CG-CB 4.1Å; P845-E956 HydrophobicContact CG-CG 4.39Å; P845-E956 WeakPolarHBondContact CG-OE2 3.05Å
957I64.2Low74.3Confident92 Ų9246.6 Ų46.647%0.47224%0.24SC..SBendtrans-87.4-33.8-177.4-58.2175.8000111.9P845 N955P845-I957 VanDerWaalsContact CD-CD1 3.48Å; N955-I957 WeakPolarHBondContact OD1-CA 3.05Å; N955-I957 PolarHBondContact OD1-N 2.86Å
958G71.9Confident73.5Confident26 Ų2654.5 Ų54.527%0.26827%0.265SS..  trans-178-169.9-175.900000115.1K954 N955K954-G958 WeakPolarHBondContact CA-O 3.34Å; K954-G958 WeakPolarHBondContact CG-O 3.15Å; N955-G958 PolarHBondContact N-O 3.35Å; N955-G958 PolarHBondContact OD1-N 3.47Å; N955-G958 PolarHBondContact OD1-O 2.91Å
959S77.9Confident72.3Confident72 Ų7254.4 Ų54.450%0.50327%0.268SS..EExtended strand (participates in β ladder)trans-143148.4-18066.10000112.9S953S953-S959 CarbonylContact O-C 3.45Å; S953-S959 VanDerWaalsContact O-CA 3.27Å; S953-S959 WeakPolarHBondContact O-CA 3.28Å; S953-S959 WeakPolarHBondContact O-CB 3.26Å
960F79.4Confident70.9Confident75 Ų7559.3 Ų59.333%0.32930%0.299SS..EExtended strand (participates in β ladder)trans-132.3156.5-179.1-161.3-87.3000110.7S806 F841 Q952 S953 E962S806-F960 VanDerWaalsContact CB-CE1 3.44Å; S806-F960 WeakPolarHBondContact OG-CE1 3.49Å; S806-F960 WeakPolarHBondContact OG-CZ 3.18Å; F841-F960 HydrophobicContact CD1-CD1 4.07Å; F841-F960 HydrophobicContact CE1-CD1 4.04Å; Q952-F960 WeakPolarHBondContact CA-O 3.33Å; S953-F960 PolarHBondContact N-O 2.86Å; S953-F960 PolarHBondContact O-N 2.62Å; F960-E962 HydrophobicContact CE1-CG 4.09Å
961S78.6Confident69.6Low59 Ų5960.6 Ų60.641%0.41331%0.313SS..EExtended strand (participates in β ladder)trans-151.7149.1178.460.30000113.4C951C951-S961 CarbonylContact O-C 3.47Å; C951-S961 WeakPolarHBondContact O-CA 3.49Å; C951-S961 VanDerWaalsContact O-CB 3.29Å; C951-S961 WeakPolarHBondContact O-CB 3.39Å
962E73.4Confident68.6Low32 Ų3261.5 Ų61.515%0.1532%0.319CS..EExtended strand (participates in β ladder)trans-128.4171.3174.1-68.2-165.2137.800112.1S809 F841 K950 C951 F960 R964S809-E962 VanDerWaalsContact CB-OE1 3.29Å; S809-E962 WeakPolarHBondContact CB-OE1 3.22Å; S809-E962 WeakPolarHBondContact CB-OE2 3.43Å; S809-E962 PolarHBondContact OG-OE1 2.79Å; S809-E962 PolarHBondContact OG-OE2 2.72Å; S809-E962 VanDerWaalsContact OG-OE2 3.1Å; F841-E962 HydrophobicContact CE1-CG 4.43Å; K950-E962 WeakPolarHBondContact CA-O 3.43Å; C951-E962 PolarHBondContact N-O 3.39Å; C951-E962 PolarHBondContact O-N 3.29Å; C951-E962 PolarHBondContact SG-O 2.87Å; C951-E962 VanDerWaalsContact SG-O 3.36Å; F960-E962 HydrophobicContact CE1-CG 4.09Å; E962-R964 IonicContact OE2-CZ 3Å; E962-R964 VanDerWaalsContact OE2-CZ 3.24Å; E962-R964 IonicContact OE2-NH1 2.65Å; E962-R964 PolarHBondContact OE2-NH1 2.72Å; E962-R964 IonicContact OE2-NH2 2.69Å; E962-R964 PolarHBondContact OE2-NH2 3.04Å
963T71.5Confident67.5Low58 Ų5863.7 Ų63.736%0.35633%0.329SS..EExtended strand (participates in β ladder)trans-127.6152.5179.254.60000113.2W869 Y949 K950W869-T963 HydrophobicContact CH2-CG2 4.43Å; Y949-T963 CarbonylContact O-C 3.39Å; Y949-T963 VanDerWaalsContact O-CA 3.3Å; Y949-T963 WeakPolarHBondContact O-CA 3.48Å; K950-T963 HydrophobicContact CB-CG2 4.09Å; K950-T963 HydrophobicContact CG-CG2 4.19Å
964R68.2Low66.7Low16 Ų1665.5 Ų65.56%0.0635%0.345CS..EExtended strand (participates in β ladder)trans-138.9169.2178.1-61.2-62.3-177.4-87.2-14.1110.7S809 L837 F838 Y948 Y949 E962S809-R964 VanDerWaalsContact CB-NH2 3.33Å; S809-R964 PolarHBondContact OG-NH2 2.87Å; L837-R964 HydrophobicContact CB-CB 4.47Å; L837-R964 HydrophobicContact CD2-CB 4.13Å; F838-R964 PolarHBondContact O-NE 2.95Å; F838-R964 PolarHBondContact O-NH2 2.99Å; Y948-R964 CarbonylContact C-O 2.66Å; Y948-R964 WeakPolarHBondContact CA-O 3.48Å; Y949-R964 PolarHBondContact N-O 3.06Å; Y949-R964 PolarHBondContact O-N 3.06Å; E962-R964 IonicContact OE2-CZ 3Å; E962-R964 VanDerWaalsContact OE2-CZ 3.24Å; E962-R964 IonicContact OE2-NH1 2.65Å; E962-R964 PolarHBondContact OE2-NH1 2.72Å; E962-R964 IonicContact OE2-NH2 2.69Å; E962-R964 PolarHBondContact OE2-NH2 3.04Å
965R64.6Low66.2Low100 Ų10061.3 Ų61.338%0.37733%0.327SS..EExtended strand (participates in β ladder)trans-154.6134.6-177.8172.4173.7-177.6-177.8-2.9113.3G947 Y948 Q967G947-R965 WeakPolarHBondContact O-CA 3.44Å; Y948-R965 HydrophobicContact CD1-CB 4.06Å; Y948-R965 HydrophobicContact CD1-CG 4.48Å; Y948-R965 HydrophobicContact CD2-CG 4.44Å; Y948-R965 HydrophobicContact CE1-CB 4.36Å; Y948-R965 HydrophobicContact CE2-CG 4.5Å; Y948-R965 HydrophobicContact CG-CB 4.32Å; Y948-R965 HydrophobicContact CG-CG 4.45Å; Y948-R965 PolarHBondContact OH-NH1 3.45Å; R965-Q967 HydrophobicContact CG-CG 3.92Å
966F63Low65.7Low3 Ų366.2 Ų66.21%0.01336%0.357CS..  trans-78.5136.2160.7-69.3-59.5000110.3I816 L837 L938 F941 Y946 G947 Y949I816-F966 HydrophobicContact CB-CD1 4.35Å; I816-F966 HydrophobicContact CD1-CE1 4.39Å; L837-F966 HydrophobicContact CD1-CD2 4.22Å; L837-F966 HydrophobicContact CD1-CE2 3.68Å; L837-F966 HydrophobicContact CD1-CZ 3.89Å; L837-F966 HydrophobicContact CD2-CD1 4.03Å; L837-F966 HydrophobicContact CD2-CD2 4.49Å; L837-F966 HydrophobicContact CD2-CE1 3.76Å; L837-F966 HydrophobicContact CD2-CE2 4.25Å; L837-F966 HydrophobicContact CD2-CG 4.39Å; L837-F966 HydrophobicContact CD2-CZ 3.89Å; L837-F966 HydrophobicContact CG-CE1 4.02Å; L837-F966 HydrophobicContact CG-CE2 3.97Å; L837-F966 HydrophobicContact CG-CZ 3.64Å; L938-F966 HydrophobicContact CD1-CD2 4.48Å; L938-F966 HydrophobicContact CD1-CE2 3.78Å; L938-F966 HydrophobicContact CD1-CZ 4.46Å; L938-F966 HydrophobicContact CG-CE2 4.23Å; F941-F966 HydrophobicContact CE2-CD2 4.24Å; F941-F966 HydrophobicContact CE2-CG 4.32Å; Y946-F966 HydrophobicContact CD1-CB 4.17Å; G947-F966 PolarHBondContact O-N 2.84Å; G947-F966 VanDerWaalsContact O-N 3.13Å; Y949-F966 HydrophobicContact CD2-CD2 4.33Å; Y949-F966 AromaticContact CE2-CD2 3.67Å; Y949-F966 HydrophobicContact CE2-CD2 3.67Å; Y949-F966 HydrophobicContact CE2-CE2 4.05Å
967Q55.8Low65.8Low57 Ų5764.7 Ų64.727%0.26635%0.348SS..  trans-124.5144.9-174.9-62-169.510.600112.1I816 Y946 R965I816-Q967 CarbonylContact C-O 3.3Å; Y946-Q967 WeakPolarHBondContact CE1-O 3.24Å; R965-Q967 HydrophobicContact CG-CG 3.92Å
968R53.6Low66.3Low180 Ų18060.8 Ų60.868%0.67933%0.327SS*.  trans-71145.2175-172-178-66.1-146.52.8110.1
969P53.2Low66.3Low32 Ų3264.5 Ų64.521%0.20833%0.334CS..  trans-51138.7173.7-17.918.8000114.4S817 I818S817-P969 VanDerWaalsContact CB-CA 3.5Å; I818-P969 WeakPolarHBondContact O-CG 3.22Å
970T52.3Low66Low107 Ų10764.8 Ų64.866%0.65633%0.327SS*.  trans-143.1166.9171.559.10000110.9
971S55.8Low65.4Low69 Ų6966 Ų6648%0.48334%0.336SS..PPolyproline II helixtrans-66.2154.3176-42.30000112.7H1134S971-H1134 WeakPolarHBondContact CB-O 3.4Å; S971-H1134 PolarHBondContact OG-O 2.73Å
972P62.8Low65Low18 Ų1869.3 Ų69.312%0.11734%0.343CS..PPolyproline II helixtrans-67.7152.2-173.5-20.833.5000115.1R1130 G1135 S1137P972-R1130 HydrophobicContact CB-CB 3.89Å; P972-R1130 HydrophobicContact CG-CB 4.43Å; P972-G1135 WeakPolarHBondContact CD-O 3.27Å; P972-S1137 WeakPolarHBondContact O-CB 3.19Å
973Q64.7Low64.8Low91 Ų9168.8 Ų68.843%0.42534%0.343SS..PPolyproline II helixtrans-71.4146.3172.1-64.3-161.7-8.400112.8G996 R1130Q973-G996 PolarHBondContact OE1-O 3.46Å; Q973-R1130 WeakPolarHBondContact O-CD 3.31Å; Q973-R1130 PolarHBondContact O-NH1 2.78Å; Q973-R1130 VanDerWaalsContact O-NH1 3.17Å
974A66Low65Low39 Ų3968.7 Ų68.732%0.32234%0.343SS..PPolyproline II helixtrans-69.4155.1179.400000113.7K1138A974-K1138 HydrophobicContact CB-CB 4.04Å; A974-K1138 VanDerWaalsContact CB-O 3.28Å; A974-K1138 WeakPolarHBondContact CB-O 3.46Å
975I69.7Low65Low4 Ų469.3 Ų69.32%0.02135%0.349CS..PPolyproline II helixtrans-85.1122.4178.1-60.6169.5000109.3L978 W992 Y1038 I1128 R1130 S1140I975-L978 HydrophobicContact CG2-CD2 3.97Å; I975-W992 HydrophobicContact CD1-CG 4.42Å; I975-W992 HydrophobicContact CG2-CB 3.77Å; I975-W992 HydrophobicContact CG2-CG 4.15Å; I975-Y1038 HydrophobicContact CD1-CD1 3.99Å; I975-Y1038 HydrophobicContact CD1-CE1 3.87Å; I975-I1128 HydrophobicContact CD1-CB 3.92Å; I975-I1128 HydrophobicContact CD1-CG2 3.48Å; I975-I1128 VanDerWaalsContact CD1-CG2 3.48Å; I975-R1130 HydrophobicContact CD1-CG 4.32Å; I975-R1130 HydrophobicContact CG1-CG 4.34Å; I975-S1140 VanDerWaalsContact O-CA 3.31Å; I975-S1140 WeakPolarHBondContact O-CA 3.36Å; I975-S1140 WeakPolarHBondContact O-CB 3.37Å
976T66.3Low65.3Low103 Ų10365.2 Ų65.263%0.63234%0.335SS*.  trans-82.2-36.1-16851.10000114.5
977K68.7Low65.8Low126 Ų12666.2 Ų66.255%0.54834%0.342SS..  trans-151.6141.1179.9-169.8165.2-176.3173.20112.2Y979K977-Y979 HydrophobicContact CB-CE2 4.36Å; K977-Y979 HydrophobicContact CG-CE2 4.25Å
978L74.3Confident66.8Low9 Ų963.5 Ų63.55%0.04733%0.33CS..EExtended strand (participates in β ladder)trans-104.1156.5171.8-54.1-176.3000110.4I975 I990 F991 W992 V1126 I1128 S1140 L1143I975-L978 HydrophobicContact CG2-CD2 3.97Å; L978-I990 HydrophobicContact CB-CG2 4.41Å; L978-F991 CarbonylContact C-O 3.48Å; L978-W992 HydrophobicContact CD2-CB 3.87Å; L978-V1126 HydrophobicContact CD1-CG1 3.71Å; L978-I1128 HydrophobicContact CD1-CD1 4.37Å; L978-I1128 HydrophobicContact CD1-CG1 4.12Å; L978-I1128 HydrophobicContact CD2-CB 4.3Å; L978-I1128 HydrophobicContact CD2-CD1 3.81Å; L978-I1128 HydrophobicContact CD2-CG1 4.07Å; L978-S1140 WeakPolarHBondContact CD1-OG 3.38Å; L978-L1143 HydrophobicContact CB-CB 4.04Å; L978-L1143 HydrophobicContact CB-CD2 3.76Å; L978-L1143 HydrophobicContact CB-CG 4.49Å; L978-L1143 HydrophobicContact CD1-CB 4.08Å
979Y73Confident68.1Low105 Ų10555.6 Ų55.641%0.41230%0.302SS..EExtended strand (participates in β ladder)trans-134.5132.7-179.3-60.6-97.7000110.2K977 I990 F991K977-Y979 HydrophobicContact CB-CE2 4.36Å; K977-Y979 HydrophobicContact CG-CE2 4.25Å; Y979-I990 CarbonylContact O-C 3.19Å; Y979-I990 WeakPolarHBondContact O-CA 3.41Å; Y979-I990 WeakPolarHBondContact O-CG2 3.47Å; Y979-F991 AromaticContact CD2-CD1 3.95Å; Y979-F991 HydrophobicContact CD2-CD1 3.95Å; Y979-F991 HydrophobicContact CD2-CE1 4.39Å; Y979-F991 HydrophobicContact CG-CD1 4.33Å; Y979-F991 PolarHBondContact N-O 3.29Å; Y979-F991 PolarHBondContact O-N 2.88Å
980H70.3Confident69.4Low77 Ų7754.1 Ų54.136%0.35629%0.292SS..EExtended strand (participates in β ladder)trans-90125.4172.5168.5-94.3000109.9K982 S983 L1143H980-K982 PolarHBondContact NE2-O 2.79Å; H980-S983 WeakPolarHBondContact NE2-CB 3.02Å; H980-S983 PolarHBondContact NE2-N 2.99Å; H980-L1143 HydrophobicContact CB-CD2 4.21Å
981I68.3Low70.6Confident102 Ų10252.8 Ų52.852%0.52328%0.277SS..EExtended strand (participates in β ladder)trans-91.9-50.5-179.5-66.2172.4000111T989 F991I981-T989 HydrophobicContact CD1-CG2 4.25Å; I981-T989 PolarHBondContact N-O 2.96Å; I981-F991 HydrophobicContact CD1-CB 3.76Å; I981-F991 HydrophobicContact CG1-CB 4.29Å
982K68.6Low71.3Confident128 Ų12849.5 Ų49.556%0.55725%0.254SS*.EExtended strand (participates in β ladder)trans-161.1149.7-178.463.1-175.7-178.4-178.50111.1H980 A988 T989H980-K982 PolarHBondContact NE2-O 2.79Å; K982-A988 CarbonylContact O-C 3.56Å; K982-A988 VanDerWaalsContact O-CA 3.29Å; K982-A988 WeakPolarHBondContact O-CA 3.5Å; K982-T989 VanDerWaalsContact CE-OG1 3.24Å; K982-T989 WeakPolarHBondContact CE-OG1 3.35Å; K982-T989 PolarHBondContact O-N 3.33Å
983S70.1Confident71.2Confident21 Ų2154.8 Ų54.815%0.14728%0.275CS..EExtended strand (participates in β ladder)trans-125.8144.4164.863.70000111.6H980 S987 R1146 K1148H980-S983 WeakPolarHBondContact NE2-CB 3.02Å; H980-S983 PolarHBondContact NE2-N 2.99Å; S983-S987 CarbonylContact C-O 3.48Å; S983-S987 VanDerWaalsContact CA-O 3.29Å; S983-S987 WeakPolarHBondContact CA-O 3.38Å; S983-R1146 PolarHBondContact OG-O 2.69Å; S983-R1146 VanDerWaalsContact OG-O 3.05Å; S983-K1148 VanDerWaalsContact O-CE 3.29Å; S983-K1148 WeakPolarHBondContact O-CE 3.15Å
984T75.2Confident70.6Confident56 Ų5652.3 Ų52.334%0.34427%0.267SS..  trans-102.5-162168.472.40000109T986 S987 K1148T984-T986 VanDerWaalsContact C-N 3.33Å; T984-T986 PolarHBondContact OG1-N 2.8Å; T984-S987 WeakPolarHBondContact CG2-OG 3.25Å; T984-S987 PolarHBondContact N-O 2.9Å; T984-S987 PolarHBondContact OG1-N 2.93Å; T984-S987 PolarHBondContact OG1-O 2.57Å; T984-S987 PolarHBondContact OG1-OG 3.44Å; T984-K1148 PolarHBondContact O-N 2.7Å
985S68.9Low69.6Low28 Ų2850.9 Ų50.920%0.19626%0.257CS..SBendtrans-72.7-21.316750.60000113.5P1120S985-P1120 WeakPolarHBondContact O-CA 3.49Å
986T71.4Confident68.2Low15 Ų1551.8 Ų51.89%0.09227%0.266CS..SBendtrans-140.310-173.854.60000115.3T984 S1116 G1117 L1118 N1173 A1175T984-T986 VanDerWaalsContact C-N 3.33Å; T984-T986 PolarHBondContact OG1-N 2.8Å; T986-S1116 WeakPolarHBondContact O-CA 3.03Å; T986-G1117 PolarHBondContact O-N 2.84Å; T986-L1118 VanDerWaalsContact CA-O 3.28Å; T986-L1118 WeakPolarHBondContact CA-O 3.46Å; T986-L1118 WeakPolarHBondContact CB-O 3.03Å; T986-L1118 WeakPolarHBondContact CG2-O 3.02Å; T986-L1118 PolarHBondContact O-N 3.29Å; T986-N1173 PolarHBondContact OG1-ND2 3.18Å; T986-A1175 HydrophobicContact CG2-CB 4.04Å
987S73.2Confident67Low23 Ų2352.1 Ų52.116%0.16126%0.257CS..EExtended strand (participates in β ladder)trans-150.3156.6179.763.80000113.5S983 T984 I1115S983-S987 CarbonylContact C-O 3.48Å; S983-S987 VanDerWaalsContact CA-O 3.29Å; S983-S987 WeakPolarHBondContact CA-O 3.38Å; T984-S987 WeakPolarHBondContact CG2-OG 3.25Å; T984-S987 PolarHBondContact N-O 2.9Å; T984-S987 PolarHBondContact OG1-N 2.93Å; T984-S987 PolarHBondContact OG1-O 2.57Å; T984-S987 PolarHBondContact OG1-OG 3.44Å; S987-I1115 CarbonylContact C-O 3.48Å; S987-I1115 WeakPolarHBondContact CA-O 3.44Å; S987-I1115 WeakPolarHBondContact CB-O 3.41Å
988A77.1Confident65.5Low0 Ų050 Ų500%025%0.249CC..EExtended strand (participates in β ladder)trans-146.4139.2175.700000112K982 I1115 L1118 F1145K982-A988 CarbonylContact O-C 3.56Å; K982-A988 VanDerWaalsContact O-CA 3.29Å; K982-A988 WeakPolarHBondContact O-CA 3.5Å; A988-I1115 PolarHBondContact N-O 3.07Å; A988-I1115 PolarHBondContact O-N 2.82Å; A988-L1118 HydrophobicContact CB-CD1 3.98Å; A988-F1145 HydrophobicContact CB-CD2 3.81Å; A988-F1145 HydrophobicContact CB-CE2 3.32Å; A988-F1145 HydrophobicContact CB-CZ 3.87Å
989T80.4Confident63.5Low15 Ų1551.8 Ų51.89%0.09226%0.262CS..EExtended strand (participates in β ladder)trans-108.6129.6178.1-40.70000110.4I981 K982 I1113 N1114I981-T989 HydrophobicContact CD1-CG2 4.25Å; I981-T989 PolarHBondContact N-O 2.96Å; K982-T989 VanDerWaalsContact CE-OG1 3.24Å; K982-T989 WeakPolarHBondContact CE-OG1 3.35Å; K982-T989 PolarHBondContact O-N 3.33Å; T989-I1113 CarbonylContact C-O 3.59Å; T989-I1113 WeakPolarHBondContact CA-O 3.41Å; T989-I1113 WeakPolarHBondContact CG2-O 3.45Å; T989-N1114 HydrophobicContact CG2-CB 4.35Å; T989-N1114 PolarHBondContact OG1-OD1 2.84Å
990I80.2Confident61.7Low0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-130.2139.6-171.5-53.2-179.4000109.9L978 Y979 Y1112 I1113 I1115 V1126 L1143 F1145L978-I990 HydrophobicContact CB-CG2 4.41Å; Y979-I990 CarbonylContact O-C 3.19Å; Y979-I990 WeakPolarHBondContact O-CA 3.41Å; Y979-I990 WeakPolarHBondContact O-CG2 3.47Å; I990-Y1112 CarbonylContact O-C 3.14Å; I990-Y1112 VanDerWaalsContact O-CA 3.25Å; I990-Y1112 WeakPolarHBondContact O-CA 3.25Å; I990-Y1112 WeakPolarHBondContact O-CB 3.41Å; I990-I1113 HydrophobicContact CB-CD1 4.25Å; I990-I1113 HydrophobicContact CB-CG1 3.86Å; I990-I1113 PolarHBondContact N-O 2.76Å; I990-I1113 PolarHBondContact O-N 2.89Å; I990-I1115 HydrophobicContact CD1-CD1 3.93Å; I990-V1126 HydrophobicContact CD1-CB 4.38Å; I990-V1126 HydrophobicContact CD1-CG1 3.68Å; I990-V1126 HydrophobicContact CG2-CG1 4.5Å; I990-L1143 HydrophobicContact CG2-CD2 3.93Å; I990-F1145 HydrophobicContact CD1-CD1 4.26Å; I990-F1145 HydrophobicContact CD1-CE1 3.71Å; I990-F1145 HydrophobicContact CD1-CZ 4.26Å
991F77.8Confident59.9Low80 Ų8048.8 Ų48.835%0.35126%0.264SS..EExtended strand (participates in β ladder)trans-130.5153.3-176.2165.9-95.3000111.5L978 Y979 I981 N1111L978-F991 CarbonylContact C-O 3.48Å; Y979-F991 AromaticContact CD2-CD1 3.95Å; Y979-F991 HydrophobicContact CD2-CD1 3.95Å; Y979-F991 HydrophobicContact CD2-CE1 4.39Å; Y979-F991 HydrophobicContact CG-CD1 4.33Å; Y979-F991 PolarHBondContact N-O 3.29Å; Y979-F991 PolarHBondContact O-N 2.88Å; I981-F991 HydrophobicContact CD1-CB 3.76Å; I981-F991 HydrophobicContact CG1-CB 4.29Å; F991-N1111 HydrophobicContact CD2-CB 4.5Å; F991-N1111 WeakPolarHBondContact CD2-O 3.46Å; F991-N1111 HydrophobicContact CE2-CB 4.19Å
992W70.4Confident58.3Low0 Ų045.3 Ų45.30%025%0.247CC..EExtended strand (participates in β ladder)trans-134.9149.7171.559.890.1000111.8I975 L978 Y1038 T1107 N1111 I1113 I1128I975-W992 HydrophobicContact CD1-CG 4.42Å; I975-W992 HydrophobicContact CG2-CB 3.77Å; I975-W992 HydrophobicContact CG2-CG 4.15Å; L978-W992 HydrophobicContact CD2-CB 3.87Å; W992-Y1038 AromaticContact CE2-CE1 3.85Å; W992-Y1038 AromaticContact CZ2-CD1 3.96Å; W992-Y1038 HydrophobicContact CZ2-CD1 3.96Å; W992-Y1038 AromaticContact CZ2-CE1 3.78Å; W992-Y1038 HydrophobicContact CZ2-CE1 3.78Å; W992-Y1038 HydrophobicContact CZ2-CE2 4.39Å; W992-Y1038 HydrophobicContact CZ2-CG 4.34Å; W992-Y1038 AromaticContact NE1-CE1 3.62Å; W992-Y1038 AromaticContact NE1-CZ 3.95Å; W992-T1107 HydrophobicContact CH2-CG2 4.05Å; W992-T1107 HydrophobicContact CZ2-CG2 4.14Å; W992-N1111 PolarHBondContact N-O 2.94Å; W992-N1111 PolarHBondContact NE1-OD1 3.32Å; W992-N1111 WeakPolarHBondContact O-CB 3.12Å; W992-I1113 HydrophobicContact CH2-CG2 3.99Å; W992-I1113 HydrophobicContact CZ3-CG1 4.3Å; W992-I1113 HydrophobicContact CZ3-CG2 3.95Å; W992-I1128 HydrophobicContact CD2-CD1 4.26Å; W992-I1128 HydrophobicContact CE3-CD1 3.44Å; W992-I1128 VanDerWaalsContact CE3-CD1 3.44Å; W992-I1128 HydrophobicContact CH2-CD1 4.37Å; W992-I1128 HydrophobicContact CZ3-CD1 3.51Å
993K61.2Low56.5Low128 Ų12845.3 Ų45.356%0.55725%0.253SS*.PPolyproline II helixtrans-79.9133.5165.8-171177.2-179.4179.80108.3G995K993-G995 PolarHBondContact O-N 2.91Å
994P52.4Low54.7Low39 Ų3946.2 Ų46.225%0.25326%0.256SS..PPolyproline II helixtrans-60.9120.9173.322.8-31.9000110.3
995G43.7Very low52.7Low10 Ų1047.1 Ų47.110%0.10326%0.264CS..PPolyproline II helixtrans-67.8153.616700000110.9K993 R1130K993-G995 PolarHBondContact O-N 2.91Å; G995-R1130 PolarHBondContact O-NH1 2.88Å; G995-R1130 PolarHBondContact O-NH2 3.1Å
996G40.5Very low51.1Low22 Ų2248.2 Ų48.223%0.22727%0.265CS..SBendtrans-64.8-178.4-159.900000117.9Q973 H998Q973-G996 PolarHBondContact OE1-O 3.46Å; G996-H998 PolarHBondContact O-N 2.77Å; G996-H998 VanDerWaalsContact O-N 3.15Å
997Y40.9Very low49.3Very low110 Ų11056 Ų5643%0.43130%0.3SS..SBendtrans66.3-5179.8-76.7-91.2000118.3
998H38.3Very low47.4Very low82 Ų8258.7 Ų58.738%0.3831%0.312SS..SBendtrans-130.292.3153.5-66.1-54000108.9G996G996-H998 PolarHBondContact O-N 2.77Å; G996-H998 VanDerWaalsContact O-N 3.15Å
999S31.8Very low45.7Very low47 Ų4763.5 Ų63.533%0.32934%0.338SS..  trans-58.5141.7174.554.20000111
1000S35.4Very low44.1Very low56 Ų5668.8 Ų68.839%0.39236%0.356SS..  trans-48.2149.7171.4-56.20000112V1002S1000-V1002 PolarHBondContact O-N 2.83Å
1001P31.3Very low42.2Very low63 Ų6373.2 Ų73.241%0.40938%0.38SS..  trans-56114.1-176.322.7-34.3000111.2N1003 Q1033P1001-N1003 PolarHBondContact O-N 3.48Å; P1001-Q1033 HydrophobicContact CB-CG 4.36Å
1002V34.6Very low40.5Very low28 Ų2875.4 Ų75.417%0.1740%0.395CS..  trans-83.398.6178.5-174.90000108.1F810 T901 S1000 I1004F810-V1002 HydrophobicContact CE1-CB 4.49Å; F810-V1002 HydrophobicContact CE1-CG1 4Å; F810-V1002 HydrophobicContact CZ-CG1 4.38Å; T901-V1002 HydrophobicContact CG2-CG1 3.64Å; S1000-V1002 PolarHBondContact O-N 2.83Å; V1002-I1004 HydrophobicContact CG1-CG1 3.99Å; V1002-I1004 PolarHBondContact O-N 3.06Å
1003N30.9Very low39.1Very low128 Ų12879 Ų7968%0.68442%0.421SS*.  trans-64.1102.5166.5-89.8-4.9000109P1001 S1005P1001-N1003 PolarHBondContact O-N 3.48Å; N1003-S1005 PolarHBondContact O-N 2.83Å
1004I32.8Very low38.2Very low41 Ų4173.8 Ų73.821%0.2140%0.399CS..  trans-83.888.6173.3-56.4-165.1000109F810 F899 V1002 Y1006 L1025F810-I1004 HydrophobicContact CE1-CD1 3.85Å; F810-I1004 HydrophobicContact CZ-CD1 3.82Å; F899-I1004 HydrophobicContact CD1-CD1 4.32Å; F899-I1004 HydrophobicContact CD1-CG2 3.58Å; F899-I1004 HydrophobicContact CE1-CG2 3.8Å; V1002-I1004 HydrophobicContact CG1-CG1 3.99Å; V1002-I1004 PolarHBondContact O-N 3.06Å; I1004-Y1006 PolarHBondContact O-N 2.04Å; I1004-L1025 HydrophobicContact CB-CD2 4.1Å; I1004-L1025 HydrophobicContact CD1-CD2 3.65Å; I1004-L1025 HydrophobicContact CG1-CD2 3.97Å
1005S33.3Very low37.9Very low74 Ų7474 Ų7452%0.51740%0.398SS..  trans-73.1109.9169.553.50000110.2S902 N1003S902-S1005 PolarHBondContact OG-OG 3.24Å; N1003-S1005 PolarHBondContact O-N 2.83Å
1006Y35.7Very low38.1Very low52 Ų5282.2 Ų82.220%0.20443%0.431CS..  trans-108.7119.1178.1-134.5-23.8000108.8F899 I1004 R1018F899-Y1006 HydrophobicContact CD1-CE2 4.23Å; F899-Y1006 AromaticContact CE1-CD2 3.89Å; F899-Y1006 HydrophobicContact CE1-CD2 3.89Å; F899-Y1006 AromaticContact CE1-CE2 3.35Å; F899-Y1006 HydrophobicContact CE1-CE2 3.35Å; F899-Y1006 AromaticContact CE1-CZ 3.81Å; F899-Y1006 HydrophobicContact CE2-CE2 4.19Å; F899-Y1006 WeakPolarHBondContact CE2-OH 3.24Å; F899-Y1006 HydrophobicContact CZ-CD2 4.29Å; F899-Y1006 AromaticContact CZ-CE2 3.34Å; F899-Y1006 HydrophobicContact CZ-CE2 3.34Å; F899-Y1006 AromaticContact CZ-CZ 3.67Å; F899-Y1006 WeakPolarHBondContact CZ-OH 3.43Å; I1004-Y1006 PolarHBondContact O-N 2.04Å; Y1006-R1018 HydrophobicContact CD2-CG 4.34Å
1007Q33.3Very low38.4Very low179 Ų17983.7 Ų83.784%0.83643%0.433SS*.  trans-136.1135.4-173.9-157.8164.4100113.3
1008D33.1Very low38.8Very low78 Ų7879.6 Ų79.642%0.41742%0.417SS..  trans63.4-173.5174.5-150.17.5000118.8R1010 R1018D1008-R1010 WeakPolarHBondContact OD1-CG 3.41Å; D1008-R1010 IonicContact OD1-NE 3.85Å; D1008-R1010 PolarHBondContact OD1-NE 2.81Å; D1008-R1010 IonicContact OD2-CZ 2.91Å; D1008-R1010 IonicContact OD2-NE 3.9Å; D1008-R1010 PolarHBondContact OD2-NE 3.44Å; D1008-R1010 IonicContact OD2-NH2 3.78Å; D1008-R1010 PolarHBondContact OD2-NH2 3.39Å; D1008-R1010 VanDerWaalsContact OD2-NH2 3.11Å; D1008-R1018 PolarHBondContact O-NH2 3.07Å
1009L42.4Very low39.3Very low102 Ų10280 Ų8053%0.53442%0.422SS..  trans78.952.6-167.5-51.9-174.3000115.7N1011L1009-N1011 PolarHBondContact O-N 3.43Å
1010R46.5Very low40.1Very low126 Ų12684.9 Ų84.948%0.47544%0.437SS..  40.938.2117.7-46.8-173.3-173.7-132.3-6120.7E244 D1008E244-R1010 VanDerWaalsContact CD-NH2 3.31Å; E244-R1010 IonicContact OE1-CZ 2.78Å; E244-R1010 IonicContact OE1-NH1 2.64Å; E244-R1010 PolarHBondContact OE1-NH1 3.41Å; E244-R1010 IonicContact OE1-NH2 2.87Å; E244-R1010 PolarHBondContact OE1-NH2 2.89Å; E244-R1010 IonicContact OE2-CZ 2.61Å; E244-R1010 IonicContact OE2-NH1 2.67Å; E244-R1010 PolarHBondContact OE2-NH1 2.81Å; E244-R1010 IonicContact OE2-NH2 3.57Å; E244-R1010 PolarHBondContact OE2-NH2 2.78Å; D1008-R1010 WeakPolarHBondContact OD1-CG 3.41Å; D1008-R1010 IonicContact OD1-NE 3.85Å; D1008-R1010 PolarHBondContact OD1-NE 2.81Å; D1008-R1010 IonicContact OD2-CZ 2.91Å; D1008-R1010 IonicContact OD2-NE 3.9Å; D1008-R1010 PolarHBondContact OD2-NE 3.44Å; D1008-R1010 IonicContact OD2-NH2 3.78Å; D1008-R1010 PolarHBondContact OD2-NH2 3.39Å; D1008-R1010 VanDerWaalsContact OD2-NH2 3.11Å
1011N39.2Very low40.8Very low93 Ų9383 Ų8350%0.49742%0.422SS..  trans-140113.2166.6-159.7-29.4000109.7L1009 S1013 V1014 N1015L1009-N1011 PolarHBondContact O-N 3.43Å; N1011-S1013 PolarHBondContact O-N 3.45Å; N1011-S1013 PolarHBondContact OD1-OG 3.02Å; N1011-V1014 HydrophobicContact CB-CB 4.45Å; N1011-V1014 HydrophobicContact CB-CG2 4.16Å; N1011-V1014 CarbonylContact O-C 3.44Å; N1011-V1014 WeakPolarHBondContact O-CA 3.22Å; N1011-V1014 WeakPolarHBondContact O-CB 3.37Å; N1011-V1014 PolarHBondContact O-N 3.04Å; N1011-N1015 PolarHBondContact O-N 2.84Å
1012D42.2Very low41.7Very low125 Ų12583.2 Ų83.267%0.66842%0.418SS*.Hα-helixtrans-67.2-24.2-165.9-78.3-49.3000114.7V1014 N1015 K1016D1012-V1014 VanDerWaalsContact C-N 3.32Å; D1012-N1015 PolarHBondContact O-N 2.94Å; D1012-N1015 PolarHBondContact OD1-ND2 3.41Å; D1012-K1016 PolarHBondContact O-N 2.86Å
1013S41.8Very low42.4Very low77 Ų7786.8 Ų86.854%0.53844%0.436SS..Hα-helixtrans-59.7-41.8167.457.50000112N1011N1011-S1013 PolarHBondContact O-N 3.45Å; N1011-S1013 PolarHBondContact OD1-OG 3.02Å
1014V42.9Very low43.1Very low17 Ų1784.2 Ų84.210%0.10342%0.422CS..Hα-helixtrans-78.2-30.6178.2-175.20000111.5I882 N1011 D1012 K1016 I1017 R1018I882-V1014 HydrophobicContact CB-CG1 4.32Å; I882-V1014 HydrophobicContact CD1-CG1 3.82Å; I882-V1014 HydrophobicContact CG1-CG1 4.07Å; N1011-V1014 HydrophobicContact CB-CB 4.45Å; N1011-V1014 HydrophobicContact CB-CG2 4.16Å; N1011-V1014 CarbonylContact O-C 3.44Å; N1011-V1014 WeakPolarHBondContact O-CA 3.22Å; N1011-V1014 WeakPolarHBondContact O-CB 3.37Å; N1011-V1014 PolarHBondContact O-N 3.04Å; D1012-V1014 VanDerWaalsContact C-N 3.32Å; V1014-K1016 PolarHBondContact O-N 3Å; V1014-I1017 WeakPolarHBondContact O-CB 3.23Å; V1014-I1017 PolarHBondContact O-N 3.24Å; V1014-I1017 VanDerWaalsContact O-N 3.12Å; V1014-R1018 PolarHBondContact O-N 3.44Å
1015N45.8Very low44Very low44 Ų4483.5 Ų83.524%0.23542%0.419CS..Hα-helixtrans-57.5-45.2177.4-71.1-17000112.2N1011 D1012 I1017 R1018 N1019N1011-N1015 PolarHBondContact O-N 2.84Å; D1012-N1015 PolarHBondContact O-N 2.94Å; D1012-N1015 PolarHBondContact OD1-ND2 3.41Å; N1015-I1017 VanDerWaalsContact C-N 3.29Å; N1015-I1017 PolarHBondContact O-N 2.96Å; N1015-R1018 PolarHBondContact O-N 2.79Å; N1015-R1018 PolarHBondContact OD1-NH1 2.97Å; N1015-N1019 PolarHBondContact O-N 2.9Å; N1015-N1019 PolarHBondContact O-OD1 2.77Å
1016K48.1Very low44.7Very low183 Ų18382.9 Ų82.980%0.79641%0.414SS*.Hα-helixtrans-61.5-35.5176-71.2-178.6177.5177.30113D1012 V1014D1012-K1016 PolarHBondContact O-N 2.86Å; V1014-K1016 PolarHBondContact O-N 3Å
1017I45.5Very low45.2Very low53 Ų5385.6 Ų85.627%0.27243%0.431SS..Hα-helixtrans-69.8-48.4175.7-84.4166.8000111.2I882 I884 V1014 N1015 N1019 K1020 I1021I882-I1017 HydrophobicContact CG2-CG2 4.12Å; I884-I1017 HydrophobicContact CD1-CB 4.46Å; I884-I1017 HydrophobicContact CD1-CD1 4.44Å; I884-I1017 HydrophobicContact CD1-CG1 4.06Å; I884-I1017 HydrophobicContact CD1-CG2 3.8Å; I884-I1017 HydrophobicContact CG1-CD1 4.5Å; I884-I1017 HydrophobicContact CG1-CG2 4.21Å; V1014-I1017 WeakPolarHBondContact O-CB 3.23Å; V1014-I1017 PolarHBondContact O-N 3.24Å; V1014-I1017 VanDerWaalsContact O-N 3.12Å; N1015-I1017 VanDerWaalsContact C-N 3.29Å; N1015-I1017 PolarHBondContact O-N 2.96Å; I1017-N1019 VanDerWaalsContact C-N 3.35Å; I1017-N1019 PolarHBondContact O-N 3.09Å; I1017-K1020 PolarHBondContact O-N 2.85Å; I1017-I1021 HydrophobicContact CG2-CD1 4.02Å; I1017-I1021 PolarHBondContact O-N 3.47Å
1018R49Very low45.8Very low24 Ų2480.1 Ų80.19%0.09140%0.403CS..Hα-helixtrans-56.8-46-175.8-165.6-169.5-68.2100.6-8.2111.9Y1006 D1008 V1014 N1015 K1020 I1021 Q1022Y1006-R1018 HydrophobicContact CD2-CG 4.34Å; D1008-R1018 PolarHBondContact O-NH2 3.07Å; V1014-R1018 PolarHBondContact O-N 3.44Å; N1015-R1018 PolarHBondContact O-N 2.79Å; N1015-R1018 PolarHBondContact OD1-NH1 2.97Å; R1018-K1020 VanDerWaalsContact C-N 3.3Å; R1018-K1020 PolarHBondContact O-N 2.89Å; R1018-I1021 PolarHBondContact O-N 2.92Å; R1018-Q1022 PolarHBondContact O-N 3.45Å
1019N50.3Low46.7Very low89 Ų8978 Ų7848%0.47639%0.391SS..Hα-helixtrans-63.9-34.9-177.9-64.99.7000112.3N1015 I1017 Q1022 N1023N1015-N1019 PolarHBondContact O-N 2.9Å; N1015-N1019 PolarHBondContact O-OD1 2.77Å; I1017-N1019 VanDerWaalsContact C-N 3.35Å; I1017-N1019 PolarHBondContact O-N 3.09Å; N1019-Q1022 PolarHBondContact O-N 3.01Å; N1019-N1023 PolarHBondContact O-N 2.71Å; N1019-N1023 VanDerWaalsContact O-N 3.08Å
1020K48.7Very low46.9Very low151 Ų15179.5 Ų79.566%0.65739%0.393SS*.Hα-helixtrans-66.9-38.4177.5-158177.8-175.2-173.90111.4I1017 R1018 L1024I1017-K1020 PolarHBondContact O-N 2.85Å; R1018-K1020 VanDerWaalsContact C-N 3.3Å; R1018-K1020 PolarHBondContact O-N 2.89Å; K1020-L1024 WeakPolarHBondContact O-CG 2.99Å; K1020-L1024 PolarHBondContact O-N 2.92Å
1021I50.3Low47Very low15 Ų1580.6 Ų80.68%0.07740%0.402CS..Hα-helixtrans-68.5-44.7175.4-56.4166.8000110.8I893 W937 I1017 R1018 N1023 L1024 L1025I893-I1021 HydrophobicContact CD1-CD1 3.63Å; I893-I1021 HydrophobicContact CD1-CG1 3.71Å; I893-I1021 HydrophobicContact CG2-CD1 4.21Å; W937-I1021 HydrophobicContact CH2-CG2 4.46Å; I1017-I1021 HydrophobicContact CG2-CD1 4.02Å; I1017-I1021 PolarHBondContact O-N 3.47Å; R1018-I1021 PolarHBondContact O-N 2.92Å; I1021-N1023 PolarHBondContact O-N 2.71Å; I1021-L1024 PolarHBondContact O-N 3.37Å; I1021-L1025 PolarHBondContact O-N 3.01Å
1022Q49.8Very low47.5Very low68 Ų6879 Ų7932%0.31839%0.393SS..Hα-helixtrans-60.1-43.1179-77.1179.3-45.900112.3R1018 N1019 L1025 S1026R1018-Q1022 PolarHBondContact O-N 3.45Å; N1019-Q1022 PolarHBondContact O-N 3.01Å; Q1022-L1025 PolarHBondContact O-N 2.97Å; Q1022-S1026 WeakPolarHBondContact O-CB 3.39Å; Q1022-S1026 PolarHBondContact O-N 2.98Å; Q1022-S1026 PolarHBondContact O-OG 2.87Å
1023N48.8Very low47.8Very low104 Ų10476.8 Ų76.856%0.55638%0.378SS*.Hα-helixtrans-64.8-40.6176.7-76.8-3.5000112.7N1019 I1021 L1025 S1026 I1027N1019-N1023 PolarHBondContact O-N 2.71Å; N1019-N1023 VanDerWaalsContact O-N 3.08Å; I1021-N1023 PolarHBondContact O-N 2.71Å; N1023-L1025 VanDerWaalsContact C-N 3.34Å; N1023-L1025 PolarHBondContact O-N 3.09Å; N1023-S1026 PolarHBondContact O-OG 3.22Å; N1023-I1027 WeakPolarHBondContact O-CB 3.27Å; N1023-I1027 WeakPolarHBondContact O-CD1 2.87Å; N1023-I1027 WeakPolarHBondContact O-CG1 3.02Å; N1023-I1027 PolarHBondContact O-N 3.18Å
1024L46.6Very low48.1Very low73 Ų7378.5 Ų78.538%0.38238%0.381SS..Hα-helixtrans-62.3-41.3175.6-72.3168.3000111.8L833 K1020 I1021 W1028L833-L1024 HydrophobicContact CD1-CD1 4.37Å; L833-L1024 HydrophobicContact CD1-CD2 4.44Å; K1020-L1024 WeakPolarHBondContact O-CG 2.99Å; K1020-L1024 PolarHBondContact O-N 2.92Å; I1021-L1024 PolarHBondContact O-N 3.37Å; L1024-W1028 WeakPolarHBondContact O-CB 3.43Å; L1024-W1028 PolarHBondContact O-N 2.79Å
1025L50.8Low48.5Very low27 Ų2782.3 Ų82.314%0.14140%0.399CS..Hα-helixtrans-73.9-38.4-178.9-160.589.3000113I1004 I1021 Q1022 N1023 W1028 L1029I1004-L1025 HydrophobicContact CB-CD2 4.1Å; I1004-L1025 HydrophobicContact CD1-CD2 3.65Å; I1004-L1025 HydrophobicContact CG1-CD2 3.97Å; I1021-L1025 PolarHBondContact O-N 3.01Å; Q1022-L1025 PolarHBondContact O-N 2.97Å; N1023-L1025 VanDerWaalsContact C-N 3.34Å; N1023-L1025 PolarHBondContact O-N 3.09Å; L1025-W1028 PolarHBondContact O-N 3.09Å; L1025-L1029 HydrophobicContact CD2-CD1 4.2Å; L1025-L1029 HydrophobicContact CG-CD1 4.42Å; L1025-L1029 WeakPolarHBondContact O-CG 3.35Å; L1025-L1029 PolarHBondContact O-N 3.24Å
1026S48.2Very low49.1Very low61 Ų6182.9 Ų82.943%0.42740%0.4SS..Hα-helixtrans-69.9-40.5-178.564.10000112.4Q1022 N1023 W1028 L1029 K1030Q1022-S1026 WeakPolarHBondContact O-CB 3.39Å; Q1022-S1026 PolarHBondContact O-N 2.98Å; Q1022-S1026 PolarHBondContact O-OG 2.87Å; N1023-S1026 PolarHBondContact O-OG 3.22Å; S1026-W1028 VanDerWaalsContact C-N 3.27Å; S1026-W1028 PolarHBondContact O-N 2.81Å; S1026-L1029 PolarHBondContact O-N 2.86Å; S1026-K1030 PolarHBondContact O-N 2.69Å; S1026-K1030 VanDerWaalsContact O-N 3.14Å
1027I46.3Very low49.9Very low108 Ų10878.9 Ų78.955%0.55438%0.384SS*.Hα-helixtrans-61.2-38172.7-66.9168.6000110.8N1023 K1031N1023-I1027 WeakPolarHBondContact O-CB 3.27Å; N1023-I1027 WeakPolarHBondContact O-CD1 2.87Å; N1023-I1027 WeakPolarHBondContact O-CG1 3.02Å; N1023-I1027 PolarHBondContact O-N 3.18Å; I1027-K1031 PolarHBondContact O-N 3.41Å
1028W46.1Very low51.5Low65 Ų6576.5 Ų76.525%0.24637%0.372CS..Hα-helixtrans-70.3-47.6177.7178.788.2000112.7I816 L1024 L1025 S1026 K1030 K1031 I1032I816-W1028 HydrophobicContact CD1-CZ2 3.8Å; I816-W1028 HydrophobicContact CG1-CZ2 4.01Å; L1024-W1028 WeakPolarHBondContact O-CB 3.43Å; L1024-W1028 PolarHBondContact O-N 2.79Å; L1025-W1028 PolarHBondContact O-N 3.09Å; S1026-W1028 VanDerWaalsContact C-N 3.27Å; S1026-W1028 PolarHBondContact O-N 2.81Å; W1028-K1030 PolarHBondContact O-N 2.78Å; W1028-K1031 PolarHBondContact O-N 2.61Å; W1028-I1032 HydrophobicContact CD2-CD1 3.94Å; W1028-I1032 HydrophobicContact CE3-CD1 4.15Å; W1028-I1032 HydrophobicContact CH2-CD1 3.69Å; W1028-I1032 HydrophobicContact CZ2-CD1 3.46Å; W1028-I1032 VanDerWaalsContact CZ2-CD1 3.46Å; W1028-I1032 HydrophobicContact CZ3-CD1 4.03Å; W1028-I1032 PolarHBondContact O-N 2.93Å
1029L50.7Low52.8Low32 Ų3275.5 Ų75.517%0.16837%0.369CS..Hα-helixtrans-58-47.3178.2-80.8169.5000112L1025 S1026 K1031 I1032 Q1033L1025-L1029 HydrophobicContact CD2-CD1 4.2Å; L1025-L1029 HydrophobicContact CG-CD1 4.42Å; L1025-L1029 WeakPolarHBondContact O-CG 3.35Å; L1025-L1029 PolarHBondContact O-N 3.24Å; S1026-L1029 PolarHBondContact O-N 2.86Å; L1029-K1031 PolarHBondContact O-N 3.28Å; L1029-I1032 PolarHBondContact O-N 3.48Å; L1029-I1032 VanDerWaalsContact O-N 3.08Å; L1029-Q1033 PolarHBondContact O-N 3.36Å
1030K47.9Very low54.2Low134 Ų13471.3 Ų71.358%0.58335%0.346SS*.Hα-helixtrans-60.9-45.1-177.5-170.6171.6-178.6177.20112S1026 W1028 I1032 Q1033 D1034S1026-K1030 PolarHBondContact O-N 2.69Å; S1026-K1030 VanDerWaalsContact O-N 3.14Å; W1028-K1030 PolarHBondContact O-N 2.78Å; K1030-I1032 PolarHBondContact O-N 3.41Å; K1030-I1032 VanDerWaalsContact O-N 3.08Å; K1030-Q1033 PolarHBondContact O-N 3.42Å; K1030-D1034 PolarHBondContact O-N 3.4Å
1031K48.4Very low55.6Low150 Ų15064.4 Ų64.465%0.65232%0.317SS*.Hα-helixtrans-57.9-22.5175.9-85.4-174.7172.6179.60114.3I1027 W1028 L1029 M1035I1027-K1031 PolarHBondContact O-N 3.41Å; W1028-K1031 PolarHBondContact O-N 2.61Å; L1029-K1031 PolarHBondContact O-N 3.28Å; K1031-M1035 WeakPolarHBondContact O-CE 3.25Å
1032I50Low56.8Low60 Ų6063.9 Ų63.931%0.30831%0.314SS..Hα-helixtrans-86.1-33.5176.5-66.2172.3000111.7W1028 L1029 K1030W1028-I1032 HydrophobicContact CD2-CD1 3.94Å; W1028-I1032 HydrophobicContact CE3-CD1 4.15Å; W1028-I1032 HydrophobicContact CH2-CD1 3.69Å; W1028-I1032 HydrophobicContact CZ2-CD1 3.46Å; W1028-I1032 VanDerWaalsContact CZ2-CD1 3.46Å; W1028-I1032 HydrophobicContact CZ3-CD1 4.03Å; W1028-I1032 PolarHBondContact O-N 2.93Å; L1029-I1032 PolarHBondContact O-N 3.48Å; L1029-I1032 VanDerWaalsContact O-N 3.08Å; K1030-I1032 PolarHBondContact O-N 3.41Å; K1030-I1032 VanDerWaalsContact O-N 3.08Å
1033Q47.7Very low58Low78 Ų7863.2 Ų63.236%0.36431%0.311SS..Hα-helixtrans-65.5-42178.2-66.7178.1-92.500111.8P1001 L1029 K1030 M1035P1001-Q1033 HydrophobicContact CB-CG 4.36Å; L1029-Q1033 PolarHBondContact O-N 3.36Å; K1030-Q1033 PolarHBondContact O-N 3.42Å; Q1033-M1035 PolarHBondContact O-N 2.97Å
1034D48.9Very low59Low113 Ų11358.8 Ų58.860%0.60429%0.288SS*.THydrogen-bonded Turntrans-67.52.7-175.2-59.1-23.8000114.5K1030K1030-D1034 PolarHBondContact O-N 3.4Å
1035M51.5Low59.9Low96 Ų9658 Ų5847%0.47328%0.282SS..THydrogen-bonded Turntrans-111.75.5-173.4-66.8-159.6-71.200115.9K1031 Q1033K1031-M1035 WeakPolarHBondContact O-CE 3.25Å; Q1033-M1035 PolarHBondContact O-N 2.97Å
1036Q57.6Low60.4Low56 Ų5657.4 Ų57.426%0.26228%0.282SS..  trans-106.6131.5-176.7-59.5-16818.800113.5N1106Q1036-N1106 PolarHBondContact O-OD1 2.78Å
1037Q65.2Low61Low99 Ų9956.9 Ų56.946%0.46327%0.274SS..EExtended strand (participates in β ladder)trans-129.3161.9170.3-72.6179.7-18.200110.7I1131Q1037-I1131 HydrophobicContact CB-CB 4.03Å; Q1037-I1131 HydrophobicContact CB-CG2 4.26Å; Q1037-I1131 PolarHBondContact N-O 3.21Å; Q1037-I1131 PolarHBondContact O-N 3.47Å
1038Y77.9Confident61Low4 Ų454 Ų542%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-129.2146.4178.2-67.1-96.9000110.5I975 W992 I1105 T1107 I1128 S1129 R1130I975-Y1038 HydrophobicContact CD1-CD1 3.99Å; I975-Y1038 HydrophobicContact CD1-CE1 3.87Å; W992-Y1038 AromaticContact CE2-CE1 3.85Å; W992-Y1038 AromaticContact CZ2-CD1 3.96Å; W992-Y1038 HydrophobicContact CZ2-CD1 3.96Å; W992-Y1038 AromaticContact CZ2-CE1 3.78Å; W992-Y1038 HydrophobicContact CZ2-CE1 3.78Å; W992-Y1038 HydrophobicContact CZ2-CE2 4.39Å; W992-Y1038 HydrophobicContact CZ2-CG 4.34Å; W992-Y1038 AromaticContact NE1-CE1 3.62Å; W992-Y1038 AromaticContact NE1-CZ 3.95Å; Y1038-I1105 PolarHBondContact N-O 2.93Å; Y1038-I1105 PolarHBondContact O-N 2.76Å; Y1038-T1107 HydrophobicContact CD2-CG2 3.7Å; Y1038-T1107 HydrophobicContact CE2-CG2 4.15Å; Y1038-T1107 WeakPolarHBondContact CE2-OG1 3.46Å; Y1038-T1107 HydrophobicContact CG-CG2 4.34Å; Y1038-I1128 HydrophobicContact CD1-CG2 3.91Å; Y1038-S1129 CarbonylContact C-O 3.55Å; Y1038-S1129 VanDerWaalsContact CA-O 3.3Å; Y1038-S1129 WeakPolarHBondContact CA-O 3.5Å; Y1038-R1130 HydrophobicContact CD1-CG 3.99Å; Y1038-R1130 HydrophobicContact CE1-CG 3.56Å
1039S77.6Confident60.7Low3 Ų355.5 Ų55.52%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-118.3131.9169130.70000109.6E1102 F1103 I1128 S1129 K1136S1039-E1102 PolarHBondContact OG-OE2 2.77Å; S1039-F1103 CarbonylContact C-O 3.51Å; S1039-F1103 VanDerWaalsContact CA-O 3.3Å; S1039-F1103 WeakPolarHBondContact CA-O 3.46Å; S1039-I1128 CarbonylContact O-C 3.56Å; S1039-I1128 WeakPolarHBondContact O-CA 3.37Å; S1039-S1129 WeakPolarHBondContact CB-OG 3.3Å; S1039-S1129 PolarHBondContact N-O 3.18Å; S1039-S1129 PolarHBondContact O-N 2.77Å; S1039-S1129 PolarHBondContact O-OG 3.02Å; S1039-S1129 PolarHBondContact OG-OG 2.86Å; S1039-S1129 VanDerWaalsContact OG-OG 3.09Å; S1039-K1136 WeakPolarHBondContact OG-CE 3.47Å; S1039-K1136 PolarHBondContact OG-NZ 2.91Å
1040I79.8Confident59.8Low0 Ų063 Ų630%031%0.314CS..EExtended strand (participates in β ladder)trans-126.1116.5-168.8-50.8-168.2000108.9E1102 F1103 I1105 I1113 V1126 T1127 I1128I1040-E1102 CarbonylContact O-C 3.52Å; I1040-E1102 VanDerWaalsContact O-CA 3.3Å; I1040-E1102 WeakPolarHBondContact O-CA 3.38Å; I1040-F1103 PolarHBondContact N-O 2.94Å; I1040-F1103 PolarHBondContact O-N 3.46Å; I1040-I1105 HydrophobicContact CD1-CD1 3.64Å; I1040-I1105 HydrophobicContact CG1-CD1 4.28Å; I1040-I1113 HydrophobicContact CD1-CD1 3.75Å; I1040-I1113 HydrophobicContact CD1-CG2 3.73Å; I1040-I1113 HydrophobicContact CG2-CD1 4.2Å; I1040-V1126 HydrophobicContact CG2-CG2 3.71Å; I1040-T1127 WeakPolarHBondContact CA-O 3.4Å; I1040-I1128 HydrophobicContact CD1-CD1 4.48Å; I1040-I1128 HydrophobicContact CG1-CG1 4.34Å; I1040-I1128 HydrophobicContact CG1-CG2 4.24Å; I1040-I1128 HydrophobicContact CG2-CG1 4.22Å
1041S77.1Confident58.9Low7 Ų763.1 Ų63.15%0.04932%0.319CS..EExtended strand (participates in β ladder)trans-97.5122.4173-177.70000110Q1100 S1101 V1126 T1127S1041-Q1100 PolarHBondContact OG-NE2 3.14Å; S1041-S1101 CarbonylContact C-O 3.44Å; S1041-S1101 VanDerWaalsContact CA-O 3.27Å; S1041-S1101 WeakPolarHBondContact CA-O 3.3Å; S1041-V1126 CarbonylContact O-C 3.49Å; S1041-V1126 VanDerWaalsContact O-CA 3.26Å; S1041-V1126 WeakPolarHBondContact O-CA 3.5Å; S1041-V1126 VanDerWaalsContact O-CG2 3.22Å; S1041-V1126 WeakPolarHBondContact O-CG2 3.43Å; S1041-T1127 PolarHBondContact N-O 3.14Å; S1041-T1127 PolarHBondContact O-N 3.12Å
1042L76.8Confident57.8Low3 Ų362.5 Ų62.52%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-112.3139.5170.9-172.674.4000110.5Q1100 S1101 F1103 I1115 L1118 Y1124 T1125 V1126 F1145 I1213L1042-Q1100 WeakPolarHBondContact O-CA 3.36Å; L1042-S1101 PolarHBondContact N-O 2.87Å; L1042-S1101 PolarHBondContact O-N 3.07Å; L1042-S1101 PolarHBondContact O-OG 3.32Å; L1042-F1103 HydrophobicContact CB-CE2 4.03Å; L1042-I1115 HydrophobicContact CD1-CD1 4.39Å; L1042-I1115 HydrophobicContact CD2-CG2 4.33Å; L1042-L1118 HydrophobicContact CD2-CD2 3.92Å; L1042-Y1124 HydrophobicContact CD1-CD1 4.38Å; L1042-Y1124 HydrophobicContact CD2-CD1 4.36Å; L1042-Y1124 HydrophobicContact CG-CD1 4.33Å; L1042-T1125 WeakPolarHBondContact CA-O 3.25Å; L1042-V1126 HydrophobicContact CB-CG2 4.23Å; L1042-V1126 HydrophobicContact CD1-CB 3.95Å; L1042-V1126 HydrophobicContact CD1-CG2 3.77Å; L1042-F1145 HydrophobicContact CD1-CE1 4.39Å; L1042-F1145 HydrophobicContact CD1-CZ 4.29Å; L1042-I1213 HydrophobicContact CD2-CD1 4.08Å
1043E73.5Confident56.7Low55 Ų5567.2 Ų67.226%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-127.7134.3179.9-62.3164.1162.300110.7H1045 V1099 Q1100 Y1124 T1125E1043-H1045 IonicContact OE2-NE2 3.96Å; E1043-V1099 CarbonylContact C-O 3.49Å; E1043-V1099 VanDerWaalsContact CA-O 3.3Å; E1043-V1099 WeakPolarHBondContact CA-O 3.27Å; E1043-Q1100 HydrophobicContact CG-CB 4.26Å; E1043-Q1100 HydrophobicContact CG-CG 3.94Å; E1043-Y1124 VanDerWaalsContact O-CA 3.28Å; E1043-Y1124 WeakPolarHBondContact O-CA 3.01Å; E1043-Y1124 WeakPolarHBondContact O-CD1 3.3Å; E1043-T1125 WeakPolarHBondContact CB-OG1 3.37Å; E1043-T1125 PolarHBondContact N-O 2.91Å; E1043-T1125 PolarHBondContact O-N 3.14Å; E1043-T1125 PolarHBondContact OE2-OG1 3Å
1044D69.9Low55.6Low10 Ų1066.5 Ų66.55%0.05337%0.368CS..EExtended strand (participates in β ladder)trans-103.6125.1172.7-164.7-24.3000111.2G1046 V1099 H1122 Y1124 Y1228D1044-G1046 WeakPolarHBondContact OD1-CA 3.33Å; D1044-G1046 PolarHBondContact OD1-N 2.61Å; D1044-V1099 PolarHBondContact N-O 2.95Å; D1044-H1122 VanDerWaalsContact CG-ND1 3.3Å; D1044-H1122 IonicContact OD1-CE1 3.83Å; D1044-H1122 IonicContact OD1-CG 3.7Å; D1044-H1122 IonicContact OD1-ND1 2.75Å; D1044-H1122 PolarHBondContact OD1-ND1 3.47Å; D1044-H1122 IonicContact OD2-CE1 2.9Å; D1044-H1122 IonicContact OD2-ND1 3.85Å; D1044-H1122 PolarHBondContact OD2-ND1 3.09Å; D1044-Y1124 HydrophobicContact CB-CD1 3.98Å; D1044-Y1124 HydrophobicContact CB-CE1 3.51Å; D1044-Y1124 VanDerWaalsContact OD2-CE1 3.25Å; D1044-Y1124 WeakPolarHBondContact OD2-CE1 3.31Å; D1044-Y1124 VanDerWaalsContact OD2-CZ 3.29Å; D1044-Y1124 PolarHBondContact OD2-OH 3.29Å; D1044-Y1228 PolarHBondContact OD2-OH 3.3Å
1045H65.2Low54.5Low58 Ų5867.5 Ų67.527%0.26938%0.378SS..  trans-102.8-2.1177.5-60.7-91.6000113.4E1043 L1123 T1125E1043-H1045 IonicContact OE2-NE2 3.96Å; H1045-L1123 HydrophobicContact CB-CB 4.43Å; H1045-L1123 HydrophobicContact CB-CD2 4.43Å; H1045-L1123 HydrophobicContact CB-CG 4.5Å; H1045-L1123 PolarHBondContact N-O 2.97Å; H1045-T1125 PolarHBondContact NE2-OG1 3.07Å
1046G62.4Low53.1Low13 Ų1371.5 Ų71.513%0.13440%0.396CS..  trans76.6-161.9-179.800000114.9D1044 L1123D1044-G1046 WeakPolarHBondContact OD1-CA 3.33Å; D1044-G1046 PolarHBondContact OD1-N 2.61Å; G1046-L1123 PolarHBondContact O-N 2.87Å; G1046-L1123 VanDerWaalsContact O-N 3.1Å
1047I59.7Low51.5Low51 Ų5173.9 Ų73.926%0.26242%0.419SS..  trans-87.7116.7-178.7-52.8160.2000110.1S1049 H1122 Y1264I1047-S1049 PolarHBondContact O-N 2.79Å; I1047-H1122 VanDerWaalsContact CG1-CD2 3.48Å; I1047-H1122 WeakPolarHBondContact CG1-CD2 3.37Å; I1047-Y1264 HydrophobicContact CD1-CE1 4.34Å; I1047-Y1264 HydrophobicContact CD1-CE2 4.44Å; I1047-Y1264 VanDerWaalsContact CD1-OH 3.22Å; I1047-Y1264 WeakPolarHBondContact CD1-OH 3.48Å
1048T48Very low49.4Very low47 Ų4777.2 Ų77.229%0.28843%0.434SS..  trans-83101.5171.147.50000111F1050 L1123T1048-F1050 PolarHBondContact O-N 2.92Å; T1048-F1050 VanDerWaalsContact O-N 3.12Å; T1048-L1123 HydrophobicContact CG2-CD2 4.31Å
1049S39.7Very low46.8Very low97 Ų9784.5 Ų84.568%0.67847%0.472SS*.  trans-76.291.5170.555.50000110.3I1047I1047-S1049 PolarHBondContact O-N 2.79Å
1050F31.4Very low44.2Very low190 Ų19093 Ų9383%0.83352%0.517SS*.PPolyproline II helixtrans-70.2135.8164.6-94.6-92000109.8T1048 T1052T1048-F1050 PolarHBondContact O-N 2.92Å; T1048-F1050 VanDerWaalsContact O-N 3.12Å; F1050-T1052 PolarHBondContact O-N 3.3Å
1051L27.8Very low41.4Very low135 Ų135100.7 Ų100.771%0.70755%0.553SS**PPolyproline II helixtrans-73.6126.5-173.9-64.5103.5000111.3
1052T26.7Very low38.9Very low138 Ų138107 Ų10785%0.84759%0.593SS**PPolyproline II helixtrans-71.5131.5131.846.80000107.3F1050F1050-T1052 PolarHBondContact O-N 3.3Å
1053N26.2Very low36.3Very low159 Ų159110.9 Ų110.985%0.8562%0.62SS**SBendtrans-66.2147.1-171.1-65.2-39.8000112.6
1054G25Very low33.9Very low63 Ų63117.8 Ų117.865%0.64965%0.65SS**  trans122.3120.116600000114.8
1055T24.8Very low31.8Very low133 Ų133121.9 Ų121.982%0.81668%0.679SS**  trans22.3103.9142.951.70000119
1056E23.7Very low29.9Very low181 Ų181127.4 Ų127.485%0.84671%0.71SS**  36.2128.9127.8-58.7-173.8142.600121.5
1057S22.4Very low28Very low106 Ų106132.9 Ų132.974%0.74174%0.736SS**  trans86.7132.8149.185.10000119.4
1058H21.9Very low26.2Very low168 Ų168137.3 Ų137.378%0.77876%0.76SS**  trans47.4118.4163-58.3-69.4000121.9
1059L23.2Very low25.2Very low158 Ų158140.3 Ų140.383%0.82778%0.783SS**  trans55102.5140.3-60.3169.9000118.2
1060L22.1Very low24.6Very low181 Ų181143.6 Ų143.695%0.94879%0.793SS**  trans-115.8115.3157.6-78.6167.7000109.7
1061E21.8Very low24.4Very low162 Ų162142.3 Ų142.376%0.75779%0.793SS**  trans-81.8139.5175.9-63.3-176.7127.400111.1S1063E1061-S1063 PolarHBondContact O-N 2.99Å
1062P24.5Very low24.2Very low139 Ų139145.2 Ų145.290%0.90380%0.8SS**SBendtrans-82.256.5-179.335.3-36.7000112.2
1063S22.2Very low24Very low84 Ų84145.8 Ų145.859%0.58780%0.798SS**  trans-127.746.1-171.562.10000114.6E1061E1061-S1063 PolarHBondContact O-N 2.99Å
1064K23.7Very low23.9Very low201 Ų201141.5 Ų141.587%0.87479%0.792SS**SBendtrans-156136.1157.1-108.6145.3-170.3171.60112.5L1066K1064-L1066 PolarHBondContact O-N 2.89Å
1065S24.6Very low23.8Very low96 Ų96143.8 Ų143.867%0.67180%0.798SS**PPolyproline II helixtrans-64.2122.2172.850.50000111.5
1066L25.9Very low23.7Very low173 Ų173146.8 Ų146.891%0.90680%0.8SS**PPolyproline II helixtrans-96.6121149.5-92.275000107.7K1064K1064-L1066 PolarHBondContact O-N 2.89Å
1067N22.4Very low23.6Very low129 Ų129144.1 Ų144.169%0.6980%0.801SS**PPolyproline II helixtrans-81.1164.1178.4-67.5-31.4000111.2
1068N22.9Very low23.6Very low144 Ų144141.9 Ų141.977%0.7780%0.795SS**SBendtrans43.7120.3147.3-62.8-2.2000119.9
1069S27.5Very low23.6Very low109 Ų109145.2 Ų145.276%0.76280%0.801SS**  trans54.274.5141.263.40000117.9
1070D26.6Very low23.7Very low166 Ų166141.8 Ų141.889%0.88879%0.789SS**  trans-148.732.7149-111.6-21.5000113.2
1071I27.1Very low23.8Very low164 Ų164138.7 Ų138.784%0.84178%0.783SS**  trans-133.968.5168.6-46.2-180000110
1072F22.4Very low24.1Very low195 Ų195137.8 Ų137.886%0.85578%0.783SS**  trans-127.2155.3158.8-103.4-90000108.8
1073N22.7Very low24.5Very low150 Ų150134.9 Ų134.980%0.80276%0.763SS**  trans67.447.3172.4-57-16000117.6S1075N1073-S1075 PolarHBondContact O-N 3.26Å
1074G24.3Very low24.9Very low69 Ų69136.2 Ų136.271%0.71176%0.764SS**  trans-8779153.900000111.6F1076G1074-F1076 VanDerWaalsContact C-N 3.3Å; G1074-F1076 PolarHBondContact O-N 2.04Å
1075S22.5Very low25.4Very low112 Ų112130 Ų13078%0.78374%0.739SS**  trans-75.567.7-174.5500000114.2N1073 S1077N1073-S1075 PolarHBondContact O-N 3.26Å; S1075-S1077 PolarHBondContact O-N 3.26Å
1076F23.8Very low25.9Very low195 Ų195128.8 Ų128.886%0.85573%0.731SS**  trans-90.168.2178.5-90.5-84.3000114.3G1074 G1078G1074-F1076 VanDerWaalsContact C-N 3.3Å; G1074-F1076 PolarHBondContact O-N 2.04Å; F1076-G1078 VanDerWaalsContact C-N 3.32Å; F1076-G1078 PolarHBondContact O-N 3.21Å
1077S21.7Very low26.3Very low126 Ų126127 Ų12788%0.88172%0.722SS**  trans-75.786.5150.251.80000108.8S1075S1075-S1077 PolarHBondContact O-N 3.26Å
1078G22.3Very low26.9Very low58 Ų58124.2 Ų124.260%0.59871%0.707SS**  trans-152.9136.6-172.100000113.8F1076F1076-G1078 VanDerWaalsContact C-N 3.32Å; F1076-G1078 PolarHBondContact O-N 3.21Å
1079R21.9Very low27.4Very low239 Ų239126.8 Ų126.890%0.90271%0.711SS**  trans-53148.7-174.3-65.7171171.7160.8-3.4114.7
1080S24.5Very low27.5Very low85 Ų85124.8 Ų124.859%0.59471%0.708SS**  trans45.397.1149.756.30000117.6D1082S1080-D1082 WeakPolarHBondContact CB-OD2 3.38Å; S1080-D1082 PolarHBondContact O-N 2.88Å
1081S25.1Very low27.6Very low116 Ų116126.9 Ų126.981%0.81170%0.703SS**  trans-73.453.8148.752.70000111.3V1083S1081-V1083 PolarHBondContact O-N 2.85Å
1082D27.5Very low27.7Very low143 Ų143128.5 Ų128.577%0.76570%0.704SS**  trans-6987.4162-79.6-42.8000106.7S1080 D1084S1080-D1082 WeakPolarHBondContact CB-OD2 3.38Å; S1080-D1082 PolarHBondContact O-N 2.88Å; D1082-D1084 PolarHBondContact O-N 2.85Å; D1082-D1084 VanDerWaalsContact O-N 3.08Å
1083V33.1Very low28.1Very low79 Ų79124 Ų12448%0.47969%0.693SS.*  trans-63.6111.9-179.51780000108.1S1081 L1085S1081-V1083 PolarHBondContact O-N 2.85Å; V1083-L1085 WeakPolarHBondContact O-CD1 3.43Å; V1083-L1085 PolarHBondContact O-N 3.25Å
1084D31.2Very low28.6Very low112 Ų112124.1 Ų124.160%0.59969%0.693SS**  trans-67.897.6-174.2-164.4-27.7000111D1082 S1086D1082-D1084 PolarHBondContact O-N 2.85Å; D1082-D1084 VanDerWaalsContact O-N 3.08Å; D1084-S1086 VanDerWaalsContact CG-OG 3.23Å; D1084-S1086 PolarHBondContact O-N 3.28Å; D1084-S1086 WeakPolarHBondContact OD1-CB 3.46Å; D1084-S1086 PolarHBondContact OD1-N 3.44Å; D1084-S1086 PolarHBondContact OD1-OG 3.07Å
1085L33.6Very low29.1Very low69 Ų69127.5 Ų127.536%0.36170%0.695SS.*G310 helixtrans-62.5-11.9-175.6-110.677.1000113.7V1083 N1087 I1088 A1144V1083-L1085 WeakPolarHBondContact O-CD1 3.43Å; V1083-L1085 PolarHBondContact O-N 3.25Å; L1085-N1087 VanDerWaalsContact C-N 3.3Å; L1085-N1087 PolarHBondContact O-N 3.46Å; L1085-I1088 PolarHBondContact O-N 2.9Å; L1085-A1144 HydrophobicContact CD1-CB 4.48Å
1086S35.5Very low29.9Very low72 Ų72131.1 Ų131.150%0.50369%0.692SS.*G310 helixtrans-54.9-44178.557.80000112.6D1084 I1088D1084-S1086 VanDerWaalsContact CG-OG 3.23Å; D1084-S1086 PolarHBondContact O-N 3.28Å; D1084-S1086 WeakPolarHBondContact OD1-CB 3.46Å; D1084-S1086 PolarHBondContact OD1-N 3.44Å; D1084-S1086 PolarHBondContact OD1-OG 3.07Å; S1086-I1088 VanDerWaalsContact C-N 3.3Å; S1086-I1088 PolarHBondContact O-N 2.76Å
1087N32.9Very low30.5Very low134 Ų134126.2 Ų126.272%0.71767%0.67SS**G310 helixtrans-70.3-20-173.7-76.4-54.2000114.5L1085L1085-N1087 VanDerWaalsContact C-N 3.3Å; L1085-N1087 PolarHBondContact O-N 3.46Å
1088I36.3Very low31.5Very low72 Ų72125.8 Ų125.837%0.36966%0.657SS.*G310 helixtrans-75-30.3-176.6-60.7-179.5000111.5L1085 S1086 G1090 L1123L1085-I1088 PolarHBondContact O-N 2.9Å; S1086-I1088 VanDerWaalsContact C-N 3.3Å; S1086-I1088 PolarHBondContact O-N 2.76Å; I1088-G1090 PolarHBondContact O-N 2.81Å; I1088-L1123 HydrophobicContact CD1-CD2 4.02Å
1089K33.5Very low32.9Very low197 Ų197123.9 Ų123.986%0.85763%0.633SS**G310 helixtrans-73.5-7.4-175.1-67.7-170.3175-176.30115.2
1090G30Very low34.3Very low67 Ų67117.8 Ų117.869%0.69162%0.615SS**G310 helixtrans-91.3-24.2-169.400000117I1088I1088-G1090 PolarHBondContact O-N 2.81Å
1091R28.6Very low36.1Very low211 Ų211114.7 Ų114.780%0.79659%0.594SS**  trans-110.8108.6-171.1-76.7-175.8172.2173.9-2112.8T1093R1091-T1093 PolarHBondContact O-N 3.05Å
1092K29Very low37.9Very low198 Ų198114.8 Ų114.886%0.86158%0.581SS**  trans-6975.1162.2-70.9-176177.6179.90110.5N1094K1092-N1094 PolarHBondContact O-N 2.95Å; K1092-N1094 VanDerWaalsContact O-N 3.11Å
1093T29.8Very low40Very low100 Ų100108.5 Ų108.561%0.61355%0.547SS*.  trans-68.6103.7159.447.30000107.3R1091 N1095R1091-T1093 PolarHBondContact O-N 3.05Å; T1093-N1095 PolarHBondContact O-N 3.07Å
1094N34.1Very low41.5Very low152 Ų152110.1 Ų110.181%0.81355%0.552SS**SBendtrans-60.42.6-174.2-86-1.8000115.4K1092K1092-N1094 PolarHBondContact O-N 2.95Å; K1092-N1094 VanDerWaalsContact O-N 3.11Å
1095N34.1Very low43.2Very low141 Ų141105 Ų10575%0.75453%0.525SS*.SBendtrans-137.3100.5169.5-83.2-45.1000110.7T1093T1093-N1095 PolarHBondContact O-N 3.07Å
1096R38.5Very low44.6Very low187 Ų187105.2 Ų105.271%0.70653%0.527SS*.  trans-177.1147.6142.3-96.7147.7-161.8-163.24.6109.5
1097K38.5Very low45.7Very low93 Ų93102.2 Ų102.240%0.40451%0.505SS..  trans-104.1127.8-170.1-57.2-177.3-178.9930109R1227 E1230K1097-R1227 HydrophobicContact CD-CB 4Å; K1097-R1227 WeakPolarHBondContact CD-O 3.37Å; K1097-R1227 WeakPolarHBondContact CE-O 3.37Å; K1097-R1227 PolarHBondContact NZ-O 3.15Å; K1097-E1230 IonicContact NZ-OE2 3.94Å
1098I41.8Very low46.9Very low116 Ų116103.3 Ų103.360%0.59551%0.506SS*.  trans-90128.5173.1-62.1164.8000107
1099V52Low47.7Very low18 Ų18101.6 Ų101.611%0.10951%0.506CS..EExtended strand (participates in β ladder)trans-107121.8173.3-177.10000108.2E1043 D1044 N1226 Y1228E1043-V1099 CarbonylContact C-O 3.49Å; E1043-V1099 VanDerWaalsContact CA-O 3.3Å; E1043-V1099 WeakPolarHBondContact CA-O 3.27Å; D1044-V1099 PolarHBondContact N-O 2.95Å; V1099-N1226 HydrophobicContact CG2-CB 4.1Å; V1099-Y1228 HydrophobicContact CG2-CE2 4.03Å
1100Q51Low49Very low112 Ų11296 Ų9652%0.52348%0.483SS..EExtended strand (participates in β ladder)trans-114.7138.9172-177.51741200108.9S1041 L1042 E1043S1041-Q1100 PolarHBondContact OG-NE2 3.14Å; L1042-Q1100 WeakPolarHBondContact O-CA 3.36Å; E1043-Q1100 HydrophobicContact CG-CB 4.26Å; E1043-Q1100 HydrophobicContact CG-CG 3.94Å
1101S62.7Low50.8Low20 Ų2094.3 Ų94.314%0.1446%0.458CS..EExtended strand (participates in β ladder)trans-146.7125.2-174.247.30000111.1S1041 L1042 F1103S1041-S1101 CarbonylContact C-O 3.44Å; S1041-S1101 VanDerWaalsContact CA-O 3.27Å; S1041-S1101 WeakPolarHBondContact CA-O 3.3Å; L1042-S1101 PolarHBondContact N-O 2.87Å; L1042-S1101 PolarHBondContact O-N 3.07Å; L1042-S1101 PolarHBondContact O-OG 3.32Å; S1101-F1103 VanDerWaalsContact CB-CZ 3.42Å; S1101-F1103 WeakPolarHBondContact OG-CE2 3.37Å; S1101-F1103 WeakPolarHBondContact OG-CZ 3.45Å
1102E62.7Low53Low117 Ų11789.2 Ų89.255%0.54744%0.439SS..EExtended strand (participates in β ladder)trans-99.5129.9171.1-88.9-150.2-143.800110.7S1039 I1040 K1136S1039-E1102 PolarHBondContact OG-OE2 2.77Å; I1040-E1102 CarbonylContact O-C 3.52Å; I1040-E1102 VanDerWaalsContact O-CA 3.3Å; I1040-E1102 WeakPolarHBondContact O-CA 3.38Å; E1102-K1136 IonicContact OE1-NZ 3.62Å; E1102-K1136 PolarHBondContact OE1-NZ 3.2Å; E1102-K1136 IonicContact OE2-NZ 3.82Å; E1102-K1136 PolarHBondContact OE2-NZ 2.9Å
1103F72.3Confident55.3Low11 Ų1179.8 Ų79.85%0.04840%0.398CS..EExtended strand (participates in β ladder)trans-118.9134-179.9-49.4-70000111.3S1039 I1040 L1042 S1101 I1105 I1213 I1215 F1220S1039-F1103 CarbonylContact C-O 3.51Å; S1039-F1103 VanDerWaalsContact CA-O 3.3Å; S1039-F1103 WeakPolarHBondContact CA-O 3.46Å; I1040-F1103 PolarHBondContact N-O 2.94Å; I1040-F1103 PolarHBondContact O-N 3.46Å; L1042-F1103 HydrophobicContact CB-CE2 4.03Å; S1101-F1103 VanDerWaalsContact CB-CZ 3.42Å; S1101-F1103 WeakPolarHBondContact OG-CE2 3.37Å; S1101-F1103 WeakPolarHBondContact OG-CZ 3.45Å; F1103-I1105 HydrophobicContact CB-CD1 4.14Å; F1103-I1213 HydrophobicContact CZ-CB 4.19Å; F1103-I1213 HydrophobicContact CZ-CD1 3.91Å; F1103-I1213 HydrophobicContact CZ-CG2 4.29Å; F1103-I1215 HydrophobicContact CB-CD1 4.22Å; F1103-I1215 HydrophobicContact CD2-CD1 3.33Å; F1103-I1215 HydrophobicContact CE2-CD1 3.72Å; F1103-I1215 HydrophobicContact CG-CD1 3.8Å; F1103-I1215 HydrophobicContact CZ-CD1 4.46Å; F1103-F1220 HydrophobicContact CB-CD1 4.36Å; F1103-F1220 HydrophobicContact CB-CD2 4.49Å; F1103-F1220 HydrophobicContact CB-CE1 4.17Å; F1103-F1220 HydrophobicContact CB-CE2 4.31Å; F1103-F1220 HydrophobicContact CB-CZ 4.14Å; F1103-F1220 HydrophobicContact CD1-CB 3.5Å; F1103-F1220 VanDerWaalsContact CD1-CB 3.5Å; F1103-F1220 AromaticContact CD1-CD1 3.61Å; F1103-F1220 HydrophobicContact CD1-CD1 3.61Å; F1103-F1220 AromaticContact CD1-CD2 3.89Å; F1103-F1220 HydrophobicContact CD1-CD2 3.89Å; F1103-F1220 HydrophobicContact CD1-CE1 4.26Å; F1103-F1220 AromaticContact CD1-CG 3.39Å; F1103-F1220 HydrophobicContact CD1-CG 3.39Å; F1103-F1220 HydrophobicContact CE1-CB 3.4Å; F1103-F1220 VanDerWaalsContact CE1-CB 3.4Å; F1103-F1220 HydrophobicContact CE1-CD1 4.39Å; F1103-F1220 HydrophobicContact CE1-CD2 4.42Å; F1103-F1220 AromaticContact CE1-CG 3.86Å; F1103-F1220 HydrophobicContact CE1-CG 3.86Å; F1103-F1220 HydrophobicContact CG-CD1 4.4Å; F1103-F1220 HydrophobicContact CG-CD2 4.32Å; F1103-F1220 HydrophobicContact CG-CG 4.21Å; F1103-F1220 HydrophobicContact CZ-CB 4.48Å
1104L63Low57.5Low113 Ų11377.7 Ų77.759%0.59238%0.384SS*.EExtended strand (participates in β ladder)trans-98.5120.6175.3-73.8168.1000110.5I1131L1104-I1131 HydrophobicContact CD2-CD1 3.34Å
1105I67.8Low59.5Low4 Ų470.5 Ų70.52%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-136.4127.5-172.5-69.4154.9000109.9Y1038 I1040 F1103 T1107 I1215 F1220Y1038-I1105 PolarHBondContact N-O 2.93Å; Y1038-I1105 PolarHBondContact O-N 2.76Å; I1040-I1105 HydrophobicContact CD1-CD1 3.64Å; I1040-I1105 HydrophobicContact CG1-CD1 4.28Å; F1103-I1105 HydrophobicContact CB-CD1 4.14Å; I1105-T1107 HydrophobicContact CG2-CG2 3.95Å; I1105-I1215 HydrophobicContact CD1-CB 3.9Å; I1105-I1215 HydrophobicContact CD1-CD1 4.19Å; I1105-I1215 HydrophobicContact CD1-CG2 3.61Å; I1105-F1220 HydrophobicContact CD1-CE2 4.14Å; I1105-F1220 HydrophobicContact CD1-CZ 4.24Å; I1105-F1220 HydrophobicContact CG1-CE2 4.1Å; I1105-F1220 HydrophobicContact CG1-CZ 3.77Å
1106N62.7Low61.4Low75 Ų7565.2 Ų65.240%0.40132%0.319SS..  trans-81.6132.8156.6-177.42.8000107.8Q1036 E1108Q1036-N1106 PolarHBondContact O-OD1 2.78Å; N1106-E1108 PolarHBondContact OD1-N 2.87Å
1107T58.7Low62.6Low8 Ų857.6 Ų57.65%0.04930%0.299CS..  trans-103.11.217964.90000113.6W992 Y1038 I1105 G1109 Q1110W992-T1107 HydrophobicContact CH2-CG2 4.05Å; W992-T1107 HydrophobicContact CZ2-CG2 4.14Å; Y1038-T1107 HydrophobicContact CD2-CG2 3.7Å; Y1038-T1107 HydrophobicContact CE2-CG2 4.15Å; Y1038-T1107 WeakPolarHBondContact CE2-OG1 3.46Å; Y1038-T1107 HydrophobicContact CG-CG2 4.34Å; I1105-T1107 HydrophobicContact CG2-CG2 3.95Å; T1107-G1109 PolarHBondContact O-N 3.19Å; T1107-G1109 VanDerWaalsContact O-N 3.08Å; T1107-Q1110 WeakPolarHBondContact CB-O 3.45Å; T1107-Q1110 VanDerWaalsContact O-CB 3.24Å; T1107-Q1110 WeakPolarHBondContact O-CB 3.33Å; T1107-Q1110 WeakPolarHBondContact O-CG 3.48Å; T1107-Q1110 PolarHBondContact O-N 3.33Å; T1107-Q1110 PolarHBondContact OG1-O 2.94Å
1108E57.1Low64.4Low158 Ų15853.4 Ų53.474%0.73828%0.281SS*.THydrogen-bonded Turntrans54.332.2177.3-55.4-173.7160.100113.2N1106N1106-E1108 PolarHBondContact OD1-N 2.87Å
1109G54.8Low65.7Low36 Ų3649.1 Ų49.137%0.37126%0.259SS..THydrogen-bonded Turntrans90-7.8-177.200000115.3T1107 N1111T1107-G1109 PolarHBondContact O-N 3.19Å; T1107-G1109 VanDerWaalsContact O-N 3.08Å; G1109-N1111 PolarHBondContact O-ND2 3.47Å; G1109-N1111 VanDerWaalsContact O-ND2 3.15Å
1110Q60.7Low66.5Low79 Ų7948.6 Ų48.637%0.36926%0.256SS..  trans-70150.7172.5-56-178.41400111T1107 Y1112T1107-Q1110 WeakPolarHBondContact CB-O 3.45Å; T1107-Q1110 VanDerWaalsContact O-CB 3.24Å; T1107-Q1110 WeakPolarHBondContact O-CB 3.33Å; T1107-Q1110 WeakPolarHBondContact O-CG 3.48Å; T1107-Q1110 PolarHBondContact O-N 3.33Å; T1107-Q1110 PolarHBondContact OG1-O 2.94Å; Q1110-Y1112 HydrophobicContact CB-CE1 4.35Å; Q1110-Y1112 PolarHBondContact OE1-OH 3.12Å; Q1110-Y1112 VanDerWaalsContact OE1-OH 3.08Å
1111N67.6Low67.3Low31 Ų3144.9 Ų44.917%0.16624%0.239CC..  trans-119.528.6-179.2-66.4-92.5000112.2F991 W992 G1109F991-N1111 HydrophobicContact CD2-CB 4.5Å; F991-N1111 WeakPolarHBondContact CD2-O 3.46Å; F991-N1111 HydrophobicContact CE2-CB 4.19Å; W992-N1111 PolarHBondContact N-O 2.94Å; W992-N1111 PolarHBondContact NE1-OD1 3.32Å; W992-N1111 WeakPolarHBondContact O-CB 3.12Å; G1109-N1111 PolarHBondContact O-ND2 3.47Å; G1109-N1111 VanDerWaalsContact O-ND2 3.15Å
1112Y74.1Confident67.7Low104 Ų10445 Ų4541%0.40824%0.237SC..EExtended strand (participates in β ladder)trans-138.3159.8175.267-100.6000111.8I990 Q1110 N1216I990-Y1112 CarbonylContact O-C 3.14Å; I990-Y1112 VanDerWaalsContact O-CA 3.25Å; I990-Y1112 WeakPolarHBondContact O-CA 3.25Å; I990-Y1112 WeakPolarHBondContact O-CB 3.41Å; Q1110-Y1112 HydrophobicContact CB-CE1 4.35Å; Q1110-Y1112 PolarHBondContact OE1-OH 3.12Å; Q1110-Y1112 VanDerWaalsContact OE1-OH 3.08Å; Y1112-N1216 PolarHBondContact O-ND2 2.85Å
1113I76.6Confident68.4Low0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-128.8144.3168.557.4-172.1000110.3T989 I990 W992 I1040 I1115 I1128 I1215 N1216T989-I1113 CarbonylContact C-O 3.59Å; T989-I1113 WeakPolarHBondContact CA-O 3.41Å; T989-I1113 WeakPolarHBondContact CG2-O 3.45Å; I990-I1113 HydrophobicContact CB-CD1 4.25Å; I990-I1113 HydrophobicContact CB-CG1 3.86Å; I990-I1113 PolarHBondContact N-O 2.76Å; I990-I1113 PolarHBondContact O-N 2.89Å; W992-I1113 HydrophobicContact CH2-CG2 3.99Å; W992-I1113 HydrophobicContact CZ3-CG1 4.3Å; W992-I1113 HydrophobicContact CZ3-CG2 3.95Å; I1040-I1113 HydrophobicContact CD1-CD1 3.75Å; I1040-I1113 HydrophobicContact CD1-CG2 3.73Å; I1040-I1113 HydrophobicContact CG2-CD1 4.2Å; I1113-I1115 HydrophobicContact CD1-CD1 3.92Å; I1113-I1115 HydrophobicContact CD1-CG1 4.13Å; I1113-I1115 HydrophobicContact CG1-CD1 4.45Å; I1113-I1115 HydrophobicContact CG1-CG1 4.23Å; I1113-I1128 HydrophobicContact CD1-CD1 4.03Å; I1113-I1215 HydrophobicContact CB-CG2 3.85Å; I1113-I1215 HydrophobicContact CG2-CG2 3.91Å; I1113-N1216 VanDerWaalsContact CA-OD1 3.29Å; I1113-N1216 WeakPolarHBondContact CA-OD1 3.33Å
1114N76.4Confident68.7Low57 Ų5740 Ų4031%0.30521%0.214SC..EExtended strand (participates in β ladder)trans-110.8116.6163.4-17159.3000108.6T989 I1215 N1216T989-N1114 HydrophobicContact CG2-CB 4.35Å; T989-N1114 PolarHBondContact OG1-OD1 2.84Å; N1114-I1215 WeakPolarHBondContact O-CA 3.25Å; N1114-N1216 PolarHBondContact N-OD1 2.75Å; N1114-N1216 PolarHBondContact O-N 3.38Å; N1114-N1216 VanDerWaalsContact O-N 3.12Å
1115I76.6Confident69.5Low0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-101.4131.4179.8-52.5177.6000108.1S987 A988 I990 L1042 I1113 L1118 I1213 I1214 I1215S987-I1115 CarbonylContact C-O 3.48Å; S987-I1115 WeakPolarHBondContact CA-O 3.44Å; S987-I1115 WeakPolarHBondContact CB-O 3.41Å; A988-I1115 PolarHBondContact N-O 3.07Å; A988-I1115 PolarHBondContact O-N 2.82Å; I990-I1115 HydrophobicContact CD1-CD1 3.93Å; L1042-I1115 HydrophobicContact CD1-CD1 4.39Å; L1042-I1115 HydrophobicContact CD2-CG2 4.33Å; I1113-I1115 HydrophobicContact CD1-CD1 3.92Å; I1113-I1115 HydrophobicContact CD1-CG1 4.13Å; I1113-I1115 HydrophobicContact CG1-CD1 4.45Å; I1113-I1115 HydrophobicContact CG1-CG1 4.23Å; I1115-L1118 HydrophobicContact CG2-CD1 4.41Å; I1115-L1118 HydrophobicContact CG2-CD2 3.88Å; I1115-L1118 HydrophobicContact CG2-CG 4.24Å; I1115-I1213 HydrophobicContact CG2-CG2 3.63Å; I1115-I1214 CarbonylContact C-O 3.6Å; I1115-I1214 WeakPolarHBondContact CA-O 3.44Å; I1115-I1215 HydrophobicContact CG1-CD1 4.44Å; I1115-I1215 HydrophobicContact CG1-CG1 4.3Å; I1115-I1215 HydrophobicContact CG1-CG2 4.3Å; I1115-I1215 HydrophobicContact CG2-CG1 4.33Å
1116S73.1Confident70.2Confident31 Ų3134.6 Ų34.622%0.21719%0.186CC..EExtended strand (participates in β ladder)trans-142.4157178.535.10000111.7T986 I1214T986-S1116 WeakPolarHBondContact O-CA 3.03Å; S1116-I1214 PolarHBondContact N-O 3.28Å; S1116-I1214 PolarHBondContact O-N 3.46Å; S1116-I1214 PolarHBondContact OG-O 3.4Å
1117G65.7Low71.1Confident26 Ų2632.5 Ų32.527%0.26818%0.176SC..  trans94.217.3-167.200000113.4T986T986-G1117 PolarHBondContact O-N 2.84Å
1118L74.6Confident72.3Confident5 Ų532.2 Ų32.23%0.02617%0.174CC..PPolyproline II helixtrans-77.7148.9174.9-55.7178.9000110.5T986 A988 L1042 I1115 Y1124 F1145 T1147T986-L1118 VanDerWaalsContact CA-O 3.28Å; T986-L1118 WeakPolarHBondContact CA-O 3.46Å; T986-L1118 WeakPolarHBondContact CB-O 3.03Å; T986-L1118 WeakPolarHBondContact CG2-O 3.02Å; T986-L1118 PolarHBondContact O-N 3.29Å; A988-L1118 HydrophobicContact CB-CD1 3.98Å; L1042-L1118 HydrophobicContact CD2-CD2 3.92Å; I1115-L1118 HydrophobicContact CG2-CD1 4.41Å; I1115-L1118 HydrophobicContact CG2-CD2 3.88Å; I1115-L1118 HydrophobicContact CG2-CG 4.24Å; L1118-Y1124 HydrophobicContact CB-CE2 3.86Å; L1118-Y1124 HydrophobicContact CD1-CD2 4.36Å; L1118-Y1124 HydrophobicContact CD1-CE2 4.4Å; L1118-Y1124 HydrophobicContact CD2-CD1 4.28Å; L1118-Y1124 HydrophobicContact CD2-CD2 4.45Å; L1118-Y1124 HydrophobicContact CD2-CE1 3.99Å; L1118-Y1124 HydrophobicContact CD2-CE2 4.17Å; L1118-Y1124 HydrophobicContact CG-CE2 4.37Å; L1118-F1145 HydrophobicContact CD1-CE2 3.73Å; L1118-F1145 HydrophobicContact CD1-CZ 4.12Å; L1118-T1147 HydrophobicContact CB-CG2 3.8Å; L1118-T1147 HydrophobicContact CD1-CG2 4.02Å
1119M69.3Low73.3Confident27 Ų2724.8 Ų24.813%0.13314%0.14CC..PPolyproline II helixtrans-76.2143.9175.8-68.8-65.9163.200110.8H1122 Y1124 T1147 P1211 Y1262M1119-H1122 HydrophobicContact CB-CB 4.34Å; M1119-Y1124 PolarHBondContact N-OH 2.7Å; M1119-T1147 WeakPolarHBondContact O-CB 3.48Å; M1119-T1147 PolarHBondContact O-OG1 3.29Å; M1119-P1211 HydrophobicContact CE-CB 4.44Å; M1119-Y1262 HydrophobicContact CE-CD1 4.13Å; M1119-Y1262 HydrophobicContact CE-CE1 4.34Å
1120P69Low74.2Confident7 Ų723.6 Ų23.65%0.04512%0.124CC..THydrogen-bonded Turntrans-67.4150.317829.4-35.4000112.2S985 H1122 F1150 A1175 I1261S985-P1120 WeakPolarHBondContact O-CA 3.49Å; P1120-H1122 PolarHBondContact O-CD2 2.9Å; P1120-H1122 PolarHBondContact O-N 3.12Å; P1120-F1150 HydrophobicContact CB-CB 3.75Å; P1120-F1150 HydrophobicContact CG-CB 4.11Å; P1120-A1175 HydrophobicContact CG-CB 4.24Å; P1120-I1261 HydrophobicContact CG-CG2 4.45Å
1121N68.6Low74.5Confident34 Ų3421.4 Ų21.418%0.18212%0.115CC..THydrogen-bonded Turntrans605.9178.8-156.215.9000117.1R1146 T1147 K1148N1121-R1146 PolarHBondContact OD1-NE 2.95Å; N1121-R1146 PolarHBondContact OD1-NH2 2.94Å; N1121-T1147 PolarHBondContact N-OG1 3.44Å; N1121-K1148 PolarHBondContact N-O 2.73Å
1122H71.3Confident74.1Confident21 Ų2121.5 Ų21.510%0.09712%0.118CC..  trans-81.3159.8177.7-84.2-141000114D1044 I1047 M1119 P1120 Y1124 R1146 T1147D1044-H1122 VanDerWaalsContact CG-ND1 3.3Å; D1044-H1122 IonicContact OD1-CE1 3.83Å; D1044-H1122 IonicContact OD1-CG 3.7Å; D1044-H1122 IonicContact OD1-ND1 2.75Å; D1044-H1122 PolarHBondContact OD1-ND1 3.47Å; D1044-H1122 IonicContact OD2-CE1 2.9Å; D1044-H1122 IonicContact OD2-ND1 3.85Å; D1044-H1122 PolarHBondContact OD2-ND1 3.09Å; I1047-H1122 VanDerWaalsContact CG1-CD2 3.48Å; I1047-H1122 WeakPolarHBondContact CG1-CD2 3.37Å; M1119-H1122 HydrophobicContact CB-CB 4.34Å; P1120-H1122 PolarHBondContact O-CD2 2.9Å; P1120-H1122 PolarHBondContact O-N 3.12Å; H1122-Y1124 HydrophobicContact CB-CD2 4.31Å; H1122-Y1124 HydrophobicContact CB-CE2 3.53Å; H1122-R1146 WeakPolarHBondContact O-CA 3.43Å; H1122-R1146 WeakPolarHBondContact O-CG 3.27Å; H1122-T1147 PolarHBondContact N-OG1 3.04Å; H1122-T1147 PolarHBondContact O-N 2.85Å; H1122-T1147 VanDerWaalsContact O-N 3.15Å; H1122-T1147 PolarHBondContact O-OG1 3.1Å
1123L75.7Confident73.2Confident14 Ų1425.3 Ų25.37%0.07314%0.137CC..EExtended strand (participates in β ladder)trans-106.6125.3173177.566.8000110.7H1045 G1046 T1048 I1088H1045-L1123 HydrophobicContact CB-CB 4.43Å; H1045-L1123 HydrophobicContact CB-CD2 4.43Å; H1045-L1123 HydrophobicContact CB-CG 4.5Å; H1045-L1123 PolarHBondContact N-O 2.97Å; G1046-L1123 PolarHBondContact O-N 2.87Å; G1046-L1123 VanDerWaalsContact O-N 3.1Å; T1048-L1123 HydrophobicContact CG2-CD2 4.31Å; I1088-L1123 HydrophobicContact CD1-CD2 4.02Å
1124Y79.4Confident72Confident9 Ų929.5 Ų29.54%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-118.8149.4-178.7-68.8-81.1000112.2L1042 E1043 D1044 L1118 M1119 H1122 A1144 F1145 T1147L1042-Y1124 HydrophobicContact CD1-CD1 4.38Å; L1042-Y1124 HydrophobicContact CD2-CD1 4.36Å; L1042-Y1124 HydrophobicContact CG-CD1 4.33Å; E1043-Y1124 VanDerWaalsContact O-CA 3.28Å; E1043-Y1124 WeakPolarHBondContact O-CA 3.01Å; E1043-Y1124 WeakPolarHBondContact O-CD1 3.3Å; D1044-Y1124 HydrophobicContact CB-CD1 3.98Å; D1044-Y1124 HydrophobicContact CB-CE1 3.51Å; D1044-Y1124 VanDerWaalsContact OD2-CE1 3.25Å; D1044-Y1124 WeakPolarHBondContact OD2-CE1 3.31Å; D1044-Y1124 VanDerWaalsContact OD2-CZ 3.29Å; D1044-Y1124 PolarHBondContact OD2-OH 3.29Å; L1118-Y1124 HydrophobicContact CB-CE2 3.86Å; L1118-Y1124 HydrophobicContact CD1-CD2 4.36Å; L1118-Y1124 HydrophobicContact CD1-CE2 4.4Å; L1118-Y1124 HydrophobicContact CD2-CD1 4.28Å; L1118-Y1124 HydrophobicContact CD2-CD2 4.45Å; L1118-Y1124 HydrophobicContact CD2-CE1 3.99Å; L1118-Y1124 HydrophobicContact CD2-CE2 4.17Å; L1118-Y1124 HydrophobicContact CG-CE2 4.37Å; M1119-Y1124 PolarHBondContact N-OH 2.7Å; H1122-Y1124 HydrophobicContact CB-CD2 4.31Å; H1122-Y1124 HydrophobicContact CB-CE2 3.53Å; Y1124-A1144 CarbonylContact O-C 3.5Å; Y1124-A1144 VanDerWaalsContact O-CA 3.26Å; Y1124-A1144 WeakPolarHBondContact O-CA 3.48Å; Y1124-F1145 HydrophobicContact CD2-CE2 4.13Å; Y1124-F1145 HydrophobicContact CD2-CZ 4.48Å; Y1124-F1145 HydrophobicContact CG-CE2 4.3Å; Y1124-F1145 HydrophobicContact CG-CZ 4.21Å; Y1124-F1145 PolarHBondContact N-O 3.36Å; Y1124-F1145 PolarHBondContact O-N 2.78Å; Y1124-T1147 HydrophobicContact CD2-CG2 4.28Å; Y1124-T1147 HydrophobicContact CE2-CG2 3.99Å
1125T78.8Confident71.2Confident3 Ų328.1 Ų28.12%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-122141.1164.734.50000111.6L1042 E1043 H1045 L1143 A1144L1042-T1125 WeakPolarHBondContact CA-O 3.25Å; E1043-T1125 WeakPolarHBondContact CB-OG1 3.37Å; E1043-T1125 PolarHBondContact N-O 2.91Å; E1043-T1125 PolarHBondContact O-N 3.14Å; E1043-T1125 PolarHBondContact OE2-OG1 3Å; H1045-T1125 PolarHBondContact NE2-OG1 3.07Å; T1125-L1143 WeakPolarHBondContact CA-O 3.49Å; T1125-A1144 HydrophobicContact CG2-CB 3.78Å
1126V83.6Confident70.9Confident1 Ų133 Ų331%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-128.9146.7176.2930000112.9L978 I990 I1040 S1041 L1042 P1142 L1143L978-V1126 HydrophobicContact CD1-CG1 3.71Å; I990-V1126 HydrophobicContact CD1-CB 4.38Å; I990-V1126 HydrophobicContact CD1-CG1 3.68Å; I990-V1126 HydrophobicContact CG2-CG1 4.5Å; I1040-V1126 HydrophobicContact CG2-CG2 3.71Å; S1041-V1126 CarbonylContact O-C 3.49Å; S1041-V1126 VanDerWaalsContact O-CA 3.26Å; S1041-V1126 WeakPolarHBondContact O-CA 3.5Å; S1041-V1126 VanDerWaalsContact O-CG2 3.22Å; S1041-V1126 WeakPolarHBondContact O-CG2 3.43Å; L1042-V1126 HydrophobicContact CB-CG2 4.23Å; L1042-V1126 HydrophobicContact CD1-CB 3.95Å; L1042-V1126 HydrophobicContact CD1-CG2 3.77Å; V1126-P1142 WeakPolarHBondContact O-CA 3.16Å; V1126-L1143 HydrophobicContact CG1-CB 4.39Å; V1126-L1143 PolarHBondContact N-O 3.45Å; V1126-L1143 PolarHBondContact O-N 3.22Å
1127T81.9Confident70.9Confident32 Ų3232 Ų3220%0.19617%0.169CC..EExtended strand (participates in β ladder)trans-132.3154.1166.359.50000111.2I1040 S1041 S1140 P1142I1040-T1127 WeakPolarHBondContact CA-O 3.4Å; S1041-T1127 PolarHBondContact N-O 3.14Å; S1041-T1127 PolarHBondContact O-N 3.12Å; T1127-S1140 WeakPolarHBondContact CA-OG 3.29Å; T1127-P1142 HydrophobicContact CG2-CB 3.84Å
1128I84.2Confident71.3Confident1 Ų138.8 Ų38.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-132140.8180-51.7-177.9000110.8I975 L978 W992 Y1038 S1039 I1040 I1113 S1140I975-I1128 HydrophobicContact CD1-CB 3.92Å; I975-I1128 HydrophobicContact CD1-CG2 3.48Å; I975-I1128 VanDerWaalsContact CD1-CG2 3.48Å; L978-I1128 HydrophobicContact CD1-CD1 4.37Å; L978-I1128 HydrophobicContact CD1-CG1 4.12Å; L978-I1128 HydrophobicContact CD2-CB 4.3Å; L978-I1128 HydrophobicContact CD2-CD1 3.81Å; L978-I1128 HydrophobicContact CD2-CG1 4.07Å; W992-I1128 HydrophobicContact CD2-CD1 4.26Å; W992-I1128 HydrophobicContact CE3-CD1 3.44Å; W992-I1128 VanDerWaalsContact CE3-CD1 3.44Å; W992-I1128 HydrophobicContact CH2-CD1 4.37Å; W992-I1128 HydrophobicContact CZ3-CD1 3.51Å; Y1038-I1128 HydrophobicContact CD1-CG2 3.91Å; S1039-I1128 CarbonylContact O-C 3.56Å; S1039-I1128 WeakPolarHBondContact O-CA 3.37Å; I1040-I1128 HydrophobicContact CD1-CD1 4.48Å; I1040-I1128 HydrophobicContact CG1-CG1 4.34Å; I1040-I1128 HydrophobicContact CG1-CG2 4.24Å; I1040-I1128 HydrophobicContact CG2-CG1 4.22Å; I1113-I1128 HydrophobicContact CD1-CD1 4.03Å; I1128-S1140 PolarHBondContact N-OG 3.44Å; I1128-S1140 PolarHBondContact O-N 2.9Å
1129S78.4Confident71.5Confident3 Ų342.6 Ų42.62%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-128.3155.4172.965.30000111.1Y1038 S1039 K1136Y1038-S1129 CarbonylContact C-O 3.55Å; Y1038-S1129 VanDerWaalsContact CA-O 3.3Å; Y1038-S1129 WeakPolarHBondContact CA-O 3.5Å; S1039-S1129 WeakPolarHBondContact CB-OG 3.3Å; S1039-S1129 PolarHBondContact N-O 3.18Å; S1039-S1129 PolarHBondContact O-N 2.77Å; S1039-S1129 PolarHBondContact O-OG 3.02Å; S1039-S1129 PolarHBondContact OG-OG 2.86Å; S1039-S1129 VanDerWaalsContact OG-OG 3.09Å; S1129-K1136 WeakPolarHBondContact OG-CE 3.4Å
1130R73.5Confident72Confident11 Ų1141.8 Ų41.84%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-95.6149.5173-76.4178.9174.9155.3-17110.9P972 Q973 I975 G995 Y1038 K1136 S1137P972-R1130 HydrophobicContact CB-CB 3.89Å; P972-R1130 HydrophobicContact CG-CB 4.43Å; Q973-R1130 WeakPolarHBondContact O-CD 3.31Å; Q973-R1130 PolarHBondContact O-NH1 2.78Å; Q973-R1130 VanDerWaalsContact O-NH1 3.17Å; I975-R1130 HydrophobicContact CD1-CG 4.32Å; I975-R1130 HydrophobicContact CG1-CG 4.34Å; G995-R1130 PolarHBondContact O-NH1 2.88Å; G995-R1130 PolarHBondContact O-NH2 3.1Å; Y1038-R1130 HydrophobicContact CD1-CG 3.99Å; Y1038-R1130 HydrophobicContact CE1-CG 3.56Å; R1130-K1136 CarbonylContact O-C 3.06Å; R1130-K1136 WeakPolarHBondContact O-CA 3.35Å; R1130-S1137 PolarHBondContact N-OG 2.67Å; R1130-S1137 PolarHBondContact O-N 2.64Å
1131I65.4Low72.3Confident33 Ų3351.3 Ų51.317%0.16925%0.248CC..EExtended strand (participates in β ladder)trans-130.4138175.1-68.3168.9000108.8Q1037 L1104 K1136Q1037-I1131 HydrophobicContact CB-CB 4.03Å; Q1037-I1131 HydrophobicContact CB-CG2 4.26Å; Q1037-I1131 PolarHBondContact N-O 3.21Å; Q1037-I1131 PolarHBondContact O-N 3.47Å; L1104-I1131 HydrophobicContact CD2-CD1 3.34Å; I1131-K1136 HydrophobicContact CD1-CD 4.44Å; I1131-K1136 HydrophobicContact CD1-CG 4.39Å; I1131-K1136 HydrophobicContact CG1-CB 4.06Å; I1131-K1136 HydrophobicContact CG1-CD 4.41Å; I1131-K1136 HydrophobicContact CG1-CG 3.83Å
1132S59.1Low72.6Confident32 Ų3253.6 Ų53.622%0.22427%0.265CS..EExtended strand (participates in β ladder)trans-138.5176.8164.378.10000110H1134 G1135S1132-H1134 PolarHBondContact O-N 2.93Å; S1132-H1134 PolarHBondContact OG-N 3.24Å; S1132-H1134 VanDerWaalsContact OG-N 3.17Å; S1132-G1135 PolarHBondContact N-O 2.87Å; S1132-G1135 VanDerWaalsContact N-O 3.08Å; S1132-G1135 PolarHBondContact O-N 2.81Å
1133K55.9Low73.1Confident185 Ų18554.4 Ų54.480%0.80427%0.27SS*.THydrogen-bonded Turntrans-56.3-10.2171.4-63.4-175.9-179.4178.90114.1
1134H52.3Low73.2Confident87 Ų8755.6 Ų55.640%0.40328%0.282SS..THydrogen-bonded Turntrans-109.69178-52.2-54.4000114S971 S1132S971-H1134 WeakPolarHBondContact CB-O 3.4Å; S971-H1134 PolarHBondContact OG-O 2.73Å; S1132-H1134 PolarHBondContact O-N 2.93Å; S1132-H1134 PolarHBondContact OG-N 3.24Å; S1132-H1134 VanDerWaalsContact OG-N 3.17Å
1135G59.3Low73.2Confident28 Ų2855.7 Ų55.729%0.28928%0.282SS..EExtended strand (participates in β ladder)trans128.7175.6169.300000116.2P972 S1132P972-G1135 WeakPolarHBondContact CD-O 3.27Å; S1132-G1135 PolarHBondContact N-O 2.87Å; S1132-G1135 VanDerWaalsContact N-O 3.08Å; S1132-G1135 PolarHBondContact O-N 2.81Å
1136K68.9Low72.9Confident103 Ų10361 Ų6145%0.44830%0.302SS..EExtended strand (participates in β ladder)trans-93.4135.2175.5-170.9174.9-175.2179.40110.1S1039 E1102 S1129 R1130 I1131S1039-K1136 WeakPolarHBondContact OG-CE 3.47Å; S1039-K1136 PolarHBondContact OG-NZ 2.91Å; E1102-K1136 IonicContact OE1-NZ 3.62Å; E1102-K1136 PolarHBondContact OE1-NZ 3.2Å; E1102-K1136 IonicContact OE2-NZ 3.82Å; E1102-K1136 PolarHBondContact OE2-NZ 2.9Å; S1129-K1136 WeakPolarHBondContact OG-CE 3.4Å; R1130-K1136 CarbonylContact O-C 3.06Å; R1130-K1136 WeakPolarHBondContact O-CA 3.35Å; I1131-K1136 HydrophobicContact CD1-CD 4.44Å; I1131-K1136 HydrophobicContact CD1-CG 4.39Å; I1131-K1136 HydrophobicContact CG1-CB 4.06Å; I1131-K1136 HydrophobicContact CG1-CD 4.41Å; I1131-K1136 HydrophobicContact CG1-CG 3.83Å
1137S74.2Confident72.5Confident10 Ų1061.1 Ų61.17%0.0730%0.303CS..PPolyproline II helixtrans-77.8164.6175.180.20000111.6P972 R1130P972-S1137 WeakPolarHBondContact O-CB 3.19Å; R1130-S1137 PolarHBondContact N-OG 2.67Å; R1130-S1137 PolarHBondContact O-N 2.64Å
1138K74.9Confident72.1Confident169 Ų16965.8 Ų65.874%0.73532%0.321SS*.PPolyproline II helixtrans-59.1143.9167.3-62.7-175.6179.4-177.60110.2A974A974-K1138 HydrophobicContact CB-CB 4.04Å; A974-K1138 VanDerWaalsContact CB-O 3.28Å; A974-K1138 WeakPolarHBondContact CB-O 3.46Å
1139P78Confident71.3Confident85 Ų8570.6 Ų70.655%0.55234%0.341SS*.PPolyproline II helixtrans-68.4157.1177.129.1-35.3000111.7
1140S80.4Confident70.7Confident10 Ų1071.7 Ų71.77%0.0735%0.346CS..PPolyproline II helixtrans-64.8167.2173.370.80000112.5I975 L978 T1127 I1128I975-S1140 VanDerWaalsContact O-CA 3.31Å; I975-S1140 WeakPolarHBondContact O-CA 3.36Å; I975-S1140 WeakPolarHBondContact O-CB 3.37Å; L978-S1140 WeakPolarHBondContact CD1-OG 3.38Å; T1127-S1140 WeakPolarHBondContact CA-OG 3.29Å; I1128-S1140 PolarHBondContact N-OG 3.44Å; I1128-S1140 PolarHBondContact O-N 2.9Å
1141R75.1Confident70.2Confident206 Ų20678.1 Ų78.178%0.77738%0.376SS*.PPolyproline II helixtrans-57.5144.3159.5-65.2-174.2-179.4-165.60.6109.5
1142P75.3Confident70.1Confident83 Ų8379.1 Ų79.154%0.53938%0.382SS..PPolyproline II helixtrans-68.6142.9176.328.2-34.1000111.3V1126 T1127V1126-P1142 WeakPolarHBondContact O-CA 3.16Å; T1127-P1142 HydrophobicContact CG2-CB 3.84Å
1143L80.9Confident70.5Confident37 Ų3784.9 Ų84.919%0.19441%0.405CS..EExtended strand (participates in β ladder)trans-114.6121.7172.6173.366.9000109L978 H980 I990 T1125 V1126L978-L1143 HydrophobicContact CB-CB 4.04Å; L978-L1143 HydrophobicContact CB-CD2 3.76Å; L978-L1143 HydrophobicContact CB-CG 4.49Å; L978-L1143 HydrophobicContact CD1-CB 4.08Å; H980-L1143 HydrophobicContact CB-CD2 4.21Å; I990-L1143 HydrophobicContact CG2-CD2 3.93Å; T1125-L1143 WeakPolarHBondContact CA-O 3.49Å; V1126-L1143 HydrophobicContact CG1-CB 4.39Å; V1126-L1143 PolarHBondContact N-O 3.45Å; V1126-L1143 PolarHBondContact O-N 3.22Å
1144A78.3Confident71.3Confident39 Ų3979.2 Ų79.232%0.32239%0.387SS..EExtended strand (participates in β ladder)trans-94143.2176.300000111.6L1085 Y1124 T1125L1085-A1144 HydrophobicContact CD1-CB 4.48Å; Y1124-A1144 CarbonylContact O-C 3.5Å; Y1124-A1144 VanDerWaalsContact O-CA 3.26Å; Y1124-A1144 WeakPolarHBondContact O-CA 3.48Å; T1125-A1144 HydrophobicContact CG2-CB 3.78Å
1145F78.4Confident72.3Confident11 Ų1177.7 Ų77.75%0.04839%0.385CS..EExtended strand (participates in β ladder)trans-154.2158.1173.264.7-85.9000112.1A988 I990 L1042 L1118 Y1124A988-F1145 HydrophobicContact CB-CD2 3.81Å; A988-F1145 HydrophobicContact CB-CE2 3.32Å; A988-F1145 HydrophobicContact CB-CZ 3.87Å; I990-F1145 HydrophobicContact CD1-CD1 4.26Å; I990-F1145 HydrophobicContact CD1-CE1 3.71Å; I990-F1145 HydrophobicContact CD1-CZ 4.26Å; L1042-F1145 HydrophobicContact CD1-CE1 4.39Å; L1042-F1145 HydrophobicContact CD1-CZ 4.29Å; L1118-F1145 HydrophobicContact CD1-CE2 3.73Å; L1118-F1145 HydrophobicContact CD1-CZ 4.12Å; Y1124-F1145 HydrophobicContact CD2-CE2 4.13Å; Y1124-F1145 HydrophobicContact CD2-CZ 4.48Å; Y1124-F1145 HydrophobicContact CG-CE2 4.3Å; Y1124-F1145 HydrophobicContact CG-CZ 4.21Å; Y1124-F1145 PolarHBondContact N-O 3.36Å; Y1124-F1145 PolarHBondContact O-N 2.78Å
1146R72.7Confident73.2Confident115 Ų11577.2 Ų77.243%0.43438%0.38SS..EExtended strand (participates in β ladder)trans-116139.5178.9-161.8-172-178.5154.81.3110.7S983 N1121 H1122S983-R1146 PolarHBondContact OG-O 2.69Å; S983-R1146 VanDerWaalsContact OG-O 3.05Å; N1121-R1146 PolarHBondContact OD1-NE 2.95Å; N1121-R1146 PolarHBondContact OD1-NH2 2.94Å; H1122-R1146 WeakPolarHBondContact O-CA 3.43Å; H1122-R1146 WeakPolarHBondContact O-CG 3.27Å
1147T75.9Confident73.5Confident3 Ų374.6 Ų74.62%0.01837%0.374CS..PPolyproline II helixtrans-78.5151.816847.50000111.1L1118 M1119 N1121 H1122 Y1124L1118-T1147 HydrophobicContact CB-CG2 3.8Å; L1118-T1147 HydrophobicContact CD1-CG2 4.02Å; M1119-T1147 WeakPolarHBondContact O-CB 3.48Å; M1119-T1147 PolarHBondContact O-OG1 3.29Å; N1121-T1147 PolarHBondContact N-OG1 3.44Å; H1122-T1147 PolarHBondContact N-OG1 3.04Å; H1122-T1147 PolarHBondContact O-N 2.85Å; H1122-T1147 VanDerWaalsContact O-N 3.15Å; H1122-T1147 PolarHBondContact O-OG1 3.1Å; Y1124-T1147 HydrophobicContact CD2-CG2 4.28Å; Y1124-T1147 HydrophobicContact CE2-CG2 3.99Å
1148K72.7Confident73.8Confident131 Ų13174.3 Ų74.357%0.5737%0.371SS*.PPolyproline II helixtrans-71.6164.2178-62.4-175.3177.4-179.20112S983 T984 N1121S983-K1148 VanDerWaalsContact O-CE 3.29Å; S983-K1148 WeakPolarHBondContact O-CE 3.15Å; T984-K1148 PolarHBondContact O-N 2.7Å; N1121-K1148 PolarHBondContact N-O 2.73Å
1149F67.8Low73.8Confident101 Ų10169 Ų6944%0.44335%0.349SS..PPolyproline II helixtrans-64.4155.3167.7-174-102.6000110.7M1267F1149-M1267 HydrophobicContact CE2-CE 4.48Å; F1149-M1267 HydrophobicContact CE2-SD 4.41Å; F1149-M1267 HydrophobicContact CZ-CE 4.42Å; F1149-M1267 HydrophobicContact CZ-SD 4.39Å
1150F66.3Low73.8Confident26 Ų2665.9 Ų65.911%0.11433%0.328CS..  trans-111.8118.6-178.7-170.2-80.2000109.6P1120 N1173 A1175 L1176P1120-F1150 HydrophobicContact CB-CB 3.75Å; P1120-F1150 HydrophobicContact CG-CB 4.11Å; F1150-N1173 HydrophobicContact CE2-CB 4.32Å; F1150-N1173 HydrophobicContact CZ-CB 4.34Å; F1150-A1175 HydrophobicContact CD2-CB 4.27Å; F1150-A1175 HydrophobicContact CE2-CB 4.29Å; F1150-L1176 HydrophobicContact CD1-CD2 4.46Å; F1150-L1176 HydrophobicContact CE1-CD1 4.26Å; F1150-L1176 HydrophobicContact CE1-CD2 3.78Å; F1150-L1176 HydrophobicContact CE1-CG 3.91Å; F1150-L1176 HydrophobicContact CZ-CD1 4.31Å; F1150-L1176 HydrophobicContact CZ-CD2 4.48Å; F1150-L1176 HydrophobicContact CZ-CG 4.12Å
1151H62.8Low73.4Confident147 Ų14767.3 Ų67.368%0.68133%0.333SS*.  trans-76.8130.3173.2-74.7-91000110E1153H1151-E1153 PolarHBondContact O-N 3.12Å
1152L63.3Low73.1Confident54 Ų5462.4 Ų62.428%0.28332%0.319SS..  trans-83.875.8-173.6-167.988000111.6L1176 I1261 C1268 T1269L1152-L1176 HydrophobicContact CD1-CD2 3.36Å; L1152-L1176 HydrophobicContact CG-CD2 4.41Å; L1152-I1261 HydrophobicContact CD1-CD1 4.41Å; L1152-I1261 HydrophobicContact CD1-CG1 3.53Å; L1152-C1268 VanDerWaalsContact CD2-C 3.4Å; L1152-T1269 HydrophobicContact CD2-CG2 3.66Å; L1152-T1269 HydrophobicContact CG-CG2 4.27Å
1153E67.9Low72.6Confident152 Ų15264.4 Ų64.471%0.7133%0.33SS*.  trans-87.6132168.9-67.9178.7172.200110.2H1151H1151-E1153 PolarHBondContact O-N 3.12Å
1154P72.3Confident72.1Confident67 Ų6768.5 Ų68.544%0.43535%0.346SS..  trans-71.2125177.228.3-32.5000109.9G1156 Y1259P1154-G1156 PolarHBondContact O-N 2.9Å; P1154-G1156 VanDerWaalsContact O-N 3.14Å; P1154-Y1259 HydrophobicContact CB-CD2 3.82Å; P1154-Y1259 HydrophobicContact CB-CE2 3.94Å
1155P73.9Confident71.9Confident54 Ų5470.1 Ų70.135%0.35135%0.347SS..  trans-70.5-11.6-172.927.2-35.4000114.4K1171 L1176 L1237 Y1259P1155-K1171 WeakPolarHBondContact CB-O 3.43Å; P1155-L1176 HydrophobicContact CG-CD1 4.3Å; P1155-L1237 HydrophobicContact CG-CD1 3.8Å; P1155-Y1259 HydrophobicContact CG-CD1 4.08Å; P1155-Y1259 HydrophobicContact CG-CE1 3.52Å
1156G76.6Confident71.8Confident19 Ų1970.7 Ų70.720%0.19635%0.351CS..SBendtrans169.5178.5176.400000112P1154 S1170 Y1259P1154-G1156 PolarHBondContact O-N 2.9Å; P1154-G1156 VanDerWaalsContact O-N 3.14Å; G1156-S1170 WeakPolarHBondContact CA-OG 3.39Å; G1156-Y1259 WeakPolarHBondContact O-CE2 3.4Å; G1156-Y1259 PolarHBondContact O-OH 2.91Å
1157P75.3Confident72.1Confident48 Ų4865.2 Ų65.231%0.31233%0.33SS..  trans-59.6164.4174.527.1-35000112.2H1159 S1170 Y1259 I1275P1157-H1159 WeakPolarHBondContact CG-NE2 3.25Å; P1157-S1170 PolarHBondContact O-OG 3.42Å; P1157-Y1259 PolarHBondContact O-OH 3.46Å; P1157-I1275 HydrophobicContact CB-CD1 3.77Å
1158I80.1Confident72.4Confident3 Ų367.3 Ų67.32%0.01534%0.34CS..EExtended strand (participates in β ladder)trans-107.8129.2171.2-56.3-178.9000106.9I1167 F1169 A1257 Y1259 M1272 P1274 I1275I1158-I1167 HydrophobicContact CG2-CG2 3.44Å; I1158-I1167 VanDerWaalsContact CG2-CG2 3.44Å; I1158-F1169 HydrophobicContact CD1-CD1 3.85Å; I1158-F1169 HydrophobicContact CD1-CE1 3.53Å; I1158-F1169 HydrophobicContact CD1-CZ 4.18Å; I1158-F1169 HydrophobicContact CG1-CD1 4.11Å; I1158-F1169 HydrophobicContact CG1-CE1 4.27Å; I1158-A1257 HydrophobicContact CD1-CB 3.7Å; I1158-A1257 HydrophobicContact CG2-CB 3.96Å; I1158-Y1259 HydrophobicContact CD1-CD2 4.44Å; I1158-Y1259 HydrophobicContact CD1-CE2 4.06Å; I1158-Y1259 HydrophobicContact CG1-CE2 3.88Å; I1158-M1272 HydrophobicContact CD1-CB 4.14Å; I1158-M1272 HydrophobicContact CD1-SD 4.11Å; I1158-M1272 HydrophobicContact CG1-SD 4.34Å; I1158-P1274 HydrophobicContact CG2-CB 4.49Å; I1158-P1274 HydrophobicContact CG2-CG 4.4Å; I1158-P1274 CarbonylContact O-C 3.6Å; I1158-P1274 VanDerWaalsContact O-CA 3.25Å; I1158-P1274 WeakPolarHBondContact O-CA 3.38Å; I1158-I1275 PolarHBondContact O-N 3.44Å
1159H76.4Confident72.9Confident59 Ų5961 Ų6127%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-107.9144.8-179.2-71.2-101.5000110.8P1157 I1167 Q1168P1157-H1159 WeakPolarHBondContact CG-NE2 3.25Å; H1159-I1167 WeakPolarHBondContact O-CA 3.45Å; H1159-Q1168 PolarHBondContact N-O 2.62Å; H1159-Q1168 VanDerWaalsContact N-O 3.07Å; H1159-Q1168 PolarHBondContact O-N 3.01Å
1160L76.7Confident73.4Confident19 Ų1956.9 Ų56.910%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-113.5106.4170.8171.968.9000108.5E1162 I1167 P1274 I1275L1160-E1162 HydrophobicContact CD2-CG 3.99Å; L1160-E1162 HydrophobicContact CG-CG 3.94Å; L1160-E1162 PolarHBondContact O-N 3.06Å; L1160-I1167 HydrophobicContact CB-CG1 4.39Å; L1160-I1167 HydrophobicContact CD1-CD1 4.45Å; L1160-I1167 HydrophobicContact CD1-CG1 3.77Å; L1160-P1274 HydrophobicContact CB-CB 3.53Å; L1160-P1274 HydrophobicContact CB-CG 4.28Å; L1160-I1275 PolarHBondContact N-O 3.28Å
1161E73.6Confident73.8Confident40 Ų4059.3 Ų59.319%0.18731%0.306CS..EExtended strand (participates in β ladder)trans-88.590.9177.4-171.7173.9-158.900109.6T1163 K1164 E1165 L1166E1161-T1163 VanDerWaalsContact CG-OG1 3.31Å; E1161-T1163 WeakPolarHBondContact CG-OG1 3.29Å; E1161-T1163 PolarHBondContact O-N 2.98Å; E1161-T1163 VanDerWaalsContact O-N 3.15Å; E1161-K1164 HydrophobicContact CG-CB 4.22Å; E1161-K1164 HydrophobicContact CG-CG 4.16Å; E1161-K1164 PolarHBondContact O-N 3Å; E1161-K1164 VanDerWaalsContact O-N 3.1Å; E1161-K1164 IonicContact OE1-NZ 2.74Å; E1161-K1164 PolarHBondContact OE1-NZ 3.29Å; E1161-K1164 WeakPolarHBondContact OE2-CD 3.28Å; E1161-K1164 WeakPolarHBondContact OE2-CG 3.45Å; E1161-K1164 IonicContact OE2-NZ 3.38Å; E1161-K1164 PolarHBondContact OE2-NZ 3.23Å; E1161-E1165 PolarHBondContact O-N 3.41Å; E1161-E1165 VanDerWaalsContact O-N 3.12Å; E1161-L1166 PolarHBondContact N-O 3.43Å; E1161-L1166 PolarHBondContact O-N 3.01Å
1162E68.2Low74.3Confident102 Ų10252.8 Ų52.848%0.47728%0.279SS..THydrogen-bonded Turntrans-62.9-21.4-175.7-62.2-166.5148.800113.6L1160 L1249 K1276L1160-E1162 HydrophobicContact CD2-CG 3.99Å; L1160-E1162 HydrophobicContact CG-CG 3.94Å; L1160-E1162 PolarHBondContact O-N 3.06Å; E1162-L1249 HydrophobicContact CB-CD1 4.13Å; E1162-L1249 HydrophobicContact CG-CD1 4.32Å; E1162-K1276 VanDerWaalsContact CD-NZ 3.29Å; E1162-K1276 IonicContact OE1-NZ 2.93Å; E1162-K1276 PolarHBondContact OE1-NZ 3.2Å; E1162-K1276 IonicContact OE2-NZ 2.82Å; E1162-K1276 PolarHBondContact OE2-NZ 3.14Å
1163T65.5Low74.8Confident126 Ų12651.3 Ų51.377%0.77327%0.271SS*.THydrogen-bonded Turntrans-76.7-20.8176.653.50000114.1E1161E1161-T1163 VanDerWaalsContact CG-OG1 3.31Å; E1161-T1163 WeakPolarHBondContact CG-OG1 3.29Å; E1161-T1163 PolarHBondContact O-N 2.98Å; E1161-T1163 VanDerWaalsContact O-N 3.15Å
1164K69.9Low74.6Confident122 Ų12244.8 Ų44.853%0.5324%0.242SC..THydrogen-bonded Turntrans-117-1.2180-62.5-156.6-163.785.80114.5E1161 L1166E1161-K1164 HydrophobicContact CG-CB 4.22Å; E1161-K1164 HydrophobicContact CG-CG 4.16Å; E1161-K1164 PolarHBondContact O-N 3Å; E1161-K1164 VanDerWaalsContact O-N 3.1Å; E1161-K1164 IonicContact OE1-NZ 2.74Å; E1161-K1164 PolarHBondContact OE1-NZ 3.29Å; E1161-K1164 WeakPolarHBondContact OE2-CD 3.28Å; E1161-K1164 WeakPolarHBondContact OE2-CG 3.45Å; E1161-K1164 IonicContact OE2-NZ 3.38Å; E1161-K1164 PolarHBondContact OE2-NZ 3.23Å; K1164-L1166 VanDerWaalsContact C-N 3.31Å; K1164-L1166 HydrophobicContact CB-CB 4.5Å; K1164-L1166 HydrophobicContact CB-CD1 3.73Å; K1164-L1166 HydrophobicContact CB-CG 4.15Å; K1164-L1166 HydrophobicContact CD-CD1 3.98Å; K1164-L1166 PolarHBondContact O-N 2.76Å
1165E73.4Confident74.5Confident73 Ų7341.8 Ų41.834%0.34122%0.223SC..THydrogen-bonded Turntrans5738.1-171.7-42.1-166.511800113.5E1161 I1247 L1249E1161-E1165 PolarHBondContact O-N 3.41Å; E1161-E1165 VanDerWaalsContact O-N 3.12Å; E1165-I1247 VanDerWaalsContact CB-O 3.3Å; E1165-I1247 WeakPolarHBondContact CB-O 3.37Å; E1165-I1247 WeakPolarHBondContact O-CA 3.34Å; E1165-I1247 VanDerWaalsContact O-CB 3.27Å; E1165-I1247 WeakPolarHBondContact O-CB 3.24Å; E1165-I1247 PolarHBondContact O-N 2.8Å; E1165-L1249 HydrophobicContact CB-CD1 4.27Å; E1165-L1249 HydrophobicContact CB-CG 4.21Å; E1165-L1249 HydrophobicContact CG-CB 4.17Å; E1165-L1249 HydrophobicContact CG-CD1 4.25Å; E1165-L1249 HydrophobicContact CG-CG 4.26Å; E1165-L1249 WeakPolarHBondContact OE1-CA 3.41Å; E1165-L1249 WeakPolarHBondContact OE1-CB 3.41Å; E1165-L1249 PolarHBondContact OE1-N 3.38Å
1166L76.7Confident74.5Confident24 Ų2439.5 Ų39.513%0.12621%0.208CC..EExtended strand (participates in β ladder)trans-116.9140.2-177.4-71.7162.6000112.3E1161 K1164 E1244 P1246E1161-L1166 PolarHBondContact N-O 3.43Å; E1161-L1166 PolarHBondContact O-N 3.01Å; K1164-L1166 VanDerWaalsContact C-N 3.31Å; K1164-L1166 HydrophobicContact CB-CB 4.5Å; K1164-L1166 HydrophobicContact CB-CD1 3.73Å; K1164-L1166 HydrophobicContact CB-CG 4.15Å; K1164-L1166 HydrophobicContact CD-CD1 3.98Å; K1164-L1166 PolarHBondContact O-N 2.76Å; L1166-E1244 HydrophobicContact CD2-CB 4.19Å; L1166-P1246 HydrophobicContact CD2-CB 4.01Å
1167I79.6Confident74.5Confident0 Ų038.6 Ų38.60%020%0.199CC..EExtended strand (participates in β ladder)trans-97.2130154.1-79174.1000108.8I1158 H1159 L1160 F1169 V1180 E1244 I1245 I1247 F1255 A1257 P1274I1158-I1167 HydrophobicContact CG2-CG2 3.44Å; I1158-I1167 VanDerWaalsContact CG2-CG2 3.44Å; H1159-I1167 WeakPolarHBondContact O-CA 3.45Å; L1160-I1167 HydrophobicContact CB-CG1 4.39Å; L1160-I1167 HydrophobicContact CD1-CD1 4.45Å; L1160-I1167 HydrophobicContact CD1-CG1 3.77Å; I1167-F1169 HydrophobicContact CG2-CD2 3.79Å; I1167-F1169 HydrophobicContact CG2-CE2 3.42Å; I1167-F1169 VanDerWaalsContact CG2-CE2 3.42Å; I1167-F1169 HydrophobicContact CG2-CZ 4.28Å; I1167-V1180 HydrophobicContact CD1-CG1 4.16Å; I1167-V1180 HydrophobicContact CG2-CG2 4.34Å; I1167-E1244 WeakPolarHBondContact O-CA 3.04Å; I1167-I1245 PolarHBondContact N-O 2.79Å; I1167-I1245 PolarHBondContact O-N 3.44Å; I1167-I1247 HydrophobicContact CB-CD1 3.91Å; I1167-I1247 HydrophobicContact CD1-CD1 3.56Å; I1167-I1247 HydrophobicContact CG1-CD1 3.48Å; I1167-I1247 VanDerWaalsContact CG1-CD1 3.48Å; I1167-F1255 HydrophobicContact CD1-CB 4.15Å; I1167-A1257 HydrophobicContact CD1-CB 4.4Å; I1167-A1257 HydrophobicContact CG2-CB 4.45Å; I1167-P1274 HydrophobicContact CD1-CG 3.96Å; I1167-P1274 HydrophobicContact CG1-CG 4.41Å
1168Q80.7Confident74.7Confident46 Ų4636.3 Ų36.322%0.21518%0.184CC..EExtended strand (participates in β ladder)trans-108.6125.3175.9-65.7178.9-37.100110.2H1159 E1244H1159-Q1168 PolarHBondContact N-O 2.62Å; H1159-Q1168 VanDerWaalsContact N-O 3.07Å; H1159-Q1168 PolarHBondContact O-N 3.01Å; Q1168-E1244 HydrophobicContact CG-CG 4.2Å; Q1168-E1244 PolarHBondContact NE2-OE1 3.1Å
1169F82.9Confident74.9Confident0 Ų036.4 Ų36.40%018%0.184CC..EExtended strand (participates in β ladder)trans-99.2139.9170-69.8-109.8000109.8I1158 I1167 A1178 V1180 L1237 Y1242 T1243 I1245 A1257 R1258 Y1259I1158-F1169 HydrophobicContact CD1-CD1 3.85Å; I1158-F1169 HydrophobicContact CD1-CE1 3.53Å; I1158-F1169 HydrophobicContact CD1-CZ 4.18Å; I1158-F1169 HydrophobicContact CG1-CD1 4.11Å; I1158-F1169 HydrophobicContact CG1-CE1 4.27Å; I1167-F1169 HydrophobicContact CG2-CD2 3.79Å; I1167-F1169 HydrophobicContact CG2-CE2 3.42Å; I1167-F1169 VanDerWaalsContact CG2-CE2 3.42Å; I1167-F1169 HydrophobicContact CG2-CZ 4.28Å; F1169-A1178 HydrophobicContact CB-CB 4.11Å; F1169-A1178 HydrophobicContact CD1-CB 3.53Å; F1169-A1178 HydrophobicContact CD2-CB 3.53Å; F1169-A1178 HydrophobicContact CE1-CB 3.65Å; F1169-A1178 HydrophobicContact CE2-CB 3.68Å; F1169-A1178 HydrophobicContact CG-CB 3.45Å; F1169-A1178 VanDerWaalsContact CG-CB 3.45Å; F1169-A1178 HydrophobicContact CZ-CB 3.71Å; F1169-V1180 HydrophobicContact CE2-CG2 3.47Å; F1169-V1180 VanDerWaalsContact CE2-CG2 3.47Å; F1169-V1180 HydrophobicContact CZ-CG2 3.58Å; F1169-L1237 HydrophobicContact CB-CD2 4.03Å; F1169-Y1242 WeakPolarHBondContact O-CD1 3.15Å; F1169-T1243 PolarHBondContact N-O 3.23Å; F1169-T1243 VanDerWaalsContact N-O 3.09Å; F1169-T1243 PolarHBondContact O-N 3.49Å; F1169-I1245 HydrophobicContact CD2-CD1 4.21Å; F1169-I1245 HydrophobicContact CE2-CD1 3.75Å; F1169-I1245 HydrophobicContact CZ-CD1 4.5Å; F1169-A1257 HydrophobicContact CE1-CB 4.26Å; F1169-A1257 HydrophobicContact CE2-CB 4.39Å; F1169-A1257 HydrophobicContact CZ-CB 3.68Å; F1169-R1258 WeakPolarHBondContact CE1-O 3.04Å; F1169-Y1259 HydrophobicContact CB-CE1 4.06Å; F1169-Y1259 AromaticContact CD1-CD1 3.91Å; F1169-Y1259 HydrophobicContact CD1-CD1 3.91Å; F1169-Y1259 AromaticContact CD1-CE1 3.63Å; F1169-Y1259 HydrophobicContact CD1-CE1 3.63Å; F1169-Y1259 HydrophobicContact CD1-CG 4.5Å; F1169-Y1259 AromaticContact CD1-CZ 3.98Å; F1169-Y1259 HydrophobicContact CG-CE1 4.35Å
1170S80.2Confident75Confident14 Ų1433.6 Ų33.610%0.09817%0.171CC..PPolyproline II helixtrans-60.8148.3-178.1-68.30000112.3G1156 P1157 Y1259G1156-S1170 WeakPolarHBondContact CA-OG 3.39Å; P1157-S1170 PolarHBondContact O-OG 3.42Å; S1170-Y1259 PolarHBondContact N-OH 3.18Å
1171K74.1Confident75.1Confident76 Ų7633.3 Ų33.333%0.3317%0.17SC..PPolyproline II helixtrans-54.6143.7175.4-51.8-176-176.6-167.20110P1155 D1240 Y1242P1155-K1171 WeakPolarHBondContact CB-O 3.43Å; K1171-D1240 WeakPolarHBondContact CD-O 3.49Å; K1171-D1240 VanDerWaalsContact CE-O 3.27Å; K1171-D1240 WeakPolarHBondContact CE-O 3.47Å; K1171-D1240 PolarHBondContact NZ-O 3.18Å; K1171-Y1242 HydrophobicContact CD-CD2 4.45Å; K1171-Y1242 HydrophobicContact CD-CE2 4.33Å; K1171-Y1242 HydrophobicContact CG-CD1 4.35Å; K1171-Y1242 HydrophobicContact CG-CD2 4.1Å; K1171-Y1242 HydrophobicContact CG-CE1 4.44Å; K1171-Y1242 HydrophobicContact CG-CE2 4.19Å; K1171-Y1242 HydrophobicContact CG-CG 4.17Å
1172G72.1Confident75.1Confident11 Ų1132.8 Ų32.811%0.11317%0.169CC..  trans-174.1174.3-175.100000114.4S1238 W1239G1172-S1238 PolarHBondContact N-O 3.13Å; G1172-S1238 CarbonylContact O-C 3.54Å; G1172-W1239 PolarHBondContact O-N 2.97Å
1173N73.8Confident75.3Confident22 Ų2228 Ų2812%0.11815%0.146CC..  trans-60.3130.4177.9-172.1-35.2000110.1T986 F1150 A1175 L1176 W1239T986-N1173 PolarHBondContact OG1-ND2 3.18Å; F1150-N1173 HydrophobicContact CE2-CB 4.32Å; F1150-N1173 HydrophobicContact CZ-CB 4.34Å; N1173-A1175 PolarHBondContact O-N 3.47Å; N1173-A1175 VanDerWaalsContact OD1-CB 3.27Å; N1173-A1175 WeakPolarHBondContact OD1-CB 3.45Å; N1173-A1175 PolarHBondContact OD1-N 3.36Å; N1173-L1176 WeakPolarHBondContact O-CB 3.49Å; N1173-L1176 PolarHBondContact O-N 3.1Å; N1173-W1239 HydrophobicContact CB-CH2 3.65Å; N1173-W1239 HydrophobicContact CB-CZ2 4.03Å; N1173-W1239 HydrophobicContact CB-CZ3 3.91Å; N1173-W1239 VanDerWaalsContact CG-CH2 3.45Å; N1173-W1239 VanDerWaalsContact ND2-CH2 3.29Å; N1173-W1239 WeakPolarHBondContact ND2-CH2 3.46Å
1174P65.6Low75.3Confident15 Ų1523.4 Ų23.410%0.09712%0.119CC..THydrogen-bonded Turntrans-64.3-7177.525.7-34.7000114.5L1176 Y1209 L1237 W1239 Y1262P1174-L1176 CarbonylContact C-O 3.54Å; P1174-L1176 PolarHBondContact O-N 3.31Å; P1174-Y1209 WeakPolarHBondContact CB-OH 3.44Å; P1174-L1237 WeakPolarHBondContact CA-O 3.37Å; P1174-L1237 WeakPolarHBondContact CB-O 3.26Å; P1174-W1239 VanDerWaalsContact CD-CE2 3.4Å; P1174-Y1262 WeakPolarHBondContact O-CB 3.42Å
1175A68.2Low75Confident5 Ų520.2 Ų20.24%0.04111%0.107CC..THydrogen-bonded Turntrans-64.8-13.4161.700000113.1T986 P1120 F1150 N1173 I1261 Y1262T986-A1175 HydrophobicContact CG2-CB 4.04Å; P1120-A1175 HydrophobicContact CG-CB 4.24Å; F1150-A1175 HydrophobicContact CD2-CB 4.27Å; F1150-A1175 HydrophobicContact CE2-CB 4.29Å; N1173-A1175 PolarHBondContact O-N 3.47Å; N1173-A1175 VanDerWaalsContact OD1-CB 3.27Å; N1173-A1175 WeakPolarHBondContact OD1-CB 3.45Å; N1173-A1175 PolarHBondContact OD1-N 3.36Å; A1175-I1261 CarbonylContact O-C 3.53Å; A1175-I1261 WeakPolarHBondContact O-CA 3.42Å; A1175-I1261 VanDerWaalsContact O-CG2 3.25Å; A1175-I1261 WeakPolarHBondContact O-CG2 3.08Å; A1175-Y1262 PolarHBondContact O-N 3.49Å
1176L74.5Confident74.4Confident5 Ų520.7 Ų20.73%0.02611%0.112CC..EExtended strand (participates in β ladder)trans-101.7156.5168-65.7173000110.9F1150 L1152 P1155 N1173 P1174 L1237 C1260F1150-L1176 HydrophobicContact CD1-CD2 4.46Å; F1150-L1176 HydrophobicContact CE1-CD1 4.26Å; F1150-L1176 HydrophobicContact CE1-CD2 3.78Å; F1150-L1176 HydrophobicContact CE1-CG 3.91Å; F1150-L1176 HydrophobicContact CZ-CD1 4.31Å; F1150-L1176 HydrophobicContact CZ-CD2 4.48Å; F1150-L1176 HydrophobicContact CZ-CG 4.12Å; L1152-L1176 HydrophobicContact CD1-CD2 3.36Å; L1152-L1176 HydrophobicContact CG-CD2 4.41Å; P1155-L1176 HydrophobicContact CG-CD1 4.3Å; N1173-L1176 WeakPolarHBondContact O-CB 3.49Å; N1173-L1176 PolarHBondContact O-N 3.1Å; P1174-L1176 CarbonylContact C-O 3.54Å; P1174-L1176 PolarHBondContact O-N 3.31Å; L1176-L1237 HydrophobicContact CB-CD1 3.65Å; L1176-L1237 HydrophobicContact CB-CG 3.99Å; L1176-L1237 HydrophobicContact CD1-CD1 4.15Å; L1176-L1237 PolarHBondContact O-N 2.88Å; L1176-C1260 CarbonylContact C-O 3.52Å; L1176-C1260 VanDerWaalsContact CA-O 3.27Å; L1176-C1260 WeakPolarHBondContact CA-O 3.26Å
1177C76Confident73.3Confident0 Ų024.4 Ų24.40%013%0.132CC..EExtended strand (participates in β ladder)trans-144.4154.6175.564.60000112.7C1234 K1235 Y1259 C1260 Y1262C1177-C1234 HydrophobicContact CB-CB 3.61Å; C1177-C1234 WeakPolarHBondContact CB-SG 3.38Å; C1177-C1234 WeakPolarHBondContact SG-CB 3.22Å; C1177-C1234 CovalentContact SG-SG 2.03Å; C1177-C1234 PolarHBondContact SG-SG 2.83Å; C1177-K1235 CarbonylContact C-O 3.59Å; C1177-K1235 VanDerWaalsContact CA-O 3.23Å; C1177-K1235 WeakPolarHBondContact CA-O 3.41Å; C1177-K1235 VanDerWaalsContact CB-O 3.28Å; C1177-K1235 WeakPolarHBondContact CB-O 3.23Å; C1177-Y1259 CarbonylContact O-C 3.59Å; C1177-Y1259 WeakPolarHBondContact O-CA 3.25Å; C1177-C1260 PolarHBondContact N-O 2.84Å; C1177-C1260 PolarHBondContact O-N 3.39Å; C1177-Y1262 HydrophobicContact CB-CD2 3.98Å
1178A81.1Confident71.8Confident0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-93.4131.1-179.600000111.9F1169 C1234 K1235 L1237 T1243 I1245F1169-A1178 HydrophobicContact CB-CB 4.11Å; F1169-A1178 HydrophobicContact CD1-CB 3.53Å; F1169-A1178 HydrophobicContact CD2-CB 3.53Å; F1169-A1178 HydrophobicContact CE1-CB 3.65Å; F1169-A1178 HydrophobicContact CE2-CB 3.68Å; F1169-A1178 HydrophobicContact CG-CB 3.45Å; F1169-A1178 VanDerWaalsContact CG-CB 3.45Å; F1169-A1178 HydrophobicContact CZ-CB 3.71Å; A1178-C1234 CarbonylContact O-C 3.56Å; A1178-C1234 WeakPolarHBondContact O-CA 3.37Å; A1178-C1234 VanDerWaalsContact O-CB 3.25Å; A1178-C1234 WeakPolarHBondContact O-CB 3.44Å; A1178-K1235 PolarHBondContact N-O 3.44Å; A1178-K1235 PolarHBondContact O-N 3.31Å; A1178-L1237 HydrophobicContact CB-CD2 4.13Å; A1178-T1243 HydrophobicContact CB-CG2 3.9Å; A1178-I1245 HydrophobicContact CB-CD1 3.83Å
1179Q82.9Confident70.3Confident6 Ų634.8 Ų34.83%0.02820%0.198CC..EExtended strand (participates in β ladder)trans-128.8134.9175.4-175.6170.580.600111.2L1202 N1233 C1234 A1257 R1258Q1179-L1202 HydrophobicContact CG-CD1 4.45Å; Q1179-L1202 HydrophobicContact CG-CD2 4.28Å; Q1179-L1202 HydrophobicContact CG-CG 4.4Å; Q1179-N1233 PolarHBondContact NE2-O 2.92Å; Q1179-C1234 HydrophobicContact CB-CB 4.15Å; Q1179-A1257 WeakPolarHBondContact O-CA 3.4Å; Q1179-R1258 HydrophobicContact CB-CG 4.24Å; Q1179-R1258 PolarHBondContact N-O 3.03Å; Q1179-R1258 PolarHBondContact O-N 3.27Å; Q1179-R1258 VanDerWaalsContact OE1-CZ 3.26Å
1180V79.4Confident68.6Low0 Ų039.3 Ų39.30%023%0.23CC..EExtended strand (participates in β ladder)trans-132.8141.3-176.4178.80000110.8I1167 F1169 I1203 I1245 R1256 A1257I1167-V1180 HydrophobicContact CD1-CG1 4.16Å; I1167-V1180 HydrophobicContact CG2-CG2 4.34Å; F1169-V1180 HydrophobicContact CE2-CG2 3.47Å; F1169-V1180 VanDerWaalsContact CE2-CG2 3.47Å; F1169-V1180 HydrophobicContact CZ-CG2 3.58Å; V1180-I1203 HydrophobicContact CB-CD1 4.06Å; V1180-I1203 HydrophobicContact CG1-CD1 3.68Å; V1180-I1203 HydrophobicContact CG1-CG1 4.43Å; V1180-I1203 PolarHBondContact O-N 3.39Å; V1180-I1203 VanDerWaalsContact O-N 3.09Å; V1180-I1245 HydrophobicContact CB-CG2 4.33Å; V1180-I1245 HydrophobicContact CG2-CB 4.39Å; V1180-I1245 HydrophobicContact CG2-CD1 3.75Å; V1180-I1245 HydrophobicContact CG2-CG2 4.08Å; V1180-R1256 WeakPolarHBondContact CA-O 3.06Å; V1180-A1257 HydrophobicContact CG2-CB 4.21Å
1181E78.4Confident66.8Low13 Ų1349.5 Ų49.56%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-129.3148.5176.4-65.1172.8-166.100112.1W1200 N1201 L1202 F1255 R1256 Y1271E1181-W1200 HydrophobicContact CB-CE3 4.11Å; E1181-N1201 CarbonylContact C-O 3.53Å; E1181-N1201 VanDerWaalsContact CA-O 3.3Å; E1181-N1201 WeakPolarHBondContact CA-O 3.47Å; E1181-L1202 HydrophobicContact CG-CB 4.13Å; E1181-L1202 HydrophobicContact CG-CD1 4.47Å; E1181-L1202 HydrophobicContact CG-CG 3.93Å; E1181-F1255 WeakPolarHBondContact O-CA 3.33Å; E1181-R1256 HydrophobicContact CB-CG 4Å; E1181-R1256 PolarHBondContact N-O 2.93Å; E1181-R1256 PolarHBondContact O-N 3.4Å; E1181-R1256 IonicContact OE2-CZ 3.42Å; E1181-R1256 IonicContact OE2-NE 2.68Å; E1181-R1256 PolarHBondContact OE2-NE 3.38Å; E1181-R1256 IonicContact OE2-NH2 3.11Å; E1181-R1256 PolarHBondContact OE2-NH2 3.11Å; E1181-Y1271 VanDerWaalsContact CD-OH 3.3Å; E1181-Y1271 PolarHBondContact OE1-OH 3.31Å; E1181-Y1271 PolarHBondContact OE2-OH 3.13Å
1182V74.7Confident65.5Low29 Ų2951.7 Ų51.718%0.17629%0.291CS..EExtended strand (participates in β ladder)trans-114118-175.8-173.10000109.9W1200 N1201 I1203 F1253 F1255V1182-W1200 CarbonylContact O-C 3.58Å; V1182-W1200 WeakPolarHBondContact O-CA 3.42Å; V1182-N1201 PolarHBondContact N-O 3.32Å; V1182-N1201 PolarHBondContact O-N 2.68Å; V1182-I1203 HydrophobicContact CG2-CD1 3.88Å; V1182-I1203 HydrophobicContact CG2-CG1 3.84Å; V1182-F1253 HydrophobicContact CG1-CB 4.15Å; V1182-F1253 HydrophobicContact CG1-CD1 4.32Å; V1182-F1253 HydrophobicContact CG1-CG 4.18Å; V1182-F1255 HydrophobicContact CB-CD1 4.24Å; V1182-F1255 HydrophobicContact CB-CE1 3.99Å; V1182-F1255 HydrophobicContact CG1-CD1 4.14Å; V1182-F1255 HydrophobicContact CG1-CE1 3.5Å; V1182-F1255 HydrophobicContact CG1-CZ 4.12Å; V1182-F1255 HydrophobicContact CG2-CD1 3.88Å; V1182-F1255 HydrophobicContact CG2-CE1 3.64Å
1183G72.1Confident64.3Low0 Ų056.2 Ų56.20%032%0.321CS..EExtended strand (participates in β ladder)trans-94.6122.3177.300000112T1199 W1200 H1254G1183-T1199 WeakPolarHBondContact CA-O 3.37Å; G1183-W1200 VanDerWaalsContact N-CE3 3.28Å; G1183-H1254 PolarHBondContact N-O 3.12Å; G1183-H1254 PolarHBondContact O-N 3.24Å
1184T65Low63.2Low31 Ų3162 Ų6219%0.1936%0.357CS..EExtended strand (participates in β ladder)trans-100.3132.1175.764.80000110.9T1198 T1199 F1253T1184-T1198 WeakPolarHBondContact O-CA 3.25Å; T1184-T1199 PolarHBondContact N-O 3.35Å; T1184-T1199 PolarHBondContact O-N 2.72Å; T1184-T1199 PolarHBondContact OG1-O 2.97Å; T1184-T1199 PolarHBondContact OG1-OG1 3.08Å; T1184-F1253 HydrophobicContact CG2-CD1 3.9Å; T1184-F1253 HydrophobicContact CG2-CE1 3.67Å
1185I64Low62.3Low55 Ų5567 Ų6728%0.28239%0.388SS..EExtended strand (participates in β ladder)trans-93.1116.9175.8-49.4170.6000109.4N1187 T1196 T1198I1185-N1187 WeakPolarHBondContact CG2-OD1 3.49Å; I1185-N1187 PolarHBondContact O-N 3.24Å; I1185-T1196 HydrophobicContact CG2-CG2 4.27Å; I1185-T1198 HydrophobicContact CB-CG2 4.42Å; I1185-T1198 HydrophobicContact CG1-CG2 3.82Å
1186N60.1Low61.2Low83 Ų8372 Ų7244%0.44442%0.418SS..  trans-84.899.3176.4-71.613.7000110.6D1188N1186-D1188 PolarHBondContact O-N 3.11Å
1187N54.5Low60.1Low102 Ų10276.3 Ų76.355%0.54544%0.444SS..  trans-93.366.3169.8-79.924.4000110.6I1185 S1189I1185-N1187 WeakPolarHBondContact CG2-OD1 3.49Å; I1185-N1187 PolarHBondContact O-N 3.24Å; N1187-S1189 VanDerWaalsContact C-N 3.35Å; N1187-S1189 PolarHBondContact O-N 3.06Å
1188D48.5Very low59.4Low137 Ų13779.1 Ų79.173%0.73346%0.462SS*.  trans-7289.3174.3-78-36.9000110.3N1186 S1190N1186-D1188 PolarHBondContact O-N 3.11Å; D1188-S1190 PolarHBondContact O-N 3.34Å
1189S47.4Very low58.5Low126 Ų12682.4 Ų82.488%0.88148%0.482SS*.  trans-77.747.3-17463.70000113.5N1187N1187-S1189 VanDerWaalsContact C-N 3.35Å; N1187-S1189 PolarHBondContact O-N 3.06Å
1190S48.2Very low57.8Low95 Ų9586.1 Ų86.166%0.66450%0.496SS*.SBendtrans-130.4112.6170.466.30000110.3D1188D1188-S1190 PolarHBondContact O-N 3.34Å
1191R42.6Very low57.3Low229 Ų22990.9 Ų90.986%0.86452%0.522SS*.SBendtrans70.283.4-177.1-53.6-179.8179.6175.20.1116.7S1193R1191-S1193 PolarHBondContact O-N 3.36Å
1192S47.3Very low56.7Low121 Ų12192.9 Ų92.985%0.84653%0.532SS*.  35.977.1129.5620000118.8
1193S45.3Very low56.4Low107 Ų10793.2 Ų93.275%0.74853%0.533SS*.  trans-165.9156.5147.448.50000110.6R1191R1191-S1193 PolarHBondContact O-N 3.36Å
1194T50.9Low55.9Low143 Ų14399.8 Ų99.888%0.87756%0.563SS**  trans-109.779.7-168.750.40000113.3
1195T46.9Very low55.6Low121 Ų121100.5 Ų100.574%0.74256%0.564SS**  trans-145.6101.5168.535.80000111.4T1197T1195-T1197 PolarHBondContact O-N 3.37Å
1196T44.9Very low55Low109 Ų109104.3 Ų104.367%0.66960%0.595SS**  trans-80.1108.5174.845.70000111.2I1185I1185-T1196 HydrophobicContact CG2-CG2 4.27Å
1197T51.3Low54.5Low95 Ų95102.3 Ų102.358%0.58358%0.584SS**  trans-88.9150.1169.450.90000110.9T1195T1195-T1197 PolarHBondContact O-N 3.37Å
1198T61.1Low53.9Low59 Ų59105.5 Ų105.536%0.36260%0.601SS.*EExtended strand (participates in β ladder)trans-125.2122.7177.643.20000111.2T1184 I1185T1184-T1198 WeakPolarHBondContact O-CA 3.25Å; I1185-T1198 HydrophobicContact CB-CG2 4.42Å; I1185-T1198 HydrophobicContact CG1-CG2 3.82Å
1199T63Low53.9Low70 Ų70102 Ų10243%0.42958%0.578SS.*EExtended strand (participates in β ladder)trans-96.5127.7177400000110.4G1183 T1184G1183-T1199 WeakPolarHBondContact CA-O 3.37Å; T1184-T1199 PolarHBondContact N-O 3.35Å; T1184-T1199 PolarHBondContact O-N 2.72Å; T1184-T1199 PolarHBondContact OG1-O 2.97Å; T1184-T1199 PolarHBondContact OG1-OG1 3.08Å
1200W68.4Low54Low83 Ų8398.2 Ų98.231%0.31455%0.552SS.*EExtended strand (participates in β ladder)trans-104.9117.9-173.7-66.885.9000111.3E1181 V1182 G1183 H1254 R1256E1181-W1200 HydrophobicContact CB-CE3 4.11Å; V1182-W1200 CarbonylContact O-C 3.58Å; V1182-W1200 WeakPolarHBondContact O-CA 3.42Å; G1183-W1200 VanDerWaalsContact N-CE3 3.28Å; W1200-H1254 HydrophobicContact CH2-CB 3.76Å; W1200-H1254 HydrophobicContact CZ2-CB 4.37Å; W1200-H1254 HydrophobicContact CZ3-CB 4.46Å; W1200-R1256 HydrophobicContact CD2-CG 4.49Å; W1200-R1256 HydrophobicContact CE3-CG 3.71Å; W1200-R1256 HydrophobicContact CH2-CB 4.25Å; W1200-R1256 HydrophobicContact CH2-CG 4.19Å; W1200-R1256 HydrophobicContact CZ3-CB 3.91Å; W1200-R1256 HydrophobicContact CZ3-CG 3.55Å
1201N68.8Low54.2Low101 Ų10195.4 Ų95.454%0.5453%0.531SS..EExtended strand (participates in β ladder)trans-107.4139.5178.3-69.1-40.8000110.9E1181 V1182E1181-N1201 CarbonylContact C-O 3.53Å; E1181-N1201 VanDerWaalsContact CA-O 3.3Å; E1181-N1201 WeakPolarHBondContact CA-O 3.47Å; V1182-N1201 PolarHBondContact N-O 3.32Å; V1182-N1201 PolarHBondContact O-N 2.68Å
1202L66Low54.8Low55 Ų5586.5 Ų86.529%0.28850%0.498SS..EExtended strand (participates in β ladder)trans-93.6132.7-172.9-157.8160.6000111.1Q1179 E1181 H1204 N1233Q1179-L1202 HydrophobicContact CG-CD1 4.45Å; Q1179-L1202 HydrophobicContact CG-CD2 4.28Å; Q1179-L1202 HydrophobicContact CG-CG 4.4Å; E1181-L1202 HydrophobicContact CG-CB 4.13Å; E1181-L1202 HydrophobicContact CG-CD1 4.47Å; E1181-L1202 HydrophobicContact CG-CG 3.93Å; L1202-H1204 PolarHBondContact O-CD2 3.3Å; L1202-H1204 PolarHBondContact O-N 2.88Å; L1202-N1233 HydrophobicContact CD2-CB 3.81Å
1203I67.4Low55.4Low36 Ų3682.1 Ų82.119%0.18547%0.465CS..  trans-76112.4-179.7-55.5-176.4000109.8V1180 V1182 F1205 I1245V1180-I1203 HydrophobicContact CB-CD1 4.06Å; V1180-I1203 HydrophobicContact CG1-CD1 3.68Å; V1180-I1203 HydrophobicContact CG1-CG1 4.43Å; V1180-I1203 PolarHBondContact O-N 3.39Å; V1180-I1203 VanDerWaalsContact O-N 3.09Å; V1182-I1203 HydrophobicContact CG2-CD1 3.88Å; V1182-I1203 HydrophobicContact CG2-CG1 3.84Å; I1203-F1205 HydrophobicContact CB-CE1 4.4Å; I1203-F1205 HydrophobicContact CB-CZ 4.07Å; I1203-F1205 HydrophobicContact CG2-CD1 4.34Å; I1203-F1205 HydrophobicContact CG2-CE1 3.62Å; I1203-F1205 HydrophobicContact CG2-CZ 3.8Å; I1203-F1205 VanDerWaalsContact O-CE2 3.28Å; I1203-F1205 WeakPolarHBondContact O-CE2 3.31Å; I1203-I1245 HydrophobicContact CD1-CG2 4.2Å
1204H62.3Low56.1Low137 Ų13778.9 Ų78.963%0.63444%0.438SS*.  trans-82.6139.8173.5-72.5-87.6000111.6L1202 N1233L1202-H1204 PolarHBondContact O-CD2 3.3Å; L1202-H1204 PolarHBondContact O-N 2.88Å; H1204-N1233 PolarHBondContact CE1-OD1 2.68Å; H1204-N1233 PolarHBondContact ND1-OD1 2.93Å
1205F59.7Low56.6Low46 Ų4672 Ų7220%0.20240%0.397CS..  trans-111.4136.2-178.5-56.7-67.5000111.2I1203 K1235 I1245I1203-F1205 HydrophobicContact CB-CE1 4.4Å; I1203-F1205 HydrophobicContact CB-CZ 4.07Å; I1203-F1205 HydrophobicContact CG2-CD1 4.34Å; I1203-F1205 HydrophobicContact CG2-CE1 3.62Å; I1203-F1205 HydrophobicContact CG2-CZ 3.8Å; I1203-F1205 VanDerWaalsContact O-CE2 3.28Å; I1203-F1205 WeakPolarHBondContact O-CE2 3.31Å; F1205-K1235 HydrophobicContact CD2-CB 4.08Å; F1205-K1235 HydrophobicContact CE2-CB 4.23Å; F1205-K1235 HydrophobicContact CG-CB 4.34Å; F1205-I1245 HydrophobicContact CE1-CB 4.46Å; F1205-I1245 HydrophobicContact CE1-CD1 4.11Å; F1205-I1245 HydrophobicContact CE1-CG1 3.84Å; F1205-I1245 HydrophobicContact CE1-CG2 3.9Å; F1205-I1245 HydrophobicContact CE2-CD1 4.22Å; F1205-I1245 HydrophobicContact CZ-CD1 3.52Å; F1205-I1245 HydrophobicContact CZ-CG1 3.79Å; F1205-I1245 HydrophobicContact CZ-CG2 3.98Å
1206S51.6Low57.1Low135 Ų13568.1 Ų68.194%0.94437%0.371SS*.  trans-80.1139.9168.6-168.90000110
1207L49.4Very low57.7Low42 Ų4270 Ų7022%0.2238%0.377CS..  trans-123.6117.3-155.9-78.9159.7000113.4V1229L1207-V1229 HydrophobicContact CB-CG1 3.95Å; L1207-V1229 HydrophobicContact CB-CG2 4.28Å; L1207-V1229 HydrophobicContact CD1-CB 4.41Å; L1207-V1229 HydrophobicContact CD1-CG1 3.93Å; L1207-V1229 WeakPolarHBondContact CD1-O 3.47Å
1208N41.7Very low57.8Low168 Ų16869.5 Ų69.590%0.89837%0.371SS*.  trans-133.143.3168.2-95.8-7.3000110.7
1209Y47.9Very low57.6Low64 Ų6470.4 Ų70.425%0.25138%0.376SS..  trans-93109174.5-172.5-97.4000110.5P1174 P1211 P1236P1174-Y1209 WeakPolarHBondContact CB-OH 3.44Å; Y1209-P1211 HydrophobicContact CE1-CB 4.46Å; Y1209-P1236 HydrophobicContact CD1-CG 4.1Å; Y1209-P1236 HydrophobicContact CD2-CG 3.93Å; Y1209-P1236 HydrophobicContact CE1-CG 4.41Å; Y1209-P1236 HydrophobicContact CE2-CG 4.25Å; Y1209-P1236 HydrophobicContact CG-CG 3.85Å
1210S49.7Very low57.1Low47 Ų4769.3 Ų69.333%0.32937%0.365SS..  trans-89121.1166.549.60000109.4Y1212S1210-Y1212 PolarHBondContact O-N 2.91Å
1211P51.7Low56.5Low35 Ų3570.8 Ų70.823%0.22738%0.376CS..  trans-63.5139.2172.927-33.2000109.7M1119 Y1209 S1222 Y1228M1119-P1211 HydrophobicContact CE-CB 4.44Å; Y1209-P1211 HydrophobicContact CE1-CB 4.46Å; P1211-S1222 PolarHBondContact O-N 3.31Å; P1211-Y1228 HydrophobicContact CG-CD2 4.49Å; P1211-Y1228 HydrophobicContact CG-CE2 4.47Å
1212Y55.8Low55.7Low43 Ų4367 Ų6717%0.16936%0.357CS..EExtended strand (participates in β ladder)trans-115.9142.1179.154.3-97.3000111S1210 I1214 V1219 F1220S1210-Y1212 PolarHBondContact O-N 2.91Å; Y1212-I1214 HydrophobicContact CD2-CD1 4.45Å; Y1212-I1214 HydrophobicContact CD2-CG1 4.15Å; Y1212-I1214 HydrophobicContact CE2-CD1 4.27Å; Y1212-I1214 HydrophobicContact CE2-CG1 4.46Å; Y1212-V1219 HydrophobicContact CD2-CG1 3.97Å; Y1212-V1219 HydrophobicContact CG-CG1 4.17Å; Y1212-F1220 CarbonylContact C-O 3.56Å; Y1212-F1220 WeakPolarHBondContact CA-O 3.49Å
1213I59.7Low54.8Low28 Ų2873.6 Ų73.614%0.14439%0.386CS..EExtended strand (participates in β ladder)trans-112.7124.7-179.7-65.3158.1000107.3L1042 F1103 I1115 I1215 F1220L1042-I1213 HydrophobicContact CD2-CD1 4.08Å; F1103-I1213 HydrophobicContact CZ-CB 4.19Å; F1103-I1213 HydrophobicContact CZ-CD1 3.91Å; F1103-I1213 HydrophobicContact CZ-CG2 4.29Å; I1115-I1213 HydrophobicContact CG2-CG2 3.63Å; I1213-I1215 HydrophobicContact CG2-CD1 4.23Å; I1213-I1215 HydrophobicContact CG2-CG1 3.92Å; I1213-F1220 PolarHBondContact N-O 2.04Å; I1213-F1220 WeakPolarHBondContact O-CB 3.41Å; I1213-F1220 PolarHBondContact O-N 3.37Å
1214I58.9Low53.6Low39 Ų3974.4 Ų74.420%0.239%0.393CS..EExtended strand (participates in β ladder)trans-98.2124179.3-49.7-180000108.1I1115 S1116 Y1212 N1218 V1219I1115-I1214 CarbonylContact C-O 3.6Å; I1115-I1214 WeakPolarHBondContact CA-O 3.44Å; S1116-I1214 PolarHBondContact N-O 3.28Å; S1116-I1214 PolarHBondContact O-N 3.46Å; S1116-I1214 PolarHBondContact OG-O 3.4Å; Y1212-I1214 HydrophobicContact CD2-CD1 4.45Å; Y1212-I1214 HydrophobicContact CD2-CG1 4.15Å; Y1212-I1214 HydrophobicContact CE2-CD1 4.27Å; Y1212-I1214 HydrophobicContact CE2-CG1 4.46Å; I1214-N1218 CarbonylContact C-O 3.52Å; I1214-N1218 WeakPolarHBondContact CA-O 3.47Å; I1214-V1219 HydrophobicContact CD1-CG2 4.43Å; I1214-V1219 HydrophobicContact CG1-CG2 4.2Å
1215I61.6Low52.3Low0 Ų075 Ų750%040%0.401CS..EExtended strand (participates in β ladder)trans-127.2117.8177.3-47.2-177.3000109.7F1103 I1105 I1113 N1114 I1115 I1213 N1217 N1218 F1220F1103-I1215 HydrophobicContact CB-CD1 4.22Å; F1103-I1215 HydrophobicContact CD2-CD1 3.33Å; F1103-I1215 HydrophobicContact CE2-CD1 3.72Å; F1103-I1215 HydrophobicContact CG-CD1 3.8Å; F1103-I1215 HydrophobicContact CZ-CD1 4.46Å; I1105-I1215 HydrophobicContact CD1-CB 3.9Å; I1105-I1215 HydrophobicContact CD1-CD1 4.19Å; I1105-I1215 HydrophobicContact CD1-CG2 3.61Å; I1113-I1215 HydrophobicContact CB-CG2 3.85Å; I1113-I1215 HydrophobicContact CG2-CG2 3.91Å; N1114-I1215 WeakPolarHBondContact O-CA 3.25Å; I1115-I1215 HydrophobicContact CG1-CD1 4.44Å; I1115-I1215 HydrophobicContact CG1-CG1 4.3Å; I1115-I1215 HydrophobicContact CG1-CG2 4.3Å; I1115-I1215 HydrophobicContact CG2-CG1 4.33Å; I1213-I1215 HydrophobicContact CG2-CD1 4.23Å; I1213-I1215 HydrophobicContact CG2-CG1 3.92Å; I1215-N1217 VanDerWaalsContact C-N 3.27Å; I1215-N1217 PolarHBondContact O-N 3.03Å; I1215-N1218 PolarHBondContact N-O 3.24Å; I1215-N1218 WeakPolarHBondContact O-CB 3.37Å; I1215-N1218 PolarHBondContact O-N 2.8Å; I1215-F1220 HydrophobicContact CB-CD2 4.39Å; I1215-F1220 HydrophobicContact CB-CE2 4.1Å; I1215-F1220 HydrophobicContact CD1-CD2 4.49Å; I1215-F1220 HydrophobicContact CG1-CD2 4.24Å; I1215-F1220 HydrophobicContact CG1-CE2 4.39Å
1216N58.6Low51.4Low39 Ų3975.5 Ų75.521%0.20941%0.406CS..THydrogen-bonded Turntrans46.251.6-174.2-702.2000112.1Y1112 I1113 N1114 N1218Y1112-N1216 PolarHBondContact O-ND2 2.85Å; I1113-N1216 VanDerWaalsContact CA-OD1 3.29Å; I1113-N1216 WeakPolarHBondContact CA-OD1 3.33Å; N1114-N1216 PolarHBondContact N-OD1 2.75Å; N1114-N1216 PolarHBondContact O-N 3.38Å; N1114-N1216 VanDerWaalsContact O-N 3.12Å; N1216-N1218 PolarHBondContact O-N 2.87Å; N1216-N1218 VanDerWaalsContact O-N 3.08Å
1217N56.2Low50.6Low148 Ų14876.8 Ų76.879%0.79139%0.39SS*.THydrogen-bonded Turntrans67.9-11.9-177.8-54.2-4.1000116.4I1215 V1219I1215-N1217 VanDerWaalsContact C-N 3.27Å; I1215-N1217 PolarHBondContact O-N 3.03Å; N1217-V1219 PolarHBondContact O-N 3.24Å
1218N54.2Low50.3Low85 Ų8578 Ų7846%0.45539%0.392SS..EExtended strand (participates in β ladder)trans-74.5123.4171.4-67.8-23.1000110.2I1214 I1215 N1216 F1220I1214-N1218 CarbonylContact C-O 3.52Å; I1214-N1218 WeakPolarHBondContact CA-O 3.47Å; I1215-N1218 PolarHBondContact N-O 3.24Å; I1215-N1218 WeakPolarHBondContact O-CB 3.37Å; I1215-N1218 PolarHBondContact O-N 2.8Å; N1216-N1218 PolarHBondContact O-N 2.87Å; N1216-N1218 VanDerWaalsContact O-N 3.08Å; N1218-F1220 HydrophobicContact CB-CD2 4.36Å; N1218-F1220 HydrophobicContact CB-CE2 3.6Å; N1218-F1220 HydrophobicContact CB-CZ 3.94Å; N1218-F1220 WeakPolarHBondContact O-CD2 3.46Å
1219V56.1Low50.3Low78 Ų7872.6 Ų72.647%0.47337%0.365SS..EExtended strand (participates in β ladder)trans-85.4119.9176.4-174.90000109.4Y1212 I1214 N1217Y1212-V1219 HydrophobicContact CD2-CG1 3.97Å; Y1212-V1219 HydrophobicContact CG-CG1 4.17Å; I1214-V1219 HydrophobicContact CD1-CG2 4.43Å; I1214-V1219 HydrophobicContact CG1-CG2 4.2Å; N1217-V1219 PolarHBondContact O-N 3.24Å
1220F54.3Low50.1Low46 Ų4676.3 Ų76.320%0.20238%0.384CS..EExtended strand (participates in β ladder)trans-111.4116.8173.4-60.9-87.9000109.8F1103 I1105 Y1212 I1213 I1215 N1218F1103-F1220 HydrophobicContact CB-CD1 4.36Å; F1103-F1220 HydrophobicContact CB-CD2 4.49Å; F1103-F1220 HydrophobicContact CB-CE1 4.17Å; F1103-F1220 HydrophobicContact CB-CE2 4.31Å; F1103-F1220 HydrophobicContact CB-CZ 4.14Å; F1103-F1220 HydrophobicContact CD1-CB 3.5Å; F1103-F1220 VanDerWaalsContact CD1-CB 3.5Å; F1103-F1220 AromaticContact CD1-CD1 3.61Å; F1103-F1220 HydrophobicContact CD1-CD1 3.61Å; F1103-F1220 AromaticContact CD1-CD2 3.89Å; F1103-F1220 HydrophobicContact CD1-CD2 3.89Å; F1103-F1220 HydrophobicContact CD1-CE1 4.26Å; F1103-F1220 AromaticContact CD1-CG 3.39Å; F1103-F1220 HydrophobicContact CD1-CG 3.39Å; F1103-F1220 HydrophobicContact CE1-CB 3.4Å; F1103-F1220 VanDerWaalsContact CE1-CB 3.4Å; F1103-F1220 HydrophobicContact CE1-CD1 4.39Å; F1103-F1220 HydrophobicContact CE1-CD2 4.42Å; F1103-F1220 AromaticContact CE1-CG 3.86Å; F1103-F1220 HydrophobicContact CE1-CG 3.86Å; F1103-F1220 HydrophobicContact CG-CD1 4.4Å; F1103-F1220 HydrophobicContact CG-CD2 4.32Å; F1103-F1220 HydrophobicContact CG-CG 4.21Å; F1103-F1220 HydrophobicContact CZ-CB 4.48Å; I1105-F1220 HydrophobicContact CD1-CE2 4.14Å; I1105-F1220 HydrophobicContact CD1-CZ 4.24Å; I1105-F1220 HydrophobicContact CG1-CE2 4.1Å; I1105-F1220 HydrophobicContact CG1-CZ 3.77Å; Y1212-F1220 CarbonylContact C-O 3.56Å; Y1212-F1220 WeakPolarHBondContact CA-O 3.49Å; I1213-F1220 PolarHBondContact N-O 2.04Å; I1213-F1220 WeakPolarHBondContact O-CB 3.41Å; I1213-F1220 PolarHBondContact O-N 3.37Å; I1215-F1220 HydrophobicContact CB-CD2 4.39Å; I1215-F1220 HydrophobicContact CB-CE2 4.1Å; I1215-F1220 HydrophobicContact CD1-CD2 4.49Å; I1215-F1220 HydrophobicContact CG1-CD2 4.24Å; I1215-F1220 HydrophobicContact CG1-CE2 4.39Å; N1218-F1220 HydrophobicContact CB-CD2 4.36Å; N1218-F1220 HydrophobicContact CB-CE2 3.6Å; N1218-F1220 HydrophobicContact CB-CZ 3.94Å; N1218-F1220 WeakPolarHBondContact O-CD2 3.46Å
1221H55.5Low49.9Very low115 Ų11580.3 Ų80.353%0.53240%0.401SS..EExtended strand (participates in β ladder)trans-78.4140.9171.6-61.2-83.8000110E1223H1221-E1223 PolarHBondContact O-N 2.8Å
1222S51.3Low49.9Very low21 Ų2178.9 Ų78.915%0.14739%0.392CS..  trans-66107.1168.3166.80000110P1211 T1224P1211-S1222 PolarHBondContact O-N 3.31Å; S1222-T1224 PolarHBondContact O-N 2.99Å; S1222-T1224 PolarHBondContact OG-N 2.9Å; S1222-T1224 PolarHBondContact OG-O 2.85Å; S1222-T1224 PolarHBondContact OG-OG1 2.78Å
1223E47Very low50.1Low193 Ų19380.1 Ų80.190%0.90240%0.402SS*.  trans-58.9-25.7169.5-64.1-172.4155.600112.2H1221 N1225H1221-E1223 PolarHBondContact O-N 2.8Å; E1223-N1225 PolarHBondContact O-N 3.31Å
1224T43.3Very low50.6Low54 Ų5479 Ų7933%0.33140%0.396SS..SBendtrans-70.4120.5172.871.80000109.9S1222 N1226S1222-T1224 PolarHBondContact O-N 2.99Å; S1222-T1224 PolarHBondContact OG-N 2.9Å; S1222-T1224 PolarHBondContact OG-O 2.85Å; S1222-T1224 PolarHBondContact OG-OG1 2.78Å; T1224-N1226 VanDerWaalsContact CB-ND2 3.32Å; T1224-N1226 WeakPolarHBondContact CB-ND2 3.38Å; T1224-N1226 PolarHBondContact O-N 2.93Å; T1224-N1226 WeakPolarHBondContact OG1-CB 3.45Å; T1224-N1226 PolarHBondContact OG1-ND2 3.48Å
1225N35.1Very low51.3Low150 Ų15080.5 Ų80.580%0.80240%0.402SS*.  trans-68.946.6171.5-80-39.2000112E1223 R1227E1223-N1225 PolarHBondContact O-N 3.31Å; N1225-R1227 VanDerWaalsContact C-N 3.3Å; N1225-R1227 PolarHBondContact O-N 3.48Å
1226N39Very low51.8Low55 Ų5581.1 Ų81.129%0.29441%0.405SS..  trans-83.167.1-164-107-33.6000112.9V1099 T1224 Y1228V1099-N1226 HydrophobicContact CG2-CB 4.1Å; T1224-N1226 VanDerWaalsContact CB-ND2 3.32Å; T1224-N1226 WeakPolarHBondContact CB-ND2 3.38Å; T1224-N1226 PolarHBondContact O-N 2.93Å; T1224-N1226 WeakPolarHBondContact OG1-CB 3.45Å; T1224-N1226 PolarHBondContact OG1-ND2 3.48Å; N1226-Y1228 VanDerWaalsContact O-CD2 3.27Å; N1226-Y1228 WeakPolarHBondContact O-CD2 3.48Å; N1226-Y1228 PolarHBondContact O-N 2.71Å
1227R36.6Very low52.5Low162 Ų16279.3 Ų79.361%0.61140%0.396SS*.  trans13.463.9147.2-67.1-178.2173.8-175.6-1.7117.8K1097 N1225 V1229K1097-R1227 HydrophobicContact CD-CB 4Å; K1097-R1227 WeakPolarHBondContact CD-O 3.37Å; K1097-R1227 WeakPolarHBondContact CE-O 3.37Å; K1097-R1227 PolarHBondContact NZ-O 3.15Å; N1225-R1227 VanDerWaalsContact C-N 3.3Å; N1225-R1227 PolarHBondContact O-N 3.48Å; R1227-V1229 HydrophobicContact CB-CB 4.47Å; R1227-V1229 PolarHBondContact O-N 3.26Å
1228Y42.8Very low52.9Low69 Ų6972.7 Ų72.727%0.27136%0.361SS..  trans-73.715.4152.5-75.8-98.7000111.2D1044 V1099 P1211 N1226 E1230D1044-Y1228 PolarHBondContact OD2-OH 3.3Å; V1099-Y1228 HydrophobicContact CG2-CE2 4.03Å; P1211-Y1228 HydrophobicContact CG-CD2 4.49Å; P1211-Y1228 HydrophobicContact CG-CE2 4.47Å; N1226-Y1228 VanDerWaalsContact O-CD2 3.27Å; N1226-Y1228 WeakPolarHBondContact O-CD2 3.48Å; N1226-Y1228 PolarHBondContact O-N 2.71Å; Y1228-E1230 PolarHBondContact O-N 3.31Å
1229V41.4Very low53.2Low53 Ų5374.8 Ų74.832%0.32136%0.363SS..THydrogen-bonded Turntrans-87.4-1.9-147.8160.70000115L1207 R1227L1207-V1229 HydrophobicContact CB-CG1 3.95Å; L1207-V1229 HydrophobicContact CB-CG2 4.28Å; L1207-V1229 HydrophobicContact CD1-CB 4.41Å; L1207-V1229 HydrophobicContact CD1-CG1 3.93Å; L1207-V1229 WeakPolarHBondContact CD1-O 3.47Å; R1227-V1229 HydrophobicContact CB-CB 4.47Å; R1227-V1229 PolarHBondContact O-N 3.26Å
1230E43.1Very low53.3Low142 Ų14276 Ų7666%0.66437%0.366SS*.THydrogen-bonded Turntrans-120.4-11.2-167.5-69.7164140.200115.2K1097 Y1228K1097-E1230 IonicContact NZ-OE2 3.94Å; Y1228-E1230 PolarHBondContact O-N 3.31Å
1231L46.2Very low53.8Low131 Ų13178.4 Ų78.469%0.68638%0.378SS*.SBendtrans-103-15-172.3-80167000115.2
1232S52.1Low54.7Low5 Ų576.8 Ų76.84%0.03537%0.368CS..  trans-120.498-174.562.60000111.4C1234 Y1262S1232-C1234 PolarHBondContact O-N 2.56Å; S1232-Y1262 WeakPolarHBondContact OG-CE2 3.32Å
1233N60.5Low55.9Low70 Ų7075.8 Ų75.837%0.37436%0.361SS..  trans-73.255.7170.1-70.6-33.5000110.9Q1179 L1202 H1204Q1179-N1233 PolarHBondContact NE2-O 2.92Å; L1202-N1233 HydrophobicContact CD2-CB 3.81Å; H1204-N1233 PolarHBondContact CE1-OD1 2.68Å; H1204-N1233 PolarHBondContact ND1-OD1 2.93Å
1234C69.3Low57.3Low3 Ų370.2 Ų70.22%0.0234%0.335CS..SBendtrans-153.7148.2-179.262.90000109.8C1177 A1178 Q1179 S1232C1177-C1234 HydrophobicContact CB-CB 3.61Å; C1177-C1234 WeakPolarHBondContact CB-SG 3.38Å; C1177-C1234 WeakPolarHBondContact SG-CB 3.22Å; C1177-C1234 CovalentContact SG-SG 2.03Å; C1177-C1234 PolarHBondContact SG-SG 2.83Å; A1178-C1234 CarbonylContact O-C 3.56Å; A1178-C1234 WeakPolarHBondContact O-CA 3.37Å; A1178-C1234 VanDerWaalsContact O-CB 3.25Å; A1178-C1234 WeakPolarHBondContact O-CB 3.44Å; Q1179-C1234 HydrophobicContact CB-CB 4.15Å; S1232-C1234 PolarHBondContact O-N 2.56Å
1235K74.3Confident58.9Low72 Ų7267.6 Ų67.631%0.31332%0.319SS..EExtended strand (participates in β ladder)trans-88.1121.8177.5-178.2176.2174.2178.60108.8C1177 A1178 F1205 T1243 E1244 I1245C1177-K1235 CarbonylContact C-O 3.59Å; C1177-K1235 VanDerWaalsContact CA-O 3.23Å; C1177-K1235 WeakPolarHBondContact CA-O 3.41Å; C1177-K1235 VanDerWaalsContact CB-O 3.28Å; C1177-K1235 WeakPolarHBondContact CB-O 3.23Å; A1178-K1235 PolarHBondContact N-O 3.44Å; A1178-K1235 PolarHBondContact O-N 3.31Å; F1205-K1235 HydrophobicContact CD2-CB 4.08Å; F1205-K1235 HydrophobicContact CE2-CB 4.23Å; F1205-K1235 HydrophobicContact CG-CB 4.34Å; K1235-T1243 HydrophobicContact CB-CG2 4.26Å; K1235-T1243 HydrophobicContact CD-CG2 3.77Å; K1235-T1243 HydrophobicContact CG-CG2 3.82Å; K1235-E1244 PolarHBondContact NZ-O 2.9Å; K1235-I1245 HydrophobicContact CB-CD1 4.49Å; K1235-I1245 HydrophobicContact CD-CG1 4.22Å
1236P72Confident60.6Low12 Ų1265 Ų658%0.07831%0.31CS..EExtended strand (participates in β ladder)trans-57.4143.8179.624-32.2000110.7Y1209 Y1262Y1209-P1236 HydrophobicContact CD1-CG 4.1Å; Y1209-P1236 HydrophobicContact CD2-CG 3.93Å; Y1209-P1236 HydrophobicContact CE1-CG 4.41Å; Y1209-P1236 HydrophobicContact CE2-CG 4.25Å; Y1209-P1236 HydrophobicContact CG-CG 3.85Å; P1236-Y1262 HydrophobicContact CB-CD2 3.88Å; P1236-Y1262 HydrophobicContact CB-CE2 3.93Å; P1236-Y1262 HydrophobicContact CB-CG 4.25Å; P1236-Y1262 HydrophobicContact CG-CD2 4.42Å; P1236-Y1262 HydrophobicContact CG-CE2 3.97Å
1237L72.5Confident62Low1 Ų163.2 Ų63.21%0.00530%0.3CS..PPolyproline II helixtrans-68.5160.9170-60.5-170.4000109.9P1155 F1169 P1174 L1176 A1178 T1243 Y1259P1155-L1237 HydrophobicContact CG-CD1 3.8Å; F1169-L1237 HydrophobicContact CB-CD2 4.03Å; P1174-L1237 WeakPolarHBondContact CA-O 3.37Å; P1174-L1237 WeakPolarHBondContact CB-O 3.26Å; L1176-L1237 HydrophobicContact CB-CD1 3.65Å; L1176-L1237 HydrophobicContact CB-CG 3.99Å; L1176-L1237 HydrophobicContact CD1-CD1 4.15Å; L1176-L1237 PolarHBondContact O-N 2.88Å; A1178-L1237 HydrophobicContact CB-CD2 4.13Å; L1237-T1243 WeakPolarHBondContact CA-OG1 3.09Å; L1237-T1243 HydrophobicContact CD2-CG2 4.08Å; L1237-Y1259 HydrophobicContact CD1-CD1 3.98Å; L1237-Y1259 HydrophobicContact CD1-CE1 3.97Å; L1237-Y1259 HydrophobicContact CD2-CD1 4.42Å; L1237-Y1259 HydrophobicContact CD2-CE1 4.3Å
1238S65.2Low63.3Low9 Ų965 Ų656%0.06331%0.307CS..  trans-116.9151.3167-157.60000112G1172 D1240 H1241G1172-S1238 PolarHBondContact N-O 3.13Å; G1172-S1238 CarbonylContact O-C 3.54Å; S1238-D1240 VanDerWaalsContact C-N 3.26Å; S1238-D1240 VanDerWaalsContact CB-OD1 3.27Å; S1238-D1240 WeakPolarHBondContact CB-OD1 3.36Å; S1238-D1240 PolarHBondContact O-N 3.2Å; S1238-D1240 PolarHBondContact OG-OD1 2.96Å; S1238-H1241 WeakPolarHBondContact CB-NE2 3.41Å
1239W60.7Low63.9Low129 Ų12963.6 Ų63.649%0.48930%0.304SS..SBendtrans-64.3-31.1177.3-72.4117000112.8G1172 N1173 P1174G1172-W1239 PolarHBondContact O-N 2.97Å; N1173-W1239 HydrophobicContact CB-CH2 3.65Å; N1173-W1239 HydrophobicContact CB-CZ2 4.03Å; N1173-W1239 HydrophobicContact CB-CZ3 3.91Å; N1173-W1239 VanDerWaalsContact CG-CH2 3.45Å; N1173-W1239 VanDerWaalsContact ND2-CH2 3.29Å; N1173-W1239 WeakPolarHBondContact ND2-CH2 3.46Å; P1174-W1239 VanDerWaalsContact CD-CE2 3.4Å
1240D58.2Low64.5Low103 Ų10367.4 Ų67.455%0.55132%0.318SS*.SBendtrans-109.5-37.9-165.159.2-17.5000113.8K1171 S1238K1171-D1240 WeakPolarHBondContact CD-O 3.49Å; K1171-D1240 VanDerWaalsContact CE-O 3.27Å; K1171-D1240 WeakPolarHBondContact CE-O 3.47Å; K1171-D1240 PolarHBondContact NZ-O 3.18Å; S1238-D1240 VanDerWaalsContact C-N 3.26Å; S1238-D1240 VanDerWaalsContact CB-OD1 3.27Å; S1238-D1240 WeakPolarHBondContact CB-OD1 3.36Å; S1238-D1240 PolarHBondContact O-N 3.2Å; S1238-D1240 PolarHBondContact OG-OD1 2.96Å
1241H63.7Low65Low98 Ų9868.9 Ų68.945%0.45433%0.331SS..SBendtrans-119.1149.6-175.770.573.2000113.7S1238S1238-H1241 WeakPolarHBondContact CB-NE2 3.41Å
1242Y74.9Confident65.3Low81 Ų8169.5 Ų69.532%0.31833%0.328SS..  trans-60.6149.3172.7-77.6-88000110.5D164 F1169 K1171 E1244D164-Y1242 PolarHBondContact OD1-OH 2.9Å; F1169-Y1242 WeakPolarHBondContact O-CD1 3.15Å; K1171-Y1242 HydrophobicContact CD-CD2 4.45Å; K1171-Y1242 HydrophobicContact CD-CE2 4.33Å; K1171-Y1242 HydrophobicContact CG-CD1 4.35Å; K1171-Y1242 HydrophobicContact CG-CD2 4.1Å; K1171-Y1242 HydrophobicContact CG-CE1 4.44Å; K1171-Y1242 HydrophobicContact CG-CE2 4.19Å; K1171-Y1242 HydrophobicContact CG-CG 4.17Å; Y1242-E1244 PolarHBondContact O-N 3.47Å
1243T75.5Confident65.8Low0 Ų072.5 Ų72.50%034%0.341CS..EExtended strand (participates in β ladder)trans-10188.5-178.9-60.70000109.5F1169 A1178 K1235 L1237F1169-T1243 PolarHBondContact N-O 3.23Å; F1169-T1243 VanDerWaalsContact N-O 3.09Å; F1169-T1243 PolarHBondContact O-N 3.49Å; A1178-T1243 HydrophobicContact CB-CG2 3.9Å; K1235-T1243 HydrophobicContact CB-CG2 4.26Å; K1235-T1243 HydrophobicContact CD-CG2 3.77Å; K1235-T1243 HydrophobicContact CG-CG2 3.82Å; L1237-T1243 WeakPolarHBondContact CA-OG1 3.09Å; L1237-T1243 HydrophobicContact CD2-CG2 4.08Å
1244E76.6Confident66Low75 Ų7574.1 Ų74.135%0.3535%0.346SS..EExtended strand (participates in β ladder)trans-82.4138.9-177-42.2-165.512400111.4L1166 I1167 Q1168 K1235 Y1242L1166-E1244 HydrophobicContact CD2-CB 4.19Å; I1167-E1244 WeakPolarHBondContact O-CA 3.04Å; Q1168-E1244 HydrophobicContact CG-CG 4.2Å; Q1168-E1244 PolarHBondContact NE2-OE1 3.1Å; K1235-E1244 PolarHBondContact NZ-O 2.9Å; Y1242-E1244 PolarHBondContact O-N 3.47Å
1245I77.1Confident66.1Low0 Ų075.4 Ų75.40%035%0.351CS..EExtended strand (participates in β ladder)trans-126115176-75166.5000108I1167 F1169 A1178 V1180 I1203 F1205 K1235I1167-I1245 PolarHBondContact N-O 2.79Å; I1167-I1245 PolarHBondContact O-N 3.44Å; F1169-I1245 HydrophobicContact CD2-CD1 4.21Å; F1169-I1245 HydrophobicContact CE2-CD1 3.75Å; F1169-I1245 HydrophobicContact CZ-CD1 4.5Å; A1178-I1245 HydrophobicContact CB-CD1 3.83Å; V1180-I1245 HydrophobicContact CB-CG2 4.33Å; V1180-I1245 HydrophobicContact CG2-CB 4.39Å; V1180-I1245 HydrophobicContact CG2-CD1 3.75Å; V1180-I1245 HydrophobicContact CG2-CG2 4.08Å; I1203-I1245 HydrophobicContact CD1-CG2 4.2Å; F1205-I1245 HydrophobicContact CE1-CB 4.46Å; F1205-I1245 HydrophobicContact CE1-CD1 4.11Å; F1205-I1245 HydrophobicContact CE1-CG1 3.84Å; F1205-I1245 HydrophobicContact CE1-CG2 3.9Å; F1205-I1245 HydrophobicContact CE2-CD1 4.22Å; F1205-I1245 HydrophobicContact CZ-CD1 3.52Å; F1205-I1245 HydrophobicContact CZ-CG1 3.79Å; F1205-I1245 HydrophobicContact CZ-CG2 3.98Å; K1235-I1245 HydrophobicContact CB-CD1 4.49Å; K1235-I1245 HydrophobicContact CD-CG1 4.22Å
1246P70.7Confident66.2Low95 Ų9575.7 Ų75.762%0.61735%0.35SS*.EExtended strand (participates in β ladder)trans-72.8143.717830.2-34.4000111.5L1166L1166-P1246 HydrophobicContact CD2-CB 4.01Å
1247I69.6Low66.7Low17 Ų1775.1 Ų75.19%0.08735%0.346CS..  trans-130.6169.2-176.4-49.8-174.3000107E1165 I1167 F1255E1165-I1247 VanDerWaalsContact CB-O 3.3Å; E1165-I1247 WeakPolarHBondContact CB-O 3.37Å; E1165-I1247 WeakPolarHBondContact O-CA 3.34Å; E1165-I1247 VanDerWaalsContact O-CB 3.27Å; E1165-I1247 WeakPolarHBondContact O-CB 3.24Å; E1165-I1247 PolarHBondContact O-N 2.8Å; I1167-I1247 HydrophobicContact CB-CD1 3.91Å; I1167-I1247 HydrophobicContact CD1-CD1 3.56Å; I1167-I1247 HydrophobicContact CG1-CD1 3.48Å; I1167-I1247 VanDerWaalsContact CG1-CD1 3.48Å; I1247-F1255 HydrophobicContact CD1-CD1 4.22Å; I1247-F1255 HydrophobicContact CD1-CG 4.47Å; I1247-F1255 HydrophobicContact CG2-CD1 3.8Å; I1247-F1255 HydrophobicContact CG2-CE1 3.14Å; I1247-F1255 HydrophobicContact CG2-CE2 4.04Å; I1247-F1255 HydrophobicContact CG2-CG 4.46Å; I1247-F1255 HydrophobicContact CG2-CZ 3.29Å
1248R62.8Low67.2Low199 Ų19977.2 Ų77.275%0.75135%0.354SS*.  trans-120114.4161.2-75.8-179.2171.8172.9-2.9109Q1250R1248-Q1250 VanDerWaalsContact C-N 3.27Å; R1248-Q1250 PolarHBondContact O-N 3.49Å
1249L56.7Low68.1Low40 Ų4076.8 Ų76.821%0.20935%0.351CS..  trans-84.168.1-179.7-72.3173.5000110.4E1162 E1165 F1255E1162-L1249 HydrophobicContact CB-CD1 4.13Å; E1162-L1249 HydrophobicContact CG-CD1 4.32Å; E1165-L1249 HydrophobicContact CB-CD1 4.27Å; E1165-L1249 HydrophobicContact CB-CG 4.21Å; E1165-L1249 HydrophobicContact CG-CB 4.17Å; E1165-L1249 HydrophobicContact CG-CD1 4.25Å; E1165-L1249 HydrophobicContact CG-CG 4.26Å; E1165-L1249 WeakPolarHBondContact OE1-CA 3.41Å; E1165-L1249 WeakPolarHBondContact OE1-CB 3.41Å; E1165-L1249 PolarHBondContact OE1-N 3.38Å; L1249-F1255 HydrophobicContact CD2-CD2 4.26Å; L1249-F1255 HydrophobicContact CD2-CE2 3.68Å; L1249-F1255 HydrophobicContact CD2-CZ 4.4Å
1250Q53.3Low68.8Low133 Ų13370.7 Ų70.762%0.62133%0.328SS*.  trans-71.4137.2157.9-61.5-172.4-1800109.1R1248 K1252 F1253R1248-Q1250 VanDerWaalsContact C-N 3.27Å; R1248-Q1250 PolarHBondContact O-N 3.49Å; Q1250-K1252 PolarHBondContact O-N 2.89Å; Q1250-F1253 HydrophobicContact CB-CD2 3.94Å; Q1250-F1253 HydrophobicContact CB-CE2 3.74Å; Q1250-F1253 HydrophobicContact CG-CE2 4.24Å; Q1250-F1253 PolarHBondContact O-N 3.17Å
1251N54.5Low69.5Low174 Ų17466 Ų6693%0.9330%0.303SS*.THydrogen-bonded Turntrans-62.420.6-168.5-66.4-11.8000117.2
1252K52.1Low69.6Low144 Ų14462 Ų6263%0.62628%0.284SS*.THydrogen-bonded Turntrans-136.75.9179.9-71.1-166.8176-176.30115.3Q1250Q1250-K1252 PolarHBondContact O-N 2.89Å
1253F61Low69.1Low68 Ų6860 Ų6030%0.29829%0.288SS..EExtended strand (participates in β ladder)trans-99.5142.2178.6-60.7-49.3000112.7V1182 T1184 Q1250 F1255V1182-F1253 HydrophobicContact CG1-CB 4.15Å; V1182-F1253 HydrophobicContact CG1-CD1 4.32Å; V1182-F1253 HydrophobicContact CG1-CG 4.18Å; T1184-F1253 HydrophobicContact CG2-CD1 3.9Å; T1184-F1253 HydrophobicContact CG2-CE1 3.67Å; Q1250-F1253 HydrophobicContact CB-CD2 3.94Å; Q1250-F1253 HydrophobicContact CB-CE2 3.74Å; Q1250-F1253 HydrophobicContact CG-CE2 4.24Å; Q1250-F1253 PolarHBondContact O-N 3.17Å; F1253-F1255 HydrophobicContact CB-CE1 4.3Å; F1253-F1255 HydrophobicContact CB-CE2 3.67Å; F1253-F1255 HydrophobicContact CB-CZ 3.45Å; F1253-F1255 VanDerWaalsContact CB-CZ 3.45Å; F1253-F1255 HydrophobicContact CD2-CZ 4.49Å; F1253-F1255 HydrophobicContact CG-CZ 4.36Å
1254H64.5Low68.4Low103 Ų10362.3 Ų62.348%0.47730%0.297SS..EExtended strand (participates in β ladder)trans-103.8153.4166.8-68.7-33.4000109.8G1183 W1200G1183-H1254 PolarHBondContact N-O 3.12Å; G1183-H1254 PolarHBondContact O-N 3.24Å; W1200-H1254 HydrophobicContact CH2-CB 3.76Å; W1200-H1254 HydrophobicContact CZ2-CB 4.37Å; W1200-H1254 HydrophobicContact CZ3-CB 4.46Å
1255F72.3Confident67.5Low30 Ų3062.2 Ų62.213%0.13231%0.305CS..EExtended strand (participates in β ladder)trans-132.7144.4-177.8-58.9-82.8000110.7I1167 E1181 V1182 I1247 L1249 F1253I1167-F1255 HydrophobicContact CD1-CB 4.15Å; E1181-F1255 WeakPolarHBondContact O-CA 3.33Å; V1182-F1255 HydrophobicContact CB-CD1 4.24Å; V1182-F1255 HydrophobicContact CB-CE1 3.99Å; V1182-F1255 HydrophobicContact CG1-CD1 4.14Å; V1182-F1255 HydrophobicContact CG1-CE1 3.5Å; V1182-F1255 HydrophobicContact CG1-CZ 4.12Å; V1182-F1255 HydrophobicContact CG2-CD1 3.88Å; V1182-F1255 HydrophobicContact CG2-CE1 3.64Å; I1247-F1255 HydrophobicContact CD1-CD1 4.22Å; I1247-F1255 HydrophobicContact CD1-CG 4.47Å; I1247-F1255 HydrophobicContact CG2-CD1 3.8Å; I1247-F1255 HydrophobicContact CG2-CE1 3.14Å; I1247-F1255 HydrophobicContact CG2-CE2 4.04Å; I1247-F1255 HydrophobicContact CG2-CG 4.46Å; I1247-F1255 HydrophobicContact CG2-CZ 3.29Å; L1249-F1255 HydrophobicContact CD2-CD2 4.26Å; L1249-F1255 HydrophobicContact CD2-CE2 3.68Å; L1249-F1255 HydrophobicContact CD2-CZ 4.4Å; F1253-F1255 HydrophobicContact CB-CE1 4.3Å; F1253-F1255 HydrophobicContact CB-CE2 3.67Å; F1253-F1255 HydrophobicContact CB-CZ 3.45Å; F1253-F1255 VanDerWaalsContact CB-CZ 3.45Å; F1253-F1255 HydrophobicContact CD2-CZ 4.49Å; F1253-F1255 HydrophobicContact CG-CZ 4.36Å
1256R76.3Confident66.6Low78 Ų7867.9 Ų67.929%0.29434%0.34SS..EExtended strand (participates in β ladder)trans-139145.8173.870.7-177.1-173.2174.21.8110.8V1180 E1181 W1200 Y1271V1180-R1256 WeakPolarHBondContact CA-O 3.06Å; E1181-R1256 HydrophobicContact CB-CG 4Å; E1181-R1256 PolarHBondContact N-O 2.93Å; E1181-R1256 PolarHBondContact O-N 3.4Å; E1181-R1256 IonicContact OE2-CZ 3.42Å; E1181-R1256 IonicContact OE2-NE 2.68Å; E1181-R1256 PolarHBondContact OE2-NE 3.38Å; E1181-R1256 IonicContact OE2-NH2 3.11Å; E1181-R1256 PolarHBondContact OE2-NH2 3.11Å; W1200-R1256 HydrophobicContact CD2-CG 4.49Å; W1200-R1256 HydrophobicContact CE3-CG 3.71Å; W1200-R1256 HydrophobicContact CH2-CB 4.25Å; W1200-R1256 HydrophobicContact CH2-CG 4.19Å; W1200-R1256 HydrophobicContact CZ3-CB 3.91Å; W1200-R1256 HydrophobicContact CZ3-CG 3.55Å; R1256-Y1271 HydrophobicContact CB-CD1 4.03Å; R1256-Y1271 HydrophobicContact CB-CG 4.32Å; R1256-Y1271 HydrophobicContact CG-CD1 3.54Å; R1256-Y1271 HydrophobicContact CG-CE1 3.92Å; R1256-Y1271 HydrophobicContact CG-CG 4.01Å
1257A83.2Confident66.5Low0 Ų067.2 Ų67.20%033%0.329CS..EExtended strand (participates in β ladder)trans-140.1146.6-167.100000111.3I1158 I1167 F1169 Q1179 V1180 Y1271 M1272I1158-A1257 HydrophobicContact CD1-CB 3.7Å; I1158-A1257 HydrophobicContact CG2-CB 3.96Å; I1167-A1257 HydrophobicContact CD1-CB 4.4Å; I1167-A1257 HydrophobicContact CG2-CB 4.45Å; F1169-A1257 HydrophobicContact CE1-CB 4.26Å; F1169-A1257 HydrophobicContact CE2-CB 4.39Å; F1169-A1257 HydrophobicContact CZ-CB 3.68Å; Q1179-A1257 WeakPolarHBondContact O-CA 3.4Å; V1180-A1257 HydrophobicContact CG2-CB 4.21Å; A1257-Y1271 CarbonylContact O-C 3.52Å; A1257-Y1271 WeakPolarHBondContact O-CA 3.36Å; A1257-M1272 PolarHBondContact O-N 2.9Å
1258R82.1Confident66.9Low46 Ų4667.7 Ų67.717%0.17433%0.334CS..EExtended strand (participates in β ladder)trans-153.3155.4178.964.2179.6-175.9170.30.1113F1169 Q1179 C1268 T1269 Y1271F1169-R1258 WeakPolarHBondContact CE1-O 3.04Å; Q1179-R1258 HydrophobicContact CB-CG 4.24Å; Q1179-R1258 PolarHBondContact N-O 3.03Å; Q1179-R1258 PolarHBondContact O-N 3.27Å; Q1179-R1258 VanDerWaalsContact OE1-CZ 3.26Å; R1258-C1268 HydrophobicContact CG-CB 4.29Å; R1258-T1269 WeakPolarHBondContact CB-OG1 3.46Å; R1258-T1269 WeakPolarHBondContact CD-O 3.48Å; R1258-Y1271 HydrophobicContact CB-CD1 4.15Å; R1258-Y1271 HydrophobicContact CG-CD1 4Å; R1258-Y1271 HydrophobicContact CG-CE1 3.88Å
1259Y84.5Confident67.7Low0 Ų059.3 Ų59.30%031%0.305CS..EExtended strand (participates in β ladder)trans-88.6141.1170.8-62.1-83.8000109.8P1154 P1155 G1156 P1157 I1158 F1169 S1170 C1177 L1237 C1268 T1269 M1272P1154-Y1259 HydrophobicContact CB-CD2 3.82Å; P1154-Y1259 HydrophobicContact CB-CE2 3.94Å; P1155-Y1259 HydrophobicContact CG-CD1 4.08Å; P1155-Y1259 HydrophobicContact CG-CE1 3.52Å; G1156-Y1259 WeakPolarHBondContact O-CE2 3.4Å; G1156-Y1259 PolarHBondContact O-OH 2.91Å; P1157-Y1259 PolarHBondContact O-OH 3.46Å; I1158-Y1259 HydrophobicContact CD1-CD2 4.44Å; I1158-Y1259 HydrophobicContact CD1-CE2 4.06Å; I1158-Y1259 HydrophobicContact CG1-CE2 3.88Å; F1169-Y1259 HydrophobicContact CB-CE1 4.06Å; F1169-Y1259 AromaticContact CD1-CD1 3.91Å; F1169-Y1259 HydrophobicContact CD1-CD1 3.91Å; F1169-Y1259 AromaticContact CD1-CE1 3.63Å; F1169-Y1259 HydrophobicContact CD1-CE1 3.63Å; F1169-Y1259 HydrophobicContact CD1-CG 4.5Å; F1169-Y1259 AromaticContact CD1-CZ 3.98Å; F1169-Y1259 HydrophobicContact CG-CE1 4.35Å; S1170-Y1259 PolarHBondContact N-OH 3.18Å; C1177-Y1259 CarbonylContact O-C 3.59Å; C1177-Y1259 WeakPolarHBondContact O-CA 3.25Å; L1237-Y1259 HydrophobicContact CD1-CD1 3.98Å; L1237-Y1259 HydrophobicContact CD1-CE1 3.97Å; L1237-Y1259 HydrophobicContact CD2-CD1 4.42Å; L1237-Y1259 HydrophobicContact CD2-CE1 4.3Å; Y1259-C1268 CarbonylContact O-C 3.58Å; Y1259-C1268 WeakPolarHBondContact O-CA 3.2Å; Y1259-C1268 WeakPolarHBondContact O-CB 3.46Å; Y1259-T1269 PolarHBondContact N-OG1 3.42Å; Y1259-T1269 PolarHBondContact O-N 3.29Å; Y1259-M1272 HydrophobicContact CD2-SD 4.13Å; Y1259-M1272 HydrophobicContact CE2-SD 4.03Å
1260C74.6Confident68.7Low0 Ų065.7 Ų65.70%033%0.333CS..EExtended strand (participates in β ladder)trans-130.3163.2175.9-60.60000110.6L1176 C1177 M1267 C1268L1176-C1260 CarbonylContact C-O 3.52Å; L1176-C1260 VanDerWaalsContact CA-O 3.27Å; L1176-C1260 WeakPolarHBondContact CA-O 3.26Å; C1177-C1260 PolarHBondContact N-O 2.84Å; C1177-C1260 PolarHBondContact O-N 3.39Å; C1260-M1267 CarbonylContact C-O 3.54Å; C1260-M1267 VanDerWaalsContact CA-O 3.26Å; C1260-M1267 WeakPolarHBondContact CA-O 3.32Å; C1260-C1268 HydrophobicContact CB-CB 3.96Å; C1260-C1268 WeakPolarHBondContact CB-SG 3.48Å; C1260-C1268 WeakPolarHBondContact SG-CB 3.42Å; C1260-C1268 CovalentContact SG-SG 2.04Å; C1260-C1268 PolarHBondContact SG-SG 3.16Å
1261I72.7Confident69.8Low4 Ų462.9 Ų62.92%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-77.3129.9167.1-48.5-175.7000108.6P1120 L1152 A1175 G1263 Y1264 M1267P1120-I1261 HydrophobicContact CG-CG2 4.45Å; L1152-I1261 HydrophobicContact CD1-CD1 4.41Å; L1152-I1261 HydrophobicContact CD1-CG1 3.53Å; A1175-I1261 CarbonylContact O-C 3.53Å; A1175-I1261 WeakPolarHBondContact O-CA 3.42Å; A1175-I1261 VanDerWaalsContact O-CG2 3.25Å; A1175-I1261 WeakPolarHBondContact O-CG2 3.08Å; I1261-G1263 PolarHBondContact O-N 3.13Å; I1261-Y1264 HydrophobicContact CB-CD2 3.72Å; I1261-Y1264 HydrophobicContact CB-CE2 4.43Å; I1261-Y1264 HydrophobicContact CB-CG 4.22Å; I1261-Y1264 HydrophobicContact CG2-CD2 3.5Å; I1261-Y1264 HydrophobicContact CG2-CE2 3.81Å; I1261-Y1264 HydrophobicContact CG2-CG 4.46Å; I1261-Y1264 PolarHBondContact O-N 3.06Å; I1261-M1267 HydrophobicContact CB-CB 4.5Å; I1261-M1267 HydrophobicContact CD1-CB 3.95Å; I1261-M1267 HydrophobicContact CD1-SD 3.94Å; I1261-M1267 HydrophobicContact CG1-CB 4Å; I1261-M1267 PolarHBondContact N-O 3.47Å
1262Y67.6Low70.7Confident14 Ų1457.7 Ų57.76%0.05529%0.289CS..THydrogen-bonded Turntrans-60.2134.3177.3-172-118.8000110.8M1119 P1174 A1175 C1177 S1232 P1236 Y1264M1119-Y1262 HydrophobicContact CE-CD1 4.13Å; M1119-Y1262 HydrophobicContact CE-CE1 4.34Å; P1174-Y1262 WeakPolarHBondContact O-CB 3.42Å; A1175-Y1262 PolarHBondContact O-N 3.49Å; C1177-Y1262 HydrophobicContact CB-CD2 3.98Å; S1232-Y1262 WeakPolarHBondContact OG-CE2 3.32Å; P1236-Y1262 HydrophobicContact CB-CD2 3.88Å; P1236-Y1262 HydrophobicContact CB-CE2 3.93Å; P1236-Y1262 HydrophobicContact CB-CG 4.25Å; P1236-Y1262 HydrophobicContact CG-CD2 4.42Å; P1236-Y1262 HydrophobicContact CG-CE2 3.97Å; Y1262-Y1264 VanDerWaalsContact C-N 3.32Å
1263G62.5Low71.4Confident39 Ų3960.2 Ų60.240%0.40230%0.3SS..THydrogen-bonded Turntrans82.3-8.8-170.200000116.1I1261I1261-G1263 PolarHBondContact O-N 3.13Å
1264Y62Low71.8Confident49 Ų4958.1 Ų58.119%0.19229%0.293CS..  trans-115.3120.4178.3-65.1-102.2000111.6I1047 I1261 Y1262 M1267I1047-Y1264 HydrophobicContact CD1-CE1 4.34Å; I1047-Y1264 HydrophobicContact CD1-CE2 4.44Å; I1047-Y1264 VanDerWaalsContact CD1-OH 3.22Å; I1047-Y1264 WeakPolarHBondContact CD1-OH 3.48Å; I1261-Y1264 HydrophobicContact CB-CD2 3.72Å; I1261-Y1264 HydrophobicContact CB-CE2 4.43Å; I1261-Y1264 HydrophobicContact CB-CG 4.22Å; I1261-Y1264 HydrophobicContact CG2-CD2 3.5Å; I1261-Y1264 HydrophobicContact CG2-CE2 3.81Å; I1261-Y1264 HydrophobicContact CG2-CG 4.46Å; I1261-Y1264 PolarHBondContact O-N 3.06Å; Y1262-Y1264 VanDerWaalsContact C-N 3.32Å; Y1264-M1267 HydrophobicContact CD1-CG 4.45Å; Y1264-M1267 HydrophobicContact CD1-SD 4.14Å; Y1264-M1267 HydrophobicContact CE1-SD 4.27Å
1265S57.1Low72Confident74 Ų7457.4 Ų57.452%0.51729%0.291SS..SBendtrans-80.7-15.3178.855.60000114.8
1266T59.1Low71.5Confident119 Ų11962 Ų6273%0.7331%0.312SS*.SBendtrans-112.4-21.8-173.653.60000114.8C1268T1266-C1268 PolarHBondContact O-N 2.75Å
1267M68.9Low70.6Confident80 Ų8064.2 Ų64.239%0.39433%0.329SS..  trans-88.888.7179.3-73.8-169.9160.500110.2F1149 C1260 I1261 Y1264F1149-M1267 HydrophobicContact CE2-CE 4.48Å; F1149-M1267 HydrophobicContact CE2-SD 4.41Å; F1149-M1267 HydrophobicContact CZ-CE 4.42Å; F1149-M1267 HydrophobicContact CZ-SD 4.39Å; C1260-M1267 CarbonylContact C-O 3.54Å; C1260-M1267 VanDerWaalsContact CA-O 3.26Å; C1260-M1267 WeakPolarHBondContact CA-O 3.32Å; I1261-M1267 HydrophobicContact CB-CB 4.5Å; I1261-M1267 HydrophobicContact CD1-CB 3.95Å; I1261-M1267 HydrophobicContact CD1-SD 3.94Å; I1261-M1267 HydrophobicContact CG1-CB 4Å; I1261-M1267 PolarHBondContact N-O 3.47Å; Y1264-M1267 HydrophobicContact CD1-CG 4.45Å; Y1264-M1267 HydrophobicContact CD1-SD 4.14Å; Y1264-M1267 HydrophobicContact CE1-SD 4.27Å
1268C77.3Confident69.3Low27 Ų2771.3 Ų71.318%0.18237%0.366CS..BIsolated β-bridgetrans-136.2161.1-178.9-51.70000112.3L1152 R1258 Y1259 C1260 T1266L1152-C1268 VanDerWaalsContact CD2-C 3.4Å; R1258-C1268 HydrophobicContact CG-CB 4.29Å; Y1259-C1268 CarbonylContact O-C 3.58Å; Y1259-C1268 WeakPolarHBondContact O-CA 3.2Å; Y1259-C1268 WeakPolarHBondContact O-CB 3.46Å; C1260-C1268 HydrophobicContact CB-CB 3.96Å; C1260-C1268 WeakPolarHBondContact CB-SG 3.48Å; C1260-C1268 WeakPolarHBondContact SG-CB 3.42Å; C1260-C1268 CovalentContact SG-SG 2.04Å; C1260-C1268 PolarHBondContact SG-SG 3.16Å; T1266-C1268 PolarHBondContact O-N 2.75Å
1269T78.8Confident68.1Low24 Ų2472.7 Ų72.715%0.14738%0.382CS..  trans-68168.3167.7650000110.4L1152 R1258 Y1259L1152-T1269 HydrophobicContact CD2-CG2 3.66Å; L1152-T1269 HydrophobicContact CG-CG2 4.27Å; R1258-T1269 WeakPolarHBondContact CB-OG1 3.46Å; R1258-T1269 WeakPolarHBondContact CD-O 3.48Å; Y1259-T1269 PolarHBondContact N-OG1 3.42Å; Y1259-T1269 PolarHBondContact O-N 3.29Å
1270E78Confident66.7Low173 Ų17377.5 Ų77.581%0.80841%0.412SS*.  trans-58.1161.3159.2-63.3-168.3163.100111.2M1272E1270-M1272 PolarHBondContact O-N 2.93Å
1271Y77Confident66.1Low74 Ų7484.1 Ų84.129%0.2944%0.442SS..  trans-74.4108.9176.8-69.9-77.2000110.7E1181 R1256 A1257 R1258E1181-Y1271 VanDerWaalsContact CD-OH 3.3Å; E1181-Y1271 PolarHBondContact OE1-OH 3.31Å; E1181-Y1271 PolarHBondContact OE2-OH 3.13Å; R1256-Y1271 HydrophobicContact CB-CD1 4.03Å; R1256-Y1271 HydrophobicContact CB-CG 4.32Å; R1256-Y1271 HydrophobicContact CG-CD1 3.54Å; R1256-Y1271 HydrophobicContact CG-CE1 3.92Å; R1256-Y1271 HydrophobicContact CG-CG 4.01Å; A1257-Y1271 CarbonylContact O-C 3.52Å; A1257-Y1271 WeakPolarHBondContact O-CA 3.36Å; R1258-Y1271 HydrophobicContact CB-CD1 4.15Å; R1258-Y1271 HydrophobicContact CG-CD1 4Å; R1258-Y1271 HydrophobicContact CG-CE1 3.88Å
1272M73.9Confident65.9Low65 Ų6589.9 Ų89.932%0.3247%0.472SS..BIsolated β-bridgetrans-78.6137.7176.9-55.9174.276.800109.3I1158 A1257 Y1259 E1270I1158-M1272 HydrophobicContact CD1-CB 4.14Å; I1158-M1272 HydrophobicContact CD1-SD 4.11Å; I1158-M1272 HydrophobicContact CG1-SD 4.34Å; A1257-M1272 PolarHBondContact O-N 2.9Å; Y1259-M1272 HydrophobicContact CD2-SD 4.13Å; Y1259-M1272 HydrophobicContact CE2-SD 4.03Å; E1270-M1272 PolarHBondContact O-N 2.93Å
1273K66.8Low66.3Low198 Ų19894.4 Ų94.486%0.86150%0.501SS*.PPolyproline II helixtrans-72.2129.3164.6-79.2-174.8176.91780108.4
1274P69.3Low66.8Low23 Ų2397.4 Ų97.415%0.14951%0.507CS..PPolyproline II helixtrans-61145170.6-22.934.1000111.5I1158 L1160 I1167I1158-P1274 HydrophobicContact CG2-CB 4.49Å; I1158-P1274 HydrophobicContact CG2-CG 4.4Å; I1158-P1274 CarbonylContact O-C 3.6Å; I1158-P1274 VanDerWaalsContact O-CA 3.25Å; I1158-P1274 WeakPolarHBondContact O-CA 3.38Å; L1160-P1274 HydrophobicContact CB-CB 3.53Å; L1160-P1274 HydrophobicContact CB-CG 4.28Å; I1167-P1274 HydrophobicContact CD1-CG 3.96Å; I1167-P1274 HydrophobicContact CG1-CG 4.41Å
1275I69.1Low67.6Low88 Ų8899.8 Ų99.845%0.45153%0.526SS..BIsolated β-bridgetrans-71.8135.6170.9-57.2179000108.4P1157 I1158 L1160P1157-I1275 HydrophobicContact CB-CD1 3.77Å; I1158-I1275 PolarHBondContact O-N 3.44Å; L1160-I1275 PolarHBondContact N-O 3.28Å
1276K61.5Low68.6Low128 Ų12899.2 Ų99.256%0.55753%0.526SS*.PPolyproline II helixtrans-100.2134.6171.3-78.7171.2160.1-76.30109.2E1162E1162-K1276 VanDerWaalsContact CD-NZ 3.29Å; E1162-K1276 IonicContact OE1-NZ 2.93Å; E1162-K1276 PolarHBondContact OE1-NZ 3.2Å; E1162-K1276 IonicContact OE2-NZ 2.82Å; E1162-K1276 PolarHBondContact OE2-NZ 3.14Å
1277D57.4Low69.6Low124 Ų12496.4 Ų96.466%0.66351%0.514SS*.PPolyproline II helixtrans-73.8150.9177.2-64-34.4000112.6
1278I55.5Low70.3Confident149 Ų14998 Ų9876%0.76452%0.524SS*.PPolyproline II helixtrans-87.5133.2-175-63.4175.6000110.5T1280I1278-T1280 PolarHBondContact O-N 3.41Å
1279S56.1Low70.6Confident74 Ų74102.6 Ų102.652%0.51755%0.546SS..PPolyproline II helixtrans-64.7131.9-179.3-174.90000113H1281S1279-H1281 VanDerWaalsContact C-N 3.26Å; S1279-H1281 PolarHBondContact O-N 3.17Å
1280T56.7Low70.8Confident102 Ų102105.7 Ų105.763%0.62657%0.568SS**THydrogen-bonded Turntrans-64.3-21.5-170.450.30000115I1278 I1282 V1283I1278-T1280 PolarHBondContact O-N 3.41Å; T1280-I1282 PolarHBondContact O-N 3.47Å; T1280-V1283 PolarHBondContact O-N 3.43Å
1281H61.5Low71Confident139 Ų139102.7 Ų102.764%0.64456%0.556SS**Hα-helixtrans-58.1-31.3-176.8-75.1-71000114.2S1279 V1283 I1284S1279-H1281 VanDerWaalsContact C-N 3.26Å; S1279-H1281 PolarHBondContact O-N 3.17Å; H1281-V1283 VanDerWaalsContact C-N 3.32Å; H1281-V1283 PolarHBondContact O-N 3.17Å; H1281-I1284 PolarHBondContact O-N 3.2Å
1282I67.7Low71.3Confident125 Ų125103.6 Ų103.664%0.64157%0.57SS**Hα-helixtrans-66.4-35.5-177.6-60.1175.7000111.2T1280 I1284T1280-I1282 PolarHBondContact O-N 3.47Å; I1282-I1284 PolarHBondContact O-N 3.43Å
1283V75.5Confident71.7Confident109 Ų109105.6 Ų105.666%0.66158%0.581SS**Hα-helixtrans-68.7-35.4-176.8-174.90000111.7T1280 H1281 V1285 A1286T1280-V1283 PolarHBondContact O-N 3.43Å; H1281-V1283 VanDerWaalsContact C-N 3.32Å; H1281-V1283 PolarHBondContact O-N 3.17Å; V1283-V1285 VanDerWaalsContact C-N 3.35Å; V1283-V1285 PolarHBondContact O-N 3.48Å; V1283-A1286 PolarHBondContact O-N 3.44Å
1284I73.8Confident72.6Confident102 Ų102101 Ų10152%0.52357%0.57SS.*Hα-helixtrans-65.5-38-175.4-61.7171.4000111.5H1281 I1282 A1286 A1287H1281-I1284 PolarHBondContact O-N 3.2Å; I1282-I1284 PolarHBondContact O-N 3.43Å; I1284-A1286 VanDerWaalsContact C-N 3.34Å; I1284-A1286 PolarHBondContact O-N 3.41Å; I1284-A1287 PolarHBondContact O-N 3.4Å
1285V78.3Confident73.3Confident98 Ų98104.5 Ų104.559%0.59459%0.59SS**Hα-helixtrans-66.5-36.2-176.9-178.80000111.8V1283V1283-V1285 VanDerWaalsContact C-N 3.35Å; V1283-V1285 PolarHBondContact O-N 3.48Å
1286A79.3Confident73.9Confident62 Ų62103.3 Ų103.351%0.51259%0.589SS.*Hα-helixtrans-66.4-39.9-179.400000112.7V1283 I1284 L1288 L1289V1283-A1286 PolarHBondContact O-N 3.44Å; I1284-A1286 VanDerWaalsContact C-N 3.34Å; I1284-A1286 PolarHBondContact O-N 3.41Å; A1286-L1288 PolarHBondContact O-N 3.39Å; A1286-L1289 PolarHBondContact O-N 3.4Å
1287A79.4Confident74.9Confident60 Ų60102.8 Ų102.850%0.49659%0.592SS.*Hα-helixtrans-64.3-36.7-175.800000113.3I1284 L1289 C1290I1284-A1287 PolarHBondContact O-N 3.4Å; A1287-L1289 VanDerWaalsContact C-N 3.32Å; A1287-L1289 PolarHBondContact O-N 3.45Å; A1287-C1290 PolarHBondContact O-N 3.47Å
1288L83.7Confident76Confident115 Ų115100.3 Ų100.360%0.60259%0.585SS**Hα-helixtrans-65.5-32.1-178.5-76164.6000113.1A1286A1286-L1288 PolarHBondContact O-N 3.39Å
1289L84.1Confident77.2Confident122 Ų12296.8 Ų96.864%0.63957%0.573SS**Hα-helixtrans-70.4-31.4-179.7-74.4167.4000113A1286 A1287 T1292A1286-L1289 PolarHBondContact O-N 3.4Å; A1287-L1289 VanDerWaalsContact C-N 3.32Å; A1287-L1289 PolarHBondContact O-N 3.45Å; L1289-T1292 PolarHBondContact O-OG1 3.41Å
1290C82.7Confident78.3Confident90 Ų9099.2 Ų99.261%0.60858%0.578SS**Hα-helixtrans-68.7-34.5178-68.50000112.7A1287A1287-C1290 PolarHBondContact O-N 3.47Å
1291I82.5Confident79.5Confident109 Ų109101.2 Ų101.256%0.55958%0.578SS**Hα-helixtrans-68.2-42.2-173.8-62.1171.6000111.5L1293 V1294I1291-L1293 VanDerWaalsContact C-N 3.3Å; I1291-L1293 PolarHBondContact O-N 3.48Å; I1291-V1294 PolarHBondContact O-N 3.38Å
1292T82.2Confident80.4Confident94 Ų9498.8 Ų98.858%0.57757%0.573SS**Hα-helixtrans-65.8-33.7-176.958.10000112.5L1289 V1295 S1296L1289-T1292 PolarHBondContact O-OG1 3.41Å; T1292-V1295 PolarHBondContact O-N 3.42Å; T1292-S1296 PolarHBondContact O-N 3.48Å
1293L83.7Confident80.9Confident107 Ų107100 Ų10056%0.5657%0.571SS**Hα-helixtrans-65.5-44.2-178.3-148.9165.6000111.3I1291 V1295 S1296 L1297I1291-L1293 VanDerWaalsContact C-N 3.3Å; I1291-L1293 PolarHBondContact O-N 3.48Å; L1293-V1295 PolarHBondContact O-N 3.41Å; L1293-S1296 PolarHBondContact O-N 3.4Å; L1293-S1296 PolarHBondContact O-OG 3.42Å; L1293-L1297 HydrophobicContact CD2-CD1 4.06Å
1294V84.6Confident81.1Confident102 Ų102100 Ų10062%0.61857%0.566SS**Hα-helixtrans-60.8-41.5179.2178.80000112I1291 S1296 L1297I1291-V1294 PolarHBondContact O-N 3.38Å; V1294-S1296 VanDerWaalsContact C-N 3.32Å; V1294-S1296 PolarHBondContact O-N 3.18Å; V1294-L1297 PolarHBondContact O-N 3.25Å
1295V84Confident81.3Confident96 Ų9699.3 Ų99.358%0.58256%0.563SS**Hα-helixtrans-63.7-36.7179.9178.70000111.7T1292 L1293 L1297 S1298T1292-V1295 PolarHBondContact O-N 3.42Å; L1293-V1295 PolarHBondContact O-N 3.41Å; V1295-L1297 VanDerWaalsContact C-N 3.35Å; V1295-L1297 PolarHBondContact O-N 3.36Å; V1295-S1298 PolarHBondContact O-OG 3.42Å
1296S82Confident81.2Confident62 Ų6298.4 Ų98.443%0.43456%0.56SS.*Hα-helixtrans-61.1-42.4179.974.70000112.8T1292 L1293 V1294 S1298 S1299T1292-S1296 PolarHBondContact O-N 3.48Å; L1293-S1296 PolarHBondContact O-N 3.4Å; L1293-S1296 PolarHBondContact O-OG 3.42Å; V1294-S1296 VanDerWaalsContact C-N 3.32Å; V1294-S1296 PolarHBondContact O-N 3.18Å; S1296-S1298 PolarHBondContact O-N 2.7Å; S1296-S1299 PolarHBondContact O-N 2.97Å; S1296-S1299 PolarHBondContact O-OG 3.48Å
1297L81.8Confident81Confident117 Ų117102.2 Ų102.261%0.61357%0.565SS**Hα-helixtrans-67.5-37.2-174.8-70.9165000112.6L1293 V1294 V1295 S1299 M1300L1293-L1297 HydrophobicContact CD2-CD1 4.06Å; V1294-L1297 PolarHBondContact O-N 3.25Å; V1295-L1297 VanDerWaalsContact C-N 3.35Å; V1295-L1297 PolarHBondContact O-N 3.36Å; L1297-S1299 VanDerWaalsContact C-N 3.32Å; L1297-S1299 PolarHBondContact O-N 3.42Å; L1297-M1300 PolarHBondContact O-N 3.46Å
1298S80.5Confident80.7Confident73 Ų73106.5 Ų106.551%0.5157%0.574SS.*Hα-helixtrans-65-35.4-18068.10000112.5V1295 S1296 F1301 V1302V1295-S1298 PolarHBondContact O-OG 3.42Å; S1296-S1298 PolarHBondContact O-N 2.7Å; S1298-F1301 PolarHBondContact O-N 2.76Å; S1298-V1302 PolarHBondContact O-N 3.4Å
1299S80.5Confident80.1Confident74 Ų74107.2 Ų107.252%0.51758%0.578SS.*Hα-helixtrans-65.6-39.1179.974.70000113.3S1296 L1297 F1301 V1302 Y1303S1296-S1299 PolarHBondContact O-N 2.97Å; S1296-S1299 PolarHBondContact O-OG 3.48Å; L1297-S1299 VanDerWaalsContact C-N 3.32Å; L1297-S1299 PolarHBondContact O-N 3.42Å; S1299-F1301 VanDerWaalsContact C-N 3.33Å; S1299-F1301 PolarHBondContact O-N 3.45Å; S1299-V1302 PolarHBondContact O-N 3.23Å; S1299-Y1303 PolarHBondContact O-N 3.46Å
1300M80.5Confident79.2Confident126 Ų126110.5 Ų110.562%0.62159%0.587SS**Hα-helixtrans-64-37.5177.1-89-71.6-176.800112.4L1297 Y1303 L1304L1297-M1300 PolarHBondContact O-N 3.46Å; M1300-Y1303 PolarHBondContact O-N 3.37Å; M1300-L1304 PolarHBondContact O-N 3.12Å
1301F80.8Confident78.2Confident144 Ų144114.3 Ų114.363%0.63259%0.593SS**Hα-helixtrans-64.8-44.1180-166.4-104.9000111.8S1298 S1299 Y1303 L1304 I1305S1298-F1301 PolarHBondContact O-N 2.76Å; S1299-F1301 VanDerWaalsContact C-N 3.33Å; S1299-F1301 PolarHBondContact O-N 3.45Å; F1301-Y1303 PolarHBondContact O-N 3.34Å; F1301-L1304 PolarHBondContact O-N 3.47Å; F1301-I1305 HydrophobicContact CD1-CD1 3.9Å; F1301-I1305 HydrophobicContact CE1-CD1 3.75Å; F1301-I1305 HydrophobicContact CZ-CD1 4.5Å; F1301-I1305 PolarHBondContact O-N 3.39Å
1302V80.6Confident77Confident88 Ų88115.7 Ų115.753%0.53360%0.602SS.*Hα-helixtrans-62.7-41.8176.5178.50000111.6S1298 S1299 L1304 I1305 C1306S1298-V1302 PolarHBondContact O-N 3.4Å; S1299-V1302 PolarHBondContact O-N 3.23Å; V1302-L1304 VanDerWaalsContact C-N 3.34Å; V1302-L1304 PolarHBondContact O-N 3.4Å; V1302-I1305 PolarHBondContact O-N 3.16Å; V1302-C1306 PolarHBondContact O-N 3.3Å; V1302-C1306 VanDerWaalsContact O-N 3.16Å
1303Y79.6Confident75.4Confident151 Ų151121.8 Ų121.859%0.59262%0.616SS**Hα-helixtrans-61-40179179.4-106.4000112.9S1299 M1300 F1301 C1306 K1307S1299-Y1303 PolarHBondContact O-N 3.46Å; M1300-Y1303 PolarHBondContact O-N 3.37Å; F1301-Y1303 PolarHBondContact O-N 3.34Å; Y1303-C1306 PolarHBondContact O-N 3.22Å; Y1303-K1307 PolarHBondContact O-N 3.31Å; Y1303-K1307 VanDerWaalsContact O-N 3.12Å
1304L78.9Confident73.5Confident108 Ų108127.4 Ų127.457%0.56564%0.644SS**Hα-helixtrans-64.7-41.3177.5-73.4167000112.4M1300 F1301 V1302 K1307 H1308M1300-L1304 PolarHBondContact O-N 3.12Å; F1301-L1304 PolarHBondContact O-N 3.47Å; V1302-L1304 VanDerWaalsContact C-N 3.34Å; V1302-L1304 PolarHBondContact O-N 3.4Å; L1304-K1307 PolarHBondContact O-N 3.49Å; L1304-H1308 PolarHBondContact O-N 3.17Å; L1304-H1308 VanDerWaalsContact O-N 3.17Å
1305I78.3Confident73Confident88 Ų88128.7 Ų128.745%0.45165%0.645SS.*Hα-helixtrans-61.4-49.5177-65.5167.8000110.5F1301 V1302 K1307 H1308 L1309F1301-I1305 HydrophobicContact CD1-CD1 3.9Å; F1301-I1305 HydrophobicContact CE1-CD1 3.75Å; F1301-I1305 HydrophobicContact CZ-CD1 4.5Å; F1301-I1305 PolarHBondContact O-N 3.39Å; V1302-I1305 PolarHBondContact O-N 3.16Å; I1305-K1307 PolarHBondContact O-N 3.1Å; I1305-H1308 PolarHBondContact O-N 3.27Å; I1305-H1308 VanDerWaalsContact O-N 3.1Å; I1305-L1309 HydrophobicContact CG2-CD1 4.37Å; I1305-L1309 PolarHBondContact O-N 3.29Å
1306C75.1Confident72.4Confident79 Ų79130.4 Ų130.453%0.53465%0.648SS.*Hα-helixtrans-59.4-34.4178-70.40000112.9V1302 Y1303V1302-C1306 PolarHBondContact O-N 3.3Å; V1302-C1306 VanDerWaalsContact O-N 3.16Å; Y1303-C1306 PolarHBondContact O-N 3.22Å
1307K76.5Confident71.8Confident142 Ų142134.2 Ų134.262%0.61766%0.66SS**Hα-helixtrans-70.1-33.6176.8-168.4175.1-178.5-179.40112.6Y1303 L1304 I1305Y1303-K1307 PolarHBondContact O-N 3.31Å; Y1303-K1307 VanDerWaalsContact O-N 3.12Å; L1304-K1307 PolarHBondContact O-N 3.49Å; I1305-K1307 PolarHBondContact O-N 3.1Å
1308H71.7Confident71.3Confident150 Ų150135.2 Ų135.269%0.69466%0.663SS**Hα-helixtrans-76-32-177.2-152.3-49.1000113.2L1304 I1305 K1310L1304-H1308 PolarHBondContact O-N 3.17Å; L1304-H1308 VanDerWaalsContact O-N 3.17Å; I1305-H1308 PolarHBondContact O-N 3.27Å; I1305-H1308 VanDerWaalsContact O-N 3.1Å; H1308-K1310 VanDerWaalsContact C-N 3.32Å; H1308-K1310 PolarHBondContact O-N 3.09Å
1309L71.7Confident70.7Confident129 Ų129139.1 Ų139.168%0.67567%0.673SS**Hα-helixtrans-67.2-30.2177.5-72.1166.3000113.1I1305 K1311I1305-L1309 HydrophobicContact CG2-CD1 4.37Å; I1305-L1309 PolarHBondContact O-N 3.29Å; L1309-K1311 PolarHBondContact O-N 3.46Å; L1309-K1311 VanDerWaalsContact O-N 3.09Å
1310K65.4Low70Confident191 Ų191143.4 Ų143.483%0.8368%0.683SS**THydrogen-bonded Turntrans-76.36.8-172.2-145.8177.4-175.3179.50115H1308H1308-K1310 VanDerWaalsContact C-N 3.32Å; H1308-K1310 PolarHBondContact O-N 3.09Å
1311K61.8Low69.3Low171 Ų171144.6 Ų144.674%0.74369%0.687SS**THydrogen-bonded Turntrans-107.2-3.2-174.3-145.8-172.9178.1-169.80115.1L1309L1309-K1311 PolarHBondContact O-N 3.46Å; L1309-K1311 VanDerWaalsContact O-N 3.09Å
1312N57.7Low68.4Low137 Ų137144.7 Ų144.773%0.73369%0.692SS**SBendtrans-110.819-176.8-70.916.2000113.6
1313Y48.6Very low67.4Low223 Ų223149.4 Ų149.488%0.87571%0.705SS**  trans-141.438.8-178.8-101.3-77.3000113
1314I43.3Very low66.3Low224 Ų224149.3 Ų149.3100%1.14972%0.715SS**  trans-1400156-53.7-179000106

Retrieved 1,314 of 1,314 residues in 304.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).