A0A3Q0KNS8_SCHMA Loading...

Putative thioredoxin-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KNS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 404 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.5Very low44.3Very low213 Ų213163.4 Ų163.4100%1.04983%0.825SS**  0108.90-85.9169.670.200106.3
2F43.9Very low44.1Very low182 Ų182162.3 Ų162.380%0.79882%0.821SS**  cis-144.1138.121.7-83.4-98.4000108.1W4F2-W4 PolarHBondContact O-N 2.9Å
3L40.8Very low44Very low169 Ų169161.7 Ų161.789%0.88582%0.821SS**  trans-70.9121.3167.6-78.794.4000108.1
4W44.4Very low44.3Very low259 Ų259157.6 Ų157.698%0.98181%0.814SS**  trans-85.2113.6176.4-146.7-1.8000108.6F2 C6F2-W4 PolarHBondContact O-N 2.9Å; W4-C6 PolarHBondContact O-N 3.31Å
5W43.1Very low43.9Very low235 Ų235157.3 Ų157.389%0.8982%0.815SS**  trans-60.2128.1-179.6-83-16.6000112.5V7W5-V7 PolarHBondContact O-N 3.28Å
6C48.6Very low43.7Very low121 Ų121152.6 Ų152.682%0.81881%0.806SS**  trans-60.2112.9160.4-80.80000109.4W4 V8W4-C6 PolarHBondContact O-N 3.31Å; C6-V8 PolarHBondContact O-N 3.22Å; C6-V8 VanDerWaalsContact O-N 3.1Å
7V42.5Very low43.6Very low134 Ų134149 Ų14981%0.81279%0.793SS**  trans-71.598.8167.9-177.40000107.4W5W5-V7 PolarHBondContact O-N 3.28Å
8V47.5Very low43.3Very low116 Ų116148.4 Ų148.470%0.70379%0.791SS**  trans-80.2119.7164.11790000106.7C6 I10C6-V8 PolarHBondContact O-N 3.22Å; C6-V8 VanDerWaalsContact O-N 3.1Å; V8-I10 PolarHBondContact O-N 3.32Å; V8-I10 VanDerWaalsContact O-N 3.1Å
9P42.2Very low43.4Very low101 Ų101151.1 Ų151.166%0.65679%0.79SS**  trans-70.1111.7178.427.7-30.5000108.6V11P9-V11 PolarHBondContact O-N 2.78Å
10I46.7Very low43.4Very low148 Ų148149.1 Ų149.176%0.75979%0.788SS**  trans-67.292.7164.5-62.5171.8000105.7V8 L12V8-I10 PolarHBondContact O-N 3.32Å; V8-I10 VanDerWaalsContact O-N 3.1Å; I10-L12 HydrophobicContact CG2-CD2 4.42Å; I10-L12 HydrophobicContact CG2-CG 4.21Å; I10-L12 PolarHBondContact O-N 3.38Å
11V45.1Very low43.6Very low119 Ų119145.3 Ų145.372%0.72178%0.778SS**  trans-67.194.1162.1178.90000105.2P9 L13P9-V11 PolarHBondContact O-N 2.78Å; V11-L13 VanDerWaalsContact C-N 3.29Å; V11-L13 PolarHBondContact O-N 2.78Å
12L41.6Very low44.3Very low150 Ų150136 Ų13679%0.78573%0.734SS**  trans-56.599.8164.3-76.9161.6000106.3I10 S14I10-L12 HydrophobicContact CG2-CD2 4.42Å; I10-L12 HydrophobicContact CG2-CG 4.21Å; I10-L12 PolarHBondContact O-N 3.38Å; L12-S14 PolarHBondContact O-N 2.89Å
13L43.5Very low46Very low155 Ų155131.8 Ų131.881%0.81272%0.723SS**  trans-59.889.8160.7-79.3158.2000105.8V11 N15V11-L13 VanDerWaalsContact C-N 3.29Å; V11-L13 PolarHBondContact O-N 2.78Å; L13-N15 VanDerWaalsContact C-N 3.34Å; L13-N15 PolarHBondContact O-N 2.84Å
14S47.4Very low48.6Very low104 Ų104124.3 Ų124.373%0.72768%0.684SS**  trans-60.4104.8163.556.30000105.6L12 A16L12-S14 PolarHBondContact O-N 2.89Å; S14-A16 PolarHBondContact O-N 3.29Å
15N39.1Very low51Low154 Ų154114.3 Ų114.382%0.82465%0.65SS**  trans-58.188162.7-68.7-27.7000106.8L13 P17L13-N15 VanDerWaalsContact C-N 3.34Å; L13-N15 PolarHBondContact O-N 2.84Å; N15-P17 WeakPolarHBondContact O-CD 3.31Å
16A40.7Very low53.5Low82 Ų82108.1 Ų108.168%0.67864%0.638SS**  trans-63.3121.3157.500000104.7S14 D18S14-A16 PolarHBondContact O-N 3.29Å; A16-D18 PolarHBondContact O-N 3.13Å; A16-D18 VanDerWaalsContact O-N 3.1Å
17P42Very low55.9Low91 Ų91102.4 Ų102.459%0.59160%0.599SS**  trans-56.1123.9178.120.7-30.4000108.4N15 Y19N15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-Y19 HydrophobicContact CB-CD2 3.85Å; P17-Y19 HydrophobicContact CB-CE2 3.68Å; P17-Y19 HydrophobicContact CG-CD2 3.82Å; P17-Y19 HydrophobicContact CG-CE2 3.51Å; P17-Y19 WeakPolarHBondContact O-CD2 3.47Å; P17-Y19 PolarHBondContact O-N 2.84Å
18D37.5Very low58.5Low139 Ų13998.6 Ų98.674%0.74357%0.574SS**  trans-67.378.8177.7-166.814.4000108.9A16 C20A16-D18 PolarHBondContact O-N 3.13Å; A16-D18 VanDerWaalsContact O-N 3.1Å; D18-C20 PolarHBondContact O-N 3.13Å; D18-C20 WeakPolarHBondContact OD1-CB 3.39Å; D18-C20 PolarHBondContact OD1-SG 2.99Å
19Y44.7Very low60.7Low198 Ų19896.5 Ų96.578%0.77656%0.559SS**  trans-78.957.8170.9-79.1-83.7000109.6P17P17-Y19 HydrophobicContact CB-CD2 3.85Å; P17-Y19 HydrophobicContact CB-CE2 3.68Å; P17-Y19 HydrophobicContact CG-CD2 3.82Å; P17-Y19 HydrophobicContact CG-CE2 3.51Å; P17-Y19 WeakPolarHBondContact O-CD2 3.47Å; P17-Y19 PolarHBondContact O-N 2.84Å
20C43.5Very low63.3Low111 Ų11197.6 Ų97.675%0.7556%0.564SS**  trans-101.812.3171.1-71.50000113.2D18D18-C20 PolarHBondContact O-N 3.13Å; D18-C20 WeakPolarHBondContact OD1-CB 3.39Å; D18-C20 PolarHBondContact OD1-SG 2.99Å
21A49.2Very low65.7Low70 Ų7092.9 Ų92.958%0.57954%0.54SS*.SBendtrans-98.4119.7162.800000108.1V23A21-V23 PolarHBondContact O-N 2.83Å
22S56.7Low68.2Low19 Ų1987.4 Ų87.413%0.13351%0.507CS..PPolyproline II helixtrans-66.7121.3168.174.40000107.5S65 E66 T69S22-S65 PolarHBondContact OG-OG 3.29Å; S22-E66 WeakPolarHBondContact OG-CA 3.4Å; S22-E66 WeakPolarHBondContact OG-CG 3.1Å; S22-E66 PolarHBondContact OG-N 3.23Å; S22-E66 VanDerWaalsContact OG-N 3.09Å; S22-T69 VanDerWaalsContact CB-OG1 3.24Å; S22-T69 WeakPolarHBondContact CB-OG1 3.46Å
23V79.7Confident70.7Confident92 Ų9284.8 Ų84.856%0.55849%0.493SS*.PPolyproline II helixtrans-101.1124.3174.9175.50000106.2A21 L25A21-V23 PolarHBondContact O-N 2.83Å; V23-L25 PolarHBondContact O-N 3.17Å
24V94.3Very high73.2Confident12 Ų1283.1 Ų83.17%0.07349%0.485CS..  trans-54.4115.2163.7174.60000107Y61 E62 F79V24-Y61 HydrophobicContact CG1-CD1 3.95Å; V24-Y61 HydrophobicContact CG1-CE1 3.85Å; V24-Y61 HydrophobicContact CG2-CD1 3.99Å; V24-Y61 HydrophobicContact CG2-CE1 4.44Å; V24-E62 HydrophobicContact CG2-CB 4.46Å; V24-F79 CarbonylContact C-O 3.51Å; V24-F79 HydrophobicContact CG2-CB 4.35Å
25L95.6Very high75.5Confident49 Ų4979.2 Ų79.226%0.25746%0.456SS..EExtended strand (participates in β ladder)trans-71.9144.6-174.4-55.2175.6000109.3V23 L35 Y39 A78 F79 I80 S81V23-L25 PolarHBondContact O-N 3.17Å; L25-L35 HydrophobicContact CB-CD2 4.11Å; L25-L35 HydrophobicContact CD1-CD1 4.03Å; L25-Y39 HydrophobicContact CD1-CE2 3.93Å; L25-Y39 WeakPolarHBondContact CD1-OH 3.49Å; L25-A78 HydrophobicContact CD1-CB 4.1Å; L25-F79 PolarHBondContact N-O 3.31Å; L25-I80 HydrophobicContact CB-CG1 4.26Å; L25-I80 CarbonylContact O-C 3.5Å; L25-I80 VanDerWaalsContact O-CA 3.25Å; L25-I80 WeakPolarHBondContact O-CA 3.37Å; L25-S81 PolarHBondContact O-N 2.86Å
26V96.3Very high78.2Confident106 Ų10672.1 Ų72.164%0.64242%0.418SS*.EExtended strand (participates in β ladder)trans-100.3124.7177-178.40000109.2N31V26-N31 PolarHBondContact O-ND2 2.85Å
27A97.3Very high80.8Confident0 Ų071.5 Ų71.50%041%0.409CS..  trans-109.1149.8171.400000111.6N31 F32 L35 I80 S81 I82A27-N31 VanDerWaalsContact CA-OD1 3.22Å; A27-N31 WeakPolarHBondContact CA-OD1 3.29Å; A27-F32 HydrophobicContact CB-CB 4.32Å; A27-F32 HydrophobicContact CB-CD2 3.84Å; A27-L35 HydrophobicContact CB-CD2 3.93Å; A27-I80 HydrophobicContact CB-CG2 3.53Å; A27-S81 PolarHBondContact N-O 3.14Å; A27-I82 HydrophobicContact CB-CG1 4.02Å
28N96.9Very high83.2Confident55 Ų5573.3 Ų73.329%0.29441%0.409SS..  trans-138.2177.3178.762.846000110.6T30 N31 F32 N87N28-T30 PolarHBondContact O-N 3.15Å; N28-T30 WeakPolarHBondContact OD1-CA 3.45Å; N28-T30 PolarHBondContact OD1-N 2.71Å; N28-T30 PolarHBondContact OD1-OG1 3.44Å; N28-N31 PolarHBondContact N-OD1 3.33Å; N28-N31 PolarHBondContact O-N 3.33Å; N28-N31 PolarHBondContact O-OD1 3.29Å; N28-N31 PolarHBondContact OD1-N 2.91Å; N28-N31 VanDerWaalsContact OD1-N 3.12Å; N28-N31 PolarHBondContact OD1-OD1 3.07Å; N28-F32 VanDerWaalsContact O-CB 3.28Å; N28-F32 WeakPolarHBondContact O-CB 3.38Å; N28-F32 PolarHBondContact O-N 3.47Å; N28-F32 VanDerWaalsContact O-N 3.15Å; N28-N87 WeakPolarHBondContact CA-OD1 3.37Å; N28-N87 WeakPolarHBondContact CB-OD1 3.14Å
29D95.1Very high85.9Confident71 Ų7168.9 Ų68.938%0.3838%0.382SS..THydrogen-bonded Turntrans-51-26.9-179.7-75-49.8000114.5N87 L90D29-N87 PolarHBondContact N-OD1 3.06Å; D29-L90 WeakPolarHBondContact OD1-CA 3.4Å; D29-L90 WeakPolarHBondContact OD1-CB 3.41Å; D29-L90 PolarHBondContact OD1-N 3.06Å
30T95.9Very high88.2Confident124 Ų12461.5 Ų61.576%0.76136%0.356SS*.THydrogen-bonded Turntrans-95.3-32.2-173.669.30000114.2N28N28-T30 PolarHBondContact O-N 3.15Å; N28-T30 WeakPolarHBondContact OD1-CA 3.45Å; N28-T30 PolarHBondContact OD1-N 2.71Å; N28-T30 PolarHBondContact OD1-OG1 3.44Å
31N96.6Very high90.6Very high50 Ų5056.4 Ų56.427%0.26732%0.322SS..THydrogen-bonded Turntrans-106.8-11.8-172.475-2.8000113.8V26 A27 N28 D33 L34 L35V26-N31 PolarHBondContact O-ND2 2.85Å; A27-N31 VanDerWaalsContact CA-OD1 3.22Å; A27-N31 WeakPolarHBondContact CA-OD1 3.29Å; N28-N31 PolarHBondContact N-OD1 3.33Å; N28-N31 PolarHBondContact O-N 3.33Å; N28-N31 PolarHBondContact O-OD1 3.29Å; N28-N31 PolarHBondContact OD1-N 2.91Å; N28-N31 VanDerWaalsContact OD1-N 3.12Å; N28-N31 PolarHBondContact OD1-OD1 3.07Å; N31-D33 PolarHBondContact O-N 3.11Å; N31-L34 PolarHBondContact O-N 2.98Å; N31-L35 WeakPolarHBondContact O-CB 3.36Å; N31-L35 PolarHBondContact O-N 3.41Å
32F97.8Very high92.8Very high4 Ų453.1 Ų53.12%0.01829%0.294CS..Hα-helixtrans-56.1-53.6-167.7176.6-96.2000113.5A27 N28 L34 L35 I36 L44 F46 I82 L90 Q94 I110A27-F32 HydrophobicContact CB-CB 4.32Å; A27-F32 HydrophobicContact CB-CD2 3.84Å; N28-F32 VanDerWaalsContact O-CB 3.28Å; N28-F32 WeakPolarHBondContact O-CB 3.38Å; N28-F32 PolarHBondContact O-N 3.47Å; N28-F32 VanDerWaalsContact O-N 3.15Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.37Å; F32-L35 PolarHBondContact O-N 3.06Å; F32-I36 HydrophobicContact CD1-CD1 4.42Å; F32-I36 HydrophobicContact CD2-CG2 4.36Å; F32-I36 HydrophobicContact CE1-CD1 3.87Å; F32-I36 HydrophobicContact CE2-CG2 4.07Å; F32-I36 HydrophobicContact CZ-CD1 4.22Å; F32-I36 HydrophobicContact CZ-CG2 4.19Å; F32-I36 PolarHBondContact O-N 3.37Å; F32-L44 HydrophobicContact CE2-CD1 3.86Å; F32-L44 HydrophobicContact CE2-CD2 4.4Å; F32-L44 HydrophobicContact CZ-CD1 3.7Å; F32-F46 HydrophobicContact CE2-CZ 4.18Å; F32-F46 HydrophobicContact CZ-CZ 4.23Å; F32-I82 HydrophobicContact CD2-CG1 4.28Å; F32-I82 HydrophobicContact CE2-CD1 4.17Å; F32-I82 HydrophobicContact CE2-CG1 4.29Å; F32-L90 HydrophobicContact CB-CD1 4.08Å; F32-L90 HydrophobicContact CB-CD2 3.81Å; F32-L90 HydrophobicContact CD1-CD1 3.42Å; F32-L90 VanDerWaalsContact CD1-CD1 3.42Å; F32-L90 HydrophobicContact CD1-CD2 4.48Å; F32-L90 HydrophobicContact CD2-CD1 3.95Å; F32-L90 HydrophobicContact CD2-CD2 3.65Å; F32-L90 HydrophobicContact CD2-CG 4.38Å; F32-L90 HydrophobicContact CE1-CD1 3.71Å; F32-L90 HydrophobicContact CE2-CD1 4.22Å; F32-L90 HydrophobicContact CE2-CD2 4.33Å; F32-L90 HydrophobicContact CG-CD1 3.55Å; F32-L90 HydrophobicContact CG-CD2 3.74Å; F32-L90 HydrophobicContact CG-CG 4.3Å; F32-L90 HydrophobicContact CZ-CD1 4.1Å; F32-Q94 HydrophobicContact CZ-CG 4.42Å; F32-I110 HydrophobicContact CE1-CD1 3.76Å; F32-I110 HydrophobicContact CZ-CD1 3.69Å
33D95.8Very high94.7Very high94 Ų9452.2 Ų52.250%0.50329%0.288SS..Hα-helixtrans-63.5-38.5-176-71.4-29.6000111.4N31 S37 K93N31-D33 PolarHBondContact O-N 3.11Å; D33-S37 WeakPolarHBondContact O-CB 2.87Å; D33-S37 PolarHBondContact O-N 3.3Å; D33-K93 IonicContact OD1-NZ 3.57Å; D33-K93 IonicContact OD2-NZ 3.81Å; D33-K93 PolarHBondContact OD2-NZ 3.29Å
34L96.1Very high95.6Very high120 Ų12047.8 Ų47.863%0.62826%0.262SS*.Hα-helixtrans-67.8-44.2175.2-73.1176.6000111.3N31 F32 S37 Q38N31-L34 PolarHBondContact O-N 2.98Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.37Å; L34-S37 PolarHBondContact O-N 3.03Å; L34-S37 PolarHBondContact O-OG 2.98Å; L34-Q38 WeakPolarHBondContact O-CG 3.42Å
35L95.5Very high95.8Very high23 Ų2348 Ų4812%0.1226%0.261CS..Hα-helixtrans-63.7-49.6-175.7-172.965000111.9L25 A27 N31 F32 S37 Q38 Y39 I80L25-L35 HydrophobicContact CB-CD2 4.11Å; L25-L35 HydrophobicContact CD1-CD1 4.03Å; A27-L35 HydrophobicContact CB-CD2 3.93Å; N31-L35 WeakPolarHBondContact O-CB 3.36Å; N31-L35 PolarHBondContact O-N 3.41Å; F32-L35 PolarHBondContact O-N 3.06Å; L35-S37 PolarHBondContact O-N 3.07Å; L35-Q38 PolarHBondContact O-N 3.35Å; L35-Y39 HydrophobicContact CD1-CE2 4.26Å; L35-Y39 WeakPolarHBondContact O-CD2 3.43Å; L35-I80 HydrophobicContact CD2-CD1 3.89Å; L35-I80 HydrophobicContact CD2-CG1 4.19Å; L35-I80 HydrophobicContact CD2-CG2 3.96Å; L35-I80 HydrophobicContact CG-CD1 3.96Å
36I95.6Very high95.9Very high4 Ų445.7 Ų45.72%0.02125%0.249CC..Hα-helixtrans-66.1-24.6-178.667.2172.9000112.6F32 Q38 L44 I80 T105 G108 I110F32-I36 HydrophobicContact CD1-CD1 4.42Å; F32-I36 HydrophobicContact CD2-CG2 4.36Å; F32-I36 HydrophobicContact CE1-CD1 3.87Å; F32-I36 HydrophobicContact CE2-CG2 4.07Å; F32-I36 HydrophobicContact CZ-CD1 4.22Å; F32-I36 HydrophobicContact CZ-CG2 4.19Å; F32-I36 PolarHBondContact O-N 3.37Å; I36-Q38 VanDerWaalsContact C-N 3.27Å; I36-Q38 PolarHBondContact O-N 3.25Å; I36-L44 HydrophobicContact CG2-CD2 3.81Å; I36-I80 HydrophobicContact CG2-CD1 3.91Å; I36-T105 HydrophobicContact CB-CG2 4.21Å; I36-T105 HydrophobicContact CD1-CG2 4.24Å; I36-T105 HydrophobicContact CG2-CG2 4.22Å; I36-G108 WeakPolarHBondContact CD1-O 3.49Å; I36-G108 WeakPolarHBondContact O-CA 3.5Å; I36-G108 PolarHBondContact O-N 3.37Å; I36-I110 HydrophobicContact CD1-CD1 4.29Å; I36-I110 HydrophobicContact CD1-CG1 4.14Å
37S93.9Very high96Very high70 Ų7041.2 Ų41.249%0.4922%0.223SC..Hα-helixtrans-73.3-17.6179.977.50000114D33 L34 L35 Y39D33-S37 WeakPolarHBondContact O-CB 2.87Å; D33-S37 PolarHBondContact O-N 3.3Å; L34-S37 PolarHBondContact O-N 3.03Å; L34-S37 PolarHBondContact O-OG 2.98Å; L35-S37 PolarHBondContact O-N 3.07Å; S37-Y39 VanDerWaalsContact C-N 3.32Å
38Q93.6Very high95.9Very high129 Ų12941.3 Ų41.360%0.60322%0.224SC*.THydrogen-bonded Turntrans-81-11.5-177.2-67172.612.300113.6L34 L35 I36L34-Q38 WeakPolarHBondContact O-CG 3.42Å; L35-Q38 PolarHBondContact O-N 3.35Å; I36-Q38 VanDerWaalsContact C-N 3.27Å; I36-Q38 PolarHBondContact O-N 3.25Å
39Y93.3Very high95.7Very high45 Ų4545.7 Ų45.718%0.17624%0.242CC..  trans-119.7143.6-173.1-62.7-85.4000111.4L25 L35 S37 V41 R75 A78L25-Y39 HydrophobicContact CD1-CE2 3.93Å; L25-Y39 WeakPolarHBondContact CD1-OH 3.49Å; L35-Y39 HydrophobicContact CD1-CE2 4.26Å; L35-Y39 WeakPolarHBondContact O-CD2 3.43Å; S37-Y39 VanDerWaalsContact C-N 3.32Å; Y39-V41 VanDerWaalsContact C-N 3.31Å; Y39-R75 WeakPolarHBondContact CD1-O 3.4Å; Y39-R75 WeakPolarHBondContact CE1-O 3.43Å; Y39-A78 HydrophobicContact CD1-CB 3.64Å; Y39-A78 HydrophobicContact CD2-CB 3.67Å; Y39-A78 HydrophobicContact CE1-CB 3.75Å; Y39-A78 HydrophobicContact CE2-CB 3.79Å; Y39-A78 HydrophobicContact CG-CB 3.61Å
40D92.7Very high95.6Very high43 Ų4347.3 Ų47.323%0.2324%0.243CC..SBendtrans-67.1-38.6174.7-69.2-12.4000110K76 K106 Y107D40-K76 HydrophobicContact CB-CB 4.12Å; D40-K76 PolarHBondContact N-O 3.12Å; D40-K76 WeakPolarHBondContact OD2-CD 3.33Å; D40-K76 WeakPolarHBondContact OD2-CE 3.31Å; D40-K76 WeakPolarHBondContact OD2-CG 3.42Å; D40-K76 IonicContact OD2-NZ 3.07Å; D40-K76 PolarHBondContact OD2-NZ 2.95Å; D40-K106 CarbonylContact O-C 3.56Å; D40-K106 WeakPolarHBondContact O-CA 3.4Å; D40-Y107 HydrophobicContact CB-CD1 4.34Å; D40-Y107 HydrophobicContact CB-CE1 3.85Å; D40-Y107 PolarHBondContact O-N 3.29Å; D40-Y107 VanDerWaalsContact OD1-CE1 3.28Å; D40-Y107 WeakPolarHBondContact OD1-CE1 3.34Å
41V94.5Very high95.5Very high5 Ų541.4 Ų41.43%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-135.6133.4175.7-178.20000109.2Y39 K76 V77 A78 I104 T105 K106 I128 L132Y39-V41 VanDerWaalsContact C-N 3.31Å; V41-K76 PolarHBondContact N-O 2.98Å; V41-V77 HydrophobicContact CB-CG2 4.41Å; V41-V77 VanDerWaalsContact O-CA 3.23Å; V41-V77 WeakPolarHBondContact O-CA 3.44Å; V41-A78 PolarHBondContact O-N 3.34Å; V41-A78 VanDerWaalsContact O-N 3.09Å; V41-I104 HydrophobicContact CG1-CD1 3.81Å; V41-I104 HydrophobicContact CG1-CG1 3.98Å; V41-T105 CarbonylContact C-O 3.5Å; V41-T105 VanDerWaalsContact CA-O 3.28Å; V41-T105 WeakPolarHBondContact CA-O 3.31Å; V41-K106 HydrophobicContact CG2-CG 4.35Å; V41-I128 HydrophobicContact CG1-CD1 4.15Å; V41-L132 HydrophobicContact CG2-CD2 3.85Å
42A95.6Very high95.4Very high0 Ų046.1 Ų46.10%022%0.222CC..EExtended strand (participates in β ladder)trans-133.4137.2166.900000111L44 A78 I80 I104 T105A42-L44 HydrophobicContact CB-CD2 4.28Å; A42-A78 CarbonylContact C-O 3.58Å; A42-A78 VanDerWaalsContact CA-O 3.23Å; A42-A78 WeakPolarHBondContact CA-O 3.48Å; A42-A78 HydrophobicContact CB-CB 4.14Å; A42-I80 HydrophobicContact CB-CD1 3.82Å; A42-I80 HydrophobicContact CB-CG1 4.45Å; A42-I104 CarbonylContact O-C 3.56Å; A42-I104 WeakPolarHBondContact O-CA 3.37Å; A42-T105 VanDerWaalsContact CB-OG1 3.29Å; A42-T105 WeakPolarHBondContact CB-OG1 3.38Å; A42-T105 PolarHBondContact N-O 3.23Å; A42-T105 PolarHBondContact N-OG1 3.08Å; A42-T105 PolarHBondContact O-N 3.4Å
43L97.2Very high95.3Very high0 Ų048.7 Ų48.70%023%0.232CC..EExtended strand (participates in β ladder)trans-92.2131.6168.7-158.365.3000107.9Y61 A78 F79 I80 I102 I104 F124 F127 I128L43-Y61 HydrophobicContact CB-CE2 4.49Å; L43-Y61 WeakPolarHBondContact CB-OH 3.36Å; L43-Y61 HydrophobicContact CD2-CD2 4.49Å; L43-Y61 HydrophobicContact CD2-CE2 3.59Å; L43-Y61 HydrophobicContact CG-CE2 4Å; L43-Y61 PolarHBondContact O-OH 2.93Å; L43-A78 PolarHBondContact N-O 3.18Å; L43-F79 HydrophobicContact CB-CD1 4.4Å; L43-F79 HydrophobicContact CB-CE1 4.48Å; L43-F79 HydrophobicContact CD2-CD1 4.17Å; L43-F79 HydrophobicContact CD2-CE1 3.68Å; L43-F79 HydrophobicContact CD2-CZ 4.19Å; L43-I80 PolarHBondContact O-N 2.77Å; L43-I102 HydrophobicContact CD1-CG2 3.58Å; L43-I102 HydrophobicContact CD2-CG2 4.07Å; L43-I102 HydrophobicContact CG-CG2 3.64Å; L43-I104 HydrophobicContact CD1-CB 4.34Å; L43-F124 HydrophobicContact CD2-CD1 3.54Å; L43-F124 HydrophobicContact CD2-CE1 3.84Å; L43-F124 HydrophobicContact CD2-CG 4.43Å; L43-F127 HydrophobicContact CD1-CD1 4.27Å; L43-F127 HydrophobicContact CD1-CE1 3.82Å; L43-I128 HydrophobicContact CB-CD1 4.41Å
44L98.3Very high95.4Very high0 Ų044.5 Ų44.50%021%0.21CC..EExtended strand (participates in β ladder)trans-115.1115.7-176.5-51.5-175.7000108.8F32 I36 A42 F46 Y61 I80 I82 I102 K103 T105 I110F32-L44 HydrophobicContact CE2-CD1 3.86Å; F32-L44 HydrophobicContact CE2-CD2 4.4Å; F32-L44 HydrophobicContact CZ-CD1 3.7Å; I36-L44 HydrophobicContact CG2-CD2 3.81Å; A42-L44 HydrophobicContact CB-CD2 4.28Å; L44-F46 HydrophobicContact CB-CD2 4.26Å; L44-F46 HydrophobicContact CB-CE2 3.6Å; L44-F46 HydrophobicContact CB-CZ 4.22Å; L44-F46 HydrophobicContact CD1-CE2 3.98Å; L44-F46 HydrophobicContact CD1-CZ 4Å; L44-F46 HydrophobicContact CG-CE2 4.49Å; L44-Y61 PolarHBondContact N-OH 3.14Å; L44-I80 CarbonylContact C-O 3.45Å; L44-I80 WeakPolarHBondContact CA-O 3.46Å; L44-I80 HydrophobicContact CD2-CB 3.82Å; L44-I80 HydrophobicContact CD2-CD1 3.82Å; L44-I80 HydrophobicContact CD2-CG1 4.26Å; L44-I80 HydrophobicContact CD2-CG2 4.3Å; L44-I82 HydrophobicContact CB-CD1 4.11Å; L44-I102 CarbonylContact O-C 3.57Å; L44-I102 WeakPolarHBondContact O-CA 3.47Å; L44-K103 HydrophobicContact CB-CB 4.41Å; L44-K103 PolarHBondContact N-O 3.24Å; L44-K103 PolarHBondContact O-N 2.83Å; L44-T105 HydrophobicContact CD1-CG2 3.39Å; L44-T105 HydrophobicContact CD2-CG2 4.03Å; L44-T105 HydrophobicContact CG-CG2 3.74Å; L44-I110 HydrophobicContact CD1-CD1 4.35Å; L44-I110 HydrophobicContact CD1-CG1 4.19Å
45K98Very high95.4Very high16 Ų1644 Ų447%0.0721%0.205CC..EExtended strand (participates in β ladder)trans-99.6108.8173.4-178-171.369.4175.20109L57 Y61 I80 S81 I82K45-L57 HydrophobicContact CD-CD2 3.88Å; K45-L57 HydrophobicContact CD-CG 4.19Å; K45-L57 HydrophobicContact CG-CD2 4.02Å; K45-Y61 HydrophobicContact CB-CD1 4.34Å; K45-Y61 HydrophobicContact CB-CD2 4.39Å; K45-Y61 HydrophobicContact CB-CE1 3.85Å; K45-Y61 HydrophobicContact CB-CE2 3.92Å; K45-Y61 HydrophobicContact CD-CD1 4.11Å; K45-Y61 HydrophobicContact CD-CD2 4.31Å; K45-Y61 HydrophobicContact CD-CE1 4.46Å; K45-Y61 HydrophobicContact CD-CG 4Å; K45-Y61 PolarHBondContact N-OH 3.37Å; K45-I80 PolarHBondContact N-O 2.64Å; K45-S81 WeakPolarHBondContact CE-OG 3.32Å; K45-S81 PolarHBondContact NZ-OG 3Å; K45-I82 PolarHBondContact O-N 2.68Å
46F98.3Very high95.4Very high0 Ų046.5 Ų46.50%022%0.217CC..EExtended strand (participates in β ladder)trans-92.6119.9170.7-61.9-91.1000108.9F32 L44 I82 Q94 I96 P100 T101 K103F32-F46 HydrophobicContact CE2-CZ 4.18Å; F32-F46 HydrophobicContact CZ-CZ 4.23Å; L44-F46 HydrophobicContact CB-CD2 4.26Å; L44-F46 HydrophobicContact CB-CE2 3.6Å; L44-F46 HydrophobicContact CB-CZ 4.22Å; L44-F46 HydrophobicContact CD1-CE2 3.98Å; L44-F46 HydrophobicContact CD1-CZ 4Å; L44-F46 HydrophobicContact CG-CE2 4.49Å; F46-I82 HydrophobicContact CD1-CB 3.85Å; F46-I82 HydrophobicContact CD1-CD1 4.21Å; F46-I82 HydrophobicContact CD1-CG1 4.25Å; F46-I82 HydrophobicContact CD1-CG2 4Å; F46-I82 HydrophobicContact CE1-CB 4.17Å; F46-I82 HydrophobicContact CE1-CD1 4.01Å; F46-I82 HydrophobicContact CE1-CG1 4.09Å; F46-I82 HydrophobicContact CE1-CG2 4.23Å; F46-I82 HydrophobicContact CE2-CD1 4.45Å; F46-I82 HydrophobicContact CZ-CD1 4.14Å; F46-Q94 HydrophobicContact CE1-CB 4.16Å; F46-Q94 HydrophobicContact CE1-CG 4.04Å; F46-Q94 HydrophobicContact CZ-CB 4.11Å; F46-Q94 HydrophobicContact CZ-CG 3.94Å; F46-I96 HydrophobicContact CB-CD1 4.03Å; F46-I96 HydrophobicContact CB-CG1 4.04Å; F46-I96 HydrophobicContact CB-CG2 4.01Å; F46-I96 HydrophobicContact CD1-CD1 3.93Å; F46-I96 HydrophobicContact CD1-CG1 3.7Å; F46-I96 HydrophobicContact CD2-CD1 3.6Å; F46-I96 HydrophobicContact CD2-CG1 4.28Å; F46-I96 HydrophobicContact CE1-CD1 4.27Å; F46-I96 HydrophobicContact CE1-CG1 4.18Å; F46-I96 HydrophobicContact CE2-CD1 3.97Å; F46-I96 HydrophobicContact CG-CD1 3.57Å; F46-I96 HydrophobicContact CG-CG1 3.75Å; F46-I96 HydrophobicContact CZ-CD1 4.28Å; F46-P100 CarbonylContact O-C 3.52Å; F46-P100 VanDerWaalsContact O-CA 3.28Å; F46-P100 WeakPolarHBondContact O-CA 3.18Å; F46-T101 HydrophobicContact CD2-CG2 4.47Å; F46-T101 PolarHBondContact N-O 3.3Å; F46-T101 PolarHBondContact O-N 2.86Å; F46-K103 HydrophobicContact CD2-CG 4.42Å; F46-K103 HydrophobicContact CE2-CB 4.15Å; F46-K103 HydrophobicContact CE2-CD 4.16Å; F46-K103 HydrophobicContact CE2-CG 4.09Å
47S97.3Very high95.5Very high13 Ų1346.4 Ų46.49%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-140.7169.9-172.445.60000112.1S54 I82 C84S47-S54 WeakPolarHBondContact CB-OG 3.48Å; S47-I82 PolarHBondContact N-O 3.17Å; S47-I82 PolarHBondContact OG-O 3.29Å; S47-C84 PolarHBondContact O-N 2.86Å
48A95.6Very high95.6Very high2 Ų244.7 Ų44.72%0.01721%0.207CC..  trans-130.5150166.400000108.6W50 C51 S54 E85 Y99A48-W50 HydrophobicContact CB-CD2 4.32Å; A48-W50 HydrophobicContact CB-CZ2 4.02Å; A48-C51 HydrophobicContact CB-CB 4.32Å; A48-C51 WeakPolarHBondContact O-CB 3.47Å; A48-C51 PolarHBondContact O-N 3Å; A48-S54 WeakPolarHBondContact O-CB 3.42Å; A48-E85 HydrophobicContact CB-CG 3.94Å; A48-Y99 HydrophobicContact CB-CD2 3.8Å; A48-Y99 HydrophobicContact CB-CE2 3.9Å; A48-Y99 HydrophobicContact CB-CG 4.21Å
49E92.6Very high95.7Very high147 Ų14741.9 Ų41.969%0.68720%0.2SC*.THydrogen-bonded Turntrans-69.5-38.4-172.1-66.5-165158.500112C51 Q55 E85E49-C51 PolarHBondContact O-N 3.38Å; E49-Q55 PolarHBondContact O-NE2 3.12Å; E49-E85 PolarHBondContact N-OE2 3.25Å
50W92.9Very high95.9Very high104 Ų10441.8 Ų41.839%0.39420%0.202SC..THydrogen-bonded Turntrans-71.4-14.7178.256.4-100.6000113.6A48 Y52 E85 Y99 T398 E403A48-W50 HydrophobicContact CB-CD2 4.32Å; A48-W50 HydrophobicContact CB-CZ2 4.02Å; W50-Y52 PolarHBondContact O-N 3.04Å; W50-E85 PolarHBondContact NE1-OE1 2.95Å; W50-Y99 HydrophobicContact CH2-CD2 4.24Å; W50-Y99 HydrophobicContact CZ2-CD2 4.01Å; W50-Y99 HydrophobicContact CZ2-CE2 4.08Å; W50-T398 HydrophobicContact CH2-CG2 3.83Å; W50-T398 HydrophobicContact CZ3-CG2 3.73Å; W50-E403 WeakPolarHBondContact CH2-OE2 3.12Å; W50-E403 WeakPolarHBondContact CZ3-OE1 3.1Å
51C94.2Very high96.1Very high0 Ų039.7 Ų39.70%019%0.191CC..  trans-76.8111.1-175.5174.70000111.3A48 E49 Y53 S54 Q55 T398A48-C51 HydrophobicContact CB-CB 4.32Å; A48-C51 WeakPolarHBondContact O-CB 3.47Å; A48-C51 PolarHBondContact O-N 3Å; E49-C51 PolarHBondContact O-N 3.38Å; C51-Y53 VanDerWaalsContact C-N 3.3Å; C51-Y53 PolarHBondContact O-N 2.67Å; C51-S54 WeakPolarHBondContact CB-OG 3.41Å; C51-S54 WeakPolarHBondContact O-CA 3.01Å; C51-S54 VanDerWaalsContact O-CB 3.31Å; C51-S54 WeakPolarHBondContact O-CB 3.04Å; C51-S54 PolarHBondContact O-N 2.77Å; C51-S54 PolarHBondContact SG-OG 3.25Å; C51-S54 VanDerWaalsContact SG-OG 3.33Å; C51-Q55 PolarHBondContact O-N 3.32Å; C51-T398 PolarHBondContact SG-OG1 2.93Å
52Y95.3Very high96.2Very high149 Ų14943.2 Ų43.258%0.58421%0.207SC*.Hα-helixtrans-49.4-45.7177.8175.8-110.4000113.6W50 S54 Q55 I56W50-Y52 PolarHBondContact O-N 3.04Å; Y52-S54 VanDerWaalsContact C-N 3.28Å; Y52-S54 PolarHBondContact O-N 2.92Å; Y52-Q55 PolarHBondContact O-N 3.21Å; Y52-I56 HydrophobicContact CD1-CD1 3.79Å; Y52-I56 HydrophobicContact CD2-CD1 4.36Å; Y52-I56 HydrophobicContact CE1-CD1 3.24Å; Y52-I56 HydrophobicContact CE1-CG1 4.41Å; Y52-I56 HydrophobicContact CE2-CD1 3.88Å; Y52-I56 HydrophobicContact CE2-CG1 4.29Å; Y52-I56 HydrophobicContact CG-CD1 4.33Å; Y52-I56 PolarHBondContact O-N 3.29Å
53Y95.6Very high96.3Very high58 Ų5848.1 Ų48.123%0.22723%0.229CC..Hα-helixtrans-67.3-28.9179-62-62.6000113.3C51 L57 R394 M395C51-Y53 VanDerWaalsContact C-N 3.3Å; C51-Y53 PolarHBondContact O-N 2.67Å; Y53-L57 WeakPolarHBondContact O-CB 3.39Å; Y53-L57 PolarHBondContact O-N 2.9Å; Y53-R394 PolarHBondContact OH-O 3.31Å; Y53-M395 WeakPolarHBondContact CE1-O 3.22Å; Y53-M395 VanDerWaalsContact CZ-C 3.46Å; Y53-M395 WeakPolarHBondContact OH-CA 3.46Å; Y53-M395 PolarHBondContact OH-O 2.74Å
54S96.3Very high96.2Very high6 Ų648.1 Ų48.14%0.04223%0.229CC..Hα-helixtrans-71.7-40.5174.4-62.60000111.1S47 A48 C51 Y52 L57 A58S47-S54 WeakPolarHBondContact CB-OG 3.48Å; A48-S54 WeakPolarHBondContact O-CB 3.42Å; C51-S54 WeakPolarHBondContact CB-OG 3.41Å; C51-S54 WeakPolarHBondContact O-CA 3.01Å; C51-S54 VanDerWaalsContact O-CB 3.31Å; C51-S54 WeakPolarHBondContact O-CB 3.04Å; C51-S54 PolarHBondContact O-N 2.77Å; C51-S54 PolarHBondContact SG-OG 3.25Å; C51-S54 VanDerWaalsContact SG-OG 3.33Å; Y52-S54 VanDerWaalsContact C-N 3.28Å; Y52-S54 PolarHBondContact O-N 2.92Å; S54-L57 PolarHBondContact O-N 3.46Å; S54-A58 PolarHBondContact O-N 3.42Å
55Q96.6Very high96.1Very high110 Ų11048.3 Ų48.351%0.51423%0.231SC..Hα-helixtrans-62.4-44.4176.2-64.6173.31400111.6E49 C51 Y52 L57 A58 P59E49-Q55 PolarHBondContact O-NE2 3.12Å; C51-Q55 PolarHBondContact O-N 3.32Å; Y52-Q55 PolarHBondContact O-N 3.21Å; Q55-L57 VanDerWaalsContact C-N 3.33Å; Q55-L57 PolarHBondContact O-N 3Å; Q55-A58 PolarHBondContact O-N 3.33Å; Q55-P59 VanDerWaalsContact O-CD 3.31Å; Q55-P59 WeakPolarHBondContact O-CD 3.42Å
56I96.7Very high95.9Very high76 Ų7651.9 Ų51.939%0.3925%0.248SC..Hα-helixtrans-61.3-42.5175.1-68.7164.4000111.5Y52 A58 P59 I60Y52-I56 HydrophobicContact CD1-CD1 3.79Å; Y52-I56 HydrophobicContact CD2-CD1 4.36Å; Y52-I56 HydrophobicContact CE1-CD1 3.24Å; Y52-I56 HydrophobicContact CE1-CG1 4.41Å; Y52-I56 HydrophobicContact CE2-CD1 3.88Å; Y52-I56 HydrophobicContact CE2-CG1 4.29Å; Y52-I56 HydrophobicContact CG-CD1 4.33Å; Y52-I56 PolarHBondContact O-N 3.29Å; I56-A58 VanDerWaalsContact C-N 3.34Å; I56-A58 PolarHBondContact O-N 3.43Å; I56-P59 WeakPolarHBondContact O-CD 3.38Å; I56-I60 HydrophobicContact CG2-CD1 4.48Å
57L97.1Very high95.6Very high2 Ų256 Ų561%0.0127%0.266CS..Hα-helixtrans-70.2-30.5-176.1175.563.5000112.5K45 Y53 S54 Q55 I60 Y61 P100 I102 R119 F124K45-L57 HydrophobicContact CD-CD2 3.88Å; K45-L57 HydrophobicContact CD-CG 4.19Å; K45-L57 HydrophobicContact CG-CD2 4.02Å; Y53-L57 WeakPolarHBondContact O-CB 3.39Å; Y53-L57 PolarHBondContact O-N 2.9Å; S54-L57 PolarHBondContact O-N 3.46Å; Q55-L57 VanDerWaalsContact C-N 3.33Å; Q55-L57 PolarHBondContact O-N 3Å; L57-I60 PolarHBondContact O-N 3.07Å; L57-Y61 WeakPolarHBondContact O-CB 3.29Å; L57-Y61 PolarHBondContact O-N 3.37Å; L57-P100 HydrophobicContact CB-CG 4.35Å; L57-P100 HydrophobicContact CD2-CB 3.7Å; L57-P100 HydrophobicContact CD2-CG 3.55Å; L57-I102 HydrophobicContact CD1-CD1 4.39Å; L57-I102 HydrophobicContact CD2-CD1 3.66Å; L57-I102 HydrophobicContact CD2-CG1 4.11Å; L57-R119 HydrophobicContact CD1-CB 4.13Å; L57-R119 HydrophobicContact CD1-CG 4.24Å; L57-F124 HydrophobicContact CD1-CE2 3.74Å; L57-F124 HydrophobicContact CD1-CZ 3.76Å
58A96Very high95.4Very high34 Ų3455.6 Ų55.628%0.28126%0.262SS..Hα-helixtrans-50.8-55.8-173.600000114.5S54 Q55 I56 I60 Y61 E62S54-A58 PolarHBondContact O-N 3.42Å; Q55-A58 PolarHBondContact O-N 3.33Å; I56-A58 VanDerWaalsContact C-N 3.34Å; I56-A58 PolarHBondContact O-N 3.43Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.32Å; A58-Y61 WeakPolarHBondContact O-CB 3.19Å; A58-Y61 PolarHBondContact O-N 2.99Å; A58-E62 PolarHBondContact O-N 3.14Å; A58-E62 VanDerWaalsContact O-N 3.08Å
59P96.2Very high95.2Very high69 Ų6958.5 Ų58.545%0.44828%0.28SS..Hα-helixtrans-65.3-33.8179.325.4-35.4000113.2Q55 I56 Y61 E62 H63Q55-P59 VanDerWaalsContact O-CD 3.31Å; Q55-P59 WeakPolarHBondContact O-CD 3.42Å; I56-P59 WeakPolarHBondContact O-CD 3.38Å; P59-Y61 VanDerWaalsContact C-N 3.32Å; P59-Y61 PolarHBondContact O-N 3.32Å; P59-E62 PolarHBondContact O-N 3.39Å; P59-H63 PolarHBondContact O-N 3.1Å; P59-H63 VanDerWaalsContact O-N 3.09Å; P59-H63 PolarHBondContact O-ND1 3.33Å
60I97.2Very high95.1Very high43 Ų4357.1 Ų57.122%0.22127%0.274CS..Hα-helixtrans-64.7-42177.1-58.6175.3000110.1I56 L57 A58 A64 R119 V121 F124I56-I60 HydrophobicContact CG2-CD1 4.48Å; L57-I60 PolarHBondContact O-N 3.07Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.32Å; I60-A64 WeakPolarHBondContact O-CB 3.19Å; I60-A64 PolarHBondContact O-N 3.39Å; I60-R119 WeakPolarHBondContact CD1-O 3.42Å; I60-V121 HydrophobicContact CG2-CG2 4.02Å; I60-F124 HydrophobicContact CG2-CD2 4.25Å; I60-F124 HydrophobicContact CG2-CE2 4.08Å
61Y97.5Very high94.8Very high0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-67.3-38.3179.8-162.1-102.1000112.3V24 L43 L44 K45 L57 A58 P59 S65 F79 I80 F124V24-Y61 HydrophobicContact CG1-CD1 3.95Å; V24-Y61 HydrophobicContact CG1-CE1 3.85Å; V24-Y61 HydrophobicContact CG2-CD1 3.99Å; V24-Y61 HydrophobicContact CG2-CE1 4.44Å; L43-Y61 HydrophobicContact CB-CE2 4.49Å; L43-Y61 WeakPolarHBondContact CB-OH 3.36Å; L43-Y61 HydrophobicContact CD2-CD2 4.49Å; L43-Y61 HydrophobicContact CD2-CE2 3.59Å; L43-Y61 HydrophobicContact CG-CE2 4Å; L43-Y61 PolarHBondContact O-OH 2.93Å; L44-Y61 PolarHBondContact N-OH 3.14Å; K45-Y61 HydrophobicContact CB-CD1 4.34Å; K45-Y61 HydrophobicContact CB-CD2 4.39Å; K45-Y61 HydrophobicContact CB-CE1 3.85Å; K45-Y61 HydrophobicContact CB-CE2 3.92Å; K45-Y61 HydrophobicContact CD-CD1 4.11Å; K45-Y61 HydrophobicContact CD-CD2 4.31Å; K45-Y61 HydrophobicContact CD-CE1 4.46Å; K45-Y61 HydrophobicContact CD-CG 4Å; K45-Y61 PolarHBondContact N-OH 3.37Å; L57-Y61 WeakPolarHBondContact O-CB 3.29Å; L57-Y61 PolarHBondContact O-N 3.37Å; A58-Y61 WeakPolarHBondContact O-CB 3.19Å; A58-Y61 PolarHBondContact O-N 2.99Å; P59-Y61 VanDerWaalsContact C-N 3.32Å; P59-Y61 PolarHBondContact O-N 3.32Å; Y61-S65 PolarHBondContact O-N 3.4Å; Y61-F79 HydrophobicContact CD1-CB 4.41Å; Y61-F79 HydrophobicContact CD1-CD1 4.01Å; Y61-F79 AromaticContact CD2-CD1 4Å; Y61-F79 HydrophobicContact CD2-CD1 4Å; Y61-F79 HydrophobicContact CD2-CE1 4.33Å; Y61-F79 HydrophobicContact CE1-CB 3.74Å; Y61-F79 AromaticContact CE1-CD1 3.69Å; Y61-F79 HydrophobicContact CE1-CD1 3.69Å; Y61-F79 HydrophobicContact CE1-CG 4.2Å; Y61-F79 AromaticContact CE2-CD1 3.67Å; Y61-F79 HydrophobicContact CE2-CD1 3.67Å; Y61-F79 HydrophobicContact CE2-CE1 4.12Å; Y61-F79 HydrophobicContact CG-CD1 4.16Å; Y61-F79 AromaticContact CZ-CD1 3.5Å; Y61-I80 PolarHBondContact OH-O 2.84Å; Y61-F124 HydrophobicContact CD2-CE2 4.47Å; Y61-F124 HydrophobicContact CD2-CZ 4.35Å
62E96.7Very high94.4Very high78 Ų7858 Ų5836%0.36429%0.287SS..Hα-helixtrans-60.6-54.6173.4-161.390.4-140.300110.9V24 A58 P59 A64 S65 E66V24-E62 HydrophobicContact CG2-CB 4.46Å; A58-E62 PolarHBondContact O-N 3.14Å; A58-E62 VanDerWaalsContact O-N 3.08Å; P59-E62 PolarHBondContact O-N 3.39Å; E62-A64 VanDerWaalsContact C-N 3.29Å; E62-A64 PolarHBondContact O-N 3.05Å; E62-S65 WeakPolarHBondContact O-CA 3.45Å; E62-S65 VanDerWaalsContact O-CB 3.26Å; E62-S65 WeakPolarHBondContact O-CB 3.46Å; E62-S65 PolarHBondContact O-N 3.24Å; E62-E66 PolarHBondContact O-N 3.4Å
63H96.1Very high93.6Very high103 Ų10360 Ų6048%0.47730%0.299SS..Hα-helixtrans-63-34.7179.8-63.5158.1000112.7P59 E66 K67 V121P59-H63 PolarHBondContact O-N 3.1Å; P59-H63 VanDerWaalsContact O-N 3.09Å; P59-H63 PolarHBondContact O-ND1 3.33Å; H63-E66 IonicContact CD2-OE2 3.83Å; H63-E66 PolarHBondContact O-N 2.77Å; H63-K67 WeakPolarHBondContact O-CB 3.36Å; H63-K67 PolarHBondContact O-N 3.1Å; H63-V121 HydrophobicContact CB-CG2 3.82Å
64A95.9Very high92.3Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-63.4-41.2172.800000112.1I60 E62 E66 K67 V68 F79 V121 F124I60-A64 WeakPolarHBondContact O-CB 3.19Å; I60-A64 PolarHBondContact O-N 3.39Å; E62-A64 VanDerWaalsContact C-N 3.29Å; E62-A64 PolarHBondContact O-N 3.05Å; A64-E66 VanDerWaalsContact C-N 3.34Å; A64-E66 PolarHBondContact O-N 2.74Å; A64-K67 PolarHBondContact O-N 2.91Å; A64-V68 WeakPolarHBondContact O-CB 3Å; A64-V68 WeakPolarHBondContact O-CG2 3.5Å; A64-V68 PolarHBondContact O-N 3.24Å; A64-F79 HydrophobicContact CB-CE1 3.8Å; A64-F79 HydrophobicContact CB-CZ 4.17Å; A64-V121 HydrophobicContact CB-CG1 4.42Å; A64-F124 HydrophobicContact CB-CB 3.71Å; A64-F124 HydrophobicContact CB-CD2 3.99Å; A64-F124 HydrophobicContact CB-CG 4.18Å
65S95.3Very high91.3Very high4 Ų470.1 Ų70.13%0.02834%0.342CS..Hα-helixtrans-59.5-45174.91790000111.8S22 Y61 E62 V68 T69S22-S65 PolarHBondContact OG-OG 3.29Å; Y61-S65 PolarHBondContact O-N 3.4Å; E62-S65 WeakPolarHBondContact O-CA 3.45Å; E62-S65 VanDerWaalsContact O-CB 3.26Å; E62-S65 WeakPolarHBondContact O-CB 3.46Å; E62-S65 PolarHBondContact O-N 3.24Å; S65-V68 PolarHBondContact O-N 2.89Å; S65-T69 WeakPolarHBondContact O-CB 3.21Å; S65-T69 PolarHBondContact O-N 3.16Å; S65-T69 PolarHBondContact O-OG1 3.44Å
66E93.6Very high90.7Very high92 Ų9270.1 Ų70.143%0.4334%0.34SS..Hα-helixtrans-60-49.8177.1-67.8173.3169.800111S22 E62 H63 A64 V68 T69 E70S22-E66 WeakPolarHBondContact OG-CA 3.4Å; S22-E66 WeakPolarHBondContact OG-CG 3.1Å; S22-E66 PolarHBondContact OG-N 3.23Å; S22-E66 VanDerWaalsContact OG-N 3.09Å; E62-E66 PolarHBondContact O-N 3.4Å; H63-E66 IonicContact CD2-OE2 3.83Å; H63-E66 PolarHBondContact O-N 2.77Å; A64-E66 VanDerWaalsContact C-N 3.34Å; A64-E66 PolarHBondContact O-N 2.74Å; E66-V68 PolarHBondContact O-N 3.23Å; E66-T69 PolarHBondContact O-N 3.17Å; E66-E70 PolarHBondContact O-N 3.04Å
67K93.3Very high90.6Very high86 Ų8667.1 Ų67.137%0.37433%0.326SS..Hα-helixtrans-63.5-42.8-178.5-162.672.5-164.5159.70112.5H63 A64 T69 E70 L71 V121 V125H63-K67 WeakPolarHBondContact O-CB 3.36Å; H63-K67 PolarHBondContact O-N 3.1Å; A64-K67 PolarHBondContact O-N 2.91Å; K67-T69 VanDerWaalsContact C-N 3.34Å; K67-E70 IonicContact NZ-OE2 3.51Å; K67-E70 PolarHBondContact NZ-OE2 2.76Å; K67-E70 PolarHBondContact O-N 3.33Å; K67-L71 HydrophobicContact CG-CD1 4.07Å; K67-L71 WeakPolarHBondContact O-CB 3.2Å; K67-L71 VanDerWaalsContact O-CG 3.23Å; K67-L71 WeakPolarHBondContact O-CG 3.31Å; K67-L71 PolarHBondContact O-N 2.88Å; K67-V121 HydrophobicContact CB-CG1 4.45Å; K67-V125 HydrophobicContact CB-CG2 3.9Å; K67-V125 HydrophobicContact CG-CG2 3.82Å
68V93.3Very high90.5Very high4 Ų467.3 Ų67.32%0.02433%0.327CS..Hα-helixtrans-66.1-38.7177.6168.70000111.5A64 S65 E66 L71 T72 V77 F79 V125 I128A64-V68 WeakPolarHBondContact O-CB 3Å; A64-V68 WeakPolarHBondContact O-CG2 3.5Å; A64-V68 PolarHBondContact O-N 3.24Å; S65-V68 PolarHBondContact O-N 2.89Å; E66-V68 PolarHBondContact O-N 3.23Å; V68-L71 PolarHBondContact O-N 2.78Å; V68-T72 HydrophobicContact CG1-CG2 4.05Å; V68-T72 WeakPolarHBondContact O-CB 3.32Å; V68-T72 WeakPolarHBondContact O-CG2 3.15Å; V68-T72 PolarHBondContact O-N 3.39Å; V68-T72 PolarHBondContact O-OG1 2.84Å; V68-V77 HydrophobicContact CG1-CB 4.08Å; V68-V77 HydrophobicContact CG1-CG1 3.8Å; V68-F79 HydrophobicContact CB-CE2 3.82Å; V68-F79 HydrophobicContact CB-CZ 4.38Å; V68-F79 HydrophobicContact CG1-CE2 3.99Å; V68-F79 HydrophobicContact CG2-CE2 3.82Å; V68-F79 HydrophobicContact CG2-CZ 3.9Å; V68-V125 HydrophobicContact CG2-CB 4.5Å; V68-V125 HydrophobicContact CG2-CG2 3.98Å; V68-I128 HydrophobicContact CG1-CG2 3.81Å; V68-I128 HydrophobicContact CG2-CB 4.22Å; V68-I128 HydrophobicContact CG2-CG1 4.2Å; V68-I128 HydrophobicContact CG2-CG2 4.34Å
69T91.1Very high90.5Very high64 Ų6465.8 Ų65.839%0.39332%0.315SS..Hα-helixtrans-63.3-44.5177.2-590000110.8S22 S65 E66 K67 K73S22-T69 VanDerWaalsContact CB-OG1 3.24Å; S22-T69 WeakPolarHBondContact CB-OG1 3.46Å; S65-T69 WeakPolarHBondContact O-CB 3.21Å; S65-T69 PolarHBondContact O-N 3.16Å; S65-T69 PolarHBondContact O-OG1 3.44Å; E66-T69 PolarHBondContact O-N 3.17Å; K67-T69 VanDerWaalsContact C-N 3.34Å; T69-K73 PolarHBondContact O-N 2.96Å; T69-K73 VanDerWaalsContact O-N 3.11Å
70E90Very high90.6Very high118 Ų11862.5 Ų62.555%0.55129%0.293SS*.Hα-helixtrans-60.2-46.9175.4-172.3-167.9-17400112E66 K67 K73E66-E70 PolarHBondContact O-N 3.04Å; K67-E70 IonicContact NZ-OE2 3.51Å; K67-E70 PolarHBondContact NZ-OE2 2.76Å; K67-E70 PolarHBondContact O-N 3.33Å; E70-K73 VanDerWaalsContact O-CG 3.28Å; E70-K73 WeakPolarHBondContact O-CG 3.32Å
71L87.6Confident90.6Very high85 Ų8561.5 Ų61.545%0.44529%0.29SS..Hα-helixtrans-70.9-47-175.4-73.5171.2000112.8K67 V68 V125K67-L71 HydrophobicContact CG-CD1 4.07Å; K67-L71 WeakPolarHBondContact O-CB 3.2Å; K67-L71 VanDerWaalsContact O-CG 3.23Å; K67-L71 WeakPolarHBondContact O-CG 3.31Å; K67-L71 PolarHBondContact O-N 2.88Å; V68-L71 PolarHBondContact O-N 2.78Å; L71-V125 HydrophobicContact CD1-CG1 3.49Å; L71-V125 VanDerWaalsContact CD1-CG1 3.49Å
72T84.3Confident90.7Very high38 Ų3861.5 Ų61.523%0.23329%0.29CS..Hα-helixtrans-80.1-24.4-174.163.10000112.3V68 S74 V77 L132V68-T72 HydrophobicContact CG1-CG2 4.05Å; V68-T72 WeakPolarHBondContact O-CB 3.32Å; V68-T72 WeakPolarHBondContact O-CG2 3.15Å; V68-T72 PolarHBondContact O-N 3.39Å; V68-T72 PolarHBondContact O-OG1 2.84Å; T72-S74 VanDerWaalsContact O-CB 3.31Å; T72-S74 WeakPolarHBondContact O-CB 3.15Å; T72-S74 PolarHBondContact O-N 2.81Å; T72-V77 HydrophobicContact CG2-CG2 4.39Å; T72-L132 HydrophobicContact CG2-CD1 3.71Å
73K78.9Confident90.7Very high189 Ų18959.2 Ų59.282%0.82228%0.28SS*.  trans47.119-173.6-58.4-173.8-179.9-178.50113.7T69 E70T69-K73 PolarHBondContact O-N 2.96Å; T69-K73 VanDerWaalsContact O-N 3.11Å; E70-K73 VanDerWaalsContact O-CG 3.28Å; E70-K73 WeakPolarHBondContact O-CG 3.32Å
74S69.3Low90.8Very high41 Ų4154.5 Ų54.529%0.28726%0.259SS..SBendtrans-126.6137-167.578.40000108.6T72 K76T72-S74 VanDerWaalsContact O-CB 3.31Å; T72-S74 WeakPolarHBondContact O-CB 3.15Å; T72-S74 PolarHBondContact O-N 2.81Å; S74-K76 PolarHBondContact O-N 2.81Å; S74-K76 WeakPolarHBondContact OG-CB 3.1Å
75R74Confident90.7Very high236 Ų23658.2 Ų58.289%0.89128%0.276SS*.THydrogen-bonded Turntrans-73.124.2172.8-62.1-170.7-177.8-164.50.2112.8Y39Y39-R75 WeakPolarHBondContact CD1-O 3.4Å; Y39-R75 WeakPolarHBondContact CE1-O 3.43Å
76K85.1Confident90.7Very high110 Ų11062.1 Ų62.148%0.47830%0.303SS..THydrogen-bonded Turntrans-89.9-18.6-176.3-66.6-178.1162.1-150.50112.9D40 V41 S74D40-K76 HydrophobicContact CB-CB 4.12Å; D40-K76 PolarHBondContact N-O 3.12Å; D40-K76 WeakPolarHBondContact OD2-CD 3.33Å; D40-K76 WeakPolarHBondContact OD2-CE 3.31Å; D40-K76 WeakPolarHBondContact OD2-CG 3.42Å; D40-K76 IonicContact OD2-NZ 3.07Å; D40-K76 PolarHBondContact OD2-NZ 2.95Å; V41-K76 PolarHBondContact N-O 2.98Å; S74-K76 PolarHBondContact O-N 2.81Å; S74-K76 WeakPolarHBondContact OG-CB 3.1Å
77V94.2Very high90.8Very high13 Ų1358.5 Ų58.58%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-117.2137.8-179.1-172.20000110.8V41 V68 T72 F79 I128 L132V41-V77 HydrophobicContact CB-CG2 4.41Å; V41-V77 VanDerWaalsContact O-CA 3.23Å; V41-V77 WeakPolarHBondContact O-CA 3.44Å; V68-V77 HydrophobicContact CG1-CB 4.08Å; V68-V77 HydrophobicContact CG1-CG1 3.8Å; T72-V77 HydrophobicContact CG2-CG2 4.39Å; V77-F79 HydrophobicContact CG1-CE2 4.35Å; V77-I128 HydrophobicContact CG1-CD1 4.22Å; V77-I128 HydrophobicContact CG1-CG2 3.93Å; V77-I128 HydrophobicContact CG2-CG2 4.1Å; V77-L132 HydrophobicContact CG2-CD1 3.9Å; V77-L132 HydrophobicContact CG2-CD2 3.81Å; V77-L132 HydrophobicContact CG2-CG 4.22Å
78A94.7Very high90.9Very high6 Ų661 Ų615%0.0530%0.3CS..EExtended strand (participates in β ladder)trans-129.8147.8171.400000112.1L25 Y39 V41 A42 L43 I80L25-A78 HydrophobicContact CD1-CB 4.1Å; Y39-A78 HydrophobicContact CD1-CB 3.64Å; Y39-A78 HydrophobicContact CD2-CB 3.67Å; Y39-A78 HydrophobicContact CE1-CB 3.75Å; Y39-A78 HydrophobicContact CE2-CB 3.79Å; Y39-A78 HydrophobicContact CG-CB 3.61Å; V41-A78 PolarHBondContact O-N 3.34Å; V41-A78 VanDerWaalsContact O-N 3.09Å; A42-A78 CarbonylContact C-O 3.58Å; A42-A78 VanDerWaalsContact CA-O 3.23Å; A42-A78 WeakPolarHBondContact CA-O 3.48Å; A42-A78 HydrophobicContact CB-CB 4.14Å; L43-A78 PolarHBondContact N-O 3.18Å; A78-I80 HydrophobicContact CB-CD1 4.3Å; A78-I80 HydrophobicContact CB-CG1 4.08Å
79F97Very high91Very high3 Ų366.8 Ų66.81%0.01333%0.331CS..EExtended strand (participates in β ladder)trans-106.8122.3163.6-78.6-116.5000106.7V24 L25 L43 Y61 A64 V68 V77 F124 I128V24-F79 CarbonylContact C-O 3.51Å; V24-F79 HydrophobicContact CG2-CB 4.35Å; L25-F79 PolarHBondContact N-O 3.31Å; L43-F79 HydrophobicContact CB-CD1 4.4Å; L43-F79 HydrophobicContact CB-CE1 4.48Å; L43-F79 HydrophobicContact CD2-CD1 4.17Å; L43-F79 HydrophobicContact CD2-CE1 3.68Å; L43-F79 HydrophobicContact CD2-CZ 4.19Å; Y61-F79 HydrophobicContact CD1-CB 4.41Å; Y61-F79 HydrophobicContact CD1-CD1 4.01Å; Y61-F79 AromaticContact CD2-CD1 4Å; Y61-F79 HydrophobicContact CD2-CD1 4Å; Y61-F79 HydrophobicContact CD2-CE1 4.33Å; Y61-F79 HydrophobicContact CE1-CB 3.74Å; Y61-F79 AromaticContact CE1-CD1 3.69Å; Y61-F79 HydrophobicContact CE1-CD1 3.69Å; Y61-F79 HydrophobicContact CE1-CG 4.2Å; Y61-F79 AromaticContact CE2-CD1 3.67Å; Y61-F79 HydrophobicContact CE2-CD1 3.67Å; Y61-F79 HydrophobicContact CE2-CE1 4.12Å; Y61-F79 HydrophobicContact CG-CD1 4.16Å; Y61-F79 AromaticContact CZ-CD1 3.5Å; A64-F79 HydrophobicContact CB-CE1 3.8Å; A64-F79 HydrophobicContact CB-CZ 4.17Å; V68-F79 HydrophobicContact CB-CE2 3.82Å; V68-F79 HydrophobicContact CB-CZ 4.38Å; V68-F79 HydrophobicContact CG1-CE2 3.99Å; V68-F79 HydrophobicContact CG2-CE2 3.82Å; V68-F79 HydrophobicContact CG2-CZ 3.9Å; V77-F79 HydrophobicContact CG1-CE2 4.35Å; F79-F124 HydrophobicContact CE1-CB 4.49Å; F79-I128 HydrophobicContact CE2-CG1 4.16Å; F79-I128 HydrophobicContact CZ-CG1 3.99Å
80I97.7Very high91.3Very high0 Ų064 Ų640%031%0.314CS..EExtended strand (participates in β ladder)trans-122.5134.1-174.8-55.7173.9000108.7L25 A27 L35 I36 A42 L43 L44 K45 Y61 A78 I82L25-I80 HydrophobicContact CB-CG1 4.26Å; L25-I80 CarbonylContact O-C 3.5Å; L25-I80 VanDerWaalsContact O-CA 3.25Å; L25-I80 WeakPolarHBondContact O-CA 3.37Å; A27-I80 HydrophobicContact CB-CG2 3.53Å; L35-I80 HydrophobicContact CD2-CD1 3.89Å; L35-I80 HydrophobicContact CD2-CG1 4.19Å; L35-I80 HydrophobicContact CD2-CG2 3.96Å; L35-I80 HydrophobicContact CG-CD1 3.96Å; I36-I80 HydrophobicContact CG2-CD1 3.91Å; A42-I80 HydrophobicContact CB-CD1 3.82Å; A42-I80 HydrophobicContact CB-CG1 4.45Å; L43-I80 PolarHBondContact O-N 2.77Å; L44-I80 CarbonylContact C-O 3.45Å; L44-I80 WeakPolarHBondContact CA-O 3.46Å; L44-I80 HydrophobicContact CD2-CB 3.82Å; L44-I80 HydrophobicContact CD2-CD1 3.82Å; L44-I80 HydrophobicContact CD2-CG1 4.26Å; L44-I80 HydrophobicContact CD2-CG2 4.3Å; K45-I80 PolarHBondContact N-O 2.64Å; Y61-I80 PolarHBondContact OH-O 2.84Å; A78-I80 HydrophobicContact CB-CD1 4.3Å; A78-I80 HydrophobicContact CB-CG1 4.08Å; I80-I82 HydrophobicContact CG2-CD1 4.01Å
81S98Very high91.6Very high21 Ų2158.6 Ų58.615%0.14729%0.289CS..EExtended strand (participates in β ladder)trans-110.6137175.5-166.40000110.4L25 A27 K45L25-S81 PolarHBondContact O-N 2.86Å; A27-S81 PolarHBondContact N-O 3.14Å; K45-S81 WeakPolarHBondContact CE-OG 3.32Å; K45-S81 PolarHBondContact NZ-OG 3Å
82I98.3Very high92Very high0 Ų057.8 Ų57.80%029%0.294CS..EExtended strand (participates in β ladder)trans-127.6116.5177.5-56.291.4000107.4A27 F32 L44 K45 F46 S47 I80 N87 L90A27-I82 HydrophobicContact CB-CG1 4.02Å; F32-I82 HydrophobicContact CD2-CG1 4.28Å; F32-I82 HydrophobicContact CE2-CD1 4.17Å; F32-I82 HydrophobicContact CE2-CG1 4.29Å; L44-I82 HydrophobicContact CB-CD1 4.11Å; K45-I82 PolarHBondContact O-N 2.68Å; F46-I82 HydrophobicContact CD1-CB 3.85Å; F46-I82 HydrophobicContact CD1-CD1 4.21Å; F46-I82 HydrophobicContact CD1-CG1 4.25Å; F46-I82 HydrophobicContact CD1-CG2 4Å; F46-I82 HydrophobicContact CE1-CB 4.17Å; F46-I82 HydrophobicContact CE1-CD1 4.01Å; F46-I82 HydrophobicContact CE1-CG1 4.09Å; F46-I82 HydrophobicContact CE1-CG2 4.23Å; F46-I82 HydrophobicContact CE2-CD1 4.45Å; F46-I82 HydrophobicContact CZ-CD1 4.14Å; S47-I82 PolarHBondContact N-O 3.17Å; S47-I82 PolarHBondContact OG-O 3.29Å; I80-I82 HydrophobicContact CG2-CD1 4.01Å; I82-N87 HydrophobicContact CG2-CB 4.24Å; I82-L90 HydrophobicContact CG1-CD2 4.33Å; I82-L90 HydrophobicContact CG2-CD2 3.7Å; I82-L90 HydrophobicContact CG2-CG 4.43Å
83D97.3Very high92.5Very high31 Ų3161.7 Ų61.717%0.16631%0.308CS..EExtended strand (participates in β ladder)trans-81114.1166.4168.830.2000109.3E85 S86 N87D83-E85 VanDerWaalsContact C-N 3.33Å; D83-E85 WeakPolarHBondContact OD1-CB 3.35Å; D83-E85 PolarHBondContact OD1-N 3.24Å; D83-S86 WeakPolarHBondContact OD2-CB 3.27Å; D83-S86 PolarHBondContact OD2-N 3.25Å; D83-S86 PolarHBondContact OD2-OG 2.7Å; D83-N87 VanDerWaalsContact O-CB 3.28Å; D83-N87 WeakPolarHBondContact O-CB 3.45Å; D83-N87 PolarHBondContact O-N 3.38Å; D83-N87 VanDerWaalsContact O-N 3.12Å; D83-N87 PolarHBondContact O-ND2 2.84Å
84C97.4Very high93.3Very high3 Ų353.8 Ų53.82%0.0227%0.274CS..THydrogen-bonded Turntrans-77.5-15.6-178.4-710000114.1S47 N87 Q88 C91 Y99S47-C84 PolarHBondContact O-N 2.86Å; C84-N87 CarbonylContact O-C 3.53Å; C84-Q88 WeakPolarHBondContact O-CG 3.38Å; C84-Q88 PolarHBondContact O-N 3.25Å; C84-C91 WeakPolarHBondContact CA-SG 3.1Å; C84-C91 HydrophobicContact CB-CB 3.68Å; C84-C91 WeakPolarHBondContact CB-SG 3.43Å; C84-C91 WeakPolarHBondContact SG-CB 3.45Å; C84-C91 CovalentContact SG-SG 2.03Å; C84-C91 PolarHBondContact SG-SG 3.34Å; C84-Y99 HydrophobicContact CB-CE1 3.61Å; C84-Y99 WeakPolarHBondContact CB-OH 3.44Å; C84-Y99 VanDerWaalsContact SG-CE1 3.59Å
85E93.8Very high94.4Very high78 Ų7860.1 Ų60.136%0.36429%0.292SS..THydrogen-bonded Turntrans-69.2-44.5173.6-63.4-172.782.900110.3A48 E49 W50 D83 Q88A48-E85 HydrophobicContact CB-CG 3.94Å; E49-E85 PolarHBondContact N-OE2 3.25Å; W50-E85 PolarHBondContact NE1-OE1 2.95Å; D83-E85 VanDerWaalsContact C-N 3.33Å; D83-E85 WeakPolarHBondContact OD1-CB 3.35Å; D83-E85 PolarHBondContact OD1-N 3.24Å; E85-Q88 PolarHBondContact O-NE2 2.72Å
86S95.6Very high95.3Very high86 Ų8649.5 Ų49.560%0.60125%0.253SS*.THydrogen-bonded Turntrans-79.4-18.2176-56.70000113.9D83D83-S86 WeakPolarHBondContact OD2-CB 3.27Å; D83-S86 PolarHBondContact OD2-N 3.25Å; D83-S86 PolarHBondContact OD2-OG 2.7Å
87N97Very high95.6Very high16 Ų1649.6 Ų49.69%0.08625%0.251CS..  trans-130.951.9-172.4-57.1-83.2000112.7N28 D29 I82 D83 C84 N89 L90 C91N28-N87 WeakPolarHBondContact CA-OD1 3.37Å; N28-N87 WeakPolarHBondContact CB-OD1 3.14Å; D29-N87 PolarHBondContact N-OD1 3.06Å; I82-N87 HydrophobicContact CG2-CB 4.24Å; D83-N87 VanDerWaalsContact O-CB 3.28Å; D83-N87 WeakPolarHBondContact O-CB 3.45Å; D83-N87 PolarHBondContact O-N 3.38Å; D83-N87 VanDerWaalsContact O-N 3.12Å; D83-N87 PolarHBondContact O-ND2 2.84Å; C84-N87 CarbonylContact O-C 3.53Å; N87-N89 VanDerWaalsContact C-N 3.29Å; N87-N89 PolarHBondContact O-N 3.16Å; N87-L90 HydrophobicContact CB-CB 4.26Å; N87-L90 HydrophobicContact CB-CD2 4.48Å; N87-L90 PolarHBondContact O-N 3.5Å; N87-C91 PolarHBondContact O-N 3.07Å; N87-C91 PolarHBondContact O-SG 3.29Å
88Q94.6Very high95.5Very high138 Ų13849.1 Ų49.165%0.64525%0.248SC*.Hα-helixtrans-59.4-38.6-174.3-63.1177.912.500112.6C84 E85 C91 A92C84-Q88 WeakPolarHBondContact O-CG 3.38Å; C84-Q88 PolarHBondContact O-N 3.25Å; E85-Q88 PolarHBondContact O-NE2 2.72Å; Q88-C91 PolarHBondContact O-N 3.27Å; Q88-A92 VanDerWaalsContact O-CB 3.25Å; Q88-A92 WeakPolarHBondContact O-CB 3.5Å; Q88-A92 PolarHBondContact O-N 3.2Å
89N95.8Very high95.5Very high126 Ų12650 Ų5067%0.67425%0.25SC*.Hα-helixtrans-65.3-47.6-179.1-70-40.4000111.5N87 A92 K93N87-N89 VanDerWaalsContact C-N 3.29Å; N87-N89 PolarHBondContact O-N 3.16Å; N89-A92 PolarHBondContact O-N 3.42Å; N89-K93 VanDerWaalsContact O-CB 3.31Å; N89-K93 WeakPolarHBondContact O-CB 3.4Å; N89-K93 PolarHBondContact O-N 2.96Å
90L97.1Very high95.5Very high7 Ų749.9 Ų49.94%0.03725%0.249CC..Hα-helixtrans-57.7-50.1173.5171.759.2000110.9D29 F32 I82 N87 A92 K93 Q94D29-L90 WeakPolarHBondContact OD1-CA 3.4Å; D29-L90 WeakPolarHBondContact OD1-CB 3.41Å; D29-L90 PolarHBondContact OD1-N 3.06Å; F32-L90 HydrophobicContact CB-CD1 4.08Å; F32-L90 HydrophobicContact CB-CD2 3.81Å; F32-L90 HydrophobicContact CD1-CD1 3.42Å; F32-L90 VanDerWaalsContact CD1-CD1 3.42Å; F32-L90 HydrophobicContact CD1-CD2 4.48Å; F32-L90 HydrophobicContact CD2-CD1 3.95Å; F32-L90 HydrophobicContact CD2-CD2 3.65Å; F32-L90 HydrophobicContact CD2-CG 4.38Å; F32-L90 HydrophobicContact CE1-CD1 3.71Å; F32-L90 HydrophobicContact CE2-CD1 4.22Å; F32-L90 HydrophobicContact CE2-CD2 4.33Å; F32-L90 HydrophobicContact CG-CD1 3.55Å; F32-L90 HydrophobicContact CG-CD2 3.74Å; F32-L90 HydrophobicContact CG-CG 4.3Å; F32-L90 HydrophobicContact CZ-CD1 4.1Å; I82-L90 HydrophobicContact CG1-CD2 4.33Å; I82-L90 HydrophobicContact CG2-CD2 3.7Å; I82-L90 HydrophobicContact CG2-CG 4.43Å; N87-L90 HydrophobicContact CB-CB 4.26Å; N87-L90 HydrophobicContact CB-CD2 4.48Å; N87-L90 PolarHBondContact O-N 3.5Å; L90-A92 VanDerWaalsContact C-N 3.35Å; L90-A92 PolarHBondContact O-N 2.89Å; L90-K93 WeakPolarHBondContact O-CB 3.46Å; L90-K93 PolarHBondContact O-N 3.46Å; L90-Q94 HydrophobicContact CD1-CG 3.91Å; L90-Q94 VanDerWaalsContact O-CG 3.31Å; L90-Q94 WeakPolarHBondContact O-CG 3.35Å; L90-Q94 PolarHBondContact O-N 3.19Å
91C96.8Very high95.5Very high4 Ų449.9 Ų49.93%0.02725%0.249CC..Hα-helixtrans-66.2-36.2-177.9-66.20000112.9C84 N87 Q88 Q94 Y95 I96C84-C91 WeakPolarHBondContact CA-SG 3.1Å; C84-C91 HydrophobicContact CB-CB 3.68Å; C84-C91 WeakPolarHBondContact CB-SG 3.43Å; C84-C91 WeakPolarHBondContact SG-CB 3.45Å; C84-C91 CovalentContact SG-SG 2.03Å; C84-C91 PolarHBondContact SG-SG 3.34Å; N87-C91 PolarHBondContact O-N 3.07Å; N87-C91 PolarHBondContact O-SG 3.29Å; Q88-C91 PolarHBondContact O-N 3.27Å; C91-Q94 CarbonylContact O-C 3.58Å; C91-Q94 PolarHBondContact O-N 3.43Å; C91-Y95 PolarHBondContact O-N 3.35Å; C91-I96 HydrophobicContact CB-CB 4.17Å; C91-I96 HydrophobicContact CB-CG1 4.11Å; C91-I96 WeakPolarHBondContact O-CG1 3.28Å; C91-I96 PolarHBondContact O-N 2.73Å
92A95Very high95.5Very high67 Ų6749 Ų4955%0.55424%0.243SC*.Hα-helixtrans-64.2-46.1171.400000111.7Q88 N89 L90 Q94 Y95Q88-A92 VanDerWaalsContact O-CB 3.25Å; Q88-A92 WeakPolarHBondContact O-CB 3.5Å; Q88-A92 PolarHBondContact O-N 3.2Å; N89-A92 PolarHBondContact O-N 3.42Å; L90-A92 VanDerWaalsContact C-N 3.35Å; L90-A92 PolarHBondContact O-N 2.89Å; A92-Q94 PolarHBondContact O-N 2.95Å; A92-Y95 PolarHBondContact O-N 2.84Å
93K95.2Very high95.4Very high120 Ų12050 Ų5052%0.52225%0.247SC..Hα-helixtrans-58.4-34.3175.2-178.9-174.7176.1-1690112D33 N89 L90 Y95D33-K93 IonicContact OD1-NZ 3.57Å; D33-K93 IonicContact OD2-NZ 3.81Å; D33-K93 PolarHBondContact OD2-NZ 3.29Å; N89-K93 VanDerWaalsContact O-CB 3.31Å; N89-K93 WeakPolarHBondContact O-CB 3.4Å; N89-K93 PolarHBondContact O-N 2.96Å; L90-K93 WeakPolarHBondContact O-CB 3.46Å; L90-K93 PolarHBondContact O-N 3.46Å; K93-Y95 VanDerWaalsContact C-N 3.31Å
94Q94.9Very high95.4Very high23 Ų2348.7 Ų48.711%0.10724%0.24CC..THydrogen-bonded Turntrans-87.77.2176.7-58.8-47.9-36.100113.9F32 F46 L90 C91 A92 I96 K103 I110F32-Q94 HydrophobicContact CZ-CG 4.42Å; F46-Q94 HydrophobicContact CE1-CB 4.16Å; F46-Q94 HydrophobicContact CE1-CG 4.04Å; F46-Q94 HydrophobicContact CZ-CB 4.11Å; F46-Q94 HydrophobicContact CZ-CG 3.94Å; L90-Q94 HydrophobicContact CD1-CG 3.91Å; L90-Q94 VanDerWaalsContact O-CG 3.31Å; L90-Q94 WeakPolarHBondContact O-CG 3.35Å; L90-Q94 PolarHBondContact O-N 3.19Å; C91-Q94 CarbonylContact O-C 3.58Å; C91-Q94 PolarHBondContact O-N 3.43Å; A92-Q94 PolarHBondContact O-N 2.95Å; Q94-I96 VanDerWaalsContact C-N 3.26Å; Q94-I96 HydrophobicContact CB-CD1 4.07Å; Q94-I96 HydrophobicContact CB-CG1 4.02Å; Q94-I96 PolarHBondContact O-N 3.35Å; Q94-K103 PolarHBondContact O-NZ 3.05Å; Q94-I110 VanDerWaalsContact CD-CD1 3.43Å; Q94-I110 HydrophobicContact CG-CD1 4.4Å
95Y92Very high95.3Very high174 Ų17448.5 Ų48.568%0.68224%0.239SC*.THydrogen-bonded Turntrans54.139.2179.6-55.2-84.9000113.4C91 A92 K93 R97C91-Y95 PolarHBondContact O-N 3.35Å; A92-Y95 PolarHBondContact O-N 2.84Å; K93-Y95 VanDerWaalsContact C-N 3.31Å; Y95-R97 PolarHBondContact O-N 3.07Å
96I94Very high95.3Very high13 Ų1344.9 Ų44.97%0.06722%0.222CC..  trans-75.7119.1177.6-52.4-56.7000109F46 C91 Q94 Y99 T101 K103 I400F46-I96 HydrophobicContact CB-CD1 4.03Å; F46-I96 HydrophobicContact CB-CG1 4.04Å; F46-I96 HydrophobicContact CB-CG2 4.01Å; F46-I96 HydrophobicContact CD1-CD1 3.93Å; F46-I96 HydrophobicContact CD1-CG1 3.7Å; F46-I96 HydrophobicContact CD2-CD1 3.6Å; F46-I96 HydrophobicContact CD2-CG1 4.28Å; F46-I96 HydrophobicContact CE1-CD1 4.27Å; F46-I96 HydrophobicContact CE1-CG1 4.18Å; F46-I96 HydrophobicContact CE2-CD1 3.97Å; F46-I96 HydrophobicContact CG-CD1 3.57Å; F46-I96 HydrophobicContact CG-CG1 3.75Å; F46-I96 HydrophobicContact CZ-CD1 4.28Å; C91-I96 HydrophobicContact CB-CB 4.17Å; C91-I96 HydrophobicContact CB-CG1 4.11Å; C91-I96 WeakPolarHBondContact O-CG1 3.28Å; C91-I96 PolarHBondContact O-N 2.73Å; Q94-I96 VanDerWaalsContact C-N 3.26Å; Q94-I96 HydrophobicContact CB-CD1 4.07Å; Q94-I96 HydrophobicContact CB-CG1 4.02Å; Q94-I96 PolarHBondContact O-N 3.35Å; I96-Y99 HydrophobicContact CG2-CD1 4.11Å; I96-Y99 HydrophobicContact CG2-CE1 3.65Å; I96-T101 HydrophobicContact CD1-CG2 3.73Å; I96-K103 HydrophobicContact CD1-CD 4.25Å; I96-I400 WeakPolarHBondContact O-CD1 3.47Å
97R90.4Very high95.1Very high113 Ų11344.4 Ų44.443%0.42621%0.208SC..  trans-118.8-4.1-175.5-67-179.9179175.1-0.8114.1Y95 I400Y95-R97 PolarHBondContact O-N 3.07Å; R97-I400 VanDerWaalsContact C-CD1 3.46Å; R97-I400 WeakPolarHBondContact O-CB 3.33Å; R97-I400 VanDerWaalsContact O-CG1 3.32Å; R97-I400 WeakPolarHBondContact O-CG1 3.01Å; R97-I400 PolarHBondContact O-N 2.73Å
98K93.1Very high94.9Very high3 Ų344.6 Ų44.61%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-153.6158.5-176.970.9-168.3-179.7-154.60110.3T101 E114 E249 E253 P392 Y397 T398K98-T101 WeakPolarHBondContact CG-OG1 3.28Å; K98-T101 PolarHBondContact O-OG1 3.24Å; K98-E114 WeakPolarHBondContact CE-OE2 3.31Å; K98-E114 IonicContact NZ-OE2 3.05Å; K98-E114 PolarHBondContact NZ-OE2 3.35Å; K98-E249 IonicContact NZ-OE1 2.84Å; K98-E253 WeakPolarHBondContact CD-OE1 3.42Å; K98-E253 WeakPolarHBondContact CE-OE1 3.32Å; K98-E253 IonicContact NZ-OE1 2.9Å; K98-E253 PolarHBondContact NZ-OE1 3.09Å; K98-E253 IonicContact NZ-OE2 2.73Å; K98-E253 PolarHBondContact NZ-OE2 3.41Å; K98-P392 HydrophobicContact CD-CB 4.07Å; K98-P392 HydrophobicContact CD-CG 4.41Å; K98-Y397 HydrophobicContact CD-CD1 3.69Å; K98-Y397 HydrophobicContact CD-CD2 4.12Å; K98-Y397 HydrophobicContact CD-CE1 4.04Å; K98-Y397 HydrophobicContact CD-CE2 4.44Å; K98-Y397 HydrophobicContact CD-CG 3.73Å; K98-Y397 HydrophobicContact CG-CD1 3.87Å; K98-Y397 HydrophobicContact CG-CE1 4.46Å; K98-Y397 HydrophobicContact CG-CG 4.16Å; K98-T398 CarbonylContact C-O 3.52Å; K98-T398 WeakPolarHBondContact CA-O 3.49Å; K98-T398 WeakPolarHBondContact CB-O 3.46Å
99Y95.5Very high94.9Very high24 Ų2442 Ų429%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-126.7142.8178.8-57.9-54.9000112.6A48 W50 C84 I96 Y397 T398 I400A48-Y99 HydrophobicContact CB-CD2 3.8Å; A48-Y99 HydrophobicContact CB-CE2 3.9Å; A48-Y99 HydrophobicContact CB-CG 4.21Å; W50-Y99 HydrophobicContact CH2-CD2 4.24Å; W50-Y99 HydrophobicContact CZ2-CD2 4.01Å; W50-Y99 HydrophobicContact CZ2-CE2 4.08Å; C84-Y99 HydrophobicContact CB-CE1 3.61Å; C84-Y99 WeakPolarHBondContact CB-OH 3.44Å; C84-Y99 VanDerWaalsContact SG-CE1 3.59Å; I96-Y99 HydrophobicContact CG2-CD1 4.11Å; I96-Y99 HydrophobicContact CG2-CE1 3.65Å; Y99-Y397 CarbonylContact O-C 3.46Å; Y99-Y397 VanDerWaalsContact O-CA 3.28Å; Y99-Y397 WeakPolarHBondContact O-CA 3.2Å; Y99-T398 PolarHBondContact N-O 3.01Å; Y99-T398 PolarHBondContact O-N 3Å; Y99-I400 HydrophobicContact CD2-CD1 4.37Å; Y99-I400 HydrophobicContact CD2-CG1 4.18Å; Y99-I400 HydrophobicContact CE1-CD1 4.17Å; Y99-I400 HydrophobicContact CE2-CD1 3.6Å; Y99-I400 HydrophobicContact CE2-CG1 3.69Å; Y99-I400 VanDerWaalsContact CZ-CD1 3.47Å; Y99-I400 WeakPolarHBondContact OH-CD1 3.13Å
100P96.9Very high94.8Very high0 Ų038.2 Ų38.20%018%0.179CC..SBendcis-74.4141.6-16.230.8-32.3000110.4F46 L57 R119 Y397F46-P100 CarbonylContact O-C 3.52Å; F46-P100 VanDerWaalsContact O-CA 3.28Å; F46-P100 WeakPolarHBondContact O-CA 3.18Å; L57-P100 HydrophobicContact CB-CG 4.35Å; L57-P100 HydrophobicContact CD2-CB 3.7Å; L57-P100 HydrophobicContact CD2-CG 3.55Å; P100-R119 PolarHBondContact O-NH2 2.88Å; P100-Y397 VanDerWaalsContact O-CD1 3.32Å; P100-Y397 WeakPolarHBondContact O-CD1 3.49Å; P100-Y397 WeakPolarHBondContact O-CE1 3.47Å
101T96.7Very high94.6Very high0 Ų038.6 Ų38.60%018%0.181CC..EExtended strand (participates in β ladder)trans-104131.9167.3-79.50000108.7F46 I96 K98 K103 E114F46-T101 HydrophobicContact CD2-CG2 4.47Å; F46-T101 PolarHBondContact N-O 3.3Å; F46-T101 PolarHBondContact O-N 2.86Å; I96-T101 HydrophobicContact CD1-CG2 3.73Å; K98-T101 WeakPolarHBondContact CG-OG1 3.28Å; K98-T101 PolarHBondContact O-OG1 3.24Å; T101-K103 HydrophobicContact CG2-CD 4.46Å; T101-K103 HydrophobicContact CG2-CG 3.93Å; T101-E114 HydrophobicContact CG2-CG 4.25Å; T101-E114 VanDerWaalsContact CG2-OE1 3.27Å; T101-E114 WeakPolarHBondContact CG2-OE1 3.4Å
102I97.7Very high93.9Very high3 Ų345.3 Ų45.32%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-114.9120.8178.5-55.8173.4000108.2L43 L44 L57 E114 Y115 F124L43-I102 HydrophobicContact CD1-CG2 3.58Å; L43-I102 HydrophobicContact CD2-CG2 4.07Å; L43-I102 HydrophobicContact CG-CG2 3.64Å; L44-I102 CarbonylContact O-C 3.57Å; L44-I102 WeakPolarHBondContact O-CA 3.47Å; L57-I102 HydrophobicContact CD1-CD1 4.39Å; L57-I102 HydrophobicContact CD2-CD1 3.66Å; L57-I102 HydrophobicContact CD2-CG1 4.11Å; I102-E114 CarbonylContact O-C 3.57Å; I102-E114 WeakPolarHBondContact O-CA 3.46Å; I102-Y115 HydrophobicContact CB-CD1 4.48Å; I102-Y115 HydrophobicContact CD1-CD1 4.02Å; I102-Y115 HydrophobicContact CG2-CD1 4.46Å; I102-Y115 HydrophobicContact CG2-CG 4.26Å; I102-Y115 PolarHBondContact O-N 2.78Å; I102-F124 HydrophobicContact CD1-CE1 3.69Å; I102-F124 HydrophobicContact CD1-CZ 3.54Å
103K96.9Very high93.4Very high20 Ų2043.7 Ų43.79%0.08720%0.195CC..EExtended strand (participates in β ladder)trans-115.8160.7175.1-60.1-167.4173.7-170.10110L44 F46 Q94 I96 T101 I110 E114L44-K103 HydrophobicContact CB-CB 4.41Å; L44-K103 PolarHBondContact N-O 3.24Å; L44-K103 PolarHBondContact O-N 2.83Å; F46-K103 HydrophobicContact CD2-CG 4.42Å; F46-K103 HydrophobicContact CE2-CB 4.15Å; F46-K103 HydrophobicContact CE2-CD 4.16Å; F46-K103 HydrophobicContact CE2-CG 4.09Å; Q94-K103 PolarHBondContact O-NZ 3.05Å; I96-K103 HydrophobicContact CD1-CD 4.25Å; T101-K103 HydrophobicContact CG2-CD 4.46Å; T101-K103 HydrophobicContact CG2-CG 3.93Å; K103-I110 HydrophobicContact CB-CG2 4.26Å; K103-I110 HydrophobicContact CD-CG2 4.03Å; K103-E114 HydrophobicContact CG-CG 4.37Å
104I96.1Very high93.3Very high4 Ų439.4 Ų39.42%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-116.3141.1174.2-171.6-178.5000109.5V41 A42 L43 L111 F127 N131V41-I104 HydrophobicContact CG1-CD1 3.81Å; V41-I104 HydrophobicContact CG1-CG1 3.98Å; A42-I104 CarbonylContact O-C 3.56Å; A42-I104 WeakPolarHBondContact O-CA 3.37Å; L43-I104 HydrophobicContact CD1-CB 4.34Å; I104-L111 HydrophobicContact CG2-CB 3.83Å; I104-L111 HydrophobicContact CG2-CD1 4.26Å; I104-L111 HydrophobicContact CG2-CD2 3.79Å; I104-L111 HydrophobicContact CG2-CG 4.14Å; I104-L111 PolarHBondContact O-N 2.95Å; I104-F127 HydrophobicContact CB-CE1 4.3Å; I104-F127 HydrophobicContact CB-CZ 4.4Å; I104-F127 HydrophobicContact CD1-CE1 3.76Å; I104-F127 HydrophobicContact CD1-CZ 4Å; I104-F127 HydrophobicContact CG1-CE1 4.39Å; I104-F127 HydrophobicContact CG2-CZ 4.39Å; I104-N131 HydrophobicContact CD1-CB 3.77Å; I104-N131 WeakPolarHBondContact CD1-OD1 3.27Å
105T95.7Very high93.2Very high0 Ų038.6 Ų38.60%017%0.172CC..EExtended strand (participates in β ladder)trans-110.4146.9167.575.90000110.5I36 V41 A42 L44 K109 I110I36-T105 HydrophobicContact CB-CG2 4.21Å; I36-T105 HydrophobicContact CD1-CG2 4.24Å; I36-T105 HydrophobicContact CG2-CG2 4.22Å; V41-T105 CarbonylContact C-O 3.5Å; V41-T105 VanDerWaalsContact CA-O 3.28Å; V41-T105 WeakPolarHBondContact CA-O 3.31Å; A42-T105 VanDerWaalsContact CB-OG1 3.29Å; A42-T105 WeakPolarHBondContact CB-OG1 3.38Å; A42-T105 PolarHBondContact N-O 3.23Å; A42-T105 PolarHBondContact N-OG1 3.08Å; A42-T105 PolarHBondContact O-N 3.4Å; L44-T105 HydrophobicContact CD1-CG2 3.39Å; L44-T105 HydrophobicContact CD2-CG2 4.03Å; L44-T105 HydrophobicContact CG-CG2 3.74Å; T105-K109 CarbonylContact C-O 3.16Å; T105-K109 WeakPolarHBondContact CA-O 3.49Å; T105-I110 HydrophobicContact CG2-CB 4.38Å; T105-I110 HydrophobicContact CG2-CG1 3.6Å
106K94.3Very high93.2Very high1 Ų132 Ų320%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-128.6125.6166.2-67.8-174173.8-162.60110.6D40 V41 G108 K109 L111 N131 A183 I184D40-K106 CarbonylContact O-C 3.56Å; D40-K106 WeakPolarHBondContact O-CA 3.4Å; V41-K106 HydrophobicContact CG2-CG 4.35Å; K106-G108 PolarHBondContact O-N 3.02Å; K106-K109 PolarHBondContact N-O 3.43Å; K106-K109 WeakPolarHBondContact O-CB 3.28Å; K106-K109 PolarHBondContact O-N 3.44Å; K106-L111 HydrophobicContact CB-CD1 3.99Å; K106-L111 HydrophobicContact CD-CD1 4.28Å; K106-L111 HydrophobicContact CD-CD2 4.47Å; K106-L111 HydrophobicContact CG-CD1 3.88Å; K106-N131 VanDerWaalsContact CE-OD1 3.23Å; K106-N131 WeakPolarHBondContact CE-OD1 3.41Å; K106-N131 PolarHBondContact NZ-O 3.1Å; K106-N131 PolarHBondContact NZ-OD1 2.68Å; K106-A183 HydrophobicContact CD-CB 4.26Å; K106-A183 WeakPolarHBondContact CD-O 3.49Å; K106-A183 WeakPolarHBondContact CE-O 3.17Å; K106-A183 PolarHBondContact NZ-O 2.97Å; K106-I184 HydrophobicContact CB-CG1 3.98Å
107Y92.3Very high93Very high77 Ų7735.9 Ų35.930%0.30217%0.167SC..THydrogen-bonded Turntrans48.745.5-177-52.4-74.4000112.3D40 K109 K180 A183 I184D40-Y107 HydrophobicContact CB-CD1 4.34Å; D40-Y107 HydrophobicContact CB-CE1 3.85Å; D40-Y107 PolarHBondContact O-N 3.29Å; D40-Y107 VanDerWaalsContact OD1-CE1 3.28Å; D40-Y107 WeakPolarHBondContact OD1-CE1 3.34Å; Y107-K109 PolarHBondContact O-N 2.84Å; Y107-K180 HydrophobicContact CD1-CD 4.27Å; Y107-K180 HydrophobicContact CD1-CG 4.05Å; Y107-K180 HydrophobicContact CD2-CB 3.89Å; Y107-K180 HydrophobicContact CD2-CG 3.96Å; Y107-K180 HydrophobicContact CE1-CG 4.05Å; Y107-K180 HydrophobicContact CE2-CB 4.11Å; Y107-K180 HydrophobicContact CE2-CG 3.98Å; Y107-K180 HydrophobicContact CG-CB 4.26Å; Y107-K180 HydrophobicContact CG-CD 4.32Å; Y107-K180 HydrophobicContact CG-CG 3.99Å; Y107-A183 HydrophobicContact CD2-CB 4.5Å; Y107-A183 HydrophobicContact CE2-CB 3.74Å; Y107-I184 HydrophobicContact CD2-CG1 4.48Å
108G93Very high93.1Very high20 Ų2037.1 Ų37.121%0.20618%0.178CC..THydrogen-bonded Turntrans72.1-0-176.900000116.6I36 K106I36-G108 WeakPolarHBondContact CD1-O 3.49Å; I36-G108 WeakPolarHBondContact O-CA 3.5Å; I36-G108 PolarHBondContact O-N 3.37Å; K106-G108 PolarHBondContact O-N 3.02Å
109K93.5Very high93.2Very high82 Ų8239.1 Ų39.136%0.35719%0.186SC..EExtended strand (participates in β ladder)trans-95.4123.7173.9-63.9-60.5-172.5-179.60110.6T105 K106 Y107 L111 I184T105-K109 CarbonylContact C-O 3.16Å; T105-K109 WeakPolarHBondContact CA-O 3.49Å; K106-K109 PolarHBondContact N-O 3.43Å; K106-K109 WeakPolarHBondContact O-CB 3.28Å; K106-K109 PolarHBondContact O-N 3.44Å; Y107-K109 PolarHBondContact O-N 2.84Å; K109-L111 WeakPolarHBondContact O-CD1 3.44Å; K109-I184 HydrophobicContact CB-CD1 4.03Å; K109-I184 HydrophobicContact CB-CG1 4.22Å; K109-I184 HydrophobicContact CB-CG2 4.23Å; K109-I184 HydrophobicContact CG-CD1 3.78Å
110I94.1Very high93.3Very high48 Ų4838.8 Ų38.825%0.24619%0.186CC..EExtended strand (participates in β ladder)trans-75.2126.2173.6-59.4165.6000108.3F32 I36 L44 Q94 K103 T105F32-I110 HydrophobicContact CE1-CD1 3.76Å; F32-I110 HydrophobicContact CZ-CD1 3.69Å; I36-I110 HydrophobicContact CD1-CD1 4.29Å; I36-I110 HydrophobicContact CD1-CG1 4.14Å; L44-I110 HydrophobicContact CD1-CD1 4.35Å; L44-I110 HydrophobicContact CD1-CG1 4.19Å; Q94-I110 VanDerWaalsContact CD-CD1 3.43Å; Q94-I110 HydrophobicContact CG-CD1 4.4Å; K103-I110 HydrophobicContact CB-CG2 4.26Å; K103-I110 HydrophobicContact CD-CG2 4.03Å; T105-I110 HydrophobicContact CG2-CB 4.38Å; T105-I110 HydrophobicContact CG2-CG1 3.6Å
111L91.9Very high93.3Very high14 Ų1440.1 Ų40.17%0.07320%0.195CC..EExtended strand (participates in β ladder)trans-73.3153.9177-81.466.7000110.1I104 K106 K109 S113I104-L111 HydrophobicContact CG2-CB 3.83Å; I104-L111 HydrophobicContact CG2-CD1 4.26Å; I104-L111 HydrophobicContact CG2-CD2 3.79Å; I104-L111 HydrophobicContact CG2-CG 4.14Å; I104-L111 PolarHBondContact O-N 2.95Å; K106-L111 HydrophobicContact CB-CD1 3.99Å; K106-L111 HydrophobicContact CD-CD1 4.28Å; K106-L111 HydrophobicContact CD-CD2 4.47Å; K106-L111 HydrophobicContact CG-CD1 3.88Å; K109-L111 WeakPolarHBondContact O-CD1 3.44Å; L111-S113 VanDerWaalsContact C-N 3.34Å
112K83.4Confident93.3Very high145 Ų14546.6 Ų46.663%0.6323%0.225SC*.EExtended strand (participates in β ladder)trans-64.5-41.4178.7-175.1-175.7173-168.70111.3E254K112-E254 IonicContact NZ-OE1 2.7Å; K112-E254 PolarHBondContact NZ-OE1 3.47Å
113S84.9Confident93.3Very high34 Ų3447.3 Ų47.324%0.23823%0.231CC..EExtended strand (participates in β ladder)trans-76.5143.3-176.251.80000112.2L111L111-S113 VanDerWaalsContact C-N 3.34Å
114E92.2Very high93.3Very high29 Ų2946.3 Ų46.314%0.13623%0.227CC..EExtended strand (participates in β ladder)trans-90156.4171.3-56.8-174159.300109.6K98 T101 I102 K103 R116K98-E114 WeakPolarHBondContact CE-OE2 3.31Å; K98-E114 IonicContact NZ-OE2 3.05Å; K98-E114 PolarHBondContact NZ-OE2 3.35Å; T101-E114 HydrophobicContact CG2-CG 4.25Å; T101-E114 VanDerWaalsContact CG2-OE1 3.27Å; T101-E114 WeakPolarHBondContact CG2-OE1 3.4Å; I102-E114 CarbonylContact O-C 3.57Å; I102-E114 WeakPolarHBondContact O-CA 3.46Å; K103-E114 HydrophobicContact CG-CG 4.37Å; E114-R116 HydrophobicContact CB-CG 4.44Å; E114-R116 PolarHBondContact O-N 2.88Å; E114-R116 IonicContact OE2-CZ 2.7Å; E114-R116 IonicContact OE2-NH1 3.96Å; E114-R116 IonicContact OE2-NH2 3.21Å
115Y93.8Very high93.3Very high6 Ų647 Ų472%0.02423%0.231CC..PPolyproline II helixtrans-72.8117.6167.6177.1-90000109.8I102 D117 E118 A123 F124 F127I102-Y115 HydrophobicContact CB-CD1 4.48Å; I102-Y115 HydrophobicContact CD1-CD1 4.02Å; I102-Y115 HydrophobicContact CG2-CD1 4.46Å; I102-Y115 HydrophobicContact CG2-CG 4.26Å; I102-Y115 PolarHBondContact O-N 2.78Å; Y115-D117 HydrophobicContact CE1-CB 4.19Å; Y115-D117 WeakPolarHBondContact CE1-O 3.25Å; Y115-D117 HydrophobicContact CE2-CB 3.8Å; Y115-E118 PolarHBondContact OH-O 3.38Å; Y115-A123 WeakPolarHBondContact OH-CB 3.38Å; Y115-F124 HydrophobicContact CD1-CD1 4.48Å; Y115-F124 AromaticContact CD1-CE1 3.68Å; Y115-F124 HydrophobicContact CD1-CE1 3.68Å; Y115-F124 HydrophobicContact CD1-CZ 4.37Å; Y115-F124 AromaticContact CE1-CD1 3.95Å; Y115-F124 HydrophobicContact CE1-CD1 3.95Å; Y115-F124 AromaticContact CE1-CE1 3.34Å; Y115-F124 HydrophobicContact CE1-CE1 3.34Å; Y115-F124 AromaticContact CE1-CZ 3.9Å; Y115-F124 HydrophobicContact CE1-CZ 3.9Å; Y115-F124 HydrophobicContact CE2-CD1 4.2Å; Y115-F124 HydrophobicContact CE2-CE1 4.31Å; Y115-F124 HydrophobicContact CG-CE1 4.26Å; Y115-F124 AromaticContact CZ-CD1 3.76Å; Y115-F124 AromaticContact CZ-CE1 3.67Å; Y115-F127 HydrophobicContact CD2-CB 4.28Å; Y115-F127 AromaticContact CD2-CD1 3.68Å; Y115-F127 HydrophobicContact CD2-CD1 3.68Å; Y115-F127 AromaticContact CD2-CD2 3.61Å; Y115-F127 HydrophobicContact CD2-CD2 3.61Å; Y115-F127 AromaticContact CD2-CE1 3.8Å; Y115-F127 HydrophobicContact CD2-CE1 3.8Å; Y115-F127 AromaticContact CD2-CE2 3.74Å; Y115-F127 HydrophobicContact CD2-CE2 3.74Å; Y115-F127 AromaticContact CD2-CG 3.58Å; Y115-F127 HydrophobicContact CD2-CG 3.58Å; Y115-F127 AromaticContact CD2-CZ 3.83Å; Y115-F127 HydrophobicContact CD2-CZ 3.83Å; Y115-F127 HydrophobicContact CE2-CB 3.64Å; Y115-F127 AromaticContact CE2-CD1 3.9Å; Y115-F127 HydrophobicContact CE2-CD1 3.9Å; Y115-F127 AromaticContact CE2-CD2 3.66Å; Y115-F127 HydrophobicContact CE2-CD2 3.66Å; Y115-F127 HydrophobicContact CE2-CE1 4.46Å; Y115-F127 HydrophobicContact CE2-CE2 4.27Å; Y115-F127 AromaticContact CE2-CG 3.45Å; Y115-F127 HydrophobicContact CE2-CG 3.45Å; Y115-F127 VanDerWaalsContact CE2-CG 3.45Å
116R90.4Very high93.3Very high35 Ų3554.2 Ų54.213%0.13226%0.263CS..  trans-121.88.1-178.4-57.5-172.1-164.5-100.2-2.7113.7E114 E249 E253 R396E114-R116 HydrophobicContact CB-CG 4.44Å; E114-R116 PolarHBondContact O-N 2.88Å; E114-R116 IonicContact OE2-CZ 2.7Å; E114-R116 IonicContact OE2-NH1 3.96Å; E114-R116 IonicContact OE2-NH2 3.21Å; R116-E249 IonicContact CZ-OE1 2.77Å; R116-E249 VanDerWaalsContact NH1-CD 3.26Å; R116-E249 IonicContact NH1-OE1 3.96Å; R116-E249 PolarHBondContact NH1-OE1 3.31Å; R116-E253 IonicContact CZ-OE2 3.9Å; R116-E253 VanDerWaalsContact CZ-OE2 3.25Å; R116-E253 IonicContact NH1-OE2 3.57Å; R116-E253 PolarHBondContact NH1-OE2 3.5Å; R116-E253 IonicContact NH2-OE2 3.45Å; R116-E253 PolarHBondContact NH2-OE2 3.44Å; R116-R396 VanDerWaalsContact O-CZ 3.31Å; R116-R396 PolarHBondContact O-NH1 3.49Å; R116-R396 PolarHBondContact O-NH2 3.16Å
117D90.8Very high93.3Very high95 Ų9555.9 Ų55.951%0.50827%0.27SS..SBendtrans-78.1179.7175.2-60.4-35.1000111.6Y115 R396Y115-D117 HydrophobicContact CE1-CB 4.19Å; Y115-D117 WeakPolarHBondContact CE1-O 3.25Å; Y115-D117 HydrophobicContact CE2-CB 3.8Å; D117-R396 PolarHBondContact O-NH2 3.01Å
118E93.1Very high93.4Very high139 Ų13952.3 Ų52.365%0.6526%0.256SS*.  trans-52.5138.9178.5-172.2-171.6150.300112.7Y115 S120 A123Y115-E118 PolarHBondContact OH-O 3.38Å; E118-S120 VanDerWaalsContact C-N 3.31Å; E118-S120 VanDerWaalsContact CD-OG 3.3Å; E118-S120 PolarHBondContact O-N 2.95Å; E118-S120 VanDerWaalsContact O-N 3.13Å; E118-S120 VanDerWaalsContact OE1-CB 3.31Å; E118-S120 WeakPolarHBondContact OE1-CB 3.45Å; E118-S120 PolarHBondContact OE1-OG 3.27Å; E118-A123 HydrophobicContact CB-CB 3.98Å; E118-A123 WeakPolarHBondContact O-CB 3.3Å
119R94.5Very high93.4Very high46 Ų4656 Ų5617%0.17427%0.268CS..  trans-90.564.7178.2-67.8177.4178.7160.23.4111.1L57 I60 P100 F124 R396L57-R119 HydrophobicContact CD1-CB 4.13Å; L57-R119 HydrophobicContact CD1-CG 4.24Å; I60-R119 WeakPolarHBondContact CD1-O 3.42Å; P100-R119 PolarHBondContact O-NH2 2.88Å; R119-F124 HydrophobicContact CG-CZ 4.49Å; R119-R396 PolarHBondContact NH1-O 3.1Å; R119-R396 PolarHBondContact NH2-O 3.03Å
120S97.1Very high93.3Very high16 Ų1654.3 Ų54.311%0.11227%0.269CS..SBendtrans-122.6160.5173.758.80000111E118 E122 A123 F124E118-S120 VanDerWaalsContact C-N 3.31Å; E118-S120 VanDerWaalsContact CD-OG 3.3Å; E118-S120 PolarHBondContact O-N 2.95Å; E118-S120 VanDerWaalsContact O-N 3.13Å; E118-S120 VanDerWaalsContact OE1-CB 3.31Å; E118-S120 WeakPolarHBondContact OE1-CB 3.45Å; E118-S120 PolarHBondContact OE1-OG 3.27Å; S120-E122 VanDerWaalsContact C-N 3.29Å; S120-E122 PolarHBondContact O-N 3.15Å; S120-A123 PolarHBondContact O-N 2.83Å; S120-A123 VanDerWaalsContact OG-CB 3.3Å; S120-A123 WeakPolarHBondContact OG-CB 3.03Å; S120-A123 PolarHBondContact OG-N 2.79Å; S120-F124 WeakPolarHBondContact O-CD2 3.07Å; S120-F124 PolarHBondContact O-N 3.25Å
121V96.9Very high93.2Very high29 Ų2952.8 Ų52.818%0.17626%0.261CS..Hα-helixtrans-58.2-46.4-179.9174.20000109.9I60 H63 A64 K67 A123 F124 V125I60-V121 HydrophobicContact CG2-CG2 4.02Å; H63-V121 HydrophobicContact CB-CG2 3.82Å; A64-V121 HydrophobicContact CB-CG1 4.42Å; K67-V121 HydrophobicContact CB-CG1 4.45Å; V121-A123 PolarHBondContact O-N 2.98Å; V121-F124 PolarHBondContact O-N 3.12Å; V121-V125 HydrophobicContact CG1-CG2 4.46Å; V121-V125 VanDerWaalsContact O-CG2 3.29Å; V121-V125 WeakPolarHBondContact O-CG2 3.23Å; V121-V125 PolarHBondContact O-N 2.96Å
122E97.6Very high93.2Very high135 Ų13555.3 Ų55.363%0.63127%0.274SS*.Hα-helixtrans-63.4-40.9-178.5-63.669.5-152.900111.6S120 V125 K126S120-E122 VanDerWaalsContact C-N 3.29Å; S120-E122 PolarHBondContact O-N 3.15Å; E122-V125 PolarHBondContact O-N 3.31Å; E122-K126 WeakPolarHBondContact O-CB 3.28Å; E122-K126 PolarHBondContact O-N 3.38Å
123A97.6Very high93.6Very high18 Ų1855.3 Ų55.315%0.14928%0.275CS..Hα-helixtrans-67.4-39.5177.900000112Y115 E118 S120 V121 F127Y115-A123 WeakPolarHBondContact OH-CB 3.38Å; E118-A123 HydrophobicContact CB-CB 3.98Å; E118-A123 WeakPolarHBondContact O-CB 3.3Å; S120-A123 PolarHBondContact O-N 2.83Å; S120-A123 VanDerWaalsContact OG-CB 3.3Å; S120-A123 WeakPolarHBondContact OG-CB 3.03Å; S120-A123 PolarHBondContact OG-N 2.79Å; V121-A123 PolarHBondContact O-N 2.98Å; A123-F127 VanDerWaalsContact O-CB 3.25Å; A123-F127 WeakPolarHBondContact O-CB 3.05Å; A123-F127 PolarHBondContact O-N 3.28Å
124F97.2Very high93.8Very high0 Ų059.1 Ų59.10%029%0.287CS..Hα-helixtrans-65.2-44.9173.3-75.2-56.4000112.2L43 L57 I60 Y61 A64 F79 I102 Y115 R119 S120 V121 K126 F127 I128L43-F124 HydrophobicContact CD2-CD1 3.54Å; L43-F124 HydrophobicContact CD2-CE1 3.84Å; L43-F124 HydrophobicContact CD2-CG 4.43Å; L57-F124 HydrophobicContact CD1-CE2 3.74Å; L57-F124 HydrophobicContact CD1-CZ 3.76Å; I60-F124 HydrophobicContact CG2-CD2 4.25Å; I60-F124 HydrophobicContact CG2-CE2 4.08Å; Y61-F124 HydrophobicContact CD2-CE2 4.47Å; Y61-F124 HydrophobicContact CD2-CZ 4.35Å; A64-F124 HydrophobicContact CB-CB 3.71Å; A64-F124 HydrophobicContact CB-CD2 3.99Å; A64-F124 HydrophobicContact CB-CG 4.18Å; F79-F124 HydrophobicContact CE1-CB 4.49Å; I102-F124 HydrophobicContact CD1-CE1 3.69Å; I102-F124 HydrophobicContact CD1-CZ 3.54Å; Y115-F124 HydrophobicContact CD1-CD1 4.48Å; Y115-F124 AromaticContact CD1-CE1 3.68Å; Y115-F124 HydrophobicContact CD1-CE1 3.68Å; Y115-F124 HydrophobicContact CD1-CZ 4.37Å; Y115-F124 AromaticContact CE1-CD1 3.95Å; Y115-F124 HydrophobicContact CE1-CD1 3.95Å; Y115-F124 AromaticContact CE1-CE1 3.34Å; Y115-F124 HydrophobicContact CE1-CE1 3.34Å; Y115-F124 AromaticContact CE1-CZ 3.9Å; Y115-F124 HydrophobicContact CE1-CZ 3.9Å; Y115-F124 HydrophobicContact CE2-CD1 4.2Å; Y115-F124 HydrophobicContact CE2-CE1 4.31Å; Y115-F124 HydrophobicContact CG-CE1 4.26Å; Y115-F124 AromaticContact CZ-CD1 3.76Å; Y115-F124 AromaticContact CZ-CE1 3.67Å; R119-F124 HydrophobicContact CG-CZ 4.49Å; S120-F124 WeakPolarHBondContact O-CD2 3.07Å; S120-F124 PolarHBondContact O-N 3.25Å; V121-F124 PolarHBondContact O-N 3.12Å; F124-K126 PolarHBondContact O-N 3.48Å; F124-F127 PolarHBondContact O-N 2.03Å; F124-I128 WeakPolarHBondContact O-CG1 3.31Å; F124-I128 PolarHBondContact O-N 3.03Å
125V95.1Very high93.8Very high18 Ų1859.3 Ų59.311%0.10929%0.291CS..Hα-helixtrans-57.3-52.5176.9170.10000110.2K67 V68 L71 V121 E122 F127 I128 E129K67-V125 HydrophobicContact CB-CG2 3.9Å; K67-V125 HydrophobicContact CG-CG2 3.82Å; V68-V125 HydrophobicContact CG2-CB 4.5Å; V68-V125 HydrophobicContact CG2-CG2 3.98Å; L71-V125 HydrophobicContact CD1-CG1 3.49Å; L71-V125 VanDerWaalsContact CD1-CG1 3.49Å; V121-V125 HydrophobicContact CG1-CG2 4.46Å; V121-V125 VanDerWaalsContact O-CG2 3.29Å; V121-V125 WeakPolarHBondContact O-CG2 3.23Å; V121-V125 PolarHBondContact O-N 2.96Å; E122-V125 PolarHBondContact O-N 3.31Å; V125-F127 VanDerWaalsContact C-N 3.28Å; V125-F127 PolarHBondContact O-N 3.01Å; V125-I128 PolarHBondContact O-N 3.37Å; V125-E129 HydrophobicContact CG1-CG 4.47Å; V125-E129 WeakPolarHBondContact O-CG 3.25Å; V125-E129 PolarHBondContact O-N 3.17Å
126K95.8Very high93.9Very high152 Ų15259.5 Ų59.566%0.66129%0.293SS*.Hα-helixtrans-58.9-39.8178.6-177.6-179.3177.1-175.50112.2E122 F124 E129 A130E122-K126 WeakPolarHBondContact O-CB 3.28Å; E122-K126 PolarHBondContact O-N 3.38Å; F124-K126 PolarHBondContact O-N 3.48Å; K126-E129 PolarHBondContact O-N 2.94Å; K126-A130 WeakPolarHBondContact O-CB 3.16Å; K126-A130 PolarHBondContact O-N 2.89Å
127F94.9Very high94.1Very high36 Ų3662.7 Ų62.716%0.15831%0.309CS..Hα-helixtrans-65-43.7177.9177.3-100.8000112.2L43 I104 Y115 A123 F124 V125 A130 N131L43-F127 HydrophobicContact CD1-CD1 4.27Å; L43-F127 HydrophobicContact CD1-CE1 3.82Å; I104-F127 HydrophobicContact CB-CE1 4.3Å; I104-F127 HydrophobicContact CB-CZ 4.4Å; I104-F127 HydrophobicContact CD1-CE1 3.76Å; I104-F127 HydrophobicContact CD1-CZ 4Å; I104-F127 HydrophobicContact CG1-CE1 4.39Å; I104-F127 HydrophobicContact CG2-CZ 4.39Å; Y115-F127 HydrophobicContact CD2-CB 4.28Å; Y115-F127 AromaticContact CD2-CD1 3.68Å; Y115-F127 HydrophobicContact CD2-CD1 3.68Å; Y115-F127 AromaticContact CD2-CD2 3.61Å; Y115-F127 HydrophobicContact CD2-CD2 3.61Å; Y115-F127 AromaticContact CD2-CE1 3.8Å; Y115-F127 HydrophobicContact CD2-CE1 3.8Å; Y115-F127 AromaticContact CD2-CE2 3.74Å; Y115-F127 HydrophobicContact CD2-CE2 3.74Å; Y115-F127 AromaticContact CD2-CG 3.58Å; Y115-F127 HydrophobicContact CD2-CG 3.58Å; Y115-F127 AromaticContact CD2-CZ 3.83Å; Y115-F127 HydrophobicContact CD2-CZ 3.83Å; Y115-F127 HydrophobicContact CE2-CB 3.64Å; Y115-F127 AromaticContact CE2-CD1 3.9Å; Y115-F127 HydrophobicContact CE2-CD1 3.9Å; Y115-F127 AromaticContact CE2-CD2 3.66Å; Y115-F127 HydrophobicContact CE2-CD2 3.66Å; Y115-F127 HydrophobicContact CE2-CE1 4.46Å; Y115-F127 HydrophobicContact CE2-CE2 4.27Å; Y115-F127 AromaticContact CE2-CG 3.45Å; Y115-F127 HydrophobicContact CE2-CG 3.45Å; Y115-F127 VanDerWaalsContact CE2-CG 3.45Å; A123-F127 VanDerWaalsContact O-CB 3.25Å; A123-F127 WeakPolarHBondContact O-CB 3.05Å; A123-F127 PolarHBondContact O-N 3.28Å; F124-F127 PolarHBondContact O-N 2.03Å; V125-F127 VanDerWaalsContact C-N 3.28Å; V125-F127 PolarHBondContact O-N 3.01Å; F127-A130 PolarHBondContact O-N 3.27Å; F127-N131 VanDerWaalsContact CE2-ND2 3.34Å; F127-N131 WeakPolarHBondContact CE2-ND2 3.41Å; F127-N131 VanDerWaalsContact CZ-ND2 3.3Å; F127-N131 WeakPolarHBondContact CZ-ND2 3.46Å; F127-N131 PolarHBondContact O-N 2.98Å; F127-N131 PolarHBondContact O-ND2 2.87Å
128I93.9Very high94.4Very high1 Ų161.7 Ų61.71%0.00530%0.303CS..Hα-helixtrans-63.8-47.2175.3-68.3-58.7000110.8V41 L43 V68 V77 F79 F124 V125 A130 N131 L132V41-I128 HydrophobicContact CG1-CD1 4.15Å; L43-I128 HydrophobicContact CB-CD1 4.41Å; V68-I128 HydrophobicContact CG1-CG2 3.81Å; V68-I128 HydrophobicContact CG2-CB 4.22Å; V68-I128 HydrophobicContact CG2-CG1 4.2Å; V68-I128 HydrophobicContact CG2-CG2 4.34Å; V77-I128 HydrophobicContact CG1-CD1 4.22Å; V77-I128 HydrophobicContact CG1-CG2 3.93Å; V77-I128 HydrophobicContact CG2-CG2 4.1Å; F79-I128 HydrophobicContact CE2-CG1 4.16Å; F79-I128 HydrophobicContact CZ-CG1 3.99Å; F124-I128 WeakPolarHBondContact O-CG1 3.31Å; F124-I128 PolarHBondContact O-N 3.03Å; V125-I128 PolarHBondContact O-N 3.37Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 3.47Å; I128-N131 CarbonylContact O-C 3.5Å; I128-N131 PolarHBondContact O-N 2.84Å; I128-L132 HydrophobicContact CG2-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CG 4.24Å; I128-L132 WeakPolarHBondContact O-CG 3.29Å; I128-L132 PolarHBondContact O-N 2.83Å
129E92.7Very high94.5Very high99 Ų9956.7 Ų56.746%0.46328%0.28SS..Hα-helixtrans-56.4-43.3176.8-72.3-179147.600111.7V125 K126 N131 L132 K133V125-E129 HydrophobicContact CG1-CG 4.47Å; V125-E129 WeakPolarHBondContact O-CG 3.25Å; V125-E129 PolarHBondContact O-N 3.17Å; K126-E129 PolarHBondContact O-N 2.94Å; E129-N131 VanDerWaalsContact C-N 3.31Å; E129-N131 PolarHBondContact O-N 3.45Å; E129-L132 PolarHBondContact O-N 2.89Å; E129-K133 PolarHBondContact O-N 2.72Å
130A92.1Very high94.6Very high45 Ų4556.9 Ų56.937%0.37228%0.284SS..Hα-helixtrans-62.7-36.6175.600000112.5K126 F127 I128K126-A130 WeakPolarHBondContact O-CB 3.16Å; K126-A130 PolarHBondContact O-N 2.89Å; F127-A130 PolarHBondContact O-N 3.27Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 3.47Å
131N92.1Very high94.4Very high17 Ų1756.2 Ų56.29%0.09128%0.281CS..Hα-helixtrans-79.6-17.6179.7-83.2-78.4000114.6I104 K106 F127 I128 E129 Q186I104-N131 HydrophobicContact CD1-CB 3.77Å; I104-N131 WeakPolarHBondContact CD1-OD1 3.27Å; K106-N131 VanDerWaalsContact CE-OD1 3.23Å; K106-N131 WeakPolarHBondContact CE-OD1 3.41Å; K106-N131 PolarHBondContact NZ-O 3.1Å; K106-N131 PolarHBondContact NZ-OD1 2.68Å; F127-N131 VanDerWaalsContact CE2-ND2 3.34Å; F127-N131 WeakPolarHBondContact CE2-ND2 3.41Å; F127-N131 VanDerWaalsContact CZ-ND2 3.3Å; F127-N131 WeakPolarHBondContact CZ-ND2 3.46Å; F127-N131 PolarHBondContact O-N 2.98Å; F127-N131 PolarHBondContact O-ND2 2.87Å; I128-N131 CarbonylContact O-C 3.5Å; I128-N131 PolarHBondContact O-N 2.84Å; E129-N131 VanDerWaalsContact C-N 3.31Å; E129-N131 PolarHBondContact O-N 3.45Å; N131-Q186 PolarHBondContact OD1-NE2 2.85Å
132L90.9Very high94.3Very high66 Ų6662 Ų6235%0.34631%0.305SS..Hα-helixtrans-84.5-15.2172.7-74173.7000113.6V41 T72 V77 I128 E129 F134V41-L132 HydrophobicContact CG2-CD2 3.85Å; T72-L132 HydrophobicContact CG2-CD1 3.71Å; V77-L132 HydrophobicContact CG2-CD1 3.9Å; V77-L132 HydrophobicContact CG2-CD2 3.81Å; V77-L132 HydrophobicContact CG2-CG 4.22Å; I128-L132 HydrophobicContact CG2-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CG 4.24Å; I128-L132 WeakPolarHBondContact O-CG 3.29Å; I128-L132 PolarHBondContact O-N 2.83Å; E129-L132 PolarHBondContact O-N 2.89Å; L132-F134 PolarHBondContact O-N 2.77Å
133K91.3Very high94.2Very high146 Ų14664.4 Ų64.464%0.63531%0.309SS*.SBendtrans-59.4139.5175.9-73.6175.8-176.7178.30110.3E129 P135E129-K133 PolarHBondContact O-N 2.72Å; K133-P135 WeakPolarHBondContact O-CD 3.25Å
134F90.7Very high94.1Very high114 Ų11464.8 Ų64.850%0.531%0.312SS..  trans-67.8118175.3-173.4-116.7000109.5L132 V136 I138 K179L132-F134 PolarHBondContact O-N 2.77Å; F134-V136 VanDerWaalsContact C-N 3.3Å; F134-V136 HydrophobicContact CD1-CB 4.31Å; F134-V136 WeakPolarHBondContact CD1-O 3.19Å; F134-V136 HydrophobicContact CE1-CB 3.65Å; F134-V136 HydrophobicContact CE1-CG2 4.49Å; F134-V136 WeakPolarHBondContact CE1-O 3.4Å; F134-V136 HydrophobicContact CE2-CB 4.36Å; F134-V136 HydrophobicContact CE2-CG2 4.36Å; F134-V136 HydrophobicContact CZ-CB 3.68Å; F134-V136 HydrophobicContact CZ-CG2 4.1Å; F134-V136 PolarHBondContact O-N 3.1Å; F134-I138 HydrophobicContact CE1-CD1 3.87Å; F134-I138 HydrophobicContact CE1-CG1 4.12Å; F134-I138 HydrophobicContact CZ-CD1 4.23Å; F134-K179 HydrophobicContact CE2-CB 4.24Å; F134-K179 HydrophobicContact CE2-CD 4.09Å; F134-K179 HydrophobicContact CE2-CG 3.85Å; F134-K179 HydrophobicContact CZ-CD 4.22Å; F134-K179 HydrophobicContact CZ-CG 3.97Å
135P91.2Very high93.9Very high33 Ų3367.8 Ų67.821%0.21433%0.328CS..  trans-88.32.3-16837.1-39.5000113.4K133 A182 A183 Q186K133-P135 WeakPolarHBondContact O-CD 3.25Å; P135-A182 HydrophobicContact CG-CB 4.08Å; P135-A183 HydrophobicContact CG-CB 4.11Å; P135-Q186 HydrophobicContact CB-CB 3.87Å
136V96.1Very high93.8Very high10 Ų1067.1 Ų67.16%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-110.9126.8-172.2-1730000110.2F134 F178 A182 F191 I193F134-V136 VanDerWaalsContact C-N 3.3Å; F134-V136 HydrophobicContact CD1-CB 4.31Å; F134-V136 WeakPolarHBondContact CD1-O 3.19Å; F134-V136 HydrophobicContact CE1-CB 3.65Å; F134-V136 HydrophobicContact CE1-CG2 4.49Å; F134-V136 WeakPolarHBondContact CE1-O 3.4Å; F134-V136 HydrophobicContact CE2-CB 4.36Å; F134-V136 HydrophobicContact CE2-CG2 4.36Å; F134-V136 HydrophobicContact CZ-CB 3.68Å; F134-V136 HydrophobicContact CZ-CG2 4.1Å; F134-V136 PolarHBondContact O-N 3.1Å; V136-F178 HydrophobicContact CG1-CE1 4.34Å; V136-A182 HydrophobicContact CG2-CB 3.41Å; V136-A182 VanDerWaalsContact CG2-CB 3.41Å; V136-F191 WeakPolarHBondContact CA-O 3.04Å; V136-F191 HydrophobicContact CB-CB 4.48Å; V136-F191 HydrophobicContact CG1-CB 4.41Å; V136-F191 HydrophobicContact CG2-CB 3.98Å; V136-I193 HydrophobicContact CG1-CB 4.25Å; V136-I193 HydrophobicContact CG1-CD1 3.63Å; V136-I193 HydrophobicContact CG1-CG1 3.59Å
137E94.9Very high93.6Very high101 Ų10165.5 Ų65.547%0.47232%0.318SS..EExtended strand (participates in β ladder)trans-86.3125169.4-172.8-177.5138.900109.7I139 F191 Y192 I193E137-I139 HydrophobicContact CG-CG1 4.44Å; E137-F191 PolarHBondContact N-O 2.73Å; E137-Y192 HydrophobicContact CB-CD1 3.64Å; E137-Y192 HydrophobicContact CB-CE1 3.74Å; E137-Y192 VanDerWaalsContact CD-CE1 3.48Å; E137-Y192 HydrophobicContact CG-CD1 4.14Å; E137-Y192 HydrophobicContact CG-CE1 4.11Å; E137-Y192 CarbonylContact O-C 3.38Å; E137-Y192 VanDerWaalsContact O-CA 3.26Å; E137-Y192 WeakPolarHBondContact O-CA 3.44Å; E137-Y192 VanDerWaalsContact OE2-CE1 3.25Å; E137-Y192 WeakPolarHBondContact OE2-CE1 3.39Å; E137-I193 PolarHBondContact O-N 2.87Å
138I96.6Very high93.4Very high75 Ų7570.8 Ų70.839%0.38534%0.341SS..EExtended strand (participates in β ladder)trans-101.3126-178.7-58.4177.8000109.2F134 L170 I193 Y195F134-I138 HydrophobicContact CE1-CD1 3.87Å; F134-I138 HydrophobicContact CE1-CG1 4.12Å; F134-I138 HydrophobicContact CZ-CD1 4.23Å; I138-L170 HydrophobicContact CG2-CD1 4.11Å; I138-L170 HydrophobicContact CG2-CD2 3.98Å; I138-I193 CarbonylContact C-O 3.59Å; I138-I193 WeakPolarHBondContact CA-O 3.49Å; I138-I193 HydrophobicContact CG1-CB 4.41Å; I138-I193 HydrophobicContact CG1-CD1 4.49Å; I138-Y195 HydrophobicContact CG2-CD1 3.53Å; I138-Y195 HydrophobicContact CG2-CE1 3.73Å
139I95.6Very high93.3Very high33 Ų3371.7 Ų71.717%0.16935%0.346CS..EExtended strand (participates in β ladder)trans-121.5131.3-176.5-60.6167.5000108.7E137 W153 Y192 I193 N194 Y195E137-I139 HydrophobicContact CG-CG1 4.44Å; I139-W153 HydrophobicContact CD1-CZ2 3.68Å; I139-Y192 HydrophobicContact CD1-CD1 3.83Å; I139-Y192 HydrophobicContact CD1-CE1 4.49Å; I139-I193 PolarHBondContact N-O 3.44Å; I139-N194 WeakPolarHBondContact O-CA 3.39Å; I139-N194 PolarHBondContact O-OD1 3.31Å; I139-Y195 WeakPolarHBondContact O-CD1 3.38Å; I139-Y195 PolarHBondContact O-N 2.81Å
140N96Very high93.2Very high50 Ų5068.1 Ų68.127%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-79.3122.6173.1-165.8-35.3000109.7H142 Y195 N196N140-H142 VanDerWaalsContact C-N 3.3Å; N140-H142 PolarHBondContact O-CD2 3.43Å; N140-H142 PolarHBondContact O-NE2 2.87Å; N140-H142 PolarHBondContact OD1-N 3.39Å; N140-Y195 VanDerWaalsContact CA-CE1 3.47Å; N140-Y195 HydrophobicContact CB-CD1 4.49Å; N140-Y195 HydrophobicContact CB-CE1 3.68Å; N140-Y195 PolarHBondContact ND2-OH 3.31Å; N140-N196 PolarHBondContact OD1-ND2 2.79Å
141G94Very high93Very high3 Ų371 Ų713%0.03134%0.339CS..  trans-82.5-4.3179.800000114.6R143 A144 N194 Y195G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 2.98Å; G141-A144 WeakPolarHBondContact O-CB 3.22Å; G141-A144 PolarHBondContact O-N 3.27Å; G141-N194 WeakPolarHBondContact CA-OD1 3.39Å; G141-N194 PolarHBondContact N-OD1 2.86Å; G141-N194 VanDerWaalsContact N-OD1 3.1Å; G141-Y195 WeakPolarHBondContact CA-O 3.26Å; G141-Y195 PolarHBondContact N-O 3.09Å
142H95Very high92.8Very high150 Ų15073.4 Ų73.469%0.69436%0.357SS*.THydrogen-bonded Turntrans52.739.1174.4-58.8-68.8000114.6N140 A144N140-H142 VanDerWaalsContact C-N 3.3Å; N140-H142 PolarHBondContact O-CD2 3.43Å; N140-H142 PolarHBondContact O-NE2 2.87Å; N140-H142 PolarHBondContact OD1-N 3.39Å; H142-A144 PolarHBondContact O-N 3.48Å
143R95.3Very high92.5Very high186 Ų18670.5 Ų70.570%0.70234%0.342SS*.THydrogen-bonded Turntrans6020.1-175-62.9-172.6-85.1-120.31.8114.3G141 N196 T198G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 2.98Å; R143-N196 WeakPolarHBondContact CA-O 3.48Å; R143-N196 VanDerWaalsContact CG-OD1 3.28Å; R143-N196 WeakPolarHBondContact CG-OD1 3.33Å; R143-N196 PolarHBondContact N-O 2.83Å; R143-T198 PolarHBondContact O-OG1 3.05Å
144A94.4Very high91.9Very high26 Ų2665.8 Ų65.822%0.21533%0.325CS..  trans-63.9153.3172.700000111.2G141 H142 I149 L197 T198G141-A144 WeakPolarHBondContact O-CB 3.22Å; G141-A144 PolarHBondContact O-N 3.27Å; H142-A144 PolarHBondContact O-N 3.48Å; A144-I149 HydrophobicContact CB-CD1 3.8Å; A144-I149 HydrophobicContact CB-CG1 4.04Å; A144-L197 HydrophobicContact CB-CD2 4.45Å; A144-L197 WeakPolarHBondContact O-CA 3.12Å; A144-L197 WeakPolarHBondContact O-CD2 3.19Å; A144-T198 PolarHBondContact O-N 3.01Å
145N94.1Very high91.3Very high63 Ų6367 Ų6734%0.33734%0.337SS..  trans-66.6136.6164.7174-14.2000108E147 K148 I149N145-E147 PolarHBondContact ND2-OE2 2.95Å; N145-E147 PolarHBondContact O-N 3.15Å; N145-E147 VanDerWaalsContact O-N 3.13Å; N145-E147 PolarHBondContact OD1-N 3.29Å; N145-K148 HydrophobicContact CB-CG 4.49Å; N145-K148 WeakPolarHBondContact O-CB 3.24Å; N145-K148 PolarHBondContact O-N 2.82Å; N145-I149 PolarHBondContact O-N 2.66Å
146P92.1Very high90.4Very high3 Ų369.6 Ų69.62%0.01935%0.345CS..Hα-helixtrans-40.4-43.5169.9-33.636000115.2K148 I149 L150 L166 L197 T198 M199P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.21Å; P146-I149 WeakPolarHBondContact O-CB 3.37Å; P146-I149 PolarHBondContact O-N 3.06Å; P146-I149 VanDerWaalsContact O-N 3.07Å; P146-L150 WeakPolarHBondContact O-CG 3.38Å; P146-L150 PolarHBondContact O-N 2.71Å; P146-L166 HydrophobicContact CB-CD1 4.25Å; P146-L197 HydrophobicContact CG-CB 4.44Å; P146-L197 HydrophobicContact CG-CD1 4.33Å; P146-T198 WeakPolarHBondContact CD-O 3.36Å; P146-M199 HydrophobicContact CG-CB 3.76Å; P146-M199 HydrophobicContact CG-CE 3.86Å; P146-M199 HydrophobicContact CG-CG 4.31Å; P146-M199 HydrophobicContact CG-SD 3.65Å
147E91.7Very high88.8Confident118 Ų11875 Ų7555%0.55138%0.383SS*.Hα-helixtrans-58.8-43.8-179.4-68.6158.8175.400111.9N145 I149 L150 D151N145-E147 PolarHBondContact ND2-OE2 2.95Å; N145-E147 PolarHBondContact O-N 3.15Å; N145-E147 VanDerWaalsContact O-N 3.13Å; N145-E147 PolarHBondContact OD1-N 3.29Å; E147-I149 VanDerWaalsContact C-N 3.29Å; E147-I149 PolarHBondContact O-N 3.06Å; E147-L150 PolarHBondContact O-N 3.18Å; E147-L150 VanDerWaalsContact O-N 3.15Å; E147-D151 VanDerWaalsContact O-CG 3.29Å; E147-D151 PolarHBondContact O-N 3.48Å
148K91.1Very high87.4Confident147 Ų14771.3 Ų71.364%0.63937%0.367SS*.Hα-helixtrans-64.7-34.6176.6-64.8-173.9176.9-177.50112.4N145 P146 S152N145-K148 HydrophobicContact CB-CG 4.49Å; N145-K148 WeakPolarHBondContact O-CB 3.24Å; N145-K148 PolarHBondContact O-N 2.82Å; P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.21Å; K148-S152 WeakPolarHBondContact O-CB 3.48Å; K148-S152 PolarHBondContact O-N 2.53Å
149I91.1Very high86Confident20 Ų2074.8 Ų74.810%0.10338%0.382CS..Hα-helixtrans-64.8-45.7174.4-66.1-58.4000110.2A144 N145 P146 E147 D151 S152 W153 L164 L166 N194 L197A144-I149 HydrophobicContact CB-CD1 3.8Å; A144-I149 HydrophobicContact CB-CG1 4.04Å; N145-I149 PolarHBondContact O-N 2.66Å; P146-I149 WeakPolarHBondContact O-CB 3.37Å; P146-I149 PolarHBondContact O-N 3.06Å; P146-I149 VanDerWaalsContact O-N 3.07Å; E147-I149 VanDerWaalsContact C-N 3.29Å; E147-I149 PolarHBondContact O-N 3.06Å; I149-D151 VanDerWaalsContact C-N 3.35Å; I149-S152 PolarHBondContact O-N 3.47Å; I149-W153 WeakPolarHBondContact O-CB 3.31Å; I149-W153 VanDerWaalsContact O-CD1 3.29Å; I149-W153 PolarHBondContact O-N 3.24Å; I149-L164 HydrophobicContact CG2-CD2 4.48Å; I149-L166 HydrophobicContact CG2-CD2 3.92Å; I149-N194 HydrophobicContact CG2-CB 4.3Å; I149-N194 WeakPolarHBondContact CG2-ND2 3.16Å; I149-L197 HydrophobicContact CD1-CD2 4.04Å; I149-L197 HydrophobicContact CG1-CD1 4.48Å; I149-L197 HydrophobicContact CG1-CD2 3.5Å; I149-L197 VanDerWaalsContact CG1-CD2 3.5Å
150L90.1Very high84.9Confident24 Ų2476 Ų7613%0.12639%0.391CS..Hα-helixtrans-62.1-44.2179-62.9-175.8000111P146 E147 S152 W153 V154 L164 L166 A205 V214P146-L150 WeakPolarHBondContact O-CG 3.38Å; P146-L150 PolarHBondContact O-N 2.71Å; E147-L150 PolarHBondContact O-N 3.18Å; E147-L150 VanDerWaalsContact O-N 3.15Å; L150-S152 PolarHBondContact O-N 3.5Å; L150-W153 WeakPolarHBondContact O-CB 3.39Å; L150-W153 PolarHBondContact O-N 2.9Å; L150-W153 VanDerWaalsContact O-N 3.11Å; L150-V154 WeakPolarHBondContact O-CG2 3.43Å; L150-V154 PolarHBondContact O-N 3.44Å; L150-L164 HydrophobicContact CD2-CD2 3.7Å; L150-L166 HydrophobicContact CD1-CD1 4.38Å; L150-L166 HydrophobicContact CD2-CD1 3.79Å; L150-L166 HydrophobicContact CD2-CD2 4.32Å; L150-L166 HydrophobicContact CG-CD1 4.25Å; L150-A205 HydrophobicContact CD2-CB 4.45Å; L150-V214 HydrophobicContact CB-CB 4.33Å; L150-V214 HydrophobicContact CB-CG2 4.02Å; L150-V214 HydrophobicContact CD1-CB 4.5Å; L150-V214 HydrophobicContact CD1-CG1 3.93Å; L150-V214 HydrophobicContact CD2-CB 4.23Å; L150-V214 HydrophobicContact CD2-CG1 3.64Å; L150-V214 HydrophobicContact CD2-CG2 3.9Å; L150-V214 HydrophobicContact CG-CG1 4.19Å; L150-V214 HydrophobicContact CG-CG2 4.43Å
151D88.7Confident84.2Confident106 Ų10676.6 Ų76.657%0.56739%0.391SS*.Hα-helixtrans-61.7-41.1176.1-65.8-22.1000112.3E147 I149 W153 V154 N155E147-D151 VanDerWaalsContact O-CG 3.29Å; E147-D151 PolarHBondContact O-N 3.48Å; I149-D151 VanDerWaalsContact C-N 3.35Å; D151-W153 VanDerWaalsContact C-N 3.28Å; D151-W153 PolarHBondContact O-N 3.4Å; D151-V154 WeakPolarHBondContact O-CB 3.48Å; D151-V154 PolarHBondContact O-N 3.4Å; D151-N155 PolarHBondContact O-ND2 3.34Å
152S87.4Confident84.1Confident67 Ų6776.5 Ų76.547%0.46939%0.39SS..Hα-helixtrans-64.8-34.5174.5174.60000112.4K148 I149 L150 N155K148-S152 WeakPolarHBondContact O-CB 3.48Å; K148-S152 PolarHBondContact O-N 2.53Å; I149-S152 PolarHBondContact O-N 3.47Å; L150-S152 PolarHBondContact O-N 3.5Å; S152-N155 PolarHBondContact O-N 3.08Å
153W84.7Confident84.1Confident5 Ų569.3 Ų69.32%0.01936%0.357CS..Hα-helixtrans-72.9-34.7179.5-9876.1000112.7I139 I149 L150 D151 N155 K156 V158 L164 Y192 Y207I139-W153 HydrophobicContact CD1-CZ2 3.68Å; I149-W153 WeakPolarHBondContact O-CB 3.31Å; I149-W153 VanDerWaalsContact O-CD1 3.29Å; I149-W153 PolarHBondContact O-N 3.24Å; L150-W153 WeakPolarHBondContact O-CB 3.39Å; L150-W153 PolarHBondContact O-N 2.9Å; L150-W153 VanDerWaalsContact O-N 3.11Å; D151-W153 VanDerWaalsContact C-N 3.28Å; D151-W153 PolarHBondContact O-N 3.4Å; W153-N155 PolarHBondContact O-N 3.17Å; W153-N155 VanDerWaalsContact O-N 3.13Å; W153-K156 PolarHBondContact O-N 3.09Å; W153-V158 HydrophobicContact CZ3-CG2 4.31Å; W153-L164 HydrophobicContact CD2-CD2 4.3Å; W153-L164 HydrophobicContact CG-CD2 4.37Å; W153-L164 HydrophobicContact CZ2-CD1 4.14Å; W153-Y192 AromaticContact CH2-CD1 3.43Å; W153-Y192 HydrophobicContact CH2-CD1 3.43Å; W153-Y192 VanDerWaalsContact CH2-CD1 3.43Å; W153-Y192 AromaticContact CH2-CD2 3.43Å; W153-Y192 HydrophobicContact CH2-CD2 3.43Å; W153-Y192 VanDerWaalsContact CH2-CD2 3.43Å; W153-Y192 AromaticContact CH2-CE1 3.64Å; W153-Y192 HydrophobicContact CH2-CE1 3.64Å; W153-Y192 AromaticContact CH2-CE2 3.67Å; W153-Y192 HydrophobicContact CH2-CE2 3.67Å; W153-Y192 AromaticContact CH2-CG 3.32Å; W153-Y192 HydrophobicContact CH2-CG 3.32Å; W153-Y192 AromaticContact CH2-CZ 3.78Å; W153-Y192 AromaticContact CZ2-CD1 3.62Å; W153-Y192 HydrophobicContact CZ2-CD1 3.62Å; W153-Y192 HydrophobicContact CZ2-CD2 4.27Å; W153-Y192 HydrophobicContact CZ2-CE1 4.12Å; W153-Y192 AromaticContact CZ2-CG 3.7Å; W153-Y192 HydrophobicContact CZ2-CG 3.7Å; W153-Y192 HydrophobicContact CZ3-CD2 4.18Å; W153-Y192 HydrophobicContact CZ3-CE2 4.26Å; W153-Y192 HydrophobicContact CZ3-CG 4.43Å; W153-Y207 HydrophobicContact CE3-CG 4.43Å
154V80.3Confident84.1Confident48 Ų4860.6 Ų60.629%0.29132%0.324SS..Hα-helixtrans-50.2-35.2172162.40000112.2L150 D151 Y207 S212 V214L150-V154 WeakPolarHBondContact O-CG2 3.43Å; L150-V154 PolarHBondContact O-N 3.44Å; D151-V154 WeakPolarHBondContact O-CB 3.48Å; D151-V154 PolarHBondContact O-N 3.4Å; V154-Y207 PolarHBondContact O-OH 3.42Å; V154-S212 VanDerWaalsContact CG1-O 3.31Å; V154-S212 WeakPolarHBondContact CG1-O 3.36Å; V154-V214 HydrophobicContact CG2-CG2 4.23Å
155N76.2Confident84.2Confident138 Ų13859.4 Ų59.474%0.73831%0.314SS*.THydrogen-bonded Turntrans-88-3.4-178.7-61.8-34.5000114.9D151 S152 W153D151-N155 PolarHBondContact O-ND2 3.34Å; S152-N155 PolarHBondContact O-N 3.08Å; W153-N155 PolarHBondContact O-N 3.17Å; W153-N155 VanDerWaalsContact O-N 3.13Å
156K73.9Confident84.3Confident89 Ų8956.4 Ų56.439%0.38730%0.298SS..SBendtrans-82.1133.9175.9-76.5-171.9173-174.20110.2W153 V158 Y207W153-K156 PolarHBondContact O-N 3.09Å; K156-V158 HydrophobicContact CB-CG2 4.03Å; K156-V158 PolarHBondContact O-N 3.13Å; K156-Y207 PolarHBondContact O-OH 2.76Å
157S61.8Low84.6Confident123 Ų12356.2 Ų56.286%0.8630%0.297SS*.  trans-72.399.8168.8600000109.3
158V65.6Low84.8Confident24 Ų2453.5 Ų53.515%0.14529%0.286CS..  trans-112.5126.7174.1-167.80000108.5W153 K156 T160 C162 Y207 T209W153-V158 HydrophobicContact CZ3-CG2 4.31Å; K156-V158 HydrophobicContact CB-CG2 4.03Å; K156-V158 PolarHBondContact O-N 3.13Å; V158-T160 WeakPolarHBondContact CG1-O 3.5Å; V158-C162 WeakPolarHBondContact CG1-SG 3.28Å; V158-Y207 HydrophobicContact CB-CD1 3.91Å; V158-Y207 HydrophobicContact CB-CE1 3.69Å; V158-Y207 HydrophobicContact CG1-CD1 4.45Å; V158-Y207 HydrophobicContact CG2-CD1 4.01Å; V158-Y207 HydrophobicContact CG2-CE1 3.78Å; V158-T209 HydrophobicContact CB-CG2 3.96Å; V158-T209 HydrophobicContact CG1-CG2 4.09Å; V158-T209 WeakPolarHBondContact O-CB 3.4Å; V158-T209 WeakPolarHBondContact O-CG2 3.37Å
159E66.2Low85Confident148 Ų14851.7 Ų51.769%0.69228%0.28SS*.SBendtrans-85.2-16.7-173.7-59.8-172.5131.800113.8K268E159-K268 IonicContact OE1-NZ 2.87Å; E159-K268 PolarHBondContact OE1-NZ 2.77Å
160T73.5Confident85.2Confident59 Ų5952.7 Ų52.736%0.36229%0.285SS..SBendtrans-134148.5-173.257.10000111.3V158 C162 K190 T209V158-T160 WeakPolarHBondContact CG1-O 3.5Å; T160-C162 PolarHBondContact O-N 2.91Å; T160-C162 PolarHBondContact O-SG 2.7Å; T160-K190 VanDerWaalsContact OG1-CD 3.29Å; T160-K190 WeakPolarHBondContact OG1-CD 3.36Å; T160-K190 VanDerWaalsContact OG1-CE 3.22Å; T160-K190 WeakPolarHBondContact OG1-CE 3.18Å; T160-T209 WeakPolarHBondContact O-CG2 3.5Å
161K81.7Confident85.5Confident62 Ų6258.8 Ų58.827%0.2732%0.318SS..  trans-48.7135.7173.3-73-174.7179.6-175.70111.4K190 Q235 N237K161-K190 PolarHBondContact O-N 3.11Å; K161-Q235 PolarHBondContact NZ-O 2.91Å; K161-N237 PolarHBondContact NZ-O 3.07Å
162C90.9Very high85.7Confident0 Ų055.3 Ų55.30%030%0.301CS..EExtended strand (participates in β ladder)trans-128147.3-179.5-62.20000112V158 T160 K190 Y192 T206 Y207V158-C162 WeakPolarHBondContact CG1-SG 3.28Å; T160-C162 PolarHBondContact O-N 2.91Å; T160-C162 PolarHBondContact O-SG 2.7Å; C162-K190 CarbonylContact C-O 3.52Å; C162-K190 VanDerWaalsContact CA-O 3.25Å; C162-K190 WeakPolarHBondContact CA-O 3.21Å; C162-Y192 HydrophobicContact CB-CD2 4.08Å; C162-Y192 HydrophobicContact CB-CE2 3.97Å; C162-T206 CarbonylContact O-C 3.56Å; C162-T206 WeakPolarHBondContact O-CA 3.37Å; C162-Y207 PolarHBondContact N-O 3.26Å; C162-Y207 PolarHBondContact O-N 2.77Å
163I94.9Very high86.1Confident0 Ų056.1 Ų56.10%031%0.306CS..EExtended strand (participates in β ladder)trans-108.3128.1169-53.8-60.1000108.6F178 C189 K190 F191 Y192 T206 W231 V232 Q235I163-F178 HydrophobicContact CG2-CE2 3.67Å; I163-F178 HydrophobicContact CG2-CZ 4Å; I163-C189 HydrophobicContact CG1-CB 4.11Å; I163-K190 PolarHBondContact N-O 2.75Å; I163-F191 HydrophobicContact CB-CD1 3.73Å; I163-F191 HydrophobicContact CB-CE1 3.75Å; I163-F191 HydrophobicContact CG1-CD1 4.22Å; I163-F191 HydrophobicContact CG1-CE1 3.73Å; I163-F191 HydrophobicContact CG1-CZ 4.38Å; I163-F191 HydrophobicContact CG2-CD1 4.3Å; I163-F191 HydrophobicContact CG2-CE1 4.33Å; I163-F191 WeakPolarHBondContact O-CA 3.05Å; I163-Y192 PolarHBondContact O-N 3.21Å; I163-T206 HydrophobicContact CD1-CG2 4.11Å; I163-W231 HydrophobicContact CD1-CH2 4.29Å; I163-W231 HydrophobicContact CD1-CZ3 4.13Å; I163-W231 HydrophobicContact CG2-CH2 4.32Å; I163-W231 HydrophobicContact CG2-CZ3 3.76Å; I163-V232 HydrophobicContact CG1-CG1 4.3Å; I163-V232 HydrophobicContact CG2-CG2 4.29Å; I163-Q235 HydrophobicContact CD1-CB 3.72Å; I163-Q235 HydrophobicContact CD1-CG 4.36Å
164L95.2Very high86.7Confident3 Ų357.4 Ų57.42%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-114.3118.7-178.9-178.461.6000109.5I149 L150 W153 L166 N194 L204 A205I149-L164 HydrophobicContact CG2-CD2 4.48Å; L150-L164 HydrophobicContact CD2-CD2 3.7Å; W153-L164 HydrophobicContact CD2-CD2 4.3Å; W153-L164 HydrophobicContact CG-CD2 4.37Å; W153-L164 HydrophobicContact CZ2-CD1 4.14Å; L164-L166 HydrophobicContact CD1-CD2 4.4Å; L164-L166 HydrophobicContact CD2-CD2 3.68Å; L164-L166 HydrophobicContact CD2-CG 4.32Å; L164-L166 HydrophobicContact CG-CD2 3.8Å; L164-L166 HydrophobicContact CG-CG 4.17Å; L164-N194 HydrophobicContact CD1-CB 4.12Å; L164-L204 CarbonylContact O-C 3.59Å; L164-L204 WeakPolarHBondContact O-CA 3.48Å; L164-A205 PolarHBondContact N-O 3.14Å; L164-A205 PolarHBondContact O-N 2.93Å
165A97.3Very high87.4Confident0 Ų055.1 Ų55.10%030%0.298CS..EExtended strand (participates in β ladder)trans-87.7130.4164.100000109.7M175 F178 Y192 I193 N194 R203 L204A165-M175 HydrophobicContact CB-CE 3.97Å; A165-M175 HydrophobicContact CB-SD 4.05Å; A165-F178 HydrophobicContact CB-CD1 3.86Å; A165-F178 HydrophobicContact CB-CD2 4.43Å; A165-F178 HydrophobicContact CB-CE1 3.64Å; A165-F178 HydrophobicContact CB-CE2 4.24Å; A165-F178 HydrophobicContact CB-CG 4.24Å; A165-F178 HydrophobicContact CB-CZ 3.83Å; A165-Y192 PolarHBondContact N-O 2.9Å; A165-I193 HydrophobicContact CB-CB 4.5Å; A165-I193 HydrophobicContact CB-CG1 3.97Å; A165-N194 PolarHBondContact O-N 3.05Å; A165-R203 WeakPolarHBondContact CA-O 3.21Å; A165-L204 HydrophobicContact CB-CD2 3.66Å
166L96.5Very high88.3Confident0 Ų052.5 Ų52.50%028%0.284CS..EExtended strand (participates in β ladder)trans-114.4116176.8-58.8168.6000107.4P146 I149 L150 L164 N194 L197 M199 R203 L217P146-L166 HydrophobicContact CB-CD1 4.25Å; I149-L166 HydrophobicContact CG2-CD2 3.92Å; L150-L166 HydrophobicContact CD1-CD1 4.38Å; L150-L166 HydrophobicContact CD2-CD1 3.79Å; L150-L166 HydrophobicContact CD2-CD2 4.32Å; L150-L166 HydrophobicContact CG-CD1 4.25Å; L164-L166 HydrophobicContact CD1-CD2 4.4Å; L164-L166 HydrophobicContact CD2-CD2 3.68Å; L164-L166 HydrophobicContact CD2-CG 4.32Å; L164-L166 HydrophobicContact CG-CD2 3.8Å; L164-L166 HydrophobicContact CG-CG 4.17Å; L166-N194 HydrophobicContact CD2-CB 4.01Å; L166-L197 HydrophobicContact CB-CD1 3.83Å; L166-L197 HydrophobicContact CD2-CD1 3.78Å; L166-L197 HydrophobicContact CG-CD1 4.41Å; L166-M199 VanDerWaalsContact C-SD 3.59Å; L166-M199 HydrophobicContact CB-CE 3.77Å; L166-M199 HydrophobicContact CB-SD 4.15Å; L166-M199 WeakPolarHBondContact O-CE 3.44Å; L166-R203 HydrophobicContact CB-CB 4.36Å; L166-R203 PolarHBondContact N-O 2.83Å; L166-R203 PolarHBondContact O-N 3.49Å; L166-L217 HydrophobicContact CD1-CD1 4.18Å
167V96.9Very high89.4Confident0 Ų050 Ų500%028%0.275CS..  trans-142.2159.2-174.9-62.20000112.1Q169 M175 I193 N194 Y195 N196 L197 E202V167-Q169 WeakPolarHBondContact CG2-O 3.47Å; V167-M175 HydrophobicContact CB-SD 4.37Å; V167-M175 HydrophobicContact CG1-CE 3.44Å; V167-M175 VanDerWaalsContact CG1-CE 3.44Å; V167-M175 HydrophobicContact CG1-CG 3.97Å; V167-M175 HydrophobicContact CG1-SD 3.48Å; V167-M175 WeakPolarHBondContact CG1-SD 3.22Å; V167-M175 HydrophobicContact CG2-CG 4.3Å; V167-M175 HydrophobicContact CG2-SD 4.03Å; V167-I193 HydrophobicContact CG2-CG2 3.8Å; V167-N194 PolarHBondContact N-O 2.94Å; V167-Y195 CarbonylContact O-C 3.59Å; V167-Y195 VanDerWaalsContact O-CA 3.22Å; V167-Y195 WeakPolarHBondContact O-CA 3.48Å; V167-N196 PolarHBondContact O-N 3.07Å; V167-L197 WeakPolarHBondContact O-CB 3.48Å; V167-L197 PolarHBondContact O-N 2.97Å; V167-E202 HydrophobicContact CB-CG 4.3Å; V167-E202 HydrophobicContact CG1-CB 3.91Å; V167-E202 HydrophobicContact CG1-CG 3.77Å
168D96.7Very high91.1Very high60 Ų6044.1 Ų44.132%0.32123%0.234SC..SBendtrans-81.4-51.7166.2178.237.9000110.8N196D168-N196 VanDerWaalsContact O-CA 3.23Å; D168-N196 WeakPolarHBondContact O-CA 3.35Å; D168-N196 PolarHBondContact O-N 3Å
169Q95.2Very high92.5Very high109 Ų10945 Ų4551%0.50924%0.236SC..  trans-113147.2-176-57.8-58.4-44.900112V167 T172V167-Q169 WeakPolarHBondContact CG2-O 3.47Å; Q169-T172 HydrophobicContact CB-CG2 4.11Å
170L95.7Very high93.9Very high41 Ų4141.8 Ų41.822%0.21522%0.22CC..SBendtrans-82.5-24177.5-71.8174000113.9I138 T172 M175 I193 Y195I138-L170 HydrophobicContact CG2-CD1 4.11Å; I138-L170 HydrophobicContact CG2-CD2 3.98Å; L170-T172 PolarHBondContact O-N 3.26Å; L170-M175 WeakPolarHBondContact O-CB 3.28Å; L170-I193 HydrophobicContact CD2-CG2 3.57Å; L170-Y195 HydrophobicContact CD1-CD1 4.03Å; L170-Y195 HydrophobicContact CD1-CD2 3.93Å; L170-Y195 HydrophobicContact CD1-CE1 4.24Å; L170-Y195 HydrophobicContact CD1-CE2 4.14Å; L170-Y195 HydrophobicContact CD1-CG 3.88Å; L170-Y195 HydrophobicContact CD2-CD1 4.1Å; L170-Y195 HydrophobicContact CD2-CG 3.82Å; L170-Y195 HydrophobicContact CG-CD1 4.19Å; L170-Y195 HydrophobicContact CG-CD2 3.85Å; L170-Y195 HydrophobicContact CG-CG 3.65Å
171N95.4Very high95Very high152 Ų15239 Ų3981%0.81320%0.202SC*.SBendtrans-98.264.9-172.7-68.3-11.1000109.9
172T94.5Very high95.7Very high34 Ų3436 Ų3621%0.20919%0.19CC..SBendtrans-126.6154.8177.470.20000110.2Q169 L170 H174 M175 D176 E202Q169-T172 HydrophobicContact CB-CG2 4.11Å; L170-T172 PolarHBondContact O-N 3.26Å; T172-H174 VanDerWaalsContact C-N 3.29Å; T172-H174 PolarHBondContact O-N 3.49Å; T172-M175 PolarHBondContact O-N 2.93Å; T172-M175 VanDerWaalsContact O-N 3.12Å; T172-M175 VanDerWaalsContact OG1-CG 3.31Å; T172-M175 WeakPolarHBondContact OG1-CG 3.37Å; T172-M175 PolarHBondContact OG1-N 3.35Å; T172-D176 PolarHBondContact O-N 2.92Å; T172-D176 VanDerWaalsContact O-N 3.16Å; T172-E202 WeakPolarHBondContact CB-OE1 3.3Å; T172-E202 WeakPolarHBondContact CG2-OE1 3.5Å; T172-E202 PolarHBondContact OG1-OE1 2.86Å
173S95.4Very high95.8Very high83 Ų8336.4 Ų36.458%0.5819%0.193SC*.Hα-helixtrans-57.6-42.6178.9540000111.6M175 D176 L177S173-M175 VanDerWaalsContact C-N 3.31Å; S173-M175 PolarHBondContact O-N 3.07Å; S173-D176 PolarHBondContact O-N 3.28Å; S173-L177 WeakPolarHBondContact O-CG 3.4Å; S173-L177 PolarHBondContact O-N 3.15Å
174H96Very high95.8Very high32 Ų3236.7 Ų36.715%0.14819%0.194CC..Hα-helixtrans-65.4-32.8178.7-59134.7000112.5T172 L177 F178 E202 L220 A223T172-H174 VanDerWaalsContact C-N 3.29Å; T172-H174 PolarHBondContact O-N 3.49Å; H174-L177 PolarHBondContact O-N 3.21Å; H174-F178 VanDerWaalsContact O-CB 3.31Å; H174-F178 WeakPolarHBondContact O-CB 3.49Å; H174-F178 PolarHBondContact O-N 3.08Å; H174-E202 WeakPolarHBondContact CB-OE2 3.29Å; H174-E202 IonicContact CE1-OE2 2.68Å; H174-E202 IonicContact CG-OE2 3.37Å; H174-E202 IonicContact ND1-OE2 2.65Å; H174-E202 PolarHBondContact ND1-OE2 2.9Å; H174-L220 HydrophobicContact CB-CB 4.48Å; H174-L220 HydrophobicContact CB-CD1 4.07Å; H174-L220 PolarHBondContact CE1-O 2.9Å; H174-L220 PolarHBondContact NE2-O 3.42Å; H174-L220 VanDerWaalsContact NE2-O 3.08Å; H174-A223 PolarHBondContact CD2-O 3.3Å
175M96Very high95.7Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-69.6-34.2174.9-72-56.895.600112.6A165 V167 L170 T172 S173 F178 K179 I193 L220A165-M175 HydrophobicContact CB-CE 3.97Å; A165-M175 HydrophobicContact CB-SD 4.05Å; V167-M175 HydrophobicContact CB-SD 4.37Å; V167-M175 HydrophobicContact CG1-CE 3.44Å; V167-M175 VanDerWaalsContact CG1-CE 3.44Å; V167-M175 HydrophobicContact CG1-CG 3.97Å; V167-M175 HydrophobicContact CG1-SD 3.48Å; V167-M175 WeakPolarHBondContact CG1-SD 3.22Å; V167-M175 HydrophobicContact CG2-CG 4.3Å; V167-M175 HydrophobicContact CG2-SD 4.03Å; L170-M175 WeakPolarHBondContact O-CB 3.28Å; T172-M175 PolarHBondContact O-N 2.93Å; T172-M175 VanDerWaalsContact O-N 3.12Å; T172-M175 VanDerWaalsContact OG1-CG 3.31Å; T172-M175 WeakPolarHBondContact OG1-CG 3.37Å; T172-M175 PolarHBondContact OG1-N 3.35Å; S173-M175 VanDerWaalsContact C-N 3.31Å; S173-M175 PolarHBondContact O-N 3.07Å; M175-F178 HydrophobicContact CE-CB 4.05Å; M175-F178 HydrophobicContact CE-CG 4.46Å; M175-F178 PolarHBondContact O-N 3.13Å; M175-K179 WeakPolarHBondContact O-CB 3.31Å; M175-K179 WeakPolarHBondContact O-CD 3.05Å; M175-K179 WeakPolarHBondContact O-CG 3.33Å; M175-K179 PolarHBondContact O-N 3.26Å; M175-I193 HydrophobicContact SD-CD1 4.14Å; M175-I193 HydrophobicContact SD-CG1 4.12Å; M175-I193 HydrophobicContact SD-CG2 4.07Å; M175-L220 HydrophobicContact CE-CD1 3.99Å
176D95.5Very high95.4Very high83 Ų8340.4 Ų40.444%0.44421%0.211SC..Hα-helixtrans-68.2-37.8172.8-66.8-22.1000111.9T172 S173 K179 K180T172-D176 PolarHBondContact O-N 2.92Å; T172-D176 VanDerWaalsContact O-N 3.16Å; S173-D176 PolarHBondContact O-N 3.28Å; D176-K179 IonicContact OD1-NZ 3.78Å; D176-K179 PolarHBondContact OD1-NZ 3.22Å; D176-K179 VanDerWaalsContact OD1-NZ 3.07Å; D176-K180 WeakPolarHBondContact O-CG 3.33Å; D176-K180 PolarHBondContact O-N 2.97Å
177L96.3Very high94.9Very high37 Ų3744.5 Ų44.519%0.19424%0.24CC..Hα-helixtrans-64.6-45.8171.5-62.4179000111.6S173 H174 K179 K180 V181 L225 I228S173-L177 WeakPolarHBondContact O-CG 3.4Å; S173-L177 PolarHBondContact O-N 3.15Å; H174-L177 PolarHBondContact O-N 3.21Å; L177-K179 PolarHBondContact O-N 2.83Å; L177-K180 WeakPolarHBondContact O-CB 3.34Å; L177-K180 PolarHBondContact O-N 3.06Å; L177-K180 VanDerWaalsContact O-N 3.16Å; L177-V181 WeakPolarHBondContact O-CG2 3.39Å; L177-V181 PolarHBondContact O-N 3.43Å; L177-L225 HydrophobicContact CB-CD1 4.37Å; L177-L225 HydrophobicContact CD2-CB 3.95Å; L177-L225 HydrophobicContact CD2-CD1 4.01Å; L177-I228 HydrophobicContact CB-CD1 3.72Å; L177-I228 HydrophobicContact CD1-CD1 4.05Å
178F97.2Very high94.4Very high0 Ų047.5 Ų47.50%026%0.261CS..Hα-helixtrans-61-42.9179.2-179.5-104.7000112V136 I163 A165 H174 M175 K180 V181 A182 F191 I193 L204 I228V136-F178 HydrophobicContact CG1-CE1 4.34Å; I163-F178 HydrophobicContact CG2-CE2 3.67Å; I163-F178 HydrophobicContact CG2-CZ 4Å; A165-F178 HydrophobicContact CB-CD1 3.86Å; A165-F178 HydrophobicContact CB-CD2 4.43Å; A165-F178 HydrophobicContact CB-CE1 3.64Å; A165-F178 HydrophobicContact CB-CE2 4.24Å; A165-F178 HydrophobicContact CB-CG 4.24Å; A165-F178 HydrophobicContact CB-CZ 3.83Å; H174-F178 VanDerWaalsContact O-CB 3.31Å; H174-F178 WeakPolarHBondContact O-CB 3.49Å; H174-F178 PolarHBondContact O-N 3.08Å; M175-F178 HydrophobicContact CE-CB 4.05Å; M175-F178 HydrophobicContact CE-CG 4.46Å; M175-F178 PolarHBondContact O-N 3.13Å; F178-K180 VanDerWaalsContact C-N 3.31Å; F178-K180 PolarHBondContact O-N 3.22Å; F178-V181 PolarHBondContact O-N 3.17Å; F178-A182 WeakPolarHBondContact O-CB 3.49Å; F178-A182 PolarHBondContact O-N 2.99Å; F178-F191 HydrophobicContact CE2-CD1 4.11Å; F178-F191 HydrophobicContact CZ-CB 4.39Å; F178-F191 AromaticContact CZ-CD1 3.78Å; F178-F191 HydrophobicContact CZ-CD1 3.78Å; F178-I193 HydrophobicContact CD1-CD1 4.02Å; F178-I193 HydrophobicContact CD1-CG1 3.78Å; F178-I193 HydrophobicContact CE1-CD1 4.31Å; F178-I193 HydrophobicContact CE1-CG1 3.68Å; F178-L204 HydrophobicContact CD2-CD1 4.2Å; F178-L204 HydrophobicContact CD2-CD2 3.57Å; F178-L204 HydrophobicContact CE2-CD1 4.37Å; F178-L204 HydrophobicContact CE2-CD2 3.58Å; F178-L204 HydrophobicContact CG-CD2 4.36Å; F178-L204 HydrophobicContact CZ-CD2 4.37Å; F178-I228 HydrophobicContact CD2-CG2 4.49Å
179K96.3Very high94.1Very high43 Ų4345 Ų4519%0.18725%0.248CC..Hα-helixtrans-60.1-39.5174.9-69.5163.7-160.5158.20112F134 M175 D176 L177 A183 I193F134-K179 HydrophobicContact CE2-CB 4.24Å; F134-K179 HydrophobicContact CE2-CD 4.09Å; F134-K179 HydrophobicContact CE2-CG 3.85Å; F134-K179 HydrophobicContact CZ-CD 4.22Å; F134-K179 HydrophobicContact CZ-CG 3.97Å; M175-K179 WeakPolarHBondContact O-CB 3.31Å; M175-K179 WeakPolarHBondContact O-CD 3.05Å; M175-K179 WeakPolarHBondContact O-CG 3.33Å; M175-K179 PolarHBondContact O-N 3.26Å; D176-K179 IonicContact OD1-NZ 3.78Å; D176-K179 PolarHBondContact OD1-NZ 3.22Å; D176-K179 VanDerWaalsContact OD1-NZ 3.07Å; L177-K179 PolarHBondContact O-N 2.83Å; K179-A183 PolarHBondContact O-N 3.34Å; K179-A183 VanDerWaalsContact O-N 3.08Å; K179-I193 HydrophobicContact CG-CD1 4.27Å
180K95Very high94Very high80 Ų8044.4 Ų44.435%0.34824%0.244SC..Hα-helixtrans-64.3-46.8174.3-69.8176-177.4-177.80111.4Y107 D176 L177 F178 A183 I184 L225Y107-K180 HydrophobicContact CD1-CD 4.27Å; Y107-K180 HydrophobicContact CD1-CG 4.05Å; Y107-K180 HydrophobicContact CD2-CB 3.89Å; Y107-K180 HydrophobicContact CD2-CG 3.96Å; Y107-K180 HydrophobicContact CE1-CG 4.05Å; Y107-K180 HydrophobicContact CE2-CB 4.11Å; Y107-K180 HydrophobicContact CE2-CG 3.98Å; Y107-K180 HydrophobicContact CG-CB 4.26Å; Y107-K180 HydrophobicContact CG-CD 4.32Å; Y107-K180 HydrophobicContact CG-CG 3.99Å; D176-K180 WeakPolarHBondContact O-CG 3.33Å; D176-K180 PolarHBondContact O-N 2.97Å; L177-K180 WeakPolarHBondContact O-CB 3.34Å; L177-K180 PolarHBondContact O-N 3.06Å; L177-K180 VanDerWaalsContact O-N 3.16Å; F178-K180 VanDerWaalsContact C-N 3.31Å; F178-K180 PolarHBondContact O-N 3.22Å; K180-A183 WeakPolarHBondContact O-CB 3.39Å; K180-A183 PolarHBondContact O-N 2.67Å; K180-I184 WeakPolarHBondContact O-CD1 3.25Å; K180-I184 WeakPolarHBondContact O-CG1 3.2Å; K180-I184 PolarHBondContact O-N 3.12Å; K180-L225 HydrophobicContact CB-CD1 4.04Å; K180-L225 HydrophobicContact CD-CD1 4.43Å
181V96.2Very high94Very high0 Ų042.6 Ų42.60%023%0.234CC..Hα-helixtrans-61.7-44.1177.2174.30000111.5L177 F178 A183 I184 E185 L225 I228 H229 V232L177-V181 WeakPolarHBondContact O-CG2 3.39Å; L177-V181 PolarHBondContact O-N 3.43Å; F178-V181 PolarHBondContact O-N 3.17Å; V181-A183 VanDerWaalsContact C-N 3.25Å; V181-A183 PolarHBondContact O-N 2.92Å; V181-I184 PolarHBondContact O-N 3.41Å; V181-I184 VanDerWaalsContact O-N 3.11Å; V181-E185 HydrophobicContact CG1-CG 4.5Å; V181-E185 PolarHBondContact O-N 3.21Å; V181-L225 HydrophobicContact CG2-CD1 3.8Å; V181-I228 HydrophobicContact CB-CG2 4.11Å; V181-I228 HydrophobicContact CG1-CG2 4.26Å; V181-I228 HydrophobicContact CG2-CB 4.15Å; V181-I228 HydrophobicContact CG2-CG2 3.69Å; V181-H229 HydrophobicContact CG1-CB 4.45Å; V181-H229 HydrophobicContact CG2-CB 3.97Å; V181-V232 HydrophobicContact CG1-CB 3.68Å; V181-V232 HydrophobicContact CG1-CG1 3.84Å; V181-V232 HydrophobicContact CG1-CG2 3.66Å
182A96.1Very high94Very high0 Ų036.6 Ų36.60%020%0.201CC..Hα-helixtrans-58.6-38.4176.100000112P135 V136 F178 Q186 F191P135-A182 HydrophobicContact CG-CB 4.08Å; V136-A182 HydrophobicContact CG2-CB 3.41Å; V136-A182 VanDerWaalsContact CG2-CB 3.41Å; F178-A182 WeakPolarHBondContact O-CB 3.49Å; F178-A182 PolarHBondContact O-N 2.99Å; A182-Q186 WeakPolarHBondContact O-CA 3.46Å; A182-Q186 VanDerWaalsContact O-CB 3.29Å; A182-Q186 WeakPolarHBondContact O-CB 3.45Å; A182-Q186 PolarHBondContact O-N 2.7Å; A182-F191 HydrophobicContact CB-CB 3.7Å; A182-F191 HydrophobicContact CB-CD1 3.62Å; A182-F191 HydrophobicContact CB-CD2 3.78Å; A182-F191 HydrophobicContact CB-CE1 4.2Å; A182-F191 HydrophobicContact CB-CE2 4.34Å; A182-F191 HydrophobicContact CB-CG 3.39Å
183A93.9Very high94.1Very high8 Ų835 Ų357%0.06619%0.191CC..Hα-helixtrans-67.8-38.7174.900000113.3K106 Y107 P135 K179 K180 V181 Q186K106-A183 HydrophobicContact CD-CB 4.26Å; K106-A183 WeakPolarHBondContact CD-O 3.49Å; K106-A183 WeakPolarHBondContact CE-O 3.17Å; K106-A183 PolarHBondContact NZ-O 2.97Å; Y107-A183 HydrophobicContact CD2-CB 4.5Å; Y107-A183 HydrophobicContact CE2-CB 3.74Å; P135-A183 HydrophobicContact CG-CB 4.11Å; K179-A183 PolarHBondContact O-N 3.34Å; K179-A183 VanDerWaalsContact O-N 3.08Å; K180-A183 WeakPolarHBondContact O-CB 3.39Å; K180-A183 PolarHBondContact O-N 2.67Å; V181-A183 VanDerWaalsContact C-N 3.25Å; V181-A183 PolarHBondContact O-N 2.92Å; A183-Q186 WeakPolarHBondContact O-CG 3.36Å
184I94.1Very high94.1Very high6 Ų631.2 Ų31.23%0.03116%0.164CC..Hα-helixtrans-65.4-44.5176.7-66.3158.7000110.6K106 Y107 K109 K180 V181K106-I184 HydrophobicContact CB-CG1 3.98Å; Y107-I184 HydrophobicContact CD2-CG1 4.48Å; K109-I184 HydrophobicContact CB-CD1 4.03Å; K109-I184 HydrophobicContact CB-CG1 4.22Å; K109-I184 HydrophobicContact CB-CG2 4.23Å; K109-I184 HydrophobicContact CG-CD1 3.78Å; K180-I184 WeakPolarHBondContact O-CD1 3.25Å; K180-I184 WeakPolarHBondContact O-CG1 3.2Å; K180-I184 PolarHBondContact O-N 3.12Å; V181-I184 PolarHBondContact O-N 3.41Å; V181-I184 VanDerWaalsContact O-N 3.11Å
185E93Very high94.2Very high26 Ų2632.8 Ų32.812%0.12117%0.169CC..SBendtrans-101.213.4-170.9-63.4-64.4151.600113.7V181 S187 S188 C189 F191 H229 V232V181-E185 HydrophobicContact CG1-CG 4.5Å; V181-E185 PolarHBondContact O-N 3.21Å; E185-S187 PolarHBondContact O-N 3.15Å; E185-S187 VanDerWaalsContact O-N 3.08Å; E185-S188 PolarHBondContact O-N 3.45Å; E185-C189 PolarHBondContact O-N 3.32Å; E185-F191 HydrophobicContact CB-CE2 4.2Å; E185-F191 HydrophobicContact CB-CZ 3.7Å; E185-F191 WeakPolarHBondContact O-CE2 3.44Å; E185-H229 IonicContact OE1-CD2 3.39Å; E185-H229 IonicContact OE1-CE1 2.72Å; E185-H229 IonicContact OE1-NE2 3.47Å; E185-H229 PolarHBondContact OE1-NE2 3.3Å; E185-V232 HydrophobicContact CB-CG1 4.02Å; E185-V232 HydrophobicContact CG-CG1 3.99Å
186Q90.9Very high94.2Very high54 Ų5434.7 Ų34.725%0.25218%0.179SC..THydrogen-bonded Turntrans-58.9-23.8-173.667.3173.810.400115N131 P135 A182 A183 S188N131-Q186 PolarHBondContact OD1-NE2 2.85Å; P135-Q186 HydrophobicContact CB-CB 3.87Å; A182-Q186 WeakPolarHBondContact O-CA 3.46Å; A182-Q186 VanDerWaalsContact O-CB 3.29Å; A182-Q186 WeakPolarHBondContact O-CB 3.45Å; A182-Q186 PolarHBondContact O-N 2.7Å; A183-Q186 WeakPolarHBondContact O-CG 3.36Å; Q186-S188 VanDerWaalsContact C-N 3.33Å
187S86.4Confident94.3Very high86 Ų8630.8 Ų30.860%0.60116%0.158SC*.THydrogen-bonded Turntrans-79.2-19.9177.652.50000112.7E185E185-S187 PolarHBondContact O-N 3.15Å; E185-S187 VanDerWaalsContact O-N 3.08Å
188S87.1Confident94.2Very high64 Ų6433.5 Ų33.545%0.44818%0.177SC..THydrogen-bonded Turntrans-103.6-28.6-172.3-59.70000112.7E185 Q186E185-S188 PolarHBondContact O-N 3.45Å; Q186-S188 VanDerWaalsContact C-N 3.33Å
189C90.6Very high94.1Very high6 Ų634.8 Ų34.84%0.04118%0.183CC..  trans-140.8156.7177.9-82.80000111.6I163 E185 F191 C236I163-C189 HydrophobicContact CG1-CB 4.11Å; E185-C189 PolarHBondContact O-N 3.32Å; C189-F191 HydrophobicContact CB-CD2 4.43Å; C189-F191 HydrophobicContact CB-CE1 4.34Å; C189-F191 HydrophobicContact CB-CE2 3.7Å; C189-F191 HydrophobicContact CB-CZ 3.63Å; C189-F191 VanDerWaalsContact O-CD2 3.28Å; C189-F191 WeakPolarHBondContact O-CD2 3.45Å; C189-F191 WeakPolarHBondContact O-CE2 3.13Å; C189-C236 HydrophobicContact CB-CB 4.11Å; C189-C236 WeakPolarHBondContact CB-SG 3.46Å; C189-C236 WeakPolarHBondContact SG-CA 3.43Å; C189-C236 WeakPolarHBondContact SG-CB 3.01Å; C189-C236 CovalentContact SG-SG 2.03Å; C189-C236 PolarHBondContact SG-SG 2.7Å
190K92.3Very high93.8Very high97 Ų9740.6 Ų40.642%0.42222%0.216SC..EExtended strand (participates in β ladder)trans-88.9146.2160.5-63.9-177.7-176.8172.40110.1T160 K161 C162 I163 Y192T160-K190 VanDerWaalsContact OG1-CD 3.29Å; T160-K190 WeakPolarHBondContact OG1-CD 3.36Å; T160-K190 VanDerWaalsContact OG1-CE 3.22Å; T160-K190 WeakPolarHBondContact OG1-CE 3.18Å; K161-K190 PolarHBondContact O-N 3.11Å; C162-K190 CarbonylContact C-O 3.52Å; C162-K190 VanDerWaalsContact CA-O 3.25Å; C162-K190 WeakPolarHBondContact CA-O 3.21Å; I163-K190 PolarHBondContact N-O 2.75Å; K190-Y192 HydrophobicContact CB-CE2 3.76Å
191F95.6Very high93.7Very high3 Ų339.9 Ų39.91%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-122.4136.7-172.8-66.1-89.2000111.3V136 E137 I163 F178 A182 E185 C189 V232V136-F191 WeakPolarHBondContact CA-O 3.04Å; V136-F191 HydrophobicContact CB-CB 4.48Å; V136-F191 HydrophobicContact CG1-CB 4.41Å; V136-F191 HydrophobicContact CG2-CB 3.98Å; E137-F191 PolarHBondContact N-O 2.73Å; I163-F191 HydrophobicContact CB-CD1 3.73Å; I163-F191 HydrophobicContact CB-CE1 3.75Å; I163-F191 HydrophobicContact CG1-CD1 4.22Å; I163-F191 HydrophobicContact CG1-CE1 3.73Å; I163-F191 HydrophobicContact CG1-CZ 4.38Å; I163-F191 HydrophobicContact CG2-CD1 4.3Å; I163-F191 HydrophobicContact CG2-CE1 4.33Å; I163-F191 WeakPolarHBondContact O-CA 3.05Å; F178-F191 HydrophobicContact CE2-CD1 4.11Å; F178-F191 HydrophobicContact CZ-CB 4.39Å; F178-F191 AromaticContact CZ-CD1 3.78Å; F178-F191 HydrophobicContact CZ-CD1 3.78Å; A182-F191 HydrophobicContact CB-CB 3.7Å; A182-F191 HydrophobicContact CB-CD1 3.62Å; A182-F191 HydrophobicContact CB-CD2 3.78Å; A182-F191 HydrophobicContact CB-CE1 4.2Å; A182-F191 HydrophobicContact CB-CE2 4.34Å; A182-F191 HydrophobicContact CB-CG 3.39Å; E185-F191 HydrophobicContact CB-CE2 4.2Å; E185-F191 HydrophobicContact CB-CZ 3.7Å; E185-F191 WeakPolarHBondContact O-CE2 3.44Å; C189-F191 HydrophobicContact CB-CD2 4.43Å; C189-F191 HydrophobicContact CB-CE1 4.34Å; C189-F191 HydrophobicContact CB-CE2 3.7Å; C189-F191 HydrophobicContact CB-CZ 3.63Å; C189-F191 VanDerWaalsContact O-CD2 3.28Å; C189-F191 WeakPolarHBondContact O-CD2 3.45Å; C189-F191 WeakPolarHBondContact O-CE2 3.13Å; F191-V232 HydrophobicContact CE1-CG1 3.65Å; F191-V232 HydrophobicContact CE1-CG2 4.48Å; F191-V232 HydrophobicContact CZ-CG1 3.77Å
192Y95.6Very high93.7Very high27 Ų2741.4 Ų41.411%0.10622%0.223CC..EExtended strand (participates in β ladder)trans-133.9142.4-178.6-63.4-96.6000110.2E137 I139 W153 C162 I163 A165 K190E137-Y192 HydrophobicContact CB-CD1 3.64Å; E137-Y192 HydrophobicContact CB-CE1 3.74Å; E137-Y192 VanDerWaalsContact CD-CE1 3.48Å; E137-Y192 HydrophobicContact CG-CD1 4.14Å; E137-Y192 HydrophobicContact CG-CE1 4.11Å; E137-Y192 CarbonylContact O-C 3.38Å; E137-Y192 VanDerWaalsContact O-CA 3.26Å; E137-Y192 WeakPolarHBondContact O-CA 3.44Å; E137-Y192 VanDerWaalsContact OE2-CE1 3.25Å; E137-Y192 WeakPolarHBondContact OE2-CE1 3.39Å; I139-Y192 HydrophobicContact CD1-CD1 3.83Å; I139-Y192 HydrophobicContact CD1-CE1 4.49Å; W153-Y192 AromaticContact CH2-CD1 3.43Å; W153-Y192 HydrophobicContact CH2-CD1 3.43Å; W153-Y192 VanDerWaalsContact CH2-CD1 3.43Å; W153-Y192 AromaticContact CH2-CD2 3.43Å; W153-Y192 HydrophobicContact CH2-CD2 3.43Å; W153-Y192 VanDerWaalsContact CH2-CD2 3.43Å; W153-Y192 AromaticContact CH2-CE1 3.64Å; W153-Y192 HydrophobicContact CH2-CE1 3.64Å; W153-Y192 AromaticContact CH2-CE2 3.67Å; W153-Y192 HydrophobicContact CH2-CE2 3.67Å; W153-Y192 AromaticContact CH2-CG 3.32Å; W153-Y192 HydrophobicContact CH2-CG 3.32Å; W153-Y192 AromaticContact CH2-CZ 3.78Å; W153-Y192 AromaticContact CZ2-CD1 3.62Å; W153-Y192 HydrophobicContact CZ2-CD1 3.62Å; W153-Y192 HydrophobicContact CZ2-CD2 4.27Å; W153-Y192 HydrophobicContact CZ2-CE1 4.12Å; W153-Y192 AromaticContact CZ2-CG 3.7Å; W153-Y192 HydrophobicContact CZ2-CG 3.7Å; W153-Y192 HydrophobicContact CZ3-CD2 4.18Å; W153-Y192 HydrophobicContact CZ3-CE2 4.26Å; W153-Y192 HydrophobicContact CZ3-CG 4.43Å; C162-Y192 HydrophobicContact CB-CD2 4.08Å; C162-Y192 HydrophobicContact CB-CE2 3.97Å; I163-Y192 PolarHBondContact O-N 3.21Å; A165-Y192 PolarHBondContact N-O 2.9Å; K190-Y192 HydrophobicContact CB-CE2 3.76Å
193I97Very high93.7Very high0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-116.9120.1166.2-65.1162.2000107.6V136 E137 I138 I139 A165 V167 L170 M175 F178 K179V136-I193 HydrophobicContact CG1-CB 4.25Å; V136-I193 HydrophobicContact CG1-CD1 3.63Å; V136-I193 HydrophobicContact CG1-CG1 3.59Å; E137-I193 PolarHBondContact O-N 2.87Å; I138-I193 CarbonylContact C-O 3.59Å; I138-I193 WeakPolarHBondContact CA-O 3.49Å; I138-I193 HydrophobicContact CG1-CB 4.41Å; I138-I193 HydrophobicContact CG1-CD1 4.49Å; I139-I193 PolarHBondContact N-O 3.44Å; A165-I193 HydrophobicContact CB-CB 4.5Å; A165-I193 HydrophobicContact CB-CG1 3.97Å; V167-I193 HydrophobicContact CG2-CG2 3.8Å; L170-I193 HydrophobicContact CD2-CG2 3.57Å; M175-I193 HydrophobicContact SD-CD1 4.14Å; M175-I193 HydrophobicContact SD-CG1 4.12Å; M175-I193 HydrophobicContact SD-CG2 4.07Å; F178-I193 HydrophobicContact CD1-CD1 4.02Å; F178-I193 HydrophobicContact CD1-CG1 3.78Å; F178-I193 HydrophobicContact CE1-CD1 4.31Å; F178-I193 HydrophobicContact CE1-CG1 3.68Å; K179-I193 HydrophobicContact CG-CD1 4.27Å
194N96.1Very high93.8Very high3 Ų344 Ų442%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-101111.5167.5-149.1-44.1000108.7I139 G141 I149 L164 A165 L166 V167 L197I139-N194 WeakPolarHBondContact O-CA 3.39Å; I139-N194 PolarHBondContact O-OD1 3.31Å; G141-N194 WeakPolarHBondContact CA-OD1 3.39Å; G141-N194 PolarHBondContact N-OD1 2.86Å; G141-N194 VanDerWaalsContact N-OD1 3.1Å; I149-N194 HydrophobicContact CG2-CB 4.3Å; I149-N194 WeakPolarHBondContact CG2-ND2 3.16Å; L164-N194 HydrophobicContact CD1-CB 4.12Å; A165-N194 PolarHBondContact O-N 3.05Å; L166-N194 HydrophobicContact CD2-CB 4.01Å; V167-N194 PolarHBondContact N-O 2.94Å; N194-L197 HydrophobicContact CB-CD1 4.28Å; N194-L197 WeakPolarHBondContact O-CD1 3.41Å
195Y97.3Very high93.9Very high66 Ų6643.8 Ų43.826%0.25923%0.23SC..EExtended strand (participates in β ladder)trans-109.8173.8-174.781.2-79.6000111.8I138 I139 N140 G141 V167 L170I138-Y195 HydrophobicContact CG2-CD1 3.53Å; I138-Y195 HydrophobicContact CG2-CE1 3.73Å; I139-Y195 WeakPolarHBondContact O-CD1 3.38Å; I139-Y195 PolarHBondContact O-N 2.81Å; N140-Y195 VanDerWaalsContact CA-CE1 3.47Å; N140-Y195 HydrophobicContact CB-CD1 4.49Å; N140-Y195 HydrophobicContact CB-CE1 3.68Å; N140-Y195 PolarHBondContact ND2-OH 3.31Å; G141-Y195 WeakPolarHBondContact CA-O 3.26Å; G141-Y195 PolarHBondContact N-O 3.09Å; V167-Y195 CarbonylContact O-C 3.59Å; V167-Y195 VanDerWaalsContact O-CA 3.22Å; V167-Y195 WeakPolarHBondContact O-CA 3.48Å; L170-Y195 HydrophobicContact CD1-CD1 4.03Å; L170-Y195 HydrophobicContact CD1-CD2 3.93Å; L170-Y195 HydrophobicContact CD1-CE1 4.24Å; L170-Y195 HydrophobicContact CD1-CE2 4.14Å; L170-Y195 HydrophobicContact CD1-CG 3.88Å; L170-Y195 HydrophobicContact CD2-CD1 4.1Å; L170-Y195 HydrophobicContact CD2-CG 3.82Å; L170-Y195 HydrophobicContact CG-CD1 4.19Å; L170-Y195 HydrophobicContact CG-CD2 3.85Å; L170-Y195 HydrophobicContact CG-CG 3.65Å
196N96.7Very high93.8Very high39 Ų3943 Ų4321%0.20923%0.227CC..SBendtrans58.350.4-179.2-177.333.1000110.5N140 R143 V167 D168N140-N196 PolarHBondContact OD1-ND2 2.79Å; R143-N196 WeakPolarHBondContact CA-O 3.48Å; R143-N196 VanDerWaalsContact CG-OD1 3.28Å; R143-N196 WeakPolarHBondContact CG-OD1 3.33Å; R143-N196 PolarHBondContact N-O 2.83Å; V167-N196 PolarHBondContact O-N 3.07Å; D168-N196 VanDerWaalsContact O-CA 3.23Å; D168-N196 WeakPolarHBondContact O-CA 3.35Å; D168-N196 PolarHBondContact O-N 3Å
197L96.1Very high93.7Very high1 Ų140.7 Ų40.71%0.00522%0.216CC..  trans-104.8148176.7-61.7-179.4000111A144 P146 I149 L166 V167 N194 M199A144-L197 HydrophobicContact CB-CD2 4.45Å; A144-L197 WeakPolarHBondContact O-CA 3.12Å; A144-L197 WeakPolarHBondContact O-CD2 3.19Å; P146-L197 HydrophobicContact CG-CB 4.44Å; P146-L197 HydrophobicContact CG-CD1 4.33Å; I149-L197 HydrophobicContact CD1-CD2 4.04Å; I149-L197 HydrophobicContact CG1-CD1 4.48Å; I149-L197 HydrophobicContact CG1-CD2 3.5Å; I149-L197 VanDerWaalsContact CG1-CD2 3.5Å; L166-L197 HydrophobicContact CB-CD1 3.83Å; L166-L197 HydrophobicContact CD2-CD1 3.78Å; L166-L197 HydrophobicContact CG-CD1 4.41Å; V167-L197 WeakPolarHBondContact O-CB 3.48Å; V167-L197 PolarHBondContact O-N 2.97Å; N194-L197 HydrophobicContact CB-CD1 4.28Å; N194-L197 WeakPolarHBondContact O-CD1 3.41Å; L197-M199 HydrophobicContact CB-CG 4.15Å; L197-M199 HydrophobicContact CB-SD 3.6Å; L197-M199 HydrophobicContact CD1-SD 3.8Å; L197-M199 HydrophobicContact CG-SD 4.31Å; L197-M199 PolarHBondContact O-N 3.22Å
198T95.6Very high93.3Very high95 Ų9537.8 Ų37.858%0.58319%0.194SC*.SBendtrans-79.288.7174.8-560000109.3R143 A144 P146R143-T198 PolarHBondContact O-OG1 3.05Å; A144-T198 PolarHBondContact O-N 3.01Å; P146-T198 WeakPolarHBondContact CD-O 3.36Å
199M93.9Very high92.7Very high27 Ų2735.9 Ų35.913%0.13318%0.179CC..  trans-153.9155.8-177.566.4-161.5-66.200113.2P146 L166 L197 D201 R203P146-M199 HydrophobicContact CG-CB 3.76Å; P146-M199 HydrophobicContact CG-CE 3.86Å; P146-M199 HydrophobicContact CG-CG 4.31Å; P146-M199 HydrophobicContact CG-SD 3.65Å; L166-M199 VanDerWaalsContact C-SD 3.59Å; L166-M199 HydrophobicContact CB-CE 3.77Å; L166-M199 HydrophobicContact CB-SD 4.15Å; L166-M199 WeakPolarHBondContact O-CE 3.44Å; L197-M199 HydrophobicContact CB-CG 4.15Å; L197-M199 HydrophobicContact CB-SD 3.6Å; L197-M199 HydrophobicContact CD1-SD 3.8Å; L197-M199 HydrophobicContact CG-SD 4.31Å; L197-M199 PolarHBondContact O-N 3.22Å; M199-D201 WeakPolarHBondContact CE-O 3.4Å; M199-R203 HydrophobicContact CE-CB 4.28Å; M199-R203 HydrophobicContact CE-CG 3.85Å
200N89.8Confident91.6Very high165 Ų16537.9 Ų37.988%0.88219%0.189SC*.SBendtrans-97.2-29.1-179.6-64.5-21000113.7
201D93.7Very high90.7Very high64 Ų6435.5 Ų35.534%0.34218%0.182SC..SBendtrans-125.7134.5-175.8-59.8-75.2000109.6M199 R203 I219M199-D201 WeakPolarHBondContact CE-O 3.4Å; D201-R203 WeakPolarHBondContact O-CG 3.34Å; D201-I219 HydrophobicContact CB-CG2 3.79Å
202E95.5Very high89.8Confident33 Ų3338 Ų3815%0.15420%0.2CC..  trans-69.1139.9174.1-59.8174.7136.300110.8V167 T172 H174 L220V167-E202 HydrophobicContact CB-CG 4.3Å; V167-E202 HydrophobicContact CG1-CB 3.91Å; V167-E202 HydrophobicContact CG1-CG 3.77Å; T172-E202 WeakPolarHBondContact CB-OE1 3.3Å; T172-E202 WeakPolarHBondContact CG2-OE1 3.5Å; T172-E202 PolarHBondContact OG1-OE1 2.86Å; H174-E202 WeakPolarHBondContact CB-OE2 3.29Å; H174-E202 IonicContact CE1-OE2 2.68Å; H174-E202 IonicContact CG-OE2 3.37Å; H174-E202 IonicContact ND1-OE2 2.65Å; H174-E202 PolarHBondContact ND1-OE2 2.9Å; E202-L220 HydrophobicContact CB-CB 4.26Å; E202-L220 HydrophobicContact CB-CD1 4.16Å; E202-L220 PolarHBondContact O-N 3.2Å
203R96.2Very high89.2Confident62 Ų6242.9 Ų42.923%0.23422%0.222CC..EExtended strand (participates in β ladder)trans-133.7151.4-174-54.7178.4-170.9178.2-1.9111.8A165 L166 M199 D201 L217 T218 I219A165-R203 WeakPolarHBondContact CA-O 3.21Å; L166-R203 HydrophobicContact CB-CB 4.36Å; L166-R203 PolarHBondContact N-O 2.83Å; L166-R203 PolarHBondContact O-N 3.49Å; M199-R203 HydrophobicContact CE-CB 4.28Å; M199-R203 HydrophobicContact CE-CG 3.85Å; D201-R203 WeakPolarHBondContact O-CG 3.34Å; R203-L217 HydrophobicContact CB-CD1 3.98Å; R203-T218 CarbonylContact C-O 3.56Å; R203-T218 WeakPolarHBondContact CA-O 3.34Å; R203-T218 WeakPolarHBondContact CB-O 3.25Å; R203-I219 HydrophobicContact CG-CG1 4.31Å
204L96.7Very high88.7Confident1 Ų144.4 Ų44.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-110.2146.4162.1-58-177.3000109.7L164 A165 F178 L217 T218 L220 I228 W231 V232L164-L204 CarbonylContact O-C 3.59Å; L164-L204 WeakPolarHBondContact O-CA 3.48Å; A165-L204 HydrophobicContact CB-CD2 3.66Å; F178-L204 HydrophobicContact CD2-CD1 4.2Å; F178-L204 HydrophobicContact CD2-CD2 3.57Å; F178-L204 HydrophobicContact CE2-CD1 4.37Å; F178-L204 HydrophobicContact CE2-CD2 3.58Å; F178-L204 HydrophobicContact CG-CD2 4.36Å; F178-L204 HydrophobicContact CZ-CD2 4.37Å; L204-L217 CarbonylContact O-C 3.52Å; L204-L217 WeakPolarHBondContact O-CA 3.3Å; L204-T218 HydrophobicContact CB-CG2 3.94Å; L204-T218 PolarHBondContact N-O 3.13Å; L204-T218 PolarHBondContact O-N 3.06Å; L204-L220 HydrophobicContact CD1-CD2 3.76Å; L204-L220 HydrophobicContact CD2-CD1 3.91Å; L204-L220 HydrophobicContact CG-CD1 3.9Å; L204-L220 HydrophobicContact CG-CD2 3.76Å; L204-L220 HydrophobicContact CG-CG 3.97Å; L204-I228 HydrophobicContact CD1-CG2 4.08Å; L204-W231 HydrophobicContact CB-CE3 4.14Å; L204-W231 HydrophobicContact CB-CH2 3.67Å; L204-W231 HydrophobicContact CB-CZ2 4.33Å; L204-W231 HydrophobicContact CB-CZ3 3.55Å; L204-W231 HydrophobicContact CD1-CD2 4.5Å; L204-W231 HydrophobicContact CD1-CE3 3.62Å; L204-W231 HydrophobicContact CD1-CZ3 3.67Å; L204-W231 HydrophobicContact CG-CZ3 4.25Å; L204-V232 HydrophobicContact CD1-CG2 4.49Å
205A95Very high88.2Confident0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans-138.1157.5172.600000109.8L150 L164 V214 L217L150-A205 HydrophobicContact CD2-CB 4.45Å; L164-A205 PolarHBondContact N-O 3.14Å; L164-A205 PolarHBondContact O-N 2.93Å; A205-V214 HydrophobicContact CB-CG1 3.62Å; A205-L217 HydrophobicContact CB-CD1 3.85Å
206T92.6Very high87.7Confident9 Ų947.7 Ų47.76%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-109.8131172.7-56.50000108.7C162 I163 V214 K215 W231 Q235C162-T206 CarbonylContact O-C 3.56Å; C162-T206 WeakPolarHBondContact O-CA 3.37Å; I163-T206 HydrophobicContact CD1-CG2 4.11Å; T206-V214 CarbonylContact O-C 3.53Å; T206-V214 WeakPolarHBondContact O-CA 3.33Å; T206-K215 PolarHBondContact N-O 2.81Å; T206-K215 PolarHBondContact O-N 3.07Å; T206-W231 WeakPolarHBondContact OG1-CH2 3.46Å; T206-Q235 HydrophobicContact CG2-CB 4.23Å; T206-Q235 WeakPolarHBondContact OG1-CB 3.48Å; T206-Q235 VanDerWaalsContact OG1-CG 3.28Å; T206-Q235 WeakPolarHBondContact OG1-CG 3.47Å
207Y88.9Confident87.3Confident6 Ų650 Ų502%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-90.1113.6166.4-174.6-107.2000108.8W153 V154 K156 V158 C162 T209 S212 V214W153-Y207 HydrophobicContact CE3-CG 4.43Å; V154-Y207 PolarHBondContact O-OH 3.42Å; K156-Y207 PolarHBondContact O-OH 2.76Å; V158-Y207 HydrophobicContact CB-CD1 3.91Å; V158-Y207 HydrophobicContact CB-CE1 3.69Å; V158-Y207 HydrophobicContact CG1-CD1 4.45Å; V158-Y207 HydrophobicContact CG2-CD1 4.01Å; V158-Y207 HydrophobicContact CG2-CE1 3.78Å; C162-Y207 PolarHBondContact N-O 3.26Å; C162-Y207 PolarHBondContact O-N 2.77Å; Y207-T209 HydrophobicContact CD1-CG2 3.77Å; Y207-T209 HydrophobicContact CE1-CG2 3.88Å; Y207-T209 PolarHBondContact O-N 2.82Å; Y207-S212 WeakPolarHBondContact OH-CA 3.35Å; Y207-V214 HydrophobicContact CD2-CG2 3.94Å
208D77.9Confident87.2Confident26 Ų2652.2 Ų52.214%0.13928%0.279CS..EExtended strand (participates in β ladder)trans-85.9102.9173.2-178.4-7.6000108.2M210 T211 S212 K213 K215D208-M210 PolarHBondContact O-N 2.88Å; D208-M210 WeakPolarHBondContact OD1-CA 3.36Å; D208-M210 WeakPolarHBondContact OD1-CB 3.3Å; D208-M210 VanDerWaalsContact OD1-CG 3.22Å; D208-M210 WeakPolarHBondContact OD1-CG 3.39Å; D208-M210 PolarHBondContact OD1-N 3.37Å; D208-T211 VanDerWaalsContact CG-OG1 3.29Å; D208-T211 PolarHBondContact O-N 2.81Å; D208-T211 PolarHBondContact OD1-N 3.25Å; D208-T211 PolarHBondContact OD2-OG1 3.33Å; D208-S212 VanDerWaalsContact O-CA 3.29Å; D208-S212 WeakPolarHBondContact O-CA 3.48Å; D208-S212 PolarHBondContact O-N 3.34Å; D208-K213 WeakPolarHBondContact CB-O 3.36Å; D208-K213 PolarHBondContact N-O 3.48Å; D208-K213 PolarHBondContact O-N 2.89Å; D208-K215 HydrophobicContact CB-CD 4.06Å; D208-K215 HydrophobicContact CB-CG 4.47Å; D208-K215 WeakPolarHBondContact OD2-CE 3.49Å; D208-K215 IonicContact OD2-NZ 3.25Å; D208-K215 PolarHBondContact OD2-NZ 3.38Å
209T72.7Confident87.1Confident24 Ų2451.9 Ų51.915%0.14727%0.273CS..THydrogen-bonded Turntrans-61.5-23178.152.40000112.9V158 T160 Y207V158-T209 HydrophobicContact CB-CG2 3.96Å; V158-T209 HydrophobicContact CG1-CG2 4.09Å; V158-T209 WeakPolarHBondContact O-CB 3.4Å; V158-T209 WeakPolarHBondContact O-CG2 3.37Å; T160-T209 WeakPolarHBondContact O-CG2 3.5Å; Y207-T209 HydrophobicContact CD1-CG2 3.77Å; Y207-T209 HydrophobicContact CE1-CG2 3.88Å; Y207-T209 PolarHBondContact O-N 2.82Å
210M68.3Low87.1Confident48 Ų4850.9 Ų50.924%0.23627%0.268CS..THydrogen-bonded Turntrans-75.5-46.1-177.1-45.2-61.7-77.400110.9D208 N272 M275D208-M210 PolarHBondContact O-N 2.88Å; D208-M210 WeakPolarHBondContact OD1-CA 3.36Å; D208-M210 WeakPolarHBondContact OD1-CB 3.3Å; D208-M210 VanDerWaalsContact OD1-CG 3.22Å; D208-M210 WeakPolarHBondContact OD1-CG 3.39Å; D208-M210 PolarHBondContact OD1-N 3.37Å; M210-N272 VanDerWaalsContact CE-CA 3.42Å; M210-N272 HydrophobicContact CE-CB 3.58Å; M210-N272 VanDerWaalsContact CE-CG 3.4Å; M210-N272 WeakPolarHBondContact CE-OD1 3.32Å; M210-M275 HydrophobicContact CE-CB 4Å; M210-M275 HydrophobicContact CE-CG 4.26Å; M210-M275 HydrophobicContact CE-SD 3.58Å; M210-M275 VanDerWaalsContact CE-SD 3.58Å; M210-M275 HydrophobicContact SD-SD 4.43Å
211T73.3Confident87.1Confident47 Ų4750.2 Ų50.229%0.28826%0.257SS..THydrogen-bonded Turntrans-91.8-2.4177.557.70000113.3D208 K213 K215D208-T211 VanDerWaalsContact CG-OG1 3.29Å; D208-T211 PolarHBondContact O-N 2.81Å; D208-T211 PolarHBondContact OD1-N 3.25Å; D208-T211 PolarHBondContact OD2-OG1 3.33Å; T211-K213 WeakPolarHBondContact O-CG 3.34Å; T211-K213 PolarHBondContact O-N 3.08Å; T211-K213 VanDerWaalsContact O-N 3.13Å; T211-K215 VanDerWaalsContact OG1-CE 3.25Å; T211-K215 WeakPolarHBondContact OG1-CE 3.42Å; T211-K215 PolarHBondContact OG1-NZ 2.88Å
212S76.2Confident86.9Confident56 Ų5654.2 Ų54.239%0.39228%0.279SS..THydrogen-bonded Turntrans49.729.5-167.8-54.70000112.8V154 Y207 D208V154-S212 VanDerWaalsContact CG1-O 3.31Å; V154-S212 WeakPolarHBondContact CG1-O 3.36Å; Y207-S212 WeakPolarHBondContact OH-CA 3.35Å; D208-S212 VanDerWaalsContact O-CA 3.29Å; D208-S212 WeakPolarHBondContact O-CA 3.48Å; D208-S212 PolarHBondContact O-N 3.34Å
213K83Confident86.8Confident128 Ų12853.6 Ų53.656%0.55728%0.279SS*.EExtended strand (participates in β ladder)trans-115.7146.8-176.2-74.2173.5-174.3-178.10110.9D208 T211 K215D208-K213 WeakPolarHBondContact CB-O 3.36Å; D208-K213 PolarHBondContact N-O 3.48Å; D208-K213 PolarHBondContact O-N 2.89Å; T211-K213 WeakPolarHBondContact O-CG 3.34Å; T211-K213 PolarHBondContact O-N 3.08Å; T211-K213 VanDerWaalsContact O-N 3.13Å; K213-K215 HydrophobicContact CB-CG 4.44Å
214V86.6Confident86.8Confident32 Ų3254.7 Ų54.719%0.19429%0.289CS..EExtended strand (participates in β ladder)trans-77.4131162.4-179.50000108.4L150 V154 A205 T206 Y207L150-V214 HydrophobicContact CB-CB 4.33Å; L150-V214 HydrophobicContact CB-CG2 4.02Å; L150-V214 HydrophobicContact CD1-CB 4.5Å; L150-V214 HydrophobicContact CD1-CG1 3.93Å; L150-V214 HydrophobicContact CD2-CB 4.23Å; L150-V214 HydrophobicContact CD2-CG1 3.64Å; L150-V214 HydrophobicContact CD2-CG2 3.9Å; L150-V214 HydrophobicContact CG-CG1 4.19Å; L150-V214 HydrophobicContact CG-CG2 4.43Å; V154-V214 HydrophobicContact CG2-CG2 4.23Å; A205-V214 HydrophobicContact CB-CG1 3.62Å; T206-V214 CarbonylContact O-C 3.53Å; T206-V214 WeakPolarHBondContact O-CA 3.33Å; Y207-V214 HydrophobicContact CD2-CG2 3.94Å
215K86.4Confident86.6Confident86 Ų8656.6 Ų56.637%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-133.4174.9-179.4-68.2-175.3-179.4168.60110.8T206 D208 T211 K213 L217T206-K215 PolarHBondContact N-O 2.81Å; T206-K215 PolarHBondContact O-N 3.07Å; D208-K215 HydrophobicContact CB-CD 4.06Å; D208-K215 HydrophobicContact CB-CG 4.47Å; D208-K215 WeakPolarHBondContact OD2-CE 3.49Å; D208-K215 IonicContact OD2-NZ 3.25Å; D208-K215 PolarHBondContact OD2-NZ 3.38Å; T211-K215 VanDerWaalsContact OG1-CE 3.25Å; T211-K215 WeakPolarHBondContact OG1-CE 3.42Å; T211-K215 PolarHBondContact OG1-NZ 2.88Å; K213-K215 HydrophobicContact CB-CG 4.44Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 3.19Å
216S85.8Confident86.5Confident53 Ų5359.8 Ų59.837%0.37132%0.319SS..EExtended strand (participates in β ladder)trans56.935.5169.1-54.10000114.7T218 W231 Q235S216-T218 PolarHBondContact O-N 2.83Å; S216-W231 WeakPolarHBondContact O-CZ2 3.33Å; S216-Q235 PolarHBondContact OG-OE1 3.45Å
217L89Confident86.7Confident86 Ų8661.6 Ų61.645%0.4534%0.335SS..EExtended strand (participates in β ladder)trans-61.1124.7179.2-170.474.2000110.9L166 R203 L204 A205 K215L166-L217 HydrophobicContact CD1-CD1 4.18Å; R203-L217 HydrophobicContact CB-CD1 3.98Å; L204-L217 CarbonylContact O-C 3.52Å; L204-L217 WeakPolarHBondContact O-CA 3.3Å; A205-L217 HydrophobicContact CB-CD1 3.85Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 3.19Å
218T93.3Very high87Confident49 Ų4961.4 Ų61.430%0.30133%0.334SS..EExtended strand (participates in β ladder)trans-131.8146176.3-170.20000111.4R203 L204 S216 W231R203-T218 CarbonylContact C-O 3.56Å; R203-T218 WeakPolarHBondContact CA-O 3.34Å; R203-T218 WeakPolarHBondContact CB-O 3.25Å; L204-T218 HydrophobicContact CB-CG2 3.94Å; L204-T218 PolarHBondContact N-O 3.13Å; L204-T218 PolarHBondContact O-N 3.06Å; S216-T218 PolarHBondContact O-N 2.83Å; T218-W231 HydrophobicContact CG2-CD2 3.96Å; T218-W231 HydrophobicContact CG2-CG 4.29Å; T218-W231 HydrophobicContact CG2-CZ2 3.96Å
219I94.5Very high87.8Confident87 Ų8761.3 Ų61.345%0.44633%0.333SS..EExtended strand (participates in β ladder)trans-89.2138.6175.8-61.7170.9000108.8D201 R203 K221D201-I219 HydrophobicContact CB-CG2 3.79Å; R203-I219 HydrophobicContact CG-CG1 4.31Å; I219-K221 VanDerWaalsContact C-N 3.3Å; I219-K221 HydrophobicContact CG2-CB 3.97Å; I219-K221 PolarHBondContact O-N 3.19Å
220L92.6Very high88.9Confident6 Ų664.4 Ų64.43%0.03135%0.349CS..  trans-8610.7-176.6-74.1175.8000114.6H174 M175 E202 L204 N222 A223 I228H174-L220 HydrophobicContact CB-CB 4.48Å; H174-L220 HydrophobicContact CB-CD1 4.07Å; H174-L220 PolarHBondContact CE1-O 2.9Å; H174-L220 PolarHBondContact NE2-O 3.42Å; H174-L220 VanDerWaalsContact NE2-O 3.08Å; M175-L220 HydrophobicContact CE-CD1 3.99Å; E202-L220 HydrophobicContact CB-CB 4.26Å; E202-L220 HydrophobicContact CB-CD1 4.16Å; E202-L220 PolarHBondContact O-N 3.2Å; L204-L220 HydrophobicContact CD1-CD2 3.76Å; L204-L220 HydrophobicContact CD2-CD1 3.91Å; L204-L220 HydrophobicContact CG-CD1 3.9Å; L204-L220 HydrophobicContact CG-CD2 3.76Å; L204-L220 HydrophobicContact CG-CG 3.97Å; L220-N222 PolarHBondContact O-N 2.96Å; L220-N222 VanDerWaalsContact O-N 3.09Å; L220-A223 HydrophobicContact CB-CB 4.5Å; L220-A223 HydrophobicContact CD2-CB 4.04Å; L220-A223 VanDerWaalsContact O-CB 3.25Å; L220-A223 WeakPolarHBondContact O-CB 3.49Å; L220-A223 PolarHBondContact O-N 3.03Å; L220-I228 HydrophobicContact CD2-CD1 4.01Å; L220-I228 HydrophobicContact CD2-CG1 3.79Å
221K90.3Very high90.2Very high152 Ų15264.5 Ų64.566%0.66135%0.346SS*.THydrogen-bonded Turntrans-57.3118.9-173.3-171.4174.1-175.1173.40111.2I219 A223I219-K221 VanDerWaalsContact C-N 3.3Å; I219-K221 HydrophobicContact CG2-CB 3.97Å; I219-K221 PolarHBondContact O-N 3.19Å; K221-A223 PolarHBondContact O-N 3.21Å
222N90.1Very high91.2Very high148 Ų14862.3 Ų62.379%0.79133%0.333SS*.THydrogen-bonded Turntrans60.920.4-177.5-51-30.8000114.7L220 D224L220-N222 PolarHBondContact O-N 2.96Å; L220-N222 VanDerWaalsContact O-N 3.09Å; N222-D224 PolarHBondContact O-N 3.06Å
223A94.2Very high92Very high19 Ų1965.1 Ų65.116%0.15734%0.338CS..  trans-76.5125.2-178.800000111H174 L220 K221 A227 I228H174-A223 PolarHBondContact CD2-O 3.3Å; L220-A223 HydrophobicContact CB-CB 4.5Å; L220-A223 HydrophobicContact CD2-CB 4.04Å; L220-A223 VanDerWaalsContact O-CB 3.25Å; L220-A223 WeakPolarHBondContact O-CB 3.49Å; L220-A223 PolarHBondContact O-N 3.03Å; K221-A223 PolarHBondContact O-N 3.21Å; A223-A227 HydrophobicContact CB-CB 4.44Å; A223-I228 HydrophobicContact CB-CD1 4.24Å; A223-I228 HydrophobicContact CB-CG1 3.88Å
224D95.1Very high92.4Very high85 Ų8564.5 Ų64.546%0.45534%0.341SS..  trans-87.8178.4173.578.8-20.9000111.8N222 T226 A227 I228N222-D224 PolarHBondContact O-N 3.06Å; D224-T226 PolarHBondContact O-N 3.03Å; D224-T226 PolarHBondContact OD1-N 3.41Å; D224-A227 PolarHBondContact O-N 3.31Å; D224-A227 WeakPolarHBondContact OD1-CB 3.04Å; D224-A227 PolarHBondContact OD1-N 2.96Å; D224-I228 WeakPolarHBondContact O-CG1 3.41Å; D224-I228 PolarHBondContact O-N 3.06Å; D224-I228 VanDerWaalsContact O-N 3.09Å
225L93Very high92.6Very high42 Ų4264.5 Ų64.522%0.2234%0.338CS..Hα-helixtrans-56-41179.2-173.465.6000111.6L177 K180 V181 H229L177-L225 HydrophobicContact CB-CD1 4.37Å; L177-L225 HydrophobicContact CD2-CB 3.95Å; L177-L225 HydrophobicContact CD2-CD1 4.01Å; K180-L225 HydrophobicContact CB-CD1 4.04Å; K180-L225 HydrophobicContact CD-CD1 4.43Å; V181-L225 HydrophobicContact CG2-CD1 3.8Å; L225-H229 WeakPolarHBondContact O-CB 3.36Å; L225-H229 PolarHBondContact O-N 3.29Å
226T92.9Very high92.7Very high66 Ų6660.8 Ų60.841%0.40532%0.323SS..Hα-helixtrans-68.8-44.3-175.7-53.40000111.1D224 H229 N230D224-T226 PolarHBondContact O-N 3.03Å; D224-T226 PolarHBondContact OD1-N 3.41Å; T226-H229 PolarHBondContact O-N 2.75Å; T226-N230 WeakPolarHBondContact O-CB 3.18Å; T226-N230 VanDerWaalsContact O-CG 3.25Å; T226-N230 PolarHBondContact O-N 3.38Å; T226-N230 PolarHBondContact O-ND2 3.38Å
227A95.8Very high92.6Very high47 Ų4763.4 Ų63.439%0.38833%0.333SS..Hα-helixtrans-62.2-46.817700000111.4A223 D224 W231A223-A227 HydrophobicContact CB-CB 4.44Å; D224-A227 PolarHBondContact O-N 3.31Å; D224-A227 WeakPolarHBondContact OD1-CB 3.04Å; D224-A227 PolarHBondContact OD1-N 2.96Å; A227-W231 WeakPolarHBondContact O-CB 3.33Å; A227-W231 PolarHBondContact O-N 3.43Å
228I96.8Very high92.4Very high3 Ų360.8 Ų60.82%0.01532%0.322CS..Hα-helixtrans-63.5-45.7177.6-63.4172000110.3L177 F178 V181 L204 L220 A223 D224 W231 V232L177-I228 HydrophobicContact CB-CD1 3.72Å; L177-I228 HydrophobicContact CD1-CD1 4.05Å; F178-I228 HydrophobicContact CD2-CG2 4.49Å; V181-I228 HydrophobicContact CB-CG2 4.11Å; V181-I228 HydrophobicContact CG1-CG2 4.26Å; V181-I228 HydrophobicContact CG2-CB 4.15Å; V181-I228 HydrophobicContact CG2-CG2 3.69Å; L204-I228 HydrophobicContact CD1-CG2 4.08Å; L220-I228 HydrophobicContact CD2-CD1 4.01Å; L220-I228 HydrophobicContact CD2-CG1 3.79Å; A223-I228 HydrophobicContact CB-CD1 4.24Å; A223-I228 HydrophobicContact CB-CG1 3.88Å; D224-I228 WeakPolarHBondContact O-CG1 3.41Å; D224-I228 PolarHBondContact O-N 3.06Å; D224-I228 VanDerWaalsContact O-N 3.09Å; I228-W231 PolarHBondContact O-N 2.88Å; I228-V232 HydrophobicContact CG2-CG2 4.4Å; I228-V232 WeakPolarHBondContact O-CB 3.26Å; I228-V232 WeakPolarHBondContact O-CG2 3.42Å; I228-V232 PolarHBondContact O-N 2.93Å
229H94.9Very high92.3Very high23 Ų2359.7 Ų59.711%0.10631%0.314CS..Hα-helixtrans-62.5-47.5-179.3-179.1-133.1000112V181 E185 L225 T226 W231 V232 K233V181-H229 HydrophobicContact CG1-CB 4.45Å; V181-H229 HydrophobicContact CG2-CB 3.97Å; E185-H229 IonicContact OE1-CD2 3.39Å; E185-H229 IonicContact OE1-CE1 2.72Å; E185-H229 IonicContact OE1-NE2 3.47Å; E185-H229 PolarHBondContact OE1-NE2 3.3Å; L225-H229 WeakPolarHBondContact O-CB 3.36Å; L225-H229 PolarHBondContact O-N 3.29Å; T226-H229 PolarHBondContact O-N 2.75Å; H229-W231 VanDerWaalsContact C-N 3.35Å; H229-W231 PolarHBondContact O-N 3.01Å; H229-V232 PolarHBondContact O-N 3.45Å; H229-K233 WeakPolarHBondContact O-CB 3.41Å; H229-K233 PolarHBondContact O-N 3.46Å
230N94.3Very high92.2Very high90 Ų9055.7 Ų55.748%0.48129%0.294SS..Hα-helixtrans-62.4-42.7178.3-74.7-22.5000111.9T226 N234T226-N230 WeakPolarHBondContact O-CB 3.18Å; T226-N230 VanDerWaalsContact O-CG 3.25Å; T226-N230 PolarHBondContact O-N 3.38Å; T226-N230 PolarHBondContact O-ND2 3.38Å; N230-N234 WeakPolarHBondContact O-CB 3.24Å; N230-N234 PolarHBondContact O-N 3.24Å
231W95.6Very high92.1Very high50 Ų5058 Ų5819%0.18930%0.302CS..Hα-helixtrans-61.4-51.3176.5-178.690.4000110.6I163 L204 T206 S216 T218 A227 I228 H229 K233 N234 Q235I163-W231 HydrophobicContact CD1-CH2 4.29Å; I163-W231 HydrophobicContact CD1-CZ3 4.13Å; I163-W231 HydrophobicContact CG2-CH2 4.32Å; I163-W231 HydrophobicContact CG2-CZ3 3.76Å; L204-W231 HydrophobicContact CB-CE3 4.14Å; L204-W231 HydrophobicContact CB-CH2 3.67Å; L204-W231 HydrophobicContact CB-CZ2 4.33Å; L204-W231 HydrophobicContact CB-CZ3 3.55Å; L204-W231 HydrophobicContact CD1-CD2 4.5Å; L204-W231 HydrophobicContact CD1-CE3 3.62Å; L204-W231 HydrophobicContact CD1-CZ3 3.67Å; L204-W231 HydrophobicContact CG-CZ3 4.25Å; T206-W231 WeakPolarHBondContact OG1-CH2 3.46Å; S216-W231 WeakPolarHBondContact O-CZ2 3.33Å; T218-W231 HydrophobicContact CG2-CD2 3.96Å; T218-W231 HydrophobicContact CG2-CG 4.29Å; T218-W231 HydrophobicContact CG2-CZ2 3.96Å; A227-W231 WeakPolarHBondContact O-CB 3.33Å; A227-W231 PolarHBondContact O-N 3.43Å; I228-W231 PolarHBondContact O-N 2.88Å; H229-W231 VanDerWaalsContact C-N 3.35Å; H229-W231 PolarHBondContact O-N 3.01Å; W231-K233 PolarHBondContact O-N 3.45Å; W231-N234 PolarHBondContact O-N 3.36Å; W231-Q235 HydrophobicContact CD2-CG 4.05Å; W231-Q235 HydrophobicContact CE3-CG 4.21Å; W231-Q235 HydrophobicContact CH2-CG 3.8Å; W231-Q235 HydrophobicContact CZ2-CG 3.6Å; W231-Q235 HydrophobicContact CZ3-CG 4.1Å; W231-Q235 WeakPolarHBondContact O-CG 3.28Å; W231-Q235 PolarHBondContact O-N 2.65Å; W231-Q235 VanDerWaalsContact O-N 3.12Å
232V95.2Very high92.2Very high0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-58.7-50178.4167.30000111.3I163 V181 E185 F191 L204 I228 H229 N234 Q235 C236I163-V232 HydrophobicContact CG1-CG1 4.3Å; I163-V232 HydrophobicContact CG2-CG2 4.29Å; V181-V232 HydrophobicContact CG1-CB 3.68Å; V181-V232 HydrophobicContact CG1-CG1 3.84Å; V181-V232 HydrophobicContact CG1-CG2 3.66Å; E185-V232 HydrophobicContact CB-CG1 4.02Å; E185-V232 HydrophobicContact CG-CG1 3.99Å; F191-V232 HydrophobicContact CE1-CG1 3.65Å; F191-V232 HydrophobicContact CE1-CG2 4.48Å; F191-V232 HydrophobicContact CZ-CG1 3.77Å; L204-V232 HydrophobicContact CD1-CG2 4.49Å; I228-V232 HydrophobicContact CG2-CG2 4.4Å; I228-V232 WeakPolarHBondContact O-CB 3.26Å; I228-V232 WeakPolarHBondContact O-CG2 3.42Å; I228-V232 PolarHBondContact O-N 2.93Å; H229-V232 PolarHBondContact O-N 3.45Å; V232-N234 PolarHBondContact O-N 3.21Å; V232-Q235 PolarHBondContact O-N 3.24Å; V232-C236 WeakPolarHBondContact O-CB 3.37Å; V232-C236 PolarHBondContact O-N 3.28Å; V232-C236 PolarHBondContact O-SG 3.41Å
233K92.3Very high92.4Very high116 Ų11648 Ų4850%0.50425%0.253SS..Hα-helixtrans-54.3-42.8179.5-178.9179.6178-178.50111.4H229 W231 C236 N237H229-K233 WeakPolarHBondContact O-CB 3.41Å; H229-K233 PolarHBondContact O-N 3.46Å; W231-K233 PolarHBondContact O-N 3.45Å; K233-C236 PolarHBondContact O-N 3.48Å; K233-N237 WeakPolarHBondContact O-CB 3.43Å; K233-N237 PolarHBondContact O-N 3.38Å
234N90.9Very high92.2Very high114 Ų11448.9 Ų48.961%0.6126%0.256SS*.Hα-helixtrans-65.3-39.3177.3-174.167.9000112.7N230 W231 V232N230-N234 WeakPolarHBondContact O-CB 3.24Å; N230-N234 PolarHBondContact O-N 3.24Å; W231-N234 PolarHBondContact O-N 3.36Å; V232-N234 PolarHBondContact O-N 3.21Å
235Q90.9Very high91.9Very high32 Ų3251.2 Ų51.215%0.1526%0.263CS..Hα-helixtrans-71.4-36.5177.6-57-48.7-45.900112.7K161 I163 T206 S216 W231 V232K161-Q235 PolarHBondContact NZ-O 2.91Å; I163-Q235 HydrophobicContact CD1-CB 3.72Å; I163-Q235 HydrophobicContact CD1-CG 4.36Å; T206-Q235 HydrophobicContact CG2-CB 4.23Å; T206-Q235 WeakPolarHBondContact OG1-CB 3.48Å; T206-Q235 VanDerWaalsContact OG1-CG 3.28Å; T206-Q235 WeakPolarHBondContact OG1-CG 3.47Å; S216-Q235 PolarHBondContact OG-OE1 3.45Å; W231-Q235 HydrophobicContact CD2-CG 4.05Å; W231-Q235 HydrophobicContact CE3-CG 4.21Å; W231-Q235 HydrophobicContact CH2-CG 3.8Å; W231-Q235 HydrophobicContact CZ2-CG 3.6Å; W231-Q235 HydrophobicContact CZ3-CG 4.1Å; W231-Q235 WeakPolarHBondContact O-CG 3.28Å; W231-Q235 PolarHBondContact O-N 2.65Å; W231-Q235 VanDerWaalsContact O-N 3.12Å; V232-Q235 PolarHBondContact O-N 3.24Å
236C88.8Confident91.6Very high9 Ų954.1 Ų54.16%0.06129%0.287CS..Hα-helixtrans-79.7-24.5-177.2-65.20000113.4C189 V232 K233 S238C189-C236 HydrophobicContact CB-CB 4.11Å; C189-C236 WeakPolarHBondContact CB-SG 3.46Å; C189-C236 WeakPolarHBondContact SG-CA 3.43Å; C189-C236 WeakPolarHBondContact SG-CB 3.01Å; C189-C236 CovalentContact SG-SG 2.03Å; C189-C236 PolarHBondContact SG-SG 2.7Å; V232-C236 WeakPolarHBondContact O-CB 3.37Å; V232-C236 PolarHBondContact O-N 3.28Å; V232-C236 PolarHBondContact O-SG 3.41Å; K233-C236 PolarHBondContact O-N 3.48Å; C236-S238 PolarHBondContact O-N 3.22Å
237N85.1Confident91.3Very high107 Ų10753 Ų5357%0.57228%0.278SS*.  trans-60.3135.1175.4-168.840.4000110.6K161 K233K161-N237 PolarHBondContact NZ-O 3.07Å; K233-N237 WeakPolarHBondContact O-CB 3.43Å; K233-N237 PolarHBondContact O-N 3.38Å
238S84.3Confident91Very high32 Ų3250.8 Ų50.822%0.22426%0.26CS..  trans-126.4124.9174.2-1690000108.4C236 V240C236-S238 PolarHBondContact O-N 3.22Å; S238-V240 WeakPolarHBondContact CB-O 3.14Å; S238-V240 PolarHBondContact O-N 3.19Å; S238-V240 PolarHBondContact OG-O 3.28Å
239L90.2Very high90.7Very high26 Ų2652 Ų5214%0.13627%0.266CS..SBendtrans-63.6-34.2175.6179.758000111.3V278 N279 Q286 F291L239-V278 HydrophobicContact CD2-CG1 3.67Å; L239-V278 HydrophobicContact CG-CG1 3.93Å; L239-N279 WeakPolarHBondContact CB-OD1 3.29Å; L239-Q286 HydrophobicContact CD1-CB 3.42Å; L239-Q286 VanDerWaalsContact CD1-CB 3.42Å; L239-F291 HydrophobicContact CD1-CD2 3.89Å; L239-F291 HydrophobicContact CD1-CE2 4.28Å; L239-F291 HydrophobicContact CD2-CD2 4.44Å; L239-F291 HydrophobicContact CG-CD2 3.94Å; L239-F291 HydrophobicContact CG-CE2 4.49Å
240V93Very high90.4Very high2 Ų253.1 Ų53.11%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-102126.5174.2-173.10000109.8S238 F274 M275 V278 F291 T293S238-V240 WeakPolarHBondContact CB-O 3.14Å; S238-V240 PolarHBondContact O-N 3.19Å; S238-V240 PolarHBondContact OG-O 3.28Å; V240-F274 HydrophobicContact CG1-CD1 4.14Å; V240-F274 HydrophobicContact CG1-CE1 3.96Å; V240-F274 HydrophobicContact CG2-CE1 4.48Å; V240-M275 HydrophobicContact CB-CB 4.49Å; V240-M275 HydrophobicContact CB-CE 4.34Å; V240-M275 HydrophobicContact CB-CG 3.76Å; V240-M275 HydrophobicContact CB-SD 4.41Å; V240-M275 HydrophobicContact CG1-CE 4Å; V240-M275 HydrophobicContact CG1-CG 3.8Å; V240-M275 HydrophobicContact CG2-CB 4.42Å; V240-M275 HydrophobicContact CG2-CG 4.15Å; V240-V278 HydrophobicContact CG2-CB 3.69Å; V240-V278 HydrophobicContact CG2-CG1 3.58Å; V240-V278 HydrophobicContact CG2-CG2 4.09Å; V240-F291 WeakPolarHBondContact CA-O 3.49Å; V240-F291 HydrophobicContact CB-CB 4.49Å; V240-F291 HydrophobicContact CG2-CB 3.92Å; V240-T293 HydrophobicContact CG1-CG2 3.81Å
241R91.4Very high90.2Very high54 Ų5448.9 Ų48.920%0.20425%0.248CC..EExtended strand (participates in β ladder)trans-115.6144.7179-66.5176.2-78.2-175.8-8.4110.5I243 I251 E254 N290 F291 V292 T293R241-I243 PolarHBondContact O-N 2.67Å; R241-I251 HydrophobicContact CB-CD1 4.5Å; R241-E254 IonicContact CZ-OE1 3.09Å; R241-E254 IonicContact CZ-OE2 3.75Å; R241-E254 IonicContact NH1-OE1 3.82Å; R241-E254 PolarHBondContact NH1-OE1 2.94Å; R241-E254 IonicContact NH1-OE2 3.6Å; R241-E254 PolarHBondContact NH1-OE2 3.44Å; R241-E254 IonicContact NH2-OE1 2.68Å; R241-E254 IonicContact NH2-OE2 3.24Å; R241-E254 PolarHBondContact NH2-OE2 3.37Å; R241-N290 PolarHBondContact NH2-ND2 3.1Å; R241-N290 PolarHBondContact NH2-OD1 2.81Å; R241-F291 PolarHBondContact N-O 2.82Å; R241-F291 VanDerWaalsContact N-O 3.09Å; R241-V292 HydrophobicContact CB-CG1 4.49Å; R241-V292 CarbonylContact O-C 3.45Å; R241-V292 WeakPolarHBondContact O-CA 3.35Å; R241-V292 WeakPolarHBondContact O-CB 3.47Å; R241-T293 PolarHBondContact O-N 3.41Å
242E91.7Very high89.9Confident90 Ų9046.9 Ų46.942%0.42124%0.241SC..EExtended strand (participates in β ladder)trans-74.9127.8165.9-171.2-179.617400108.8T244 N247 Y263 T293E242-T244 HydrophobicContact CG-CG2 4.16Å; E242-N247 PolarHBondContact O-ND2 2.88Å; E242-Y263 PolarHBondContact OE1-OH 3.42Å; E242-T293 CarbonylContact C-O 3.54Å; E242-T293 WeakPolarHBondContact CA-O 3.06Å
243I93.2Very high89.5Confident0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-85128.6170.2-172.3159.8000109.2R241 A248 I251 L258 L260 V292 T293 A294 F299 F387R241-I243 PolarHBondContact O-N 2.67Å; I243-A248 HydrophobicContact CD1-CB 3.98Å; I243-A248 HydrophobicContact CG1-CB 3.9Å; I243-I251 HydrophobicContact CB-CD1 4.16Å; I243-I251 HydrophobicContact CD1-CD1 4.49Å; I243-I251 HydrophobicContact CG1-CD1 4.18Å; I243-L258 HydrophobicContact CD1-CD1 4.16Å; I243-L260 HydrophobicContact CG2-CD2 4.37Å; I243-V292 HydrophobicContact CB-CB 4.28Å; I243-V292 HydrophobicContact CB-CG2 4.45Å; I243-V292 HydrophobicContact CG2-CB 4.37Å; I243-V292 HydrophobicContact CG2-CG2 4.21Å; I243-T293 WeakPolarHBondContact CG2-O 3.4Å; I243-T293 PolarHBondContact N-O 2.93Å; I243-A294 HydrophobicContact CG2-CB 3.59Å; I243-F299 HydrophobicContact CG1-CZ 4.38Å; I243-F299 HydrophobicContact CG2-CE2 4.4Å; I243-F299 HydrophobicContact CG2-CZ 4.4Å; I243-F299 WeakPolarHBondContact O-CE2 3.22Å; I243-F387 HydrophobicContact CD1-CD1 3.65Å; I243-F387 HydrophobicContact CD1-CE1 3.66Å; I243-F387 HydrophobicContact CG1-CE1 4.38Å; I243-F387 HydrophobicContact CG2-CE1 4.35Å
244T91.1Very high89.4Confident38 Ų3845.6 Ų45.623%0.23324%0.237CC..  trans-133165178.469.90000108.6E242 S246 N247 A248E242-T244 HydrophobicContact CG-CG2 4.16Å; T244-S246 PolarHBondContact O-N 3Å; T244-S246 PolarHBondContact OG1-N 3.42Å; T244-S246 PolarHBondContact OG1-OG 3.27Å; T244-N247 PolarHBondContact N-OD1 2.82Å; T244-N247 PolarHBondContact O-N 3.32Å; T244-N247 PolarHBondContact O-OD1 2.77Å; T244-N247 VanDerWaalsContact O-OD1 3.08Å; T244-N247 PolarHBondContact OG1-N 3.43Å; T244-N247 PolarHBondContact OG1-OD1 2.92Å; T244-A248 WeakPolarHBondContact O-CB 3.5Å; T244-A248 PolarHBondContact O-N 2.77Å
245F88.6Confident89.3Confident134 Ų13447.6 Ų47.659%0.58824%0.236SC*.THydrogen-bonded Turntrans-61-26.5175.2-65.9-65.2000113.4T298 F299 L390F245-T298 HydrophobicContact CD2-CG2 4.04Å; F245-T298 HydrophobicContact CE2-CG2 3.45Å; F245-T298 VanDerWaalsContact CE2-CG2 3.45Å; F245-T298 HydrophobicContact CZ-CG2 4.28Å; F245-F299 HydrophobicContact CD1-CE1 4.29Å; F245-F299 HydrophobicContact CE1-CD1 4.38Å; F245-F299 AromaticContact CE1-CE1 3.9Å; F245-F299 HydrophobicContact CE1-CE1 3.9Å; F245-F299 HydrophobicContact CE1-CZ 4.45Å; F245-F299 HydrophobicContact CZ-CD1 4.37Å; F245-F299 HydrophobicContact CZ-CE1 4.17Å; F245-L390 HydrophobicContact CD1-CD2 4.37Å
246S85.6Confident89.5Confident103 Ų10348 Ų4872%0.7224%0.239SC*.THydrogen-bonded Turntrans-77.8-26.6-179.7570000113.5T244T244-S246 PolarHBondContact O-N 3Å; T244-S246 PolarHBondContact OG1-N 3.42Å; T244-S246 PolarHBondContact OG1-OG 3.27Å
247N88.3Confident89.9Confident43 Ų4349 Ų4923%0.2325%0.246CC..THydrogen-bonded Turntrans-113.5-9.8-177.674.49.5000114.4E242 T244 E249 E250 I251E242-N247 PolarHBondContact O-ND2 2.88Å; T244-N247 PolarHBondContact N-OD1 2.82Å; T244-N247 PolarHBondContact O-N 3.32Å; T244-N247 PolarHBondContact O-OD1 2.77Å; T244-N247 VanDerWaalsContact O-OD1 3.08Å; T244-N247 PolarHBondContact OG1-N 3.43Å; T244-N247 PolarHBondContact OG1-OD1 2.92Å; N247-E249 PolarHBondContact O-N 2.68Å; N247-E250 WeakPolarHBondContact O-CB 3.47Å; N247-E250 PolarHBondContact O-N 3Å; N247-I251 PolarHBondContact O-N 2.87Å
248A89.9Confident90.5Very high1 Ų144 Ų441%0.00822%0.219CC..Hα-helixtrans-57.2-38.8-175.700000112.3I243 T244 E250 I251 T252 L390I243-A248 HydrophobicContact CD1-CB 3.98Å; I243-A248 HydrophobicContact CG1-CB 3.9Å; T244-A248 WeakPolarHBondContact O-CB 3.5Å; T244-A248 PolarHBondContact O-N 2.77Å; A248-E250 VanDerWaalsContact C-N 3.31Å; A248-E250 PolarHBondContact O-N 2.82Å; A248-I251 PolarHBondContact O-N 2.86Å; A248-T252 WeakPolarHBondContact O-CB 3.43Å; A248-T252 VanDerWaalsContact O-CG2 3.25Å; A248-T252 WeakPolarHBondContact O-CG2 3.17Å; A248-T252 PolarHBondContact O-N 3.19Å; A248-T252 PolarHBondContact O-OG1 2.85Å; A248-L390 HydrophobicContact CB-CB 3.78Å; A248-L390 HydrophobicContact CB-CD1 3.51Å; A248-L390 HydrophobicContact CB-CG 4.18Å
249E88.5Confident91.1Very high29 Ų2942.4 Ų42.414%0.13621%0.208CC..Hα-helixtrans-61-39.4176.2-161.4-168.313300112.1K98 R116 N247 T252 E253 L390 P392 Y397K98-E249 IonicContact NZ-OE1 2.84Å; R116-E249 IonicContact CZ-OE1 2.77Å; R116-E249 VanDerWaalsContact NH1-CD 3.26Å; R116-E249 IonicContact NH1-OE1 3.96Å; R116-E249 PolarHBondContact NH1-OE1 3.31Å; N247-E249 PolarHBondContact O-N 2.68Å; E249-T252 PolarHBondContact O-OG1 3.05Å; E249-E253 WeakPolarHBondContact O-CB 3.21Å; E249-E253 PolarHBondContact O-N 2.95Å; E249-E253 VanDerWaalsContact O-N 3.1Å; E249-L390 WeakPolarHBondContact CA-O 3.16Å; E249-L390 WeakPolarHBondContact CB-O 3.14Å; E249-L390 PolarHBondContact N-O 3.37Å; E249-P392 HydrophobicContact CG-CB 4.26Å; E249-P392 HydrophobicContact CG-CG 3.84Å; E249-Y397 WeakPolarHBondContact OE1-CE2 3.34Å; E249-Y397 PolarHBondContact OE1-OH 2.76Å
250E88.8Confident91.5Very high45 Ų4541.2 Ų41.221%0.2120%0.202CC..Hα-helixtrans-67.1-44.5175.8-175.5-173.6148.800111.8N247 A248N247-E250 WeakPolarHBondContact O-CB 3.47Å; N247-E250 PolarHBondContact O-N 3Å; A248-E250 VanDerWaalsContact C-N 3.31Å; A248-E250 PolarHBondContact O-N 2.82Å
251I90.8Very high91.7Very high2 Ų241.1 Ų41.11%0.0120%0.201CC..Hα-helixtrans-66.2-44.3-178.8-65.3173.7000110.8R241 I243 N247 A248 E253 E254 L258 N290 V292R241-I251 HydrophobicContact CB-CD1 4.5Å; I243-I251 HydrophobicContact CB-CD1 4.16Å; I243-I251 HydrophobicContact CD1-CD1 4.49Å; I243-I251 HydrophobicContact CG1-CD1 4.18Å; N247-I251 PolarHBondContact O-N 2.87Å; A248-I251 PolarHBondContact O-N 2.86Å; I251-E253 VanDerWaalsContact C-N 3.35Å; I251-E254 WeakPolarHBondContact O-CB 3.23Å; I251-E254 PolarHBondContact O-N 2.77Å; I251-L258 HydrophobicContact CG2-CD2 3.73Å; I251-N290 PolarHBondContact O-ND2 2.76Å; I251-V292 HydrophobicContact CD1-CG1 4.23Å; I251-V292 HydrophobicContact CG2-CG1 4.14Å
252T89.2Confident92Very high7 Ų738.5 Ų38.54%0.04319%0.191CC..Hα-helixtrans-72.5-28-177.956.50000112.9A248 E249 E254 R255 F321 L390 S391A248-T252 WeakPolarHBondContact O-CB 3.43Å; A248-T252 VanDerWaalsContact O-CG2 3.25Å; A248-T252 WeakPolarHBondContact O-CG2 3.17Å; A248-T252 PolarHBondContact O-N 3.19Å; A248-T252 PolarHBondContact O-OG1 2.85Å; E249-T252 PolarHBondContact O-OG1 3.05Å; T252-E254 PolarHBondContact O-N 2.96Å; T252-R255 PolarHBondContact O-N 3.45Å; T252-F321 HydrophobicContact CG2-CE1 3.47Å; T252-F321 VanDerWaalsContact CG2-CE1 3.47Å; T252-F321 HydrophobicContact CG2-CZ 3.72Å; T252-L390 PolarHBondContact OG1-O 3.23Å; T252-S391 WeakPolarHBondContact OG1-CA 2.91Å
253E87.9Confident92.2Very high35 Ų3535 Ų3516%0.16418%0.175CC..Hα-helixtrans-66.3-19.5174.9-176.7163.2-142.900113.7K98 R116 E249 I251 R255 P392K98-E253 WeakPolarHBondContact CD-OE1 3.42Å; K98-E253 WeakPolarHBondContact CE-OE1 3.32Å; K98-E253 IonicContact NZ-OE1 2.9Å; K98-E253 PolarHBondContact NZ-OE1 3.09Å; K98-E253 IonicContact NZ-OE2 2.73Å; K98-E253 PolarHBondContact NZ-OE2 3.41Å; R116-E253 IonicContact CZ-OE2 3.9Å; R116-E253 VanDerWaalsContact CZ-OE2 3.25Å; R116-E253 IonicContact NH1-OE2 3.57Å; R116-E253 PolarHBondContact NH1-OE2 3.5Å; R116-E253 IonicContact NH2-OE2 3.45Å; R116-E253 PolarHBondContact NH2-OE2 3.44Å; E249-E253 WeakPolarHBondContact O-CB 3.21Å; E249-E253 PolarHBondContact O-N 2.95Å; E249-E253 VanDerWaalsContact O-N 3.1Å; I251-E253 VanDerWaalsContact C-N 3.35Å; E253-R255 PolarHBondContact O-N 3.01Å; E253-P392 HydrophobicContact CB-CG 4.15Å; E253-P392 HydrophobicContact CG-CG 4.22Å
254E89.3Confident92.3Very high55 Ų5537.2 Ų37.226%0.25719%0.186SC..THydrogen-bonded Turntrans-67.5-15.4171.1-63.5176.617600112.1K112 R241 I251 T252 L256 N290K112-E254 IonicContact NZ-OE1 2.7Å; K112-E254 PolarHBondContact NZ-OE1 3.47Å; R241-E254 IonicContact CZ-OE1 3.09Å; R241-E254 IonicContact CZ-OE2 3.75Å; R241-E254 IonicContact NH1-OE1 3.82Å; R241-E254 PolarHBondContact NH1-OE1 2.94Å; R241-E254 IonicContact NH1-OE2 3.6Å; R241-E254 PolarHBondContact NH1-OE2 3.44Å; R241-E254 IonicContact NH2-OE1 2.68Å; R241-E254 IonicContact NH2-OE2 3.24Å; R241-E254 PolarHBondContact NH2-OE2 3.37Å; I251-E254 WeakPolarHBondContact O-CB 3.23Å; I251-E254 PolarHBondContact O-N 2.77Å; T252-E254 PolarHBondContact O-N 2.96Å; E254-L256 PolarHBondContact O-N 2.94Å; E254-L256 VanDerWaalsContact O-N 3.15Å; E254-N290 PolarHBondContact OE2-ND2 2.96Å; E254-N290 PolarHBondContact OE2-OD1 3.11Å; E254-N290 VanDerWaalsContact OE2-OD1 3.13Å
255R89.8Confident92.4Very high156 Ų15637.2 Ų37.259%0.58919%0.187SC*.  trans56.921.4178-59.7-175.7178.4-171.7-3.1114.9T252 E253T252-R255 PolarHBondContact O-N 3.45Å; E253-R255 PolarHBondContact O-N 3.01Å
256L94.7Very high92.5Very high39 Ų3939 Ų3920%0.20420%0.197CC..PPolyproline II helixtrans-93.2136.5171.8-59.8-178000109.4E254 S287 N290 F321E254-L256 PolarHBondContact O-N 2.94Å; E254-L256 VanDerWaalsContact O-N 3.15Å; L256-S287 WeakPolarHBondContact CD2-O 3.38Å; L256-N290 HydrophobicContact CB-CB 4.47Å; L256-F321 WeakPolarHBondContact O-CE2 3.42Å
257P96.8Very high92.7Very high32 Ų3237.1 Ų37.121%0.20818%0.179CC..PPolyproline II helixtrans-48.5148.4169.5-28.234.4000112.4T288 V289 N290 D319 L348P257-T288 WeakPolarHBondContact CD-O 3.41Å; P257-V289 WeakPolarHBondContact O-CA 3.45Å; P257-V289 WeakPolarHBondContact O-CG1 3.23Å; P257-N290 PolarHBondContact O-N 3.25Å; P257-D319 CarbonylContact C-O 3.55Å; P257-D319 VanDerWaalsContact CA-O 3.23Å; P257-D319 WeakPolarHBondContact CA-O 3.23Å; P257-D319 WeakPolarHBondContact CB-O 3.28Å; P257-L348 HydrophobicContact CB-CD2 3.63Å; P257-L348 HydrophobicContact CG-CD2 3.98Å
258L97.4Very high92.6Very high0 Ų040.9 Ų40.90%019%0.193CC..EExtended strand (participates in β ladder)trans-101127.2-179.3-51.9-176.3000109.9I243 I251 L260 N290 V292 L318 D319 F321 F387I243-L258 HydrophobicContact CD1-CD1 4.16Å; I251-L258 HydrophobicContact CG2-CD2 3.73Å; L258-L260 HydrophobicContact CB-CD1 3.57Å; L258-L260 HydrophobicContact CB-CG 3.91Å; L258-L260 HydrophobicContact CD1-CD1 4.44Å; L258-L260 HydrophobicContact CD1-CD2 4.37Å; L258-N290 CarbonylContact C-O 3.6Å; L258-N290 VanDerWaalsContact CA-O 3.31Å; L258-N290 WeakPolarHBondContact CA-O 3.46Å; L258-N290 HydrophobicContact CD2-CB 3.62Å; L258-V292 HydrophobicContact CB-CG2 4.25Å; L258-L318 CarbonylContact O-C 3.59Å; L258-L318 VanDerWaalsContact O-CA 3.29Å; L258-L318 WeakPolarHBondContact O-CA 2.98Å; L258-D319 HydrophobicContact CB-CB 4.26Å; L258-D319 PolarHBondContact N-O 3.49Å; L258-D319 PolarHBondContact O-N 3.36Å; L258-F321 HydrophobicContact CD1-CE1 4.15Å; L258-F321 HydrophobicContact CD1-CZ 4.14Å; L258-F321 HydrophobicContact CD2-CZ 4.07Å; L258-F321 HydrophobicContact CG-CE1 4.27Å; L258-F321 HydrophobicContact CG-CZ 3.87Å; L258-F387 HydrophobicContact CD1-CB 4.43Å; L258-F387 HydrophobicContact CD1-CD1 4.33Å; L258-F387 HydrophobicContact CD1-CG 4.34Å
259M98Very high92.5Very high0 Ų044.8 Ų44.80%022%0.22CC..EExtended strand (participates in β ladder)trans-91.4107.4157.8-178.3178.8-73.300107.9F274 L282 V289 N290 F291 V292 I316 L318 L341 V345M259-F274 HydrophobicContact CG-CZ 4.19Å; M259-F274 HydrophobicContact SD-CE2 4.13Å; M259-F274 HydrophobicContact SD-CZ 4.14Å; M259-L282 HydrophobicContact CE-CD1 4.43Å; M259-L282 HydrophobicContact SD-CD1 4.21Å; M259-V289 HydrophobicContact CB-CG1 3.87Å; M259-N290 PolarHBondContact N-O 3.49Å; M259-F291 HydrophobicContact CB-CD1 3.78Å; M259-F291 HydrophobicContact CB-CE1 4.14Å; M259-F291 HydrophobicContact CE-CE1 4.13Å; M259-F291 HydrophobicContact CG-CD1 4.19Å; M259-F291 HydrophobicContact SD-CD1 3.73Å; M259-F291 HydrophobicContact SD-CE1 3.67Å; M259-V292 PolarHBondContact O-N 3.25Å; M259-I316 HydrophobicContact CG-CG2 4Å; M259-I316 HydrophobicContact SD-CG2 4.47Å; M259-L318 HydrophobicContact CB-CD2 3.72Å; M259-L318 HydrophobicContact CE-CD2 4.04Å; M259-L318 HydrophobicContact CG-CD2 4.19Å; M259-L341 HydrophobicContact CE-CB 4.29Å; M259-L341 HydrophobicContact CE-CD2 4.38Å; M259-L341 HydrophobicContact SD-CD1 4.34Å; M259-V345 HydrophobicContact CE-CG2 3.36Å
260L97.3Very high92.7Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-101.3128.8-177.4-56.8105.4000110.8I243 L258 F262 V292 A294 I316 C317 D319 F387I243-L260 HydrophobicContact CG2-CD2 4.37Å; L258-L260 HydrophobicContact CB-CD1 3.57Å; L258-L260 HydrophobicContact CB-CG 3.91Å; L258-L260 HydrophobicContact CD1-CD1 4.44Å; L258-L260 HydrophobicContact CD1-CD2 4.37Å; L260-F262 HydrophobicContact CB-CD2 4.41Å; L260-F262 HydrophobicContact CB-CE2 4.21Å; L260-F262 HydrophobicContact CD2-CE2 4.44Å; L260-F262 HydrophobicContact CD2-CZ 4.3Å; L260-V292 CarbonylContact C-O 3.43Å; L260-V292 WeakPolarHBondContact CA-O 3.46Å; L260-V292 HydrophobicContact CB-CG2 4.17Å; L260-V292 HydrophobicContact CD2-CG2 3.72Å; L260-V292 HydrophobicContact CG-CG2 3.54Å; L260-A294 HydrophobicContact CD2-CB 4.36Å; L260-I316 CarbonylContact O-C 3.59Å; L260-I316 VanDerWaalsContact O-CA 3.25Å; L260-I316 WeakPolarHBondContact O-CA 3.46Å; L260-C317 PolarHBondContact N-O 2.91Å; L260-C317 PolarHBondContact O-N 3.06Å; L260-D319 HydrophobicContact CD1-CB 3.58Å; L260-F387 HydrophobicContact CD2-CD2 4.45Å; L260-F387 HydrophobicContact CD2-CE1 3.93Å; L260-F387 HydrophobicContact CD2-CE2 3.72Å; L260-F387 HydrophobicContact CD2-CZ 3.43Å; L260-F387 VanDerWaalsContact CD2-CZ 3.43Å
261L97.9Very high92.9Very high0 Ų042.5 Ų42.50%021%0.211CC..EExtended strand (participates in β ladder)trans-92.5111.5155.6175.674.4000108.8V271 F274 V292 T293 A294 P314 I316 L331L261-V271 HydrophobicContact CD2-CG2 4.31Å; L261-F274 HydrophobicContact CB-CD1 3.85Å; L261-F274 HydrophobicContact CB-CD2 4.38Å; L261-F274 HydrophobicContact CB-CE1 3.94Å; L261-F274 HydrophobicContact CB-CE2 4.48Å; L261-F274 HydrophobicContact CB-CG 4.08Å; L261-F274 HydrophobicContact CB-CZ 4.27Å; L261-F274 HydrophobicContact CD2-CB 3.65Å; L261-F274 HydrophobicContact CD2-CD1 4.04Å; L261-F274 HydrophobicContact CD2-CG 3.89Å; L261-F274 HydrophobicContact CG-CG 4.46Å; L261-V292 PolarHBondContact N-O 2.92Å; L261-T293 HydrophobicContact CB-CG2 4.09Å; L261-T293 HydrophobicContact CD2-CG2 4.12Å; L261-T293 CarbonylContact O-C 3.53Å; L261-T293 WeakPolarHBondContact O-CA 3.1Å; L261-A294 PolarHBondContact O-N 2.94Å; L261-P314 HydrophobicContact CD1-CB 4.36Å; L261-I316 HydrophobicContact CB-CG1 4.49Å; L261-I316 HydrophobicContact CD1-CG1 3.9Å; L261-L331 HydrophobicContact CD1-CD1 3.78Å; L261-L331 HydrophobicContact CD1-CD2 3.74Å; L261-L331 HydrophobicContact CD1-CG 4.46Å
262F97.3Very high92.7Very high0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-81.3125.9164.3-75.1-78.3000109.4L260 A294 F299 P302 L303 L306 L313 P314 F315 C317 M324 F387L260-F262 HydrophobicContact CB-CD2 4.41Å; L260-F262 HydrophobicContact CB-CE2 4.21Å; L260-F262 HydrophobicContact CD2-CE2 4.44Å; L260-F262 HydrophobicContact CD2-CZ 4.3Å; F262-A294 WeakPolarHBondContact CA-O 3.44Å; F262-A294 HydrophobicContact CD1-CB 3.56Å; F262-A294 HydrophobicContact CE1-CB 3.56Å; F262-A294 HydrophobicContact CG-CB 4.35Å; F262-A294 HydrophobicContact CZ-CB 4.34Å; F262-F299 HydrophobicContact CE1-CB 3.82Å; F262-P302 HydrophobicContact CZ-CB 4.16Å; F262-L303 HydrophobicContact CB-CD1 4.4Å; F262-L303 HydrophobicContact CD1-CD1 3.31Å; F262-L303 HydrophobicContact CD2-CD1 4.43Å; F262-L303 HydrophobicContact CE1-CD1 3.48Å; F262-L303 VanDerWaalsContact CE1-CD1 3.48Å; F262-L303 HydrophobicContact CG-CD1 3.81Å; F262-L303 HydrophobicContact CZ-CD1 4.12Å; F262-L306 HydrophobicContact CE2-CD1 4.33Å; F262-L313 HydrophobicContact CB-CD2 3.66Å; F262-P314 WeakPolarHBondContact O-CA 3.48Å; F262-P314 WeakPolarHBondContact O-CB 3.46Å; F262-F315 HydrophobicContact CB-CD1 4.32Å; F262-F315 HydrophobicContact CB-CE1 3.94Å; F262-F315 HydrophobicContact CB-CE2 4.41Å; F262-F315 HydrophobicContact CB-CZ 3.99Å; F262-F315 HydrophobicContact CD2-CD2 4.46Å; F262-F315 HydrophobicContact CD2-CE1 4.48Å; F262-F315 AromaticContact CD2-CE2 3.67Å; F262-F315 HydrophobicContact CD2-CE2 3.67Å; F262-F315 AromaticContact CD2-CZ 3.68Å; F262-F315 HydrophobicContact CD2-CZ 3.68Å; F262-F315 HydrophobicContact CE2-CE2 4.38Å; F262-F315 HydrophobicContact CE2-CZ 4.42Å; F262-F315 HydrophobicContact CG-CE1 4.45Å; F262-F315 HydrophobicContact CG-CE2 4.39Å; F262-F315 HydrophobicContact CG-CZ 4.03Å; F262-F315 PolarHBondContact N-O 3.18Å; F262-F315 PolarHBondContact O-N 2.94Å; F262-F315 VanDerWaalsContact O-N 3.14Å; F262-C317 VanDerWaalsContact CE2-SG 3.59Å; F262-M324 HydrophobicContact CE2-CE 4.15Å; F262-M324 HydrophobicContact CZ-CE 4.39Å; F262-F387 HydrophobicContact CE1-CZ 4.34Å; F262-F387 AromaticContact CZ-CE2 3.92Å; F262-F387 HydrophobicContact CZ-CE2 3.92Å; F262-F387 AromaticContact CZ-CZ 3.88Å; F262-F387 HydrophobicContact CZ-CZ 3.88Å
263Y96.6Very high92.8Very high17 Ų1748.9 Ų48.97%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-132.6155.6-177.571.1-77.9000112.2E242 V271 A294 N295 G296E242-Y263 PolarHBondContact OE1-OH 3.42Å; Y263-V271 HydrophobicContact CD1-CG2 3.61Å; Y263-V271 HydrophobicContact CD2-CG2 3.33Å; Y263-V271 HydrophobicContact CE1-CG2 3.84Å; Y263-V271 HydrophobicContact CE2-CG2 3.59Å; Y263-V271 HydrophobicContact CG-CG2 3.36Å; Y263-A294 WeakPolarHBondContact CD1-O 3.36Å; Y263-A294 WeakPolarHBondContact CE1-O 3.28Å; Y263-A294 PolarHBondContact N-O 2.96Å; Y263-N295 HydrophobicContact CE1-CB 4.48Å; Y263-G296 PolarHBondContact O-N 2.98Å
264N95.5Very high93.2Very high45 Ų4547.2 Ų47.224%0.24123%0.23CC..  trans-78.7126.5167.7179.1-20000108.5E266 N267 L313N264-E266 PolarHBondContact O-N 3.31Å; N264-E266 WeakPolarHBondContact OD1-CB 3.42Å; N264-E266 WeakPolarHBondContact OD1-CG 3.38Å; N264-E266 PolarHBondContact OD1-N 2.97Å; N264-N267 WeakPolarHBondContact O-CA 3.41Å; N264-N267 PolarHBondContact O-N 2.95Å; N264-L313 HydrophobicContact CB-CB 4.35Å; N264-L313 HydrophobicContact CB-CD1 4.12Å
265P92.1Very high93.3Very high39 Ų3946 Ų4625%0.25323%0.225SC..THydrogen-bonded Turntrans-58.4-19.2-179.623.6-34.7000115.1N267 N295 I297P265-N267 VanDerWaalsContact C-N 3.31Å; P265-N295 WeakPolarHBondContact CD-OD1 3.47Å; P265-I297 HydrophobicContact CG-CB 4.48Å; P265-I297 HydrophobicContact CG-CD1 3.56Å; P265-I297 HydrophobicContact CG-CG1 4.06Å
266E91.4Very high93.3Very high172 Ų17243.7 Ų43.780%0.80422%0.221SC*.THydrogen-bonded Turntrans-72.6-24.7172.4-62.2176.4160.200112.5N264N264-E266 PolarHBondContact O-N 3.31Å; N264-E266 WeakPolarHBondContact OD1-CB 3.42Å; N264-E266 WeakPolarHBondContact OD1-CG 3.38Å; N264-E266 PolarHBondContact OD1-N 2.97Å
267N89.8Confident93.3Very high63 Ų6342.7 Ų42.734%0.33722%0.215SC..  trans-103.574.8179.5-170.6-11.9000110.6N264 P265 S269 I270N264-N267 WeakPolarHBondContact O-CA 3.41Å; N264-N267 PolarHBondContact O-N 2.95Å; P265-N267 VanDerWaalsContact C-N 3.31Å; N267-S269 VanDerWaalsContact C-N 3.31Å; N267-S269 PolarHBondContact O-N 2.96Å; N267-S269 PolarHBondContact OD1-OG 2.78Å; N267-I270 HydrophobicContact CB-CG2 4.49Å; N267-I270 WeakPolarHBondContact O-CG2 3.43Å; N267-I270 PolarHBondContact OD1-N 3.46Å
268K84.8Confident93.2Very high122 Ų12241.1 Ų41.153%0.5321%0.205SC..Hα-helixtrans-71.3-23.3177-65.5-173.1179.5-177.60113.3E159 I270 V271 N272E159-K268 IonicContact OE1-NZ 2.87Å; E159-K268 PolarHBondContact OE1-NZ 2.77Å; K268-I270 VanDerWaalsContact C-N 3.29Å; K268-I270 PolarHBondContact O-N 2.99Å; K268-V271 WeakPolarHBondContact O-CB 3.4Å; K268-V271 PolarHBondContact O-N 2.93Å; K268-N272 PolarHBondContact O-N 2.71Å; K268-N272 PolarHBondContact O-OD1 3.4Å
269S89.4Confident92.9Very high82 Ų8244.9 Ų44.957%0.57323%0.225SC*.Hα-helixtrans-66.6-30.8-177.259.60000112.7N267 N272 R273N267-S269 VanDerWaalsContact C-N 3.31Å; N267-S269 PolarHBondContact O-N 2.96Å; N267-S269 PolarHBondContact OD1-OG 2.78Å; S269-N272 WeakPolarHBondContact O-CB 3.36Å; S269-N272 PolarHBondContact O-N 2.98Å; S269-R273 PolarHBondContact O-N 2.92Å; S269-R273 VanDerWaalsContact O-N 3.09Å
270I92.7Very high92.7Very high13 Ų1348.1 Ų48.17%0.06725%0.251CS..Hα-helixtrans-69.7-35.6178-16261000113N267 K268 N272 R273 F274 P314 L331N267-I270 HydrophobicContact CB-CG2 4.49Å; N267-I270 WeakPolarHBondContact O-CG2 3.43Å; N267-I270 PolarHBondContact OD1-N 3.46Å; K268-I270 VanDerWaalsContact C-N 3.29Å; K268-I270 PolarHBondContact O-N 2.99Å; I270-N272 VanDerWaalsContact C-N 3.26Å; I270-N272 PolarHBondContact O-N 3.49Å; I270-R273 PolarHBondContact O-N 3.04Å; I270-F274 PolarHBondContact O-N 2.92Å; I270-P314 HydrophobicContact CG1-CB 4.41Å; I270-P314 HydrophobicContact CG1-CG 4.04Å; I270-P314 HydrophobicContact CG2-CB 4.32Å; I270-P314 HydrophobicContact CG2-CG 4.46Å; I270-L331 HydrophobicContact CD1-CD2 3.48Å; I270-L331 VanDerWaalsContact CD1-CD2 3.48Å; I270-L331 HydrophobicContact CD1-CG 4.25Å; I270-L331 HydrophobicContact CG1-CD2 3.25Å; I270-L331 HydrophobicContact CG1-CG 4.45Å
271V92.1Very high92.7Very high13 Ų1352 Ų528%0.07927%0.27CS..Hα-helixtrans-58.3-45.4172.2172.50000109.1L261 Y263 K268 R273 F274 M275 T293L261-V271 HydrophobicContact CD2-CG2 4.31Å; Y263-V271 HydrophobicContact CD1-CG2 3.61Å; Y263-V271 HydrophobicContact CD2-CG2 3.33Å; Y263-V271 HydrophobicContact CE1-CG2 3.84Å; Y263-V271 HydrophobicContact CE2-CG2 3.59Å; Y263-V271 HydrophobicContact CG-CG2 3.36Å; K268-V271 WeakPolarHBondContact O-CB 3.4Å; K268-V271 PolarHBondContact O-N 2.93Å; V271-R273 PolarHBondContact O-N 3.48Å; V271-F274 PolarHBondContact O-N 3.44Å; V271-M275 HydrophobicContact CG1-CE 3.53Å; V271-M275 HydrophobicContact CG1-CG 4.36Å; V271-M275 HydrophobicContact CG1-SD 4.28Å; V271-M275 VanDerWaalsContact O-CG 3.28Å; V271-M275 WeakPolarHBondContact O-CG 3.48Å; V271-M275 PolarHBondContact O-N 3.34Å; V271-T293 HydrophobicContact CG1-CG2 3.92Å
272N87.1Confident92.6Very high52 Ų5252 Ų5228%0.27827%0.27SS..Hα-helixtrans-60.9-46.2179.4-62.1-8.4000112.3M210 K268 S269 I270 F274 M275 E276M210-N272 VanDerWaalsContact CE-CA 3.42Å; M210-N272 HydrophobicContact CE-CB 3.58Å; M210-N272 VanDerWaalsContact CE-CG 3.4Å; M210-N272 WeakPolarHBondContact CE-OD1 3.32Å; K268-N272 PolarHBondContact O-N 2.71Å; K268-N272 PolarHBondContact O-OD1 3.4Å; S269-N272 WeakPolarHBondContact O-CB 3.36Å; S269-N272 PolarHBondContact O-N 2.98Å; I270-N272 VanDerWaalsContact C-N 3.26Å; I270-N272 PolarHBondContact O-N 3.49Å; N272-F274 VanDerWaalsContact C-N 3.33Å; N272-F274 PolarHBondContact O-N 3.09Å; N272-M275 PolarHBondContact O-N 3.46Å; N272-E276 WeakPolarHBondContact O-CG 3.23Å; N272-E276 PolarHBondContact O-N 3.22Å
273R91.8Very high92.4Very high92 Ų9254.6 Ų54.635%0.34729%0.287SS..Hα-helixtrans-61.2-41.8178.2-172179.6171.2-174.2-7.4112.4S269 I270 V271 F277 E332 L335S269-R273 PolarHBondContact O-N 2.92Å; S269-R273 VanDerWaalsContact O-N 3.09Å; I270-R273 PolarHBondContact O-N 3.04Å; V271-R273 PolarHBondContact O-N 3.48Å; R273-F277 WeakPolarHBondContact O-CB 3.41Å; R273-F277 PolarHBondContact O-N 3.39Å; R273-E332 IonicContact CZ-OE1 2.71Å; R273-E332 IonicContact CZ-OE2 2.82Å; R273-E332 IonicContact NH1-OE1 3.77Å; R273-E332 PolarHBondContact NH1-OE1 3.4Å; R273-E332 IonicContact NH1-OE2 2.77Å; R273-E332 PolarHBondContact NH1-OE2 3.47Å; R273-E332 IonicContact NH2-OE2 3.82Å; R273-E332 PolarHBondContact NH2-OE2 3.23Å; R273-L335 HydrophobicContact CG-CD1 4.06Å
274F95.3Very high92.3Very high0 Ų058.6 Ų58.60%031%0.307CS..Hα-helixtrans-63.9-44.6175.2175.8-107.9000111.7V240 M259 L261 I270 V271 N272 E276 F277 V278 T293 I316 L335V240-F274 HydrophobicContact CG1-CD1 4.14Å; V240-F274 HydrophobicContact CG1-CE1 3.96Å; V240-F274 HydrophobicContact CG2-CE1 4.48Å; M259-F274 HydrophobicContact CG-CZ 4.19Å; M259-F274 HydrophobicContact SD-CE2 4.13Å; M259-F274 HydrophobicContact SD-CZ 4.14Å; L261-F274 HydrophobicContact CB-CD1 3.85Å; L261-F274 HydrophobicContact CB-CD2 4.38Å; L261-F274 HydrophobicContact CB-CE1 3.94Å; L261-F274 HydrophobicContact CB-CE2 4.48Å; L261-F274 HydrophobicContact CB-CG 4.08Å; L261-F274 HydrophobicContact CB-CZ 4.27Å; L261-F274 HydrophobicContact CD2-CB 3.65Å; L261-F274 HydrophobicContact CD2-CD1 4.04Å; L261-F274 HydrophobicContact CD2-CG 3.89Å; L261-F274 HydrophobicContact CG-CG 4.46Å; I270-F274 PolarHBondContact O-N 2.92Å; V271-F274 PolarHBondContact O-N 3.44Å; N272-F274 VanDerWaalsContact C-N 3.33Å; N272-F274 PolarHBondContact O-N 3.09Å; F274-E276 PolarHBondContact O-N 3.23Å; F274-F277 PolarHBondContact O-N 3.23Å; F274-V278 HydrophobicContact CD1-CG2 4.31Å; F274-V278 HydrophobicContact CD2-CG2 4.09Å; F274-V278 HydrophobicContact CE1-CG2 3.95Å; F274-V278 HydrophobicContact CE2-CG2 3.7Å; F274-V278 HydrophobicContact CG-CG2 4.38Å; F274-V278 HydrophobicContact CZ-CG2 3.63Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.21Å; F274-V278 PolarHBondContact O-N 2.9Å; F274-T293 HydrophobicContact CD1-CG2 3.82Å; F274-T293 HydrophobicContact CE1-CG2 4.16Å; F274-I316 HydrophobicContact CD2-CD1 3.9Å; F274-I316 HydrophobicContact CD2-CG1 4.48Å; F274-I316 HydrophobicContact CE2-CD1 3.74Å; F274-I316 HydrophobicContact CE2-CG1 4.2Å; F274-L335 HydrophobicContact CD2-CD2 4.09Å
275M91.2Very high92.4Very high30 Ų3056.8 Ų56.815%0.14830%0.297CS..Hα-helixtrans-59.7-46.1176.7-69.4-167.518000112.3M210 V240 V271 N272 F277 V278 N279 T293M210-M275 HydrophobicContact CE-CB 4Å; M210-M275 HydrophobicContact CE-CG 4.26Å; M210-M275 HydrophobicContact CE-SD 3.58Å; M210-M275 VanDerWaalsContact CE-SD 3.58Å; M210-M275 HydrophobicContact SD-SD 4.43Å; V240-M275 HydrophobicContact CB-CB 4.49Å; V240-M275 HydrophobicContact CB-CE 4.34Å; V240-M275 HydrophobicContact CB-CG 3.76Å; V240-M275 HydrophobicContact CB-SD 4.41Å; V240-M275 HydrophobicContact CG1-CE 4Å; V240-M275 HydrophobicContact CG1-CG 3.8Å; V240-M275 HydrophobicContact CG2-CB 4.42Å; V240-M275 HydrophobicContact CG2-CG 4.15Å; V271-M275 HydrophobicContact CG1-CE 3.53Å; V271-M275 HydrophobicContact CG1-CG 4.36Å; V271-M275 HydrophobicContact CG1-SD 4.28Å; V271-M275 VanDerWaalsContact O-CG 3.28Å; V271-M275 WeakPolarHBondContact O-CG 3.48Å; V271-M275 PolarHBondContact O-N 3.34Å; N272-M275 PolarHBondContact O-N 3.46Å; M275-F277 VanDerWaalsContact C-N 3.33Å; M275-F277 PolarHBondContact O-N 3.43Å; M275-V278 PolarHBondContact O-N 2.94Å; M275-N279 WeakPolarHBondContact O-CB 3.41Å; M275-N279 PolarHBondContact O-N 3.32Å; M275-N279 PolarHBondContact O-ND2 3.33Å; M275-T293 HydrophobicContact CE-CG2 4.42Å
276E89.9Confident92.4Very high107 Ų10760.3 Ų60.350%0.531%0.31SS..Hα-helixtrans-60.1-45.1176.5-73.7179.9171.300111.4N272 F274 N279 A280N272-E276 WeakPolarHBondContact O-CG 3.23Å; N272-E276 PolarHBondContact O-N 3.22Å; F274-E276 PolarHBondContact O-N 3.23Å; E276-N279 PolarHBondContact O-N 3.36Å; E276-A280 VanDerWaalsContact O-CB 3.26Å; E276-A280 WeakPolarHBondContact O-CB 3.33Å; E276-A280 PolarHBondContact O-N 3.48Å
277F95.2Very high92.5Very high17 Ų1756.2 Ų56.28%0.07530%0.3CS..Hα-helixtrans-61-48.4178.5-173.3-83.7000112.2R273 F274 M275 A280 H281 L282 L335 P338 L341R273-F277 WeakPolarHBondContact O-CB 3.41Å; R273-F277 PolarHBondContact O-N 3.39Å; F274-F277 PolarHBondContact O-N 3.23Å; M275-F277 VanDerWaalsContact C-N 3.33Å; M275-F277 PolarHBondContact O-N 3.43Å; F277-A280 PolarHBondContact O-N 2.82Å; F277-H281 AromaticContact CD2-ND1 3.69Å; F277-H281 HydrophobicContact CE1-CB 4.49Å; F277-H281 AromaticContact CE2-ND1 3.92Å; F277-H281 AromaticContact CG-ND1 3.91Å; F277-H281 WeakPolarHBondContact O-CB 3.47Å; F277-H281 PolarHBondContact O-N 2.94Å; F277-H281 PolarHBondContact O-ND1 3.23Å; F277-L282 HydrophobicContact CD1-CD1 4.36Å; F277-L282 HydrophobicContact CE1-CD1 4.2Å; F277-L282 HydrophobicContact CE1-CG 4.42Å; F277-L335 HydrophobicContact CB-CD2 3.94Å; F277-L335 HydrophobicContact CD1-CD2 3.9Å; F277-L335 HydrophobicContact CD2-CB 4.23Å; F277-L335 HydrophobicContact CD2-CD2 4.09Å; F277-L335 HydrophobicContact CE1-CD2 4.39Å; F277-L335 HydrophobicContact CE2-CB 4.46Å; F277-L335 WeakPolarHBondContact CE2-O 3.28Å; F277-L335 HydrophobicContact CG-CD2 3.71Å; F277-P338 HydrophobicContact CE2-CG 4.37Å; F277-P338 HydrophobicContact CZ-CB 4.43Å; F277-P338 HydrophobicContact CZ-CG 4.33Å; F277-L341 HydrophobicContact CD1-CD1 4.15Å; F277-L341 HydrophobicContact CE1-CB 4.32Å; F277-L341 HydrophobicContact CE1-CD1 3.73Å; F277-L341 HydrophobicContact CE1-CG 4.36Å; F277-L341 HydrophobicContact CZ-CD1 4.46Å
278V95.5Very high92.8Very high0 Ų055.6 Ų55.60%030%0.299CS..Hα-helixtrans-63.1-45.9179.9170.70000111.1L239 V240 F274 M275 A280 H281 L282 S283 F291L239-V278 HydrophobicContact CD2-CG1 3.67Å; L239-V278 HydrophobicContact CG-CG1 3.93Å; V240-V278 HydrophobicContact CG2-CB 3.69Å; V240-V278 HydrophobicContact CG2-CG1 3.58Å; V240-V278 HydrophobicContact CG2-CG2 4.09Å; F274-V278 HydrophobicContact CD1-CG2 4.31Å; F274-V278 HydrophobicContact CD2-CG2 4.09Å; F274-V278 HydrophobicContact CE1-CG2 3.95Å; F274-V278 HydrophobicContact CE2-CG2 3.7Å; F274-V278 HydrophobicContact CG-CG2 4.38Å; F274-V278 HydrophobicContact CZ-CG2 3.63Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.21Å; F274-V278 PolarHBondContact O-N 2.9Å; M275-V278 PolarHBondContact O-N 2.94Å; V278-A280 VanDerWaalsContact C-N 3.32Å; V278-A280 PolarHBondContact O-N 3.48Å; V278-H281 PolarHBondContact O-N 3.25Å; V278-L282 HydrophobicContact CG1-CB 4.31Å; V278-L282 HydrophobicContact CG2-CD1 4.25Å; V278-L282 CarbonylContact O-C 3.58Å; V278-L282 WeakPolarHBondContact O-CA 2.97Å; V278-L282 PolarHBondContact O-N 3.36Å; V278-S283 PolarHBondContact O-N 2.95Å; V278-F291 HydrophobicContact CG1-CB 3.9Å; V278-F291 HydrophobicContact CG1-CD1 3.7Å; V278-F291 HydrophobicContact CG1-CD2 3.66Å; V278-F291 HydrophobicContact CG1-CE1 4.13Å; V278-F291 HydrophobicContact CG1-CE2 4.08Å; V278-F291 HydrophobicContact CG1-CG 3.46Å; V278-F291 VanDerWaalsContact CG1-CG 3.46Å; V278-F291 HydrophobicContact CG1-CZ 4.3Å; V278-F291 HydrophobicContact CG2-CD1 3.96Å; V278-F291 HydrophobicContact CG2-CE1 4.5Å; V278-F291 HydrophobicContact CG2-CG 4.39Å
279N91.1Very high93.3Very high78 Ų7849.9 Ų49.942%0.41727%0.274SS..Hα-helixtrans-63-39.2178.8-76.5-61000112.2L239 M275 E276L239-N279 WeakPolarHBondContact CB-OD1 3.29Å; M275-N279 WeakPolarHBondContact O-CB 3.41Å; M275-N279 PolarHBondContact O-N 3.32Å; M275-N279 PolarHBondContact O-ND2 3.33Å; E276-N279 PolarHBondContact O-N 3.36Å
280A93Very high93.7Very high68 Ų6846.5 Ų46.556%0.56225%0.249SC*.Hα-helixtrans-73.9-36.1-179.500000112.9E276 F277 V278E276-A280 VanDerWaalsContact O-CB 3.26Å; E276-A280 WeakPolarHBondContact O-CB 3.33Å; E276-A280 PolarHBondContact O-N 3.48Å; F277-A280 PolarHBondContact O-N 2.82Å; V278-A280 VanDerWaalsContact C-N 3.32Å; V278-A280 PolarHBondContact O-N 3.48Å
281H96.7Very high93.9Very high83 Ų8345.9 Ų45.938%0.38425%0.246SC..Hα-helixtrans-125.5-19.8-163-55118.6000116.1F277 V278 H284 P338F277-H281 AromaticContact CD2-ND1 3.69Å; F277-H281 HydrophobicContact CE1-CB 4.49Å; F277-H281 AromaticContact CE2-ND1 3.92Å; F277-H281 AromaticContact CG-ND1 3.91Å; F277-H281 WeakPolarHBondContact O-CB 3.47Å; F277-H281 PolarHBondContact O-N 2.94Å; F277-H281 PolarHBondContact O-ND1 3.23Å; V278-H281 PolarHBondContact O-N 3.25Å; H281-H284 PolarHBondContact O-CE1 3.42Å; H281-H284 PolarHBondContact O-ND1 3.03Å; H281-P338 HydrophobicContact CB-CB 3.95Å; H281-P338 HydrophobicContact CB-CG 4.09Å
282L96.3Very high94.1Very high0 Ų045.3 Ų45.30%024%0.243CC..SBendtrans-121.312.2-172.1-58179.1000113.4M259 F277 V278 H284 H285 F291 L341 D342M259-L282 HydrophobicContact CE-CD1 4.43Å; M259-L282 HydrophobicContact SD-CD1 4.21Å; F277-L282 HydrophobicContact CD1-CD1 4.36Å; F277-L282 HydrophobicContact CE1-CD1 4.2Å; F277-L282 HydrophobicContact CE1-CG 4.42Å; V278-L282 HydrophobicContact CG1-CB 4.31Å; V278-L282 HydrophobicContact CG2-CD1 4.25Å; V278-L282 CarbonylContact O-C 3.58Å; V278-L282 WeakPolarHBondContact O-CA 2.97Å; V278-L282 PolarHBondContact O-N 3.36Å; L282-H284 PolarHBondContact O-N 3.09Å; L282-H285 PolarHBondContact O-N 3.32Å; L282-F291 HydrophobicContact CB-CE1 3.97Å; L282-F291 HydrophobicContact CB-CE2 4.43Å; L282-F291 HydrophobicContact CB-CZ 3.67Å; L282-F291 HydrophobicContact CD1-CE1 3.86Å; L282-F291 HydrophobicContact CD1-CZ 4.39Å; L282-L341 HydrophobicContact CD1-CB 3.89Å; L282-L341 HydrophobicContact CD1-CD1 4.26Å; L282-D342 HydrophobicContact CD2-CB 4.22Å
283S93Very high94.6Very high53 Ų5342.9 Ų42.937%0.37123%0.23SC..G310 helixtrans-62.6-25.9-179.659.60000113.7V278 H285 Q286V278-S283 PolarHBondContact O-N 2.95Å; S283-H285 PolarHBondContact O-N 3Å; S283-Q286 WeakPolarHBondContact O-CB 3.42Å; S283-Q286 WeakPolarHBondContact O-CG 2.97Å; S283-Q286 PolarHBondContact O-N 3.04Å
284H95.6Very high94.8Very high102 Ų10238.5 Ų38.547%0.47221%0.213SC..G310 helixtrans-66.8-18.4174.760.6-72.9000113.4H281 L282 D342H281-H284 PolarHBondContact O-CE1 3.42Å; H281-H284 PolarHBondContact O-ND1 3.03Å; L282-H284 PolarHBondContact O-N 3.09Å; H284-D342 IonicContact CD2-OD1 3.79Å; H284-D342 IonicContact CE1-OD1 3.83Å; H284-D342 PolarHBondContact CE1-OD1 3.06Å; H284-D342 IonicContact NE2-OD1 3.01Å; H284-D342 PolarHBondContact NE2-OD1 2.93Å
285H97Very high94.8Very high7 Ų739.6 Ų39.63%0.03222%0.219CC..G310 helixtrans-90-2.5176.5-70.4-34.9000114.6L282 S283 S287 T288 V289 F291 D342 E346 K349L282-H285 PolarHBondContact O-N 3.32Å; S283-H285 PolarHBondContact O-N 3Å; H285-S287 PolarHBondContact O-N 3.43Å; H285-T288 WeakPolarHBondContact O-CA 3.22Å; H285-T288 PolarHBondContact O-N 3.4Å; H285-T288 PolarHBondContact O-OG1 3.47Å; H285-V289 PolarHBondContact O-N 2.84Å; H285-F291 HydrophobicContact CB-CE2 4.28Å; H285-F291 HydrophobicContact CB-CZ 3.9Å; H285-D342 IonicContact CD2-OD1 3.73Å; H285-D342 IonicContact CE1-OD1 2.73Å; H285-D342 IonicContact NE2-OD1 2.87Å; H285-D342 PolarHBondContact NE2-OD1 3.44Å; H285-E346 IonicContact CE1-OE1 2.72Å; H285-E346 PolarHBondContact CE1-OE1 3.5Å; H285-E346 IonicContact ND1-OE1 3.72Å; H285-E346 IonicContact NE2-OE1 3.66Å; H285-K349 PolarHBondContact CE1-NZ 3.05Å; H285-K349 VanDerWaalsContact CE1-NZ 3.35Å; H285-K349 PolarHBondContact ND1-NZ 2.91Å
286Q92Very high94.9Very high112 Ų11238.2 Ų38.252%0.52321%0.212SC..THydrogen-bonded Turntrans-56.5-23-17371.3-176.1-31.300115.6L239 S283L239-Q286 HydrophobicContact CD1-CB 3.42Å; L239-Q286 VanDerWaalsContact CD1-CB 3.42Å; S283-Q286 WeakPolarHBondContact O-CB 3.42Å; S283-Q286 WeakPolarHBondContact O-CG 2.97Å; S283-Q286 PolarHBondContact O-N 3.04Å
287S92.9Very high95.2Very high87 Ų8737.3 Ų37.361%0.60821%0.21SC*.THydrogen-bonded Turntrans-87.9-7.517755.60000113.5L256 H285L256-S287 WeakPolarHBondContact CD2-O 3.38Å; H285-S287 PolarHBondContact O-N 3.43Å
288T95.5Very high95.1Very high50 Ų5039.7 Ų39.731%0.30723%0.226SC..THydrogen-bonded Turntrans-122.3-24.1-173.359.60000113.3P257 H285 K349P257-T288 WeakPolarHBondContact CD-O 3.41Å; H285-T288 WeakPolarHBondContact O-CA 3.22Å; H285-T288 PolarHBondContact O-N 3.4Å; H285-T288 PolarHBondContact O-OG1 3.47Å; T288-K349 VanDerWaalsContact OG1-CE 3.28Å; T288-K349 WeakPolarHBondContact OG1-CE 3.11Å; T288-K349 PolarHBondContact OG1-NZ 3.22Å
289V97.1Very high95Very high2 Ų240 Ų401%0.01223%0.227CC..  trans-140.6137.5-178.81780000109P257 M259 H285 F291 L318 V345P257-V289 WeakPolarHBondContact O-CA 3.45Å; P257-V289 WeakPolarHBondContact O-CG1 3.23Å; M259-V289 HydrophobicContact CB-CG1 3.87Å; H285-V289 PolarHBondContact O-N 2.84Å; V289-F291 HydrophobicContact CB-CZ 4.49Å; V289-F291 HydrophobicContact CG1-CE1 4.35Å; V289-F291 HydrophobicContact CG1-CZ 4.46Å; V289-L318 HydrophobicContact CG1-CD2 4.41Å; V289-V345 HydrophobicContact CG2-CG1 3.67Å; V289-V345 HydrophobicContact CG2-CG2 4.34Å
290N96.6Very high95Very high10 Ų1039.6 Ų39.65%0.05323%0.231CC..EExtended strand (participates in β ladder)trans-92.2119.9171-88-24.4000110.3R241 I251 E254 L256 P257 L258 M259R241-N290 PolarHBondContact NH2-ND2 3.1Å; R241-N290 PolarHBondContact NH2-OD1 2.81Å; I251-N290 PolarHBondContact O-ND2 2.76Å; E254-N290 PolarHBondContact OE2-ND2 2.96Å; E254-N290 PolarHBondContact OE2-OD1 3.11Å; E254-N290 VanDerWaalsContact OE2-OD1 3.13Å; L256-N290 HydrophobicContact CB-CB 4.47Å; P257-N290 PolarHBondContact O-N 3.25Å; L258-N290 CarbonylContact C-O 3.6Å; L258-N290 VanDerWaalsContact CA-O 3.31Å; L258-N290 WeakPolarHBondContact CA-O 3.46Å; L258-N290 HydrophobicContact CD2-CB 3.62Å; M259-N290 PolarHBondContact N-O 3.49Å
291F97.6Very high94.8Very high1 Ų141.5 Ų41.50%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-87.7122.5175.6-57.6-82.3000110L239 V240 R241 M259 V278 L282 H285 V289L239-F291 HydrophobicContact CD1-CD2 3.89Å; L239-F291 HydrophobicContact CD1-CE2 4.28Å; L239-F291 HydrophobicContact CD2-CD2 4.44Å; L239-F291 HydrophobicContact CG-CD2 3.94Å; L239-F291 HydrophobicContact CG-CE2 4.49Å; V240-F291 WeakPolarHBondContact CA-O 3.49Å; V240-F291 HydrophobicContact CB-CB 4.49Å; V240-F291 HydrophobicContact CG2-CB 3.92Å; R241-F291 PolarHBondContact N-O 2.82Å; R241-F291 VanDerWaalsContact N-O 3.09Å; M259-F291 HydrophobicContact CB-CD1 3.78Å; M259-F291 HydrophobicContact CB-CE1 4.14Å; M259-F291 HydrophobicContact CE-CE1 4.13Å; M259-F291 HydrophobicContact CG-CD1 4.19Å; M259-F291 HydrophobicContact SD-CD1 3.73Å; M259-F291 HydrophobicContact SD-CE1 3.67Å; V278-F291 HydrophobicContact CG1-CB 3.9Å; V278-F291 HydrophobicContact CG1-CD1 3.7Å; V278-F291 HydrophobicContact CG1-CD2 3.66Å; V278-F291 HydrophobicContact CG1-CE1 4.13Å; V278-F291 HydrophobicContact CG1-CE2 4.08Å; V278-F291 HydrophobicContact CG1-CG 3.46Å; V278-F291 VanDerWaalsContact CG1-CG 3.46Å; V278-F291 HydrophobicContact CG1-CZ 4.3Å; V278-F291 HydrophobicContact CG2-CD1 3.96Å; V278-F291 HydrophobicContact CG2-CE1 4.5Å; V278-F291 HydrophobicContact CG2-CG 4.39Å; L282-F291 HydrophobicContact CB-CE1 3.97Å; L282-F291 HydrophobicContact CB-CE2 4.43Å; L282-F291 HydrophobicContact CB-CZ 3.67Å; L282-F291 HydrophobicContact CD1-CE1 3.86Å; L282-F291 HydrophobicContact CD1-CZ 4.39Å; H285-F291 HydrophobicContact CB-CE2 4.28Å; H285-F291 HydrophobicContact CB-CZ 3.9Å; V289-F291 HydrophobicContact CB-CZ 4.49Å; V289-F291 HydrophobicContact CG1-CE1 4.35Å; V289-F291 HydrophobicContact CG1-CZ 4.46Å
292V96.6Very high94.5Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-136.2154.7-178.8-59.60000113R241 I243 I251 L258 M259 L260 L261R241-V292 HydrophobicContact CB-CG1 4.49Å; R241-V292 CarbonylContact O-C 3.45Å; R241-V292 WeakPolarHBondContact O-CA 3.35Å; R241-V292 WeakPolarHBondContact O-CB 3.47Å; I243-V292 HydrophobicContact CB-CB 4.28Å; I243-V292 HydrophobicContact CB-CG2 4.45Å; I243-V292 HydrophobicContact CG2-CB 4.37Å; I243-V292 HydrophobicContact CG2-CG2 4.21Å; I251-V292 HydrophobicContact CD1-CG1 4.23Å; I251-V292 HydrophobicContact CG2-CG1 4.14Å; L258-V292 HydrophobicContact CB-CG2 4.25Å; M259-V292 PolarHBondContact O-N 3.25Å; L260-V292 CarbonylContact C-O 3.43Å; L260-V292 WeakPolarHBondContact CA-O 3.46Å; L260-V292 HydrophobicContact CB-CG2 4.17Å; L260-V292 HydrophobicContact CD2-CG2 3.72Å; L260-V292 HydrophobicContact CG-CG2 3.54Å; L261-V292 PolarHBondContact N-O 2.92Å
293T96.1Very high94.2Very high1 Ų138.1 Ų38.11%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-113137.4167.859.30000109.7V240 R241 E242 I243 L261 V271 F274 M275V240-T293 HydrophobicContact CG1-CG2 3.81Å; R241-T293 PolarHBondContact O-N 3.41Å; E242-T293 CarbonylContact C-O 3.54Å; E242-T293 WeakPolarHBondContact CA-O 3.06Å; I243-T293 WeakPolarHBondContact CG2-O 3.4Å; I243-T293 PolarHBondContact N-O 2.93Å; L261-T293 HydrophobicContact CB-CG2 4.09Å; L261-T293 HydrophobicContact CD2-CG2 4.12Å; L261-T293 CarbonylContact O-C 3.53Å; L261-T293 WeakPolarHBondContact O-CA 3.1Å; V271-T293 HydrophobicContact CG1-CG2 3.92Å; F274-T293 HydrophobicContact CD1-CG2 3.82Å; F274-T293 HydrophobicContact CE1-CG2 4.16Å; M275-T293 HydrophobicContact CE-CG2 4.42Å
294A95.8Very high94Very high0 Ų038.7 Ų38.70%022%0.221CC..EExtended strand (participates in β ladder)trans-123.3126.2-179.200000110.1I243 L260 L261 F262 Y263 G296 F299I243-A294 HydrophobicContact CG2-CB 3.59Å; L260-A294 HydrophobicContact CD2-CB 4.36Å; L261-A294 PolarHBondContact O-N 2.94Å; F262-A294 WeakPolarHBondContact CA-O 3.44Å; F262-A294 HydrophobicContact CD1-CB 3.56Å; F262-A294 HydrophobicContact CE1-CB 3.56Å; F262-A294 HydrophobicContact CG-CB 4.35Å; F262-A294 HydrophobicContact CZ-CB 4.34Å; Y263-A294 WeakPolarHBondContact CD1-O 3.36Å; Y263-A294 WeakPolarHBondContact CE1-O 3.28Å; Y263-A294 PolarHBondContact N-O 2.96Å; A294-G296 PolarHBondContact O-N 3.33Å; A294-F299 HydrophobicContact CB-CD2 4.14Å
295N95.3Very high93.5Very high24 Ų2438 Ų3813%0.12822%0.218CC..EExtended strand (participates in β ladder)trans-63.3109.9171176.7-22.3000109.2Y263 P265 I297 T298 F299Y263-N295 HydrophobicContact CE1-CB 4.48Å; P265-N295 WeakPolarHBondContact CD-OD1 3.47Å; N295-I297 PolarHBondContact O-N 3.49Å; N295-I297 WeakPolarHBondContact OD1-CB 3.29Å; N295-I297 PolarHBondContact OD1-N 2.9Å; N295-T298 VanDerWaalsContact CG-OG1 3.27Å; N295-T298 PolarHBondContact ND2-OG1 3.35Å; N295-T298 PolarHBondContact O-N 3.22Å; N295-T298 VanDerWaalsContact O-N 3.13Å; N295-T298 PolarHBondContact OD1-N 3.04Å; N295-F299 WeakPolarHBondContact O-CD2 3.33Å; N295-F299 PolarHBondContact O-N 3.41Å
296G95.2Very high93.2Very high0 Ų038.1 Ų38.10%022%0.219CC..THydrogen-bonded Turntrans-65.3-21.1-174.800000114.3Y263 A294 S300Y263-G296 PolarHBondContact O-N 2.98Å; A294-G296 PolarHBondContact O-N 3.33Å; G296-S300 PolarHBondContact O-N 2.82Å
297I94.9Very high93.1Very high89 Ų8935.9 Ų35.946%0.45623%0.226SC..THydrogen-bonded Turntrans-76.3-45.8173.5-57.3-176.6000109.9P265 N295 F299P265-I297 HydrophobicContact CG-CB 4.48Å; P265-I297 HydrophobicContact CG-CD1 3.56Å; P265-I297 HydrophobicContact CG-CG1 4.06Å; N295-I297 PolarHBondContact O-N 3.49Å; N295-I297 WeakPolarHBondContact OD1-CB 3.29Å; N295-I297 PolarHBondContact OD1-N 2.9Å; I297-F299 VanDerWaalsContact C-N 3.34Å
298T93.8Very high93.2Very high67 Ų6734.9 Ų34.941%0.41121%0.21SC..THydrogen-bonded Turntrans-64.6-38.4177.3-58.50000111.9F245 N295F245-T298 HydrophobicContact CD2-CG2 4.04Å; F245-T298 HydrophobicContact CE2-CG2 3.45Å; F245-T298 VanDerWaalsContact CE2-CG2 3.45Å; F245-T298 HydrophobicContact CZ-CG2 4.28Å; N295-T298 VanDerWaalsContact CG-OG1 3.27Å; N295-T298 PolarHBondContact ND2-OG1 3.35Å; N295-T298 PolarHBondContact O-N 3.22Å; N295-T298 VanDerWaalsContact O-N 3.13Å; N295-T298 PolarHBondContact OD1-N 3.04Å
299F93.5Very high93.1Very high5 Ų534.7 Ų34.72%0.02221%0.211CC..THydrogen-bonded Turntrans-102.538.6-179.5-69.5-87.2000112.7I243 F245 F262 A294 N295 I297 H301 P302 L303 F387 L390I243-F299 HydrophobicContact CG1-CZ 4.38Å; I243-F299 HydrophobicContact CG2-CE2 4.4Å; I243-F299 HydrophobicContact CG2-CZ 4.4Å; I243-F299 WeakPolarHBondContact O-CE2 3.22Å; F245-F299 HydrophobicContact CD1-CE1 4.29Å; F245-F299 HydrophobicContact CE1-CD1 4.38Å; F245-F299 AromaticContact CE1-CE1 3.9Å; F245-F299 HydrophobicContact CE1-CE1 3.9Å; F245-F299 HydrophobicContact CE1-CZ 4.45Å; F245-F299 HydrophobicContact CZ-CD1 4.37Å; F245-F299 HydrophobicContact CZ-CE1 4.17Å; F262-F299 HydrophobicContact CE1-CB 3.82Å; A294-F299 HydrophobicContact CB-CD2 4.14Å; N295-F299 WeakPolarHBondContact O-CD2 3.33Å; N295-F299 PolarHBondContact O-N 3.41Å; I297-F299 VanDerWaalsContact C-N 3.34Å; F299-H301 VanDerWaalsContact C-N 3.28Å; F299-H301 PolarHBondContact O-N 3.46Å; F299-P302 HydrophobicContact CB-CG 4.19Å; F299-P302 HydrophobicContact CD1-CG 4.27Å; F299-P302 WeakPolarHBondContact O-CD 3.29Å; F299-L303 VanDerWaalsContact O-CD1 3.24Å; F299-L303 WeakPolarHBondContact O-CD1 3.22Å; F299-L303 PolarHBondContact O-N 3.01Å; F299-F387 HydrophobicContact CD1-CE1 4.05Å; F299-F387 HydrophobicContact CD1-CZ 4.18Å; F299-F387 AromaticContact CE1-CE1 3.97Å; F299-F387 HydrophobicContact CE1-CE1 3.97Å; F299-L390 HydrophobicContact CE1-CD1 4.22Å
300S91.5Very high92.9Very high71 Ų7141.2 Ų41.250%0.49724%0.239SC..Hα-helixtrans-62.5-29.4-178.556.90000114.3G296 L303 A304G296-S300 PolarHBondContact O-N 2.82Å; S300-L303 WeakPolarHBondContact O-CB 3.46Å; S300-L303 PolarHBondContact O-N 3.24Å; S300-A304 PolarHBondContact O-N 2.69Å
301H88.4Confident92.8Very high107 Ų10747 Ų4750%0.49527%0.266SS..Hα-helixtrans-65.7-49.8176.8174.7-93.7000112.6F299 L303 A304 H305F299-H301 VanDerWaalsContact C-N 3.28Å; F299-H301 PolarHBondContact O-N 3.46Å; H301-L303 VanDerWaalsContact C-N 3.29Å; H301-L303 PolarHBondContact O-N 3.25Å; H301-A304 PolarHBondContact O-N 3.12Å; H301-H305 AromaticContact CE1-CE1 3.1Å; H301-H305 PolarHBondContact CE1-CE1 2.87Å; H301-H305 AromaticContact CE1-ND1 3.62Å; H301-H305 AromaticContact CE1-NE2 3.85Å; H301-H305 AromaticContact ND1-CE1 3.9Å; H301-H305 AromaticContact NE2-CE1 3.39Å; H301-H305 PolarHBondContact NE2-CE1 3.35Å; H301-H305 AromaticContact NE2-NE2 3.68Å; H301-H305 PolarHBondContact O-N 3.29Å; H301-H305 VanDerWaalsContact O-N 3.07Å
302P89.1Confident92.7Very high9 Ų949.8 Ų49.86%0.05828%0.281CS..Hα-helixtrans-51.5-41.6166.3-29.431.5000114.8F262 F299 H305 L306 V386 F387F262-P302 HydrophobicContact CZ-CB 4.16Å; F299-P302 HydrophobicContact CB-CG 4.19Å; F299-P302 HydrophobicContact CD1-CG 4.27Å; F299-P302 WeakPolarHBondContact O-CD 3.29Å; P302-H305 PolarHBondContact O-N 2.03Å; P302-L306 WeakPolarHBondContact O-CG 3.39Å; P302-L306 PolarHBondContact O-N 3.4Å; P302-L306 VanDerWaalsContact O-N 3.14Å; P302-V386 HydrophobicContact CB-CB 4.43Å; P302-V386 HydrophobicContact CB-CG2 4.45Å; P302-V386 HydrophobicContact CG-CB 4.1Å; P302-V386 HydrophobicContact CG-CG1 4.04Å; P302-V386 HydrophobicContact CG-CG2 4.5Å; P302-F387 HydrophobicContact CB-CE2 4.17Å; P302-F387 HydrophobicContact CG-CE2 4.35Å; P302-F387 HydrophobicContact CG-CZ 4.41Å
303L90.8Very high92.7Very high3 Ų351 Ų512%0.01629%0.287CS..Hα-helixtrans-59.3-49.1175.6-91.768.7000111.5F262 F299 S300 H301 H305 L306 G307 K308 L313 F315F262-L303 HydrophobicContact CB-CD1 4.4Å; F262-L303 HydrophobicContact CD1-CD1 3.31Å; F262-L303 HydrophobicContact CD2-CD1 4.43Å; F262-L303 HydrophobicContact CE1-CD1 3.48Å; F262-L303 VanDerWaalsContact CE1-CD1 3.48Å; F262-L303 HydrophobicContact CG-CD1 3.81Å; F262-L303 HydrophobicContact CZ-CD1 4.12Å; F299-L303 VanDerWaalsContact O-CD1 3.24Å; F299-L303 WeakPolarHBondContact O-CD1 3.22Å; F299-L303 PolarHBondContact O-N 3.01Å; S300-L303 WeakPolarHBondContact O-CB 3.46Å; S300-L303 PolarHBondContact O-N 3.24Å; H301-L303 VanDerWaalsContact C-N 3.29Å; H301-L303 PolarHBondContact O-N 3.25Å; L303-H305 VanDerWaalsContact C-N 3.26Å; L303-H305 PolarHBondContact O-N 3.46Å; L303-L306 CarbonylContact O-C 3.57Å; L303-L306 WeakPolarHBondContact O-CA 3.18Å; L303-L306 WeakPolarHBondContact O-CB 3.37Å; L303-L306 PolarHBondContact O-N 2.9Å; L303-G307 PolarHBondContact O-N 3.06Å; L303-K308 CarbonylContact C-O 3.57Å; L303-K308 HydrophobicContact CB-CB 4.4Å; L303-K308 HydrophobicContact CG-CB 4.49Å; L303-K308 WeakPolarHBondContact O-CA 3.31Å; L303-K308 WeakPolarHBondContact O-CB 3.28Å; L303-K308 PolarHBondContact O-N 3.08Å; L303-K308 VanDerWaalsContact O-O 3.06Å; L303-L313 HydrophobicContact CD2-CD1 4.48Å; L303-L313 HydrophobicContact CD2-CD2 4Å; L303-L313 HydrophobicContact CD2-CG 4.27Å; L303-F315 HydrophobicContact CG-CE1 4.26Å; L303-F315 HydrophobicContact CG-CZ 4.23Å
304A89Confident92.8Very high65 Ų6553 Ų5354%0.53730%0.3SS..Hα-helixtrans-60.2-38.2179.800000111.8S300 H301 L306 G307 K308S300-A304 PolarHBondContact O-N 2.69Å; H301-A304 PolarHBondContact O-N 3.12Å; A304-L306 VanDerWaalsContact C-N 3.27Å; A304-L306 PolarHBondContact O-N 2.92Å; A304-G307 PolarHBondContact O-N 3.32Å; A304-K308 PolarHBondContact N-O 2.93Å
305H85.7Confident92.8Very high87 Ų8753.8 Ų53.840%0.40330%0.304SS..Hα-helixtrans-64.2-29.9172.9-76.1167000113.2H301 P302 L303 G307 H383 V386H301-H305 AromaticContact CE1-CE1 3.1Å; H301-H305 PolarHBondContact CE1-CE1 2.87Å; H301-H305 AromaticContact CE1-ND1 3.62Å; H301-H305 AromaticContact CE1-NE2 3.85Å; H301-H305 AromaticContact ND1-CE1 3.9Å; H301-H305 AromaticContact NE2-CE1 3.39Å; H301-H305 PolarHBondContact NE2-CE1 3.35Å; H301-H305 AromaticContact NE2-NE2 3.68Å; H301-H305 PolarHBondContact O-N 3.29Å; H301-H305 VanDerWaalsContact O-N 3.07Å; P302-H305 PolarHBondContact O-N 2.03Å; L303-H305 VanDerWaalsContact C-N 3.26Å; L303-H305 PolarHBondContact O-N 3.46Å; H305-G307 PolarHBondContact O-N 3.21Å; H305-H383 PolarHBondContact O-CE1 3.45Å; H305-H383 PolarHBondContact O-ND1 3.43Å; H305-V386 HydrophobicContact CB-CG2 4.15Å; H305-V386 WeakPolarHBondContact ND1-CG2 3.47Å
306L89.9Confident92.9Very high11 Ų1152.8 Ų52.86%0.05830%0.298CS..THydrogen-bonded Turntrans-78.93.1171.5-67.3174.2000113.6F262 P302 L303 A304 K308 F315 M324 V326 H383F262-L306 HydrophobicContact CE2-CD1 4.33Å; P302-L306 WeakPolarHBondContact O-CG 3.39Å; P302-L306 PolarHBondContact O-N 3.4Å; P302-L306 VanDerWaalsContact O-N 3.14Å; L303-L306 CarbonylContact O-C 3.57Å; L303-L306 WeakPolarHBondContact O-CA 3.18Å; L303-L306 WeakPolarHBondContact O-CB 3.37Å; L303-L306 PolarHBondContact O-N 2.9Å; A304-L306 VanDerWaalsContact C-N 3.27Å; A304-L306 PolarHBondContact O-N 2.92Å; L306-K308 HydrophobicContact CB-CB 4.26Å; L306-K308 HydrophobicContact CB-CG 3.92Å; L306-K308 PolarHBondContact O-N 3.11Å; L306-F315 HydrophobicContact CD1-CE2 3.84Å; L306-F315 HydrophobicContact CD1-CZ 4.01Å; L306-M324 HydrophobicContact CD1-CE 3.86Å; L306-M324 HydrophobicContact CD1-SD 4.47Å; L306-M324 HydrophobicContact CD2-CB 3.59Å; L306-M324 HydrophobicContact CD2-CE 4.39Å; L306-M324 HydrophobicContact CD2-CG 4.46Å; L306-M324 HydrophobicContact CD2-SD 4.13Å; L306-M324 HydrophobicContact CG-CE 4.35Å; L306-M324 HydrophobicContact CG-SD 4.32Å; L306-V326 HydrophobicContact CD1-CG2 4.25Å; L306-V326 HydrophobicContact CD2-CG2 3.99Å; L306-H383 HydrophobicContact CD2-CB 4.34Å
307G90.7Very high93Very high65 Ų6552.8 Ų52.867%0.6730%0.298SS*.THydrogen-bonded Turntrans66.423.7-170.600000113.1L303 A304 H305L303-G307 PolarHBondContact O-N 3.06Å; A304-G307 PolarHBondContact O-N 3.32Å; H305-G307 PolarHBondContact O-N 3.21Å
308K93.9Very high93.1Very high65 Ų6548.6 Ų48.628%0.28328%0.277SS..  trans-111.7155.2-176.1-66.3-76.2171.1-178.20110.9L303 A304 L306 D312 F315L303-K308 CarbonylContact C-O 3.57Å; L303-K308 HydrophobicContact CB-CB 4.4Å; L303-K308 HydrophobicContact CG-CB 4.49Å; L303-K308 WeakPolarHBondContact O-CA 3.31Å; L303-K308 WeakPolarHBondContact O-CB 3.28Å; L303-K308 PolarHBondContact O-N 3.08Å; L303-K308 VanDerWaalsContact O-O 3.06Å; A304-K308 PolarHBondContact N-O 2.93Å; L306-K308 HydrophobicContact CB-CB 4.26Å; L306-K308 HydrophobicContact CB-CG 3.92Å; L306-K308 PolarHBondContact O-N 3.11Å; K308-D312 WeakPolarHBondContact CA-OD2 3.35Å; K308-D312 HydrophobicContact CB-CB 4.27Å; K308-D312 HydrophobicContact CD-CB 3.52Å; K308-D312 WeakPolarHBondContact CD-OD1 3.16Å; K308-D312 IonicContact NZ-OD1 3.44Å; K308-D312 PolarHBondContact NZ-OD1 3Å; K308-F315 HydrophobicContact CB-CE1 4.1Å; K308-F315 HydrophobicContact CB-CZ 4.1Å; K308-F315 HydrophobicContact CD-CE1 4.42Å; K308-F315 HydrophobicContact CG-CE1 4.19Å; K308-F315 HydrophobicContact CG-CZ 4.02Å
309S93.8Very high93.1Very high46 Ų4645.4 Ų45.432%0.32226%0.257SS..  trans-128.5-179.3174.672.20000111.8E311 D312S309-E311 WeakPolarHBondContact CB-OE2 3.44Å; S309-E311 PolarHBondContact O-N 3.21Å; S309-E311 PolarHBondContact OG-N 3.2Å; S309-E311 PolarHBondContact OG-OE2 3.38Å; S309-D312 PolarHBondContact N-OD2 3.08Å; S309-D312 WeakPolarHBondContact O-CB 3.25Å; S309-D312 PolarHBondContact O-N 3.07Å
310K93.8Very high93.1Very high139 Ų13946.7 Ų46.760%0.60427%0.267SS*.G310 helixtrans-60.7-24177.665.2-179.9-177.3179.70112.3D312 L313K310-D312 VanDerWaalsContact C-N 3.33Å; K310-L313 HydrophobicContact CB-CD1 4.31Å; K310-L313 WeakPolarHBondContact O-CB 3.39Å; K310-L313 WeakPolarHBondContact O-CG 3.36Å; K310-L313 PolarHBondContact O-N 2.96Å
311E94.5Very high93.1Very high132 Ų13245.1 Ų45.162%0.61725%0.251SS*.G310 helixtrans-72.5-23.6176.8-65.473.3-159.600112.9S309 L313S309-E311 WeakPolarHBondContact CB-OE2 3.44Å; S309-E311 PolarHBondContact O-N 3.21Å; S309-E311 PolarHBondContact OG-N 3.2Å; S309-E311 PolarHBondContact OG-OE2 3.38Å; E311-L313 VanDerWaalsContact C-N 3.28Å
312D95.2Very high93Very high60 Ų6042.5 Ų42.532%0.32125%0.248SC..G310 helixtrans-80.9-8175-68.7-85.1000113.4K308 S309 K310 F315K308-D312 WeakPolarHBondContact CA-OD2 3.35Å; K308-D312 HydrophobicContact CB-CB 4.27Å; K308-D312 HydrophobicContact CD-CB 3.52Å; K308-D312 WeakPolarHBondContact CD-OD1 3.16Å; K308-D312 IonicContact NZ-OD1 3.44Å; K308-D312 PolarHBondContact NZ-OD1 3Å; S309-D312 PolarHBondContact N-OD2 3.08Å; S309-D312 WeakPolarHBondContact O-CB 3.25Å; S309-D312 PolarHBondContact O-N 3.07Å; K310-D312 VanDerWaalsContact C-N 3.33Å; D312-F315 HydrophobicContact CB-CD1 4.39Å
313L96.4Very high93.1Very high25 Ų2543.2 Ų43.213%0.13125%0.251CS..  trans-69.8140.9-179.5-64.3173.8000110.8F262 N264 L303 K310 E311 F315F262-L313 HydrophobicContact CB-CD2 3.66Å; N264-L313 HydrophobicContact CB-CB 4.35Å; N264-L313 HydrophobicContact CB-CD1 4.12Å; L303-L313 HydrophobicContact CD2-CD1 4.48Å; L303-L313 HydrophobicContact CD2-CD2 4Å; L303-L313 HydrophobicContact CD2-CG 4.27Å; K310-L313 HydrophobicContact CB-CD1 4.31Å; K310-L313 WeakPolarHBondContact O-CB 3.39Å; K310-L313 WeakPolarHBondContact O-CG 3.36Å; K310-L313 PolarHBondContact O-N 2.96Å; E311-L313 VanDerWaalsContact C-N 3.28Å; L313-F315 HydrophobicContact CD2-CD1 4.28Å; L313-F315 HydrophobicContact CD2-CE1 4.05Å
314P97.3Very high93.2Very high42 Ų4243.2 Ų43.227%0.27325%0.251SS..SBendcis-95.4151.9-1.236.8-35.2000113.4L261 F262 I270 L331L261-P314 HydrophobicContact CD1-CB 4.36Å; F262-P314 WeakPolarHBondContact O-CA 3.48Å; F262-P314 WeakPolarHBondContact O-CB 3.46Å; I270-P314 HydrophobicContact CG1-CB 4.41Å; I270-P314 HydrophobicContact CG1-CG 4.04Å; I270-P314 HydrophobicContact CG2-CB 4.32Å; I270-P314 HydrophobicContact CG2-CG 4.46Å; P314-L331 HydrophobicContact CB-CD2 3.71Å; P314-L331 HydrophobicContact CG-CD2 3.44Å; P314-L331 VanDerWaalsContact CG-CD2 3.44Å
315F96.8Very high93.4Very high17 Ų1741 Ų418%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-149160.617467.2-88.7000112.1F262 L303 L306 K308 D312 L313 V326F262-F315 HydrophobicContact CB-CD1 4.32Å; F262-F315 HydrophobicContact CB-CE1 3.94Å; F262-F315 HydrophobicContact CB-CE2 4.41Å; F262-F315 HydrophobicContact CB-CZ 3.99Å; F262-F315 HydrophobicContact CD2-CD2 4.46Å; F262-F315 HydrophobicContact CD2-CE1 4.48Å; F262-F315 AromaticContact CD2-CE2 3.67Å; F262-F315 HydrophobicContact CD2-CE2 3.67Å; F262-F315 AromaticContact CD2-CZ 3.68Å; F262-F315 HydrophobicContact CD2-CZ 3.68Å; F262-F315 HydrophobicContact CE2-CE2 4.38Å; F262-F315 HydrophobicContact CE2-CZ 4.42Å; F262-F315 HydrophobicContact CG-CE1 4.45Å; F262-F315 HydrophobicContact CG-CE2 4.39Å; F262-F315 HydrophobicContact CG-CZ 4.03Å; F262-F315 PolarHBondContact N-O 3.18Å; F262-F315 PolarHBondContact O-N 2.94Å; F262-F315 VanDerWaalsContact O-N 3.14Å; L303-F315 HydrophobicContact CG-CE1 4.26Å; L303-F315 HydrophobicContact CG-CZ 4.23Å; L306-F315 HydrophobicContact CD1-CE2 3.84Å; L306-F315 HydrophobicContact CD1-CZ 4.01Å; K308-F315 HydrophobicContact CB-CE1 4.1Å; K308-F315 HydrophobicContact CB-CZ 4.1Å; K308-F315 HydrophobicContact CD-CE1 4.42Å; K308-F315 HydrophobicContact CG-CE1 4.19Å; K308-F315 HydrophobicContact CG-CZ 4.02Å; D312-F315 HydrophobicContact CB-CD1 4.39Å; L313-F315 HydrophobicContact CD2-CD1 4.28Å; L313-F315 HydrophobicContact CD2-CE1 4.05Å; F315-V326 HydrophobicContact CD2-CG1 4.1Å
316I97.7Very high93.8Very high4 Ų439.3 Ų39.32%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-104.3142.6176.3-70.5165.9000110M259 L260 L261 F274 Y327 L331 A334 L335 L341 F344M259-I316 HydrophobicContact CG-CG2 4Å; M259-I316 HydrophobicContact SD-CG2 4.47Å; L260-I316 CarbonylContact O-C 3.59Å; L260-I316 VanDerWaalsContact O-CA 3.25Å; L260-I316 WeakPolarHBondContact O-CA 3.46Å; L261-I316 HydrophobicContact CB-CG1 4.49Å; L261-I316 HydrophobicContact CD1-CG1 3.9Å; F274-I316 HydrophobicContact CD2-CD1 3.9Å; F274-I316 HydrophobicContact CD2-CG1 4.48Å; F274-I316 HydrophobicContact CE2-CD1 3.74Å; F274-I316 HydrophobicContact CE2-CG1 4.2Å; I316-Y327 WeakPolarHBondContact O-CB 3.28Å; I316-Y327 PolarHBondContact O-N 3.09Å; I316-L331 HydrophobicContact CD1-CD1 3.34Å; I316-L331 HydrophobicContact CG1-CD1 3.69Å; I316-A334 HydrophobicContact CD1-CB 4.13Å; I316-L335 HydrophobicContact CD1-CD2 4.42Å; I316-L341 HydrophobicContact CD1-CD1 3.89Å; I316-L341 HydrophobicContact CD1-CD2 4.2Å; I316-L341 HydrophobicContact CG2-CD2 4.27Å; I316-F344 HydrophobicContact CG2-CE1 4.5Å
317C96.3Very high94.1Very high0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-140.3158.5165.767.70000111.6L260 F262 Y325 V326L260-C317 PolarHBondContact N-O 2.91Å; L260-C317 PolarHBondContact O-N 3.06Å; F262-C317 VanDerWaalsContact CE2-SG 3.59Å; C317-Y325 CarbonylContact C-O 3.53Å; C317-Y325 WeakPolarHBondContact CA-O 3.43Å; C317-Y325 WeakPolarHBondContact CB-O 3.34Å; C317-V326 HydrophobicContact CB-CG2 4.43Å
318L96.8Very high94.2Very high0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-101.7128.5166.4-75.1169.4000109.4L258 M259 V289 M324 Y325 F344 V345 L348 L353L258-L318 CarbonylContact O-C 3.59Å; L258-L318 VanDerWaalsContact O-CA 3.29Å; L258-L318 WeakPolarHBondContact O-CA 2.98Å; M259-L318 HydrophobicContact CB-CD2 3.72Å; M259-L318 HydrophobicContact CE-CD2 4.04Å; M259-L318 HydrophobicContact CG-CD2 4.19Å; V289-L318 HydrophobicContact CG1-CD2 4.41Å; L318-M324 CarbonylContact O-C 3.47Å; L318-M324 WeakPolarHBondContact O-CA 3.39Å; L318-Y325 PolarHBondContact N-O 2.89Å; L318-Y325 PolarHBondContact O-N 3.41Å; L318-F344 HydrophobicContact CB-CE1 4.1Å; L318-F344 HydrophobicContact CB-CZ 4.19Å; L318-F344 HydrophobicContact CD1-CB 4.37Å; L318-F344 HydrophobicContact CD1-CD1 3.43Å; L318-F344 VanDerWaalsContact CD1-CD1 3.43Å; L318-F344 HydrophobicContact CD1-CD2 3.94Å; L318-F344 HydrophobicContact CD1-CE1 3.57Å; L318-F344 HydrophobicContact CD1-CE2 4.06Å; L318-F344 HydrophobicContact CD1-CG 3.63Å; L318-F344 HydrophobicContact CD1-CZ 3.88Å; L318-F344 WeakPolarHBondContact CD1-O 3.41Å; L318-F344 HydrophobicContact CG-CD1 3.75Å; L318-F344 HydrophobicContact CG-CE1 3.51Å; L318-F344 HydrophobicContact CG-CG 4.44Å; L318-F344 HydrophobicContact CG-CZ 4.02Å; L318-V345 HydrophobicContact CD2-CG2 4.34Å; L318-L348 HydrophobicContact CB-CD2 4.29Å; L318-L348 HydrophobicContact CD1-CB 4.01Å; L318-L348 HydrophobicContact CD1-CD2 4.2Å; L318-L348 HydrophobicContact CD2-CD2 4.34Å; L318-L353 HydrophobicContact CD1-CD1 4.13Å
319D94.9Very high94.1Very high0 Ų040.5 Ų40.50%023%0.23CC..EExtended strand (participates in β ladder)trans-109.1116.2170.9-171.2-18.6000109.4P257 L258 L260 F321 M324 S385 F387P257-D319 CarbonylContact C-O 3.55Å; P257-D319 VanDerWaalsContact CA-O 3.23Å; P257-D319 WeakPolarHBondContact CA-O 3.23Å; P257-D319 WeakPolarHBondContact CB-O 3.28Å; L258-D319 HydrophobicContact CB-CB 4.26Å; L258-D319 PolarHBondContact N-O 3.49Å; L258-D319 PolarHBondContact O-N 3.36Å; L260-D319 HydrophobicContact CD1-CB 3.58Å; D319-F321 VanDerWaalsContact C-N 3.29Å; D319-F321 VanDerWaalsContact OD1-CA 3.31Å; D319-F321 WeakPolarHBondContact OD1-CA 3.29Å; D319-F321 PolarHBondContact OD1-N 2.76Å; D319-M324 HydrophobicContact CB-CE 4.44Å; D319-M324 HydrophobicContact CB-CG 4.09Å; D319-S385 WeakPolarHBondContact OD1-CB 3.38Å; D319-S385 PolarHBondContact OD1-OG 3.34Å; D319-S385 PolarHBondContact OD2-OG 3.29Å; D319-F387 WeakPolarHBondContact OD2-CD2 3.44Å
320S93.6Very high94.2Very high33 Ų3341.7 Ų41.723%0.23124%0.239CC..  trans-85.71.5178.471.40000114.1A322 H323S320-A322 PolarHBondContact O-N 2.97Å; S320-A322 PolarHBondContact OG-N 2.8Å; S320-H323 PolarHBondContact N-O 3.29Å; S320-H323 PolarHBondContact OG-N 2.89Å; S320-H323 PolarHBondContact OG-O 3.27Å; S320-H323 VanDerWaalsContact OG-O 3.12Å
321F90.2Very high94.3Very high37 Ų3735.7 Ų35.716%0.16221%0.213CC..SBendtrans65.4-10.3-162-59.7-62.3000115.9T252 L256 L258 D319 S385 F387T252-F321 HydrophobicContact CG2-CE1 3.47Å; T252-F321 VanDerWaalsContact CG2-CE1 3.47Å; T252-F321 HydrophobicContact CG2-CZ 3.72Å; L256-F321 WeakPolarHBondContact O-CE2 3.42Å; L258-F321 HydrophobicContact CD1-CE1 4.15Å; L258-F321 HydrophobicContact CD1-CZ 4.14Å; L258-F321 HydrophobicContact CD2-CZ 4.07Å; L258-F321 HydrophobicContact CG-CE1 4.27Å; L258-F321 HydrophobicContact CG-CZ 3.87Å; D319-F321 VanDerWaalsContact C-N 3.29Å; D319-F321 VanDerWaalsContact OD1-CA 3.31Å; D319-F321 WeakPolarHBondContact OD1-CA 3.29Å; D319-F321 PolarHBondContact OD1-N 2.76Å; F321-S385 VanDerWaalsContact C-CB 3.46Å; F321-S385 WeakPolarHBondContact O-CB 3.49Å; F321-F387 HydrophobicContact CD1-CB 4.45Å; F321-F387 HydrophobicContact CE1-CB 4.15Å
322A87.4Confident94.4Very high52 Ų5234.3 Ų34.343%0.4321%0.206SC..SBendtrans-97.2-47.6166.700000110.7S320 S385S320-A322 PolarHBondContact O-N 2.97Å; S320-A322 PolarHBondContact OG-N 2.8Å; A322-S385 PolarHBondContact O-N 2.84Å
323H90Very high94.4Very high24 Ų2435.8 Ų35.811%0.11121%0.213CC..BIsolated β-bridgetrans-139.8152.6-175.9-60.1-61.9000111S320 Y325 H354S320-H323 PolarHBondContact N-O 3.29Å; S320-H323 PolarHBondContact OG-N 2.89Å; S320-H323 PolarHBondContact OG-O 3.27Å; S320-H323 VanDerWaalsContact OG-O 3.12Å; H323-Y325 HydrophobicContact CB-CE1 4.15Å; H323-Y325 HydrophobicContact CB-CE2 3.97Å; H323-H354 AromaticContact CD2-ND1 3.57Å; H323-H354 AromaticContact NE2-CE1 3.79Å; H323-H354 AromaticContact NE2-ND1 3.73Å
324M92.3Very high94.4Very high4 Ų434.6 Ų34.62%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-105.1130.2171-60.1-176.975.500110.6F262 L306 L318 D319 H383 F387F262-M324 HydrophobicContact CE2-CE 4.15Å; F262-M324 HydrophobicContact CZ-CE 4.39Å; L306-M324 HydrophobicContact CD1-CE 3.86Å; L306-M324 HydrophobicContact CD1-SD 4.47Å; L306-M324 HydrophobicContact CD2-CB 3.59Å; L306-M324 HydrophobicContact CD2-CE 4.39Å; L306-M324 HydrophobicContact CD2-CG 4.46Å; L306-M324 HydrophobicContact CD2-SD 4.13Å; L306-M324 HydrophobicContact CG-CE 4.35Å; L306-M324 HydrophobicContact CG-SD 4.32Å; L318-M324 CarbonylContact O-C 3.47Å; L318-M324 WeakPolarHBondContact O-CA 3.39Å; D319-M324 HydrophobicContact CB-CE 4.44Å; D319-M324 HydrophobicContact CB-CG 4.09Å; M324-H383 PolarHBondContact N-O 2.77Å; M324-F387 HydrophobicContact CE-CD2 4.15Å; M324-F387 HydrophobicContact CE-CE2 3.85Å; M324-F387 HydrophobicContact SD-CD2 4.47Å
325Y94Very high94.4Very high17 Ų1733.2 Ų33.27%0.06720%0.197CC..EExtended strand (participates in β ladder)trans-115.1112.8-179.6-52.8-77.9000109.1C317 L318 H323 F344 L348 L353 H354 Y357C317-Y325 CarbonylContact C-O 3.53Å; C317-Y325 WeakPolarHBondContact CA-O 3.43Å; C317-Y325 WeakPolarHBondContact CB-O 3.34Å; L318-Y325 PolarHBondContact N-O 2.89Å; L318-Y325 PolarHBondContact O-N 3.41Å; H323-Y325 HydrophobicContact CB-CE1 4.15Å; H323-Y325 HydrophobicContact CB-CE2 3.97Å; Y325-F344 WeakPolarHBondContact O-CZ 3.42Å; Y325-L348 HydrophobicContact CD2-CD1 3.8Å; Y325-L348 HydrophobicContact CE2-CD1 3.53Å; Y325-L353 HydrophobicContact CD1-CB 3.81Å; Y325-L353 HydrophobicContact CD1-CD1 4.49Å; Y325-L353 HydrophobicContact CD2-CB 4.27Å; Y325-L353 HydrophobicContact CD2-CD1 4.03Å; Y325-L353 HydrophobicContact CE1-CB 3.83Å; Y325-L353 WeakPolarHBondContact CE1-O 3.44Å; Y325-L353 HydrophobicContact CE2-CB 4.29Å; Y325-L353 HydrophobicContact CG-CB 4.03Å; Y325-L353 HydrophobicContact CG-CD1 3.92Å; Y325-H354 WeakPolarHBondContact OH-CA 3.36Å; Y325-H354 WeakPolarHBondContact OH-CB 3.31Å; Y325-Y357 HydrophobicContact CD1-CD2 4.35Å; Y325-Y357 HydrophobicContact CE1-CD2 4.29Å; Y325-Y357 HydrophobicContact CE1-CG 4.4Å
326V94.8Very high94.4Very high52 Ų5236.4 Ų36.432%0.31522%0.221SC..EExtended strand (participates in β ladder)trans-75.5134.1175.2-178.40000108.7L306 F315 C317L306-V326 HydrophobicContact CD1-CG2 4.25Å; L306-V326 HydrophobicContact CD2-CG2 3.99Å; F315-V326 HydrophobicContact CD2-CG1 4.1Å; C317-V326 HydrophobicContact CB-CG2 4.43Å
327Y96.2Very high94.4Very high20 Ų2039.3 Ų39.38%0.07824%0.236CC..  trans-60.7128173.7178.1-101.3000109.2I316 G329 A334 L340 L341 F344I316-Y327 WeakPolarHBondContact O-CB 3.28Å; I316-Y327 PolarHBondContact O-N 3.09Å; Y327-G329 VanDerWaalsContact C-N 3.27Å; Y327-G329 VanDerWaalsContact CD1-N 3.33Å; Y327-G329 VanDerWaalsContact CD1-O 3.3Å; Y327-G329 WeakPolarHBondContact CD1-O 3.25Å; Y327-G329 VanDerWaalsContact CE1-CA 3.43Å; Y327-G329 PolarHBondContact O-N 3.36Å; Y327-A334 HydrophobicContact CD1-CB 3.83Å; Y327-A334 HydrophobicContact CE1-CB 3.52Å; Y327-A334 HydrophobicContact CG-CB 4.49Å; Y327-L340 HydrophobicContact CE2-CB 4.47Å; Y327-L340 WeakPolarHBondContact OH-CB 3.36Å; Y327-L341 HydrophobicContact CD2-CD2 4.04Å; Y327-L341 HydrophobicContact CE2-CD2 4.21Å; Y327-F344 HydrophobicContact CD2-CB 4.37Å; Y327-F344 AromaticContact CD2-CD1 3.82Å; Y327-F344 HydrophobicContact CD2-CD1 3.82Å; Y327-F344 HydrophobicContact CD2-CD2 4.46Å; Y327-F344 HydrophobicContact CD2-CE1 4.15Å; Y327-F344 AromaticContact CD2-CG 3.99Å; Y327-F344 HydrophobicContact CD2-CG 3.99Å; Y327-F344 HydrophobicContact CG-CE1 4.48Å
328P92.1Very high94.3Very high120 Ų12041.5 Ų41.578%0.77925%0.251SS*.SBendtrans-70.3-19.7-16925-34.8000114.4
329G92.8Very high94.4Very high27 Ų2748.8 Ų48.828%0.27828%0.282SS..SBendtrans-97.1178.717900000113.7Y327Y327-G329 VanDerWaalsContact C-N 3.27Å; Y327-G329 VanDerWaalsContact CD1-N 3.33Å; Y327-G329 VanDerWaalsContact CD1-O 3.3Å; Y327-G329 WeakPolarHBondContact CD1-O 3.25Å; Y327-G329 VanDerWaalsContact CE1-CA 3.43Å; Y327-G329 PolarHBondContact O-N 3.36Å
330S95.2Very high94.5Very high71 Ų7151.1 Ų51.150%0.49730%0.295SS..  trans-70.3159.5169.869.90000111.2E332 M333 A334S330-E332 PolarHBondContact O-N 2.93Å; S330-M333 WeakPolarHBondContact O-CB 3.37Å; S330-M333 PolarHBondContact O-N 2.88Å; S330-M333 VanDerWaalsContact O-N 3.17Å; S330-M333 PolarHBondContact OG-N 2.72Å; S330-A334 PolarHBondContact O-N 3.2Å
331L95.7Very high94.7Very high13 Ų1349.6 Ų49.67%0.06828%0.284CS..Hα-helixtrans-58.5-38.1173-178.160.2000112.4L261 I270 P314 I316 M333 A334 L335L261-L331 HydrophobicContact CD1-CD1 3.78Å; L261-L331 HydrophobicContact CD1-CD2 3.74Å; L261-L331 HydrophobicContact CD1-CG 4.46Å; I270-L331 HydrophobicContact CD1-CD2 3.48Å; I270-L331 VanDerWaalsContact CD1-CD2 3.48Å; I270-L331 HydrophobicContact CD1-CG 4.25Å; I270-L331 HydrophobicContact CG1-CD2 3.25Å; I270-L331 HydrophobicContact CG1-CG 4.45Å; P314-L331 HydrophobicContact CB-CD2 3.71Å; P314-L331 HydrophobicContact CG-CD2 3.44Å; P314-L331 VanDerWaalsContact CG-CD2 3.44Å; I316-L331 HydrophobicContact CD1-CD1 3.34Å; I316-L331 HydrophobicContact CG1-CD1 3.69Å; L331-M333 VanDerWaalsContact C-N 3.31Å; L331-M333 PolarHBondContact O-N 3.28Å; L331-A334 WeakPolarHBondContact O-CB 3.37Å; L331-A334 PolarHBondContact O-N 2.92Å; L331-L335 HydrophobicContact CD1-CD1 3.76Å; L331-L335 HydrophobicContact CD1-CD2 4.47Å; L331-L335 HydrophobicContact CD1-CG 3.88Å; L331-L335 HydrophobicContact CG-CD1 3.92Å; L331-L335 HydrophobicContact CG-CG 4.33Å; L331-L335 WeakPolarHBondContact O-CG 3.08Å; L331-L335 PolarHBondContact O-N 3.03Å
332E95.8Very high95Very high102 Ų10250.1 Ų50.148%0.47729%0.288SS..Hα-helixtrans-60.4-41.9176.8-70.2-59.2153.800112.1R273 S330 S336R273-E332 IonicContact CZ-OE1 2.71Å; R273-E332 IonicContact CZ-OE2 2.82Å; R273-E332 IonicContact NH1-OE1 3.77Å; R273-E332 PolarHBondContact NH1-OE1 3.4Å; R273-E332 IonicContact NH1-OE2 2.77Å; R273-E332 PolarHBondContact NH1-OE2 3.47Å; R273-E332 IonicContact NH2-OE2 3.82Å; R273-E332 PolarHBondContact NH2-OE2 3.23Å; S330-E332 PolarHBondContact O-N 2.93Å; E332-S336 WeakPolarHBondContact O-CB 3.18Å; E332-S336 PolarHBondContact O-N 3.21Å
333M96.2Very high95.5Very high92 Ų9252.3 Ų52.345%0.45329%0.29SS..Hα-helixtrans-65.3-48.6174.4-179.1-178.9-179.700110.8S330 L331 L335 S336 L340S330-M333 WeakPolarHBondContact O-CB 3.37Å; S330-M333 PolarHBondContact O-N 2.88Å; S330-M333 VanDerWaalsContact O-N 3.17Å; S330-M333 PolarHBondContact OG-N 2.72Å; L331-M333 VanDerWaalsContact C-N 3.31Å; L331-M333 PolarHBondContact O-N 3.28Å; M333-L335 PolarHBondContact O-N 2.85Å; M333-S336 WeakPolarHBondContact O-CB 3.39Å; M333-S336 PolarHBondContact O-N 3.02Å; M333-S336 PolarHBondContact O-OG 3.42Å; M333-L340 HydrophobicContact CE-CD1 4.31Å; M333-L340 HydrophobicContact CE-CD2 4.5Å; M333-L340 HydrophobicContact CG-CD1 3.96Å; M333-L340 VanDerWaalsContact O-CD1 3.28Å; M333-L340 WeakPolarHBondContact O-CD1 3.37Å
334A97.2Very high95.8Very high0 Ų051.6 Ų51.60%029%0.286CS..Hα-helixtrans-54.7-38.3178.900000113.2I316 Y327 S330 L331 L341I316-A334 HydrophobicContact CD1-CB 4.13Å; Y327-A334 HydrophobicContact CD1-CB 3.83Å; Y327-A334 HydrophobicContact CE1-CB 3.52Å; Y327-A334 HydrophobicContact CG-CB 4.49Å; S330-A334 PolarHBondContact O-N 3.2Å; L331-A334 WeakPolarHBondContact O-CB 3.37Å; L331-A334 PolarHBondContact O-N 2.92Å; A334-L341 HydrophobicContact CB-CD1 4.36Å; A334-L341 HydrophobicContact CB-CD2 3.98Å; A334-L341 HydrophobicContact CB-CG 4.17Å
335L97.1Very high96.1Very high13 Ų1351.4 Ų51.47%0.06829%0.285CS..THydrogen-bonded Turntrans-92.35.6-178-58.1-177.7000113.7R273 F274 F277 I316 L331 M333 L341R273-L335 HydrophobicContact CG-CD1 4.06Å; F274-L335 HydrophobicContact CD2-CD2 4.09Å; F277-L335 HydrophobicContact CB-CD2 3.94Å; F277-L335 HydrophobicContact CD1-CD2 3.9Å; F277-L335 HydrophobicContact CD2-CB 4.23Å; F277-L335 HydrophobicContact CD2-CD2 4.09Å; F277-L335 HydrophobicContact CE1-CD2 4.39Å; F277-L335 HydrophobicContact CE2-CB 4.46Å; F277-L335 WeakPolarHBondContact CE2-O 3.28Å; F277-L335 HydrophobicContact CG-CD2 3.71Å; I316-L335 HydrophobicContact CD1-CD2 4.42Å; L331-L335 HydrophobicContact CD1-CD1 3.76Å; L331-L335 HydrophobicContact CD1-CD2 4.47Å; L331-L335 HydrophobicContact CD1-CG 3.88Å; L331-L335 HydrophobicContact CG-CD1 3.92Å; L331-L335 HydrophobicContact CG-CG 4.33Å; L331-L335 WeakPolarHBondContact O-CG 3.08Å; L331-L335 PolarHBondContact O-N 3.03Å; M333-L335 PolarHBondContact O-N 2.85Å; L335-L341 HydrophobicContact CD2-CD1 4.09Å
336S96.4Very high96.2Very high84 Ų8454 Ų5459%0.58730%0.298SS*.THydrogen-bonded Turntrans-91-30.1179.768.60000113.3E332 M333E332-S336 WeakPolarHBondContact O-CB 3.18Å; E332-S336 PolarHBondContact O-N 3.21Å; M333-S336 WeakPolarHBondContact O-CB 3.39Å; M333-S336 PolarHBondContact O-N 3.02Å; M333-S336 PolarHBondContact O-OG 3.42Å
337D96.9Very high96.3Very high64 Ų6452.3 Ų52.334%0.34229%0.287SS..  trans-137.2116.9179.6-177.7-5.4000110.2K339 L340D337-K339 PolarHBondContact O-N 2.88Å; D337-K339 WeakPolarHBondContact OD1-CB 3.35Å; D337-K339 WeakPolarHBondContact OD1-CG 3.41Å; D337-K339 PolarHBondContact OD1-N 3.13Å; D337-L340 HydrophobicContact CB-CD1 3.95Å; D337-L340 HydrophobicContact CB-CG 4.08Å; D337-L340 WeakPolarHBondContact O-CB 3.25Å; D337-L340 PolarHBondContact O-N 2.79Å; D337-L340 VanDerWaalsContact O-N 3.08Å
338P95.5Very high96.3Very high46 Ų4652.5 Ų52.530%0.29929%0.289SS..Hα-helixtrans-43.7-37.9173.1-34.540.6000115.2F277 H281 L340 L341 D342F277-P338 HydrophobicContact CE2-CG 4.37Å; F277-P338 HydrophobicContact CZ-CB 4.43Å; F277-P338 HydrophobicContact CZ-CG 4.33Å; H281-P338 HydrophobicContact CB-CB 3.95Å; H281-P338 HydrophobicContact CB-CG 4.09Å; P338-L340 PolarHBondContact O-N 3.23Å; P338-L341 PolarHBondContact O-N 2.95Å; P338-D342 WeakPolarHBondContact O-CB 3.37Å; P338-D342 PolarHBondContact O-N 3.16Å; P338-D342 VanDerWaalsContact O-N 3.15Å
339K97.2Very high96.4Very high153 Ų15351 Ų5167%0.66527%0.271SS*.Hα-helixtrans-63.6-26.7-175.5-65.7178.7179.8178.20113.1D337 Q343D337-K339 PolarHBondContact O-N 2.88Å; D337-K339 WeakPolarHBondContact OD1-CB 3.35Å; D337-K339 WeakPolarHBondContact OD1-CG 3.41Å; D337-K339 PolarHBondContact OD1-N 3.13Å; K339-Q343 WeakPolarHBondContact O-CB 3.31Å; K339-Q343 PolarHBondContact O-N 2.88Å
340L97.9Very high96.5Very high50 Ų5053.7 Ų53.726%0.26229%0.285SS..Hα-helixtrans-70.2-47.5-175.8-66.2171.5000111.6Y327 M333 D337 P338 F344Y327-L340 HydrophobicContact CE2-CB 4.47Å; Y327-L340 WeakPolarHBondContact OH-CB 3.36Å; M333-L340 HydrophobicContact CE-CD1 4.31Å; M333-L340 HydrophobicContact CE-CD2 4.5Å; M333-L340 HydrophobicContact CG-CD1 3.96Å; M333-L340 VanDerWaalsContact O-CD1 3.28Å; M333-L340 WeakPolarHBondContact O-CD1 3.37Å; D337-L340 HydrophobicContact CB-CD1 3.95Å; D337-L340 HydrophobicContact CB-CG 4.08Å; D337-L340 WeakPolarHBondContact O-CB 3.25Å; D337-L340 PolarHBondContact O-N 2.79Å; D337-L340 VanDerWaalsContact O-N 3.08Å; P338-L340 PolarHBondContact O-N 3.23Å; L340-F344 WeakPolarHBondContact O-CB 3.33Å; L340-F344 PolarHBondContact O-N 3.37Å
341L97.6Very high96.3Very high0 Ų051.6 Ų51.60%028%0.275CS..Hα-helixtrans-76.1-31.1177.1-70.9-174.7000112.4M259 F277 L282 I316 Y327 A334 L335 P338 F344 V345M259-L341 HydrophobicContact CE-CB 4.29Å; M259-L341 HydrophobicContact CE-CD2 4.38Å; M259-L341 HydrophobicContact SD-CD1 4.34Å; F277-L341 HydrophobicContact CD1-CD1 4.15Å; F277-L341 HydrophobicContact CE1-CB 4.32Å; F277-L341 HydrophobicContact CE1-CD1 3.73Å; F277-L341 HydrophobicContact CE1-CG 4.36Å; F277-L341 HydrophobicContact CZ-CD1 4.46Å; L282-L341 HydrophobicContact CD1-CB 3.89Å; L282-L341 HydrophobicContact CD1-CD1 4.26Å; I316-L341 HydrophobicContact CD1-CD1 3.89Å; I316-L341 HydrophobicContact CD1-CD2 4.2Å; I316-L341 HydrophobicContact CG2-CD2 4.27Å; Y327-L341 HydrophobicContact CD2-CD2 4.04Å; Y327-L341 HydrophobicContact CE2-CD2 4.21Å; A334-L341 HydrophobicContact CB-CD1 4.36Å; A334-L341 HydrophobicContact CB-CD2 3.98Å; A334-L341 HydrophobicContact CB-CG 4.17Å; L335-L341 HydrophobicContact CD2-CD1 4.09Å; P338-L341 PolarHBondContact O-N 2.95Å; L341-F344 HydrophobicContact CD2-CD1 4.33Å; L341-F344 PolarHBondContact O-N 3.41Å; L341-V345 WeakPolarHBondContact O-CG2 3.47Å; L341-V345 PolarHBondContact O-N 3.41Å; L341-V345 VanDerWaalsContact O-N 3.1Å
342D97.1Very high96.2Very high49 Ų4954.5 Ų54.526%0.26229%0.287SS..Hα-helixtrans-60-52.4170.7-167.284.7000110.6L282 H284 H285 P338 F344 V345 E346L282-D342 HydrophobicContact CD2-CB 4.22Å; H284-D342 IonicContact CD2-OD1 3.79Å; H284-D342 IonicContact CE1-OD1 3.83Å; H284-D342 PolarHBondContact CE1-OD1 3.06Å; H284-D342 IonicContact NE2-OD1 3.01Å; H284-D342 PolarHBondContact NE2-OD1 2.93Å; H285-D342 IonicContact CD2-OD1 3.73Å; H285-D342 IonicContact CE1-OD1 2.73Å; H285-D342 IonicContact NE2-OD1 2.87Å; H285-D342 PolarHBondContact NE2-OD1 3.44Å; P338-D342 WeakPolarHBondContact O-CB 3.37Å; P338-D342 PolarHBondContact O-N 3.16Å; P338-D342 VanDerWaalsContact O-N 3.15Å; D342-F344 VanDerWaalsContact C-N 3.27Å; D342-F344 PolarHBondContact O-N 3.25Å; D342-V345 WeakPolarHBondContact O-CB 3.15Å; D342-V345 PolarHBondContact O-N 3.39Å; D342-V345 VanDerWaalsContact O-N 3.08Å; D342-E346 PolarHBondContact O-N 3.06Å
343Q97.1Very high96Very high98 Ų9850.4 Ų50.446%0.45827%0.268SS..Hα-helixtrans-60.8-37.1176.3-171.162.858.200112K339 V345 E346 D347K339-Q343 WeakPolarHBondContact O-CB 3.31Å; K339-Q343 PolarHBondContact O-N 2.88Å; Q343-V345 VanDerWaalsContact C-N 3.29Å; Q343-V345 PolarHBondContact O-N 3.42Å; Q343-E346 PolarHBondContact O-N 2.92Å; Q343-D347 PolarHBondContact NE2-OD1 2.95Å; Q343-D347 VanDerWaalsContact O-CB 3.29Å; Q343-D347 WeakPolarHBondContact O-CB 3.37Å; Q343-D347 PolarHBondContact O-N 3.32Å
344F97.4Very high95.6Very high9 Ų950 Ų504%0.03927%0.265CS..Hα-helixtrans-62.3-38177.1-169.6-141.9000112.1I316 L318 Y325 Y327 L340 L341 D342 L348 L353I316-F344 HydrophobicContact CG2-CE1 4.5Å; L318-F344 HydrophobicContact CB-CE1 4.1Å; L318-F344 HydrophobicContact CB-CZ 4.19Å; L318-F344 HydrophobicContact CD1-CB 4.37Å; L318-F344 HydrophobicContact CD1-CD1 3.43Å; L318-F344 VanDerWaalsContact CD1-CD1 3.43Å; L318-F344 HydrophobicContact CD1-CD2 3.94Å; L318-F344 HydrophobicContact CD1-CE1 3.57Å; L318-F344 HydrophobicContact CD1-CE2 4.06Å; L318-F344 HydrophobicContact CD1-CG 3.63Å; L318-F344 HydrophobicContact CD1-CZ 3.88Å; L318-F344 WeakPolarHBondContact CD1-O 3.41Å; L318-F344 HydrophobicContact CG-CD1 3.75Å; L318-F344 HydrophobicContact CG-CE1 3.51Å; L318-F344 HydrophobicContact CG-CG 4.44Å; L318-F344 HydrophobicContact CG-CZ 4.02Å; Y325-F344 WeakPolarHBondContact O-CZ 3.42Å; Y327-F344 HydrophobicContact CD2-CB 4.37Å; Y327-F344 AromaticContact CD2-CD1 3.82Å; Y327-F344 HydrophobicContact CD2-CD1 3.82Å; Y327-F344 HydrophobicContact CD2-CD2 4.46Å; Y327-F344 HydrophobicContact CD2-CE1 4.15Å; Y327-F344 AromaticContact CD2-CG 3.99Å; Y327-F344 HydrophobicContact CD2-CG 3.99Å; Y327-F344 HydrophobicContact CG-CE1 4.48Å; L340-F344 WeakPolarHBondContact O-CB 3.33Å; L340-F344 PolarHBondContact O-N 3.37Å; L341-F344 HydrophobicContact CD2-CD1 4.33Å; L341-F344 PolarHBondContact O-N 3.41Å; D342-F344 VanDerWaalsContact C-N 3.27Å; D342-F344 PolarHBondContact O-N 3.25Å; F344-L348 PolarHBondContact O-N 3.23Å; F344-L353 HydrophobicContact CD2-CD1 3.87Å; F344-L353 HydrophobicContact CD2-CD2 4.16Å; F344-L353 HydrophobicContact CE2-CD1 3.57Å; F344-L353 HydrophobicContact CE2-CD2 3.98Å; F344-L353 HydrophobicContact CE2-CG 4.46Å; F344-L353 HydrophobicContact CZ-CD1 4.41Å
345V97.2Very high95.2Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-69.3-42.6173.4169.70000111.6M259 V289 L318 L341 D342 Q343 L348 K349M259-V345 HydrophobicContact CE-CG2 3.36Å; V289-V345 HydrophobicContact CG2-CG1 3.67Å; V289-V345 HydrophobicContact CG2-CG2 4.34Å; L318-V345 HydrophobicContact CD2-CG2 4.34Å; L341-V345 WeakPolarHBondContact O-CG2 3.47Å; L341-V345 PolarHBondContact O-N 3.41Å; L341-V345 VanDerWaalsContact O-N 3.1Å; D342-V345 WeakPolarHBondContact O-CB 3.15Å; D342-V345 PolarHBondContact O-N 3.39Å; D342-V345 VanDerWaalsContact O-N 3.08Å; Q343-V345 VanDerWaalsContact C-N 3.29Å; Q343-V345 PolarHBondContact O-N 3.42Å; V345-L348 WeakPolarHBondContact O-CB 3.31Å; V345-L348 PolarHBondContact O-N 2.98Å; V345-K349 HydrophobicContact CG1-CD 4.25Å; V345-K349 VanDerWaalsContact CG1-CE 3.47Å; V345-K349 WeakPolarHBondContact O-CG 3.26Å; V345-K349 PolarHBondContact O-N 2.86Å
346E97Very high94.7Very high71 Ų7156.2 Ų56.233%0.33230%0.295SS..Hα-helixtrans-68.1-33.9178.2-66.1-55.1129.400112.6H285 D342 Q343 L348 K349 S350H285-E346 IonicContact CE1-OE1 2.72Å; H285-E346 PolarHBondContact CE1-OE1 3.5Å; H285-E346 IonicContact ND1-OE1 3.72Å; H285-E346 IonicContact NE2-OE1 3.66Å; D342-E346 PolarHBondContact O-N 3.06Å; Q343-E346 PolarHBondContact O-N 2.92Å; E346-L348 VanDerWaalsContact C-N 3.28Å; E346-L348 PolarHBondContact O-N 2.93Å; E346-K349 PolarHBondContact O-N 3.1Å; E346-K349 WeakPolarHBondContact OE1-CD 3.48Å; E346-K349 IonicContact OE1-NZ 3.23Å; E346-K349 PolarHBondContact OE1-NZ 3.39Å; E346-S350 WeakPolarHBondContact O-CB 3.25Å; E346-S350 PolarHBondContact O-N 2.8Å; E346-S350 PolarHBondContact O-OG 2.81Å
347D96.9Very high93.9Very high17 Ų1754.8 Ų54.89%0.09128%0.277CS..Hα-helixtrans-65.1-33.6172.9-74.1-8.7000111.5Q343 S350 K352 L353Q343-D347 PolarHBondContact NE2-OD1 2.95Å; Q343-D347 VanDerWaalsContact O-CB 3.29Å; Q343-D347 WeakPolarHBondContact O-CB 3.37Å; Q343-D347 PolarHBondContact O-N 3.32Å; D347-S350 WeakPolarHBondContact CA-OG 3.09Å; D347-S350 PolarHBondContact O-OG 2.78Å; D347-K352 HydrophobicContact CB-CB 4.35Å; D347-K352 HydrophobicContact CB-CD 4.23Å; D347-K352 VanDerWaalsContact CG-NZ 3.29Å; D347-K352 WeakPolarHBondContact O-CB 3.18Å; D347-K352 PolarHBondContact O-N 2.93Å; D347-K352 WeakPolarHBondContact OD1-CD 3.37Å; D347-K352 IonicContact OD1-NZ 3.88Å; D347-K352 PolarHBondContact OD1-NZ 2.83Å; D347-K352 IonicContact OD2-NZ 3.4Å; D347-K352 PolarHBondContact OD2-NZ 2.93Å; D347-L353 HydrophobicContact CB-CD1 4.46Å; D347-L353 HydrophobicContact CB-CD2 3.85Å; D347-L353 HydrophobicContact CB-CG 3.79Å; D347-L353 PolarHBondContact O-N 3.26Å; D347-L353 VanDerWaalsContact O-N 3.11Å
348L95.3Very high93.2Very high23 Ų2356.1 Ų56.112%0.1228%0.281CS..Hα-helixtrans-67.4-50.7171.6-179.369000111P257 L318 Y325 F344 V345 E346 S350 G351 L353P257-L348 HydrophobicContact CB-CD2 3.63Å; P257-L348 HydrophobicContact CG-CD2 3.98Å; L318-L348 HydrophobicContact CB-CD2 4.29Å; L318-L348 HydrophobicContact CD1-CB 4.01Å; L318-L348 HydrophobicContact CD1-CD2 4.2Å; L318-L348 HydrophobicContact CD2-CD2 4.34Å; Y325-L348 HydrophobicContact CD2-CD1 3.8Å; Y325-L348 HydrophobicContact CE2-CD1 3.53Å; F344-L348 PolarHBondContact O-N 3.23Å; V345-L348 WeakPolarHBondContact O-CB 3.31Å; V345-L348 PolarHBondContact O-N 2.98Å; E346-L348 VanDerWaalsContact C-N 3.28Å; E346-L348 PolarHBondContact O-N 2.93Å; L348-S350 VanDerWaalsContact C-N 3.31Å; L348-S350 PolarHBondContact O-N 3.36Å; L348-G351 PolarHBondContact O-N 3.07Å; L348-L353 HydrophobicContact CB-CD1 3.83Å; L348-L353 HydrophobicContact CD1-CD1 4.2Å
349K93.9Very high92.5Very high90 Ų9062 Ų6239%0.39130%0.298SS..Hα-helixtrans-62.5-37.4-176.8-71.1172.7-173.7166.80112.9H285 T288 V345 E346 G351H285-K349 PolarHBondContact CE1-NZ 3.05Å; H285-K349 VanDerWaalsContact CE1-NZ 3.35Å; H285-K349 PolarHBondContact ND1-NZ 2.91Å; T288-K349 VanDerWaalsContact OG1-CE 3.28Å; T288-K349 WeakPolarHBondContact OG1-CE 3.11Å; T288-K349 PolarHBondContact OG1-NZ 3.22Å; V345-K349 HydrophobicContact CG1-CD 4.25Å; V345-K349 VanDerWaalsContact CG1-CE 3.47Å; V345-K349 WeakPolarHBondContact O-CG 3.26Å; V345-K349 PolarHBondContact O-N 2.86Å; E346-K349 PolarHBondContact O-N 3.1Å; E346-K349 WeakPolarHBondContact OE1-CD 3.48Å; E346-K349 IonicContact OE1-NZ 3.23Å; E346-K349 PolarHBondContact OE1-NZ 3.39Å; K349-G351 PolarHBondContact O-N 3.22Å
350S95.1Very high91.4Very high82 Ų8255.9 Ų55.957%0.57328%0.279SS*.THydrogen-bonded Turntrans-73.4-9.9177.158.90000113.5E346 D347 L348 K352E346-S350 WeakPolarHBondContact O-CB 3.25Å; E346-S350 PolarHBondContact O-N 2.8Å; E346-S350 PolarHBondContact O-OG 2.81Å; D347-S350 WeakPolarHBondContact CA-OG 3.09Å; D347-S350 PolarHBondContact O-OG 2.78Å; L348-S350 VanDerWaalsContact C-N 3.31Å; L348-S350 PolarHBondContact O-N 3.36Å; S350-K352 PolarHBondContact O-N 2.83Å; S350-K352 WeakPolarHBondContact OG-CB 3.2Å
351G91.9Very high89.6Confident27 Ų2759.5 Ų59.528%0.27831%0.305SS..THydrogen-bonded Turntrans77.70.7-173.400000113.8L348 K349 L353 H354 M355L348-G351 PolarHBondContact O-N 3.07Å; K349-G351 PolarHBondContact O-N 3.22Å; G351-L353 VanDerWaalsContact C-N 3.33Å; G351-L353 PolarHBondContact O-N 3.16Å; G351-H354 WeakPolarHBondContact O-CB 3.42Å; G351-H354 PolarHBondContact O-N 3.16Å; G351-H354 VanDerWaalsContact O-N 3.07Å; G351-M355 PolarHBondContact O-N 3.49Å
352K93.1Very high87.5Confident75 Ų7562 Ų6233%0.32633%0.331SS..Hα-helixtrans-56.4-45.1178.7176.2-178.4159.3-153.50111.8D347 S350 H354 M355 E356D347-K352 HydrophobicContact CB-CB 4.35Å; D347-K352 HydrophobicContact CB-CD 4.23Å; D347-K352 VanDerWaalsContact CG-NZ 3.29Å; D347-K352 WeakPolarHBondContact O-CB 3.18Å; D347-K352 PolarHBondContact O-N 2.93Å; D347-K352 WeakPolarHBondContact OD1-CD 3.37Å; D347-K352 IonicContact OD1-NZ 3.88Å; D347-K352 PolarHBondContact OD1-NZ 2.83Å; D347-K352 IonicContact OD2-NZ 3.4Å; D347-K352 PolarHBondContact OD2-NZ 2.93Å; S350-K352 PolarHBondContact O-N 2.83Å; S350-K352 WeakPolarHBondContact OG-CB 3.2Å; K352-H354 VanDerWaalsContact C-N 3.26Å; K352-H354 PolarHBondContact O-N 3.41Å; K352-M355 PolarHBondContact O-N 2.92Å; K352-M355 VanDerWaalsContact O-N 3.13Å; K352-E356 WeakPolarHBondContact CE-OE1 3.15Å; K352-E356 HydrophobicContact CG-CG 4.14Å; K352-E356 IonicContact NZ-OE1 2.71Å; K352-E356 WeakPolarHBondContact O-CG 3.49Å; K352-E356 PolarHBondContact O-N 3.31Å
353L91.2Very high85Confident16 Ų1661.3 Ų61.38%0.08434%0.336CS..Hα-helixtrans-60.1-37177.7-64.8-176.6000112.4L318 Y325 F344 D347 L348 G351 Y357L318-L353 HydrophobicContact CD1-CD1 4.13Å; Y325-L353 HydrophobicContact CD1-CB 3.81Å; Y325-L353 HydrophobicContact CD1-CD1 4.49Å; Y325-L353 HydrophobicContact CD2-CB 4.27Å; Y325-L353 HydrophobicContact CD2-CD1 4.03Å; Y325-L353 HydrophobicContact CE1-CB 3.83Å; Y325-L353 WeakPolarHBondContact CE1-O 3.44Å; Y325-L353 HydrophobicContact CE2-CB 4.29Å; Y325-L353 HydrophobicContact CG-CB 4.03Å; Y325-L353 HydrophobicContact CG-CD1 3.92Å; F344-L353 HydrophobicContact CD2-CD1 3.87Å; F344-L353 HydrophobicContact CD2-CD2 4.16Å; F344-L353 HydrophobicContact CE2-CD1 3.57Å; F344-L353 HydrophobicContact CE2-CD2 3.98Å; F344-L353 HydrophobicContact CE2-CG 4.46Å; F344-L353 HydrophobicContact CZ-CD1 4.41Å; D347-L353 HydrophobicContact CB-CD1 4.46Å; D347-L353 HydrophobicContact CB-CD2 3.85Å; D347-L353 HydrophobicContact CB-CG 3.79Å; D347-L353 PolarHBondContact O-N 3.26Å; D347-L353 VanDerWaalsContact O-N 3.11Å; L348-L353 HydrophobicContact CB-CD1 3.83Å; L348-L353 HydrophobicContact CD1-CD1 4.2Å; G351-L353 VanDerWaalsContact C-N 3.33Å; G351-L353 PolarHBondContact O-N 3.16Å; L353-Y357 VanDerWaalsContact O-CB 3.29Å; L353-Y357 WeakPolarHBondContact O-CB 3.4Å; L353-Y357 PolarHBondContact O-N 3.09Å; L353-Y357 VanDerWaalsContact O-N 3.07Å
354H89.1Confident82.4Confident82 Ų8259.3 Ų59.338%0.3834%0.342SS..Hα-helixtrans-68-41.9176.1178.771.1000111.6H323 Y325 G351 K352 Y357 H358H323-H354 AromaticContact CD2-ND1 3.57Å; H323-H354 AromaticContact NE2-CE1 3.79Å; H323-H354 AromaticContact NE2-ND1 3.73Å; Y325-H354 WeakPolarHBondContact OH-CA 3.36Å; Y325-H354 WeakPolarHBondContact OH-CB 3.31Å; G351-H354 WeakPolarHBondContact O-CB 3.42Å; G351-H354 PolarHBondContact O-N 3.16Å; G351-H354 VanDerWaalsContact O-N 3.07Å; K352-H354 VanDerWaalsContact C-N 3.26Å; K352-H354 PolarHBondContact O-N 3.41Å; H354-Y357 PolarHBondContact O-N 2.95Å; H354-H358 AromaticContact CE1-CD2 3.33Å; H354-H358 PolarHBondContact CE1-CD2 2.98Å; H354-H358 AromaticContact CE1-NE2 3.14Å; H354-H358 PolarHBondContact CE1-NE2 3.13Å; H354-H358 AromaticContact ND1-CD2 3.72Å; H354-H358 AromaticContact ND1-NE2 3.69Å; H354-H358 AromaticContact NE2-CD2 3.62Å; H354-H358 AromaticContact NE2-NE2 3.82Å; H354-H358 PolarHBondContact O-CD2 3.08Å; H354-H358 PolarHBondContact O-N 3.44Å
355M88.3Confident79.4Confident76 Ų7664.9 Ų64.937%0.37438%0.376SS..Hα-helixtrans-64.6-48.8175.9-67.1-178.565.600112.1G351 K352 Y357 H358 Y359G351-M355 PolarHBondContact O-N 3.49Å; K352-M355 PolarHBondContact O-N 2.92Å; K352-M355 VanDerWaalsContact O-N 3.13Å; M355-Y357 PolarHBondContact O-N 3.1Å; M355-H358 PolarHBondContact O-N 3.47Å; M355-H358 VanDerWaalsContact O-N 3.17Å; M355-Y359 HydrophobicContact CB-CD2 4.46Å; M355-Y359 WeakPolarHBondContact O-CB 3.42Å; M355-Y359 VanDerWaalsContact O-CD2 3.31Å; M355-Y359 WeakPolarHBondContact O-CD2 3.5Å; M355-Y359 PolarHBondContact O-N 3.21Å
356E87.6Confident76.2Confident69 Ų6971 Ų7132%0.32241%0.414SS..Hα-helixtrans-63.9-30180-70.5-178.3163.500112.2K352 G360K352-E356 WeakPolarHBondContact CE-OE1 3.15Å; K352-E356 HydrophobicContact CG-CG 4.14Å; K352-E356 IonicContact NZ-OE1 2.71Å; K352-E356 WeakPolarHBondContact O-CG 3.49Å; K352-E356 PolarHBondContact O-N 3.31Å; E356-G360 WeakPolarHBondContact CA-O 3.41Å; E356-G360 CarbonylContact O-C 3.55Å; E356-G360 WeakPolarHBondContact O-CA 3.17Å; E356-G360 PolarHBondContact O-N 3.14Å
357Y78.2Confident73.1Confident54 Ų5473.6 Ų73.621%0.21244%0.435CS..Hα-helixtrans-67.5-40.1174.6-164.8-86.5000112.5Y325 L353 H354 M355 P382 H383Y325-Y357 HydrophobicContact CD1-CD2 4.35Å; Y325-Y357 HydrophobicContact CE1-CD2 4.29Å; Y325-Y357 HydrophobicContact CE1-CG 4.4Å; L353-Y357 VanDerWaalsContact O-CB 3.29Å; L353-Y357 WeakPolarHBondContact O-CB 3.4Å; L353-Y357 PolarHBondContact O-N 3.09Å; L353-Y357 VanDerWaalsContact O-N 3.07Å; H354-Y357 PolarHBondContact O-N 2.95Å; M355-Y357 PolarHBondContact O-N 3.1Å; Y357-P382 HydrophobicContact CE1-CB 3.81Å; Y357-P382 WeakPolarHBondContact OH-CA 3.48Å; Y357-H383 PolarHBondContact OH-N 3.4Å; Y357-H383 VanDerWaalsContact OH-N 3.15Å
358H82.2Confident69.8Low92 Ų9279.4 Ų79.443%0.42647%0.471SS..Hα-helixtrans-84.4-33.5-179.1-77.2-58.3000114.2H354 M355H354-H358 AromaticContact CE1-CD2 3.33Å; H354-H358 PolarHBondContact CE1-CD2 2.98Å; H354-H358 AromaticContact CE1-NE2 3.14Å; H354-H358 PolarHBondContact CE1-NE2 3.13Å; H354-H358 AromaticContact ND1-CD2 3.72Å; H354-H358 AromaticContact ND1-NE2 3.69Å; H354-H358 AromaticContact NE2-CD2 3.62Å; H354-H358 AromaticContact NE2-NE2 3.82Å; H354-H358 PolarHBondContact O-CD2 3.08Å; H354-H358 PolarHBondContact O-N 3.44Å; M355-H358 PolarHBondContact O-N 3.47Å; M355-H358 VanDerWaalsContact O-N 3.17Å
359Y82.2Confident66.6Low168 Ų16883.2 Ų83.266%0.65950%0.5SS*.Hα-helixtrans-119.3-1-169.6-55.9-67.8000113.8M355M355-Y359 HydrophobicContact CB-CD2 4.46Å; M355-Y359 WeakPolarHBondContact O-CB 3.42Å; M355-Y359 VanDerWaalsContact O-CD2 3.31Å; M355-Y359 WeakPolarHBondContact O-CD2 3.5Å; M355-Y359 PolarHBondContact O-N 3.21Å
360G74.1Confident63.9Low26 Ų2685 Ų8527%0.26852%0.521SS..  trans73.3176.7-170.800000113.2E356 G362E356-G360 WeakPolarHBondContact CA-O 3.41Å; E356-G360 CarbonylContact O-C 3.55Å; E356-G360 WeakPolarHBondContact O-CA 3.17Å; E356-G360 PolarHBondContact O-N 3.14Å; G360-G362 PolarHBondContact O-N 2.9Å; G360-G362 VanDerWaalsContact O-N 3.13Å
361P58.7Low60.9Low125 Ų12588.5 Ų88.581%0.81253%0.531SS*.THydrogen-bonded Turntrans-60.6116.1179.2-19.231.1000111
362G54.8Low57.8Low52 Ų5292.5 Ų92.554%0.53655%0.55SS.*THydrogen-bonded Turntrans105.74.2174.100000117.4G360 G364G360-G362 PolarHBondContact O-N 2.9Å; G360-G362 VanDerWaalsContact O-N 3.13Å; G362-G364 PolarHBondContact O-N 2.89Å
363G43.3Very low55.4Low36 Ų3698.1 Ų98.137%0.37158%0.578SS.*THydrogen-bonded Turntrans-65.114.4-178.300000117.9
364G43.3Very low52.5Low56 Ų56104.8 Ų104.858%0.57761%0.613SS**THydrogen-bonded Turntrans-98.2-6.9-179.900000115.9G362G362-G364 PolarHBondContact O-N 2.89Å
365T34.4Very low49.9Very low125 Ų125106.8 Ų106.877%0.76763%0.627SS**  trans-135.477.8-174.429.10000112.3
366T30.4Very low47.3Very low130 Ų130112 Ų11280%0.79865%0.651SS**  trans-155.3106.21531.10000111.5T368T366-T368 PolarHBondContact O-N 2.65Å
367T30.8Very low45Very low124 Ų124112.8 Ų112.876%0.76166%0.664SS**  trans-39.3121.2150.921.10000111S369T367-S369 PolarHBondContact O-N 3.36Å
368T27.7Very low43Very low140 Ų140116 Ų11686%0.85969%0.689SS**  trans15.896.8152.58.60000115.8T366T366-T368 PolarHBondContact O-N 2.65Å
369S28.9Very low40.7Very low103 Ų103121.4 Ų121.472%0.7271%0.711SS**  trans-131139.2145.9-68.50000107.6T367 I371T367-S369 PolarHBondContact O-N 3.36Å; S369-I371 PolarHBondContact O-N 2.96Å
370P36.1Very low38.7Very low128 Ų128117 Ų11783%0.83170%0.701SS**  trans-71.4124.5-165.5-8.524.6000110T372P370-T372 PolarHBondContact O-N 2.82Å
371I31.9Very low37.5Very low155 Ų155121.5 Ų121.580%0.79572%0.724SS**  trans-66.8115174.7-61.5169.5000107.7S369S369-I371 PolarHBondContact O-N 2.96Å
372T28.5Very low37.4Very low110 Ų110118.1 Ų118.168%0.67570%0.702SS**  trans-69.2136.6166.137.10000109.8P370 D374P370-T372 PolarHBondContact O-N 2.82Å; T372-D374 PolarHBondContact O-N 3.12Å
373E40.8Very low38.1Very low193 Ų193118.9 Ų118.990%0.90269%0.691SS**THydrogen-bonded Turntrans-64.36.6-170.6-72.3-177.9151.400116.5
374D31.8Very low39.9Very low156 Ų156120.7 Ų120.783%0.83470%0.695SS**THydrogen-bonded Turntrans-113.36.5-176.5-68.7-39.9000114.9T372 E376T372-D374 PolarHBondContact O-N 3.12Å; D374-E376 PolarHBondContact O-N 3.33Å
375D34.7Very low41.7Very low125 Ų125118 Ų11867%0.66867%0.668SS**  trans-91.675.4168.3-133.4-10.7000108.9S377D375-S377 PolarHBondContact O-N 3.34Å
376E32.4Very low43.9Very low186 Ų186113 Ų11387%0.86964%0.636SS**  trans-66.861.1158.2-74.1-165.8157.200108.8D374 V378D374-E376 PolarHBondContact O-N 3.33Å; E376-V378 PolarHBondContact O-N 2.78Å
377S38.9Very low46.4Very low85 Ų85106.8 Ų106.859%0.59460%0.599SS**  trans-62.694165.765.50000106.4D375 K379D375-S377 PolarHBondContact O-N 3.34Å; S377-K379 PolarHBondContact O-N 2.95Å
378V37.4Very low48.7Very low122 Ų122105.6 Ų105.674%0.73959%0.585SS**  trans3.283.1168.6-169.80000112.4E376 T380E376-V378 PolarHBondContact O-N 2.78Å; V378-T380 HydrophobicContact CG1-CG2 3.85Å; V378-T380 PolarHBondContact O-N 2.96Å
379K34.2Very low51.1Low204 Ų204106 Ų10689%0.88758%0.576SS**  trans-66.291.9163.2-75.2-178.7-179172.70105.8S377 T381S377-K379 PolarHBondContact O-N 2.95Å; K379-T381 PolarHBondContact O-N 3.11Å
380T39.1Very low53.6Low75 Ų75103.2 Ų103.246%0.4655%0.553SS.*PPolyproline II helixtrans-60126.8171.649.50000107.5V378 P382V378-T380 HydrophobicContact CG1-CG2 3.85Å; V378-T380 PolarHBondContact O-N 2.96Å; T380-P382 WeakPolarHBondContact O-CD 3.41Å
381T48.3Very low55.7Low122 Ų12299.5 Ų99.575%0.74853%0.53SS*.PPolyproline II helixtrans-66.7119.417343.10000108.1K379K379-T381 PolarHBondContact O-N 3.11Å
382P56.6Low58Low54 Ų5492.8 Ų92.835%0.35150%0.497SS..PPolyproline II helixtrans-66.2143.6-166.122.2-31.9000113.1Y357 T380 V384Y357-P382 HydrophobicContact CE1-CB 3.81Å; Y357-P382 WeakPolarHBondContact OH-CA 3.48Å; T380-P382 WeakPolarHBondContact O-CD 3.41Å; P382-V384 VanDerWaalsContact C-N 3.34Å; P382-V384 PolarHBondContact O-N 2.95Å
383H71.4Confident60.5Low67 Ų6790.1 Ų90.131%0.3148%0.483SS..  trans-74.890.3167.8-55.8-45.8000109.2H305 L306 M324 Y357H305-H383 PolarHBondContact O-CE1 3.45Å; H305-H383 PolarHBondContact O-ND1 3.43Å; L306-H383 HydrophobicContact CD2-CB 4.34Å; M324-H383 PolarHBondContact N-O 2.77Å; Y357-H383 PolarHBondContact OH-N 3.4Å; Y357-H383 VanDerWaalsContact OH-N 3.15Å
384V79.3Confident62.4Low75 Ų7589 Ų8946%0.45547%0.47SS..BIsolated β-bridgetrans-60.8139.8174.9-179.10000109.3P382 V386P382-V384 VanDerWaalsContact C-N 3.34Å; P382-V384 PolarHBondContact O-N 2.95Å; V384-V386 PolarHBondContact O-N 3Å; V384-V386 VanDerWaalsContact O-N 3.12Å
385S81.2Confident64.8Low0 Ų089.2 Ų89.20%047%0.468CS..  trans-54.8120174.8177.40000111D319 F321 A322 F387 Q388D319-S385 WeakPolarHBondContact OD1-CB 3.38Å; D319-S385 PolarHBondContact OD1-OG 3.34Å; D319-S385 PolarHBondContact OD2-OG 3.29Å; F321-S385 VanDerWaalsContact C-CB 3.46Å; F321-S385 WeakPolarHBondContact O-CB 3.49Å; A322-S385 PolarHBondContact O-N 2.84Å; S385-F387 VanDerWaalsContact C-N 3.31Å; S385-F387 PolarHBondContact OG-N 3.47Å; S385-Q388 PolarHBondContact OG-N 3.34Å
386V81.9Confident67.2Low18 Ų1885.7 Ų85.711%0.10945%0.445CS..SBendtrans-74.7-30.2171-171.60000110.5P302 H305 V384 Q388 H389P302-V386 HydrophobicContact CB-CB 4.43Å; P302-V386 HydrophobicContact CB-CG2 4.45Å; P302-V386 HydrophobicContact CG-CB 4.1Å; P302-V386 HydrophobicContact CG-CG1 4.04Å; P302-V386 HydrophobicContact CG-CG2 4.5Å; H305-V386 HydrophobicContact CB-CG2 4.15Å; H305-V386 WeakPolarHBondContact ND1-CG2 3.47Å; V384-V386 PolarHBondContact O-N 3Å; V384-V386 VanDerWaalsContact O-N 3.12Å; V386-Q388 PolarHBondContact O-N 3.46Å; V386-H389 WeakPolarHBondContact O-CB 3.12Å; V386-H389 PolarHBondContact O-N 3.13Å; V386-H389 PolarHBondContact O-ND1 2.93Å; V386-H389 VanDerWaalsContact O-ND1 3.14Å
387F82.5Confident69.8Low1 Ų177 Ų770%0.00441%0.405CS..G310 helixtrans-67-19.3-178.9-68.2-89.8000112.6I243 L258 L260 F262 F299 P302 D319 F321 M324 S385 H389 L390I243-F387 HydrophobicContact CD1-CD1 3.65Å; I243-F387 HydrophobicContact CD1-CE1 3.66Å; I243-F387 HydrophobicContact CG1-CE1 4.38Å; I243-F387 HydrophobicContact CG2-CE1 4.35Å; L258-F387 HydrophobicContact CD1-CB 4.43Å; L258-F387 HydrophobicContact CD1-CD1 4.33Å; L258-F387 HydrophobicContact CD1-CG 4.34Å; L260-F387 HydrophobicContact CD2-CD2 4.45Å; L260-F387 HydrophobicContact CD2-CE1 3.93Å; L260-F387 HydrophobicContact CD2-CE2 3.72Å; L260-F387 HydrophobicContact CD2-CZ 3.43Å; L260-F387 VanDerWaalsContact CD2-CZ 3.43Å; F262-F387 HydrophobicContact CE1-CZ 4.34Å; F262-F387 AromaticContact CZ-CE2 3.92Å; F262-F387 HydrophobicContact CZ-CE2 3.92Å; F262-F387 AromaticContact CZ-CZ 3.88Å; F262-F387 HydrophobicContact CZ-CZ 3.88Å; F299-F387 HydrophobicContact CD1-CE1 4.05Å; F299-F387 HydrophobicContact CD1-CZ 4.18Å; F299-F387 AromaticContact CE1-CE1 3.97Å; F299-F387 HydrophobicContact CE1-CE1 3.97Å; P302-F387 HydrophobicContact CB-CE2 4.17Å; P302-F387 HydrophobicContact CG-CE2 4.35Å; P302-F387 HydrophobicContact CG-CZ 4.41Å; D319-F387 WeakPolarHBondContact OD2-CD2 3.44Å; F321-F387 HydrophobicContact CD1-CB 4.45Å; F321-F387 HydrophobicContact CE1-CB 4.15Å; M324-F387 HydrophobicContact CE-CD2 4.15Å; M324-F387 HydrophobicContact CE-CE2 3.85Å; M324-F387 HydrophobicContact SD-CD2 4.47Å; S385-F387 VanDerWaalsContact C-N 3.31Å; S385-F387 PolarHBondContact OG-N 3.47Å; F387-H389 PolarHBondContact O-N 2.8Å; F387-L390 HydrophobicContact CD1-CD1 3.65Å; F387-L390 HydrophobicContact CE1-CD1 4.18Å; F387-L390 HydrophobicContact CG-CD1 4.47Å; F387-L390 WeakPolarHBondContact O-CB 3.32Å; F387-L390 PolarHBondContact O-N 3.01Å
388Q78.2Confident72.1Confident99 Ų9974.3 Ų74.346%0.46338%0.384SS..G310 helixtrans-55.6-34.5169.1-169.7-178.216.300112.4S385 V386 L390 S391S385-Q388 PolarHBondContact OG-N 3.34Å; V386-Q388 PolarHBondContact O-N 3.46Å; Q388-L390 PolarHBondContact O-N 2.57Å; Q388-S391 VanDerWaalsContact O-CB 3.27Å; Q388-S391 WeakPolarHBondContact O-CB 3.45Å; Q388-S391 PolarHBondContact O-N 2.93Å; Q388-S391 VanDerWaalsContact O-N 3.17Å; Q388-S391 PolarHBondContact O-OG 3.15Å
389H79.8Confident74.3Confident148 Ų14870 Ų7069%0.68536%0.357SS*.G310 helixtrans-72.1-12.3177.4-57.793000113.5V386 F387 S391V386-H389 WeakPolarHBondContact O-CB 3.12Å; V386-H389 PolarHBondContact O-N 3.13Å; V386-H389 PolarHBondContact O-ND1 2.93Å; V386-H389 VanDerWaalsContact O-ND1 3.14Å; F387-H389 PolarHBondContact O-N 2.8Å; H389-S391 VanDerWaalsContact C-N 3.34Å
390L79.9Confident76.5Confident44 Ų4462.2 Ų62.223%0.2333%0.325CS..G310 helixtrans-90-2.8174.9-54.6179.3000112.2F245 A248 E249 T252 F299 F387 Q388F245-L390 HydrophobicContact CD1-CD2 4.37Å; A248-L390 HydrophobicContact CB-CB 3.78Å; A248-L390 HydrophobicContact CB-CD1 3.51Å; A248-L390 HydrophobicContact CB-CG 4.18Å; E249-L390 WeakPolarHBondContact CA-O 3.16Å; E249-L390 WeakPolarHBondContact CB-O 3.14Å; E249-L390 PolarHBondContact N-O 3.37Å; T252-L390 PolarHBondContact OG1-O 3.23Å; F299-L390 HydrophobicContact CE1-CD1 4.22Å; F387-L390 HydrophobicContact CD1-CD1 3.65Å; F387-L390 HydrophobicContact CE1-CD1 4.18Å; F387-L390 HydrophobicContact CG-CD1 4.47Å; F387-L390 WeakPolarHBondContact O-CB 3.32Å; F387-L390 PolarHBondContact O-N 3.01Å; Q388-L390 PolarHBondContact O-N 2.57Å
391S80.6Confident77.7Confident50 Ų5064 Ų6435%0.3533%0.328SS..SBendtrans-65.6162.2173.168.20000112.1T252 Q388 H389 S393T252-S391 WeakPolarHBondContact OG1-CA 2.91Å; Q388-S391 VanDerWaalsContact O-CB 3.27Å; Q388-S391 WeakPolarHBondContact O-CB 3.45Å; Q388-S391 PolarHBondContact O-N 2.93Å; Q388-S391 VanDerWaalsContact O-N 3.17Å; Q388-S391 PolarHBondContact O-OG 3.15Å; H389-S391 VanDerWaalsContact C-N 3.34Å; S391-S393 PolarHBondContact O-N 2.77Å
392P79.7Confident77.8Confident15 Ų1562.5 Ų62.510%0.09732%0.315CS..PPolyproline II helixtrans-50.4117.9178.2-27.833.6000112.5K98 E249 E253 R394 Y397K98-P392 HydrophobicContact CD-CB 4.07Å; K98-P392 HydrophobicContact CD-CG 4.41Å; E249-P392 HydrophobicContact CG-CB 4.26Å; E249-P392 HydrophobicContact CG-CG 3.84Å; E253-P392 HydrophobicContact CB-CG 4.15Å; E253-P392 HydrophobicContact CG-CG 4.22Å; P392-R394 PolarHBondContact O-N 3.07Å; P392-Y397 HydrophobicContact CB-CD2 3.85Å; P392-Y397 HydrophobicContact CB-CE2 3.99Å
393S81.6Confident77.1Confident54 Ų5464.8 Ų64.838%0.37832%0.321SS..PPolyproline II helixtrans-67.3130.8-175.1176.80000112.1S391 M395 R396 Y397S391-S393 PolarHBondContact O-N 2.77Å; S393-M395 PolarHBondContact O-N 3.27Å; S393-M395 VanDerWaalsContact O-N 3.16Å; S393-M395 WeakPolarHBondContact OG-CB 3.23Å; S393-M395 PolarHBondContact OG-N 3.03Å; S393-M395 VanDerWaalsContact OG-N 3.1Å; S393-R396 PolarHBondContact O-N 3.32Å; S393-Y397 WeakPolarHBondContact O-CD2 3.49Å; S393-Y397 PolarHBondContact O-N 2.89Å
394R80.7Confident75.5Confident170 Ų17073.3 Ų73.364%0.64236%0.357SS*.THydrogen-bonded Turntrans-63.4-14.4170.6-69-176.9172171.1-2.3113.5Y53 P392 R396 I399 D402Y53-R394 PolarHBondContact OH-O 3.31Å; P392-R394 PolarHBondContact O-N 3.07Å; R394-R396 PolarHBondContact O-N 3.36Å; R394-I399 HydrophobicContact CG-CD1 4.3Å; R394-D402 IonicContact CZ-OD2 2.89Å; R394-D402 IonicContact NE-OD2 3.81Å; R394-D402 PolarHBondContact NE-OD2 3.24Å; R394-D402 IonicContact NH2-OD1 2.85Å; R394-D402 IonicContact NH2-OD2 2.77Å; R394-D402 PolarHBondContact NH2-OD2 2.9Å
395M83.2Confident75.3Confident160 Ų16073.2 Ų73.279%0.78835%0.352SS*.THydrogen-bonded Turntrans-80-5.1172.6-60.5-176.168.100113.1Y53 S393Y53-M395 WeakPolarHBondContact CE1-O 3.22Å; Y53-M395 VanDerWaalsContact CZ-C 3.46Å; Y53-M395 WeakPolarHBondContact OH-CA 3.46Å; Y53-M395 PolarHBondContact OH-O 2.74Å; S393-M395 PolarHBondContact O-N 3.27Å; S393-M395 VanDerWaalsContact O-N 3.16Å; S393-M395 WeakPolarHBondContact OG-CB 3.23Å; S393-M395 PolarHBondContact OG-N 3.03Å; S393-M395 VanDerWaalsContact OG-N 3.1Å
396R84.9Confident74.9Confident50 Ų5077.1 Ų77.119%0.18937%0.371CS..THydrogen-bonded Turntrans-125.6-27.9-174.3-177.3177.4177.9176.510.2112.7R116 D117 R119 S393 R394R116-R396 VanDerWaalsContact O-CZ 3.31Å; R116-R396 PolarHBondContact O-NH1 3.49Å; R116-R396 PolarHBondContact O-NH2 3.16Å; D117-R396 PolarHBondContact O-NH2 3.01Å; R119-R396 PolarHBondContact NH1-O 3.1Å; R119-R396 PolarHBondContact NH2-O 3.03Å; S393-R396 PolarHBondContact O-N 3.32Å; R394-R396 PolarHBondContact O-N 3.36Å
397Y86.6Confident74.6Confident5 Ų580.3 Ų80.32%0.0239%0.386CS..  trans-133.2148.9-176-50.7-84.6000111.4K98 Y99 P100 E249 P392 S393K98-Y397 HydrophobicContact CD-CD1 3.69Å; K98-Y397 HydrophobicContact CD-CD2 4.12Å; K98-Y397 HydrophobicContact CD-CE1 4.04Å; K98-Y397 HydrophobicContact CD-CE2 4.44Å; K98-Y397 HydrophobicContact CD-CG 3.73Å; K98-Y397 HydrophobicContact CG-CD1 3.87Å; K98-Y397 HydrophobicContact CG-CE1 4.46Å; K98-Y397 HydrophobicContact CG-CG 4.16Å; Y99-Y397 CarbonylContact O-C 3.46Å; Y99-Y397 VanDerWaalsContact O-CA 3.28Å; Y99-Y397 WeakPolarHBondContact O-CA 3.2Å; P100-Y397 VanDerWaalsContact O-CD1 3.32Å; P100-Y397 WeakPolarHBondContact O-CD1 3.49Å; P100-Y397 WeakPolarHBondContact O-CE1 3.47Å; E249-Y397 WeakPolarHBondContact OE1-CE2 3.34Å; E249-Y397 PolarHBondContact OE1-OH 2.76Å; P392-Y397 HydrophobicContact CB-CD2 3.85Å; P392-Y397 HydrophobicContact CB-CE2 3.99Å; S393-Y397 WeakPolarHBondContact O-CD2 3.49Å; S393-Y397 PolarHBondContact O-N 2.89Å
398T87.6Confident74.1Confident27 Ų2785 Ų8517%0.16641%0.408CS..EExtended strand (participates in β ladder)trans-90.8127.3157.1-52.40000109.2W50 C51 K98 Y99 E403W50-T398 HydrophobicContact CH2-CG2 3.83Å; W50-T398 HydrophobicContact CZ3-CG2 3.73Å; C51-T398 PolarHBondContact SG-OG1 2.93Å; K98-T398 CarbonylContact C-O 3.52Å; K98-T398 WeakPolarHBondContact CA-O 3.49Å; K98-T398 WeakPolarHBondContact CB-O 3.46Å; Y99-T398 PolarHBondContact N-O 3.01Å; Y99-T398 PolarHBondContact O-N 3Å; T398-E403 WeakPolarHBondContact CG2-OE1 3.28Å
399I84.1Confident73.8Confident31 Ų3184.1 Ų84.116%0.15941%0.405CS..EExtended strand (participates in β ladder)trans-96127.3-178.1-58.4174.4000109.2R394 H401 D402R394-I399 HydrophobicContact CG-CD1 4.3Å; I399-H401 VanDerWaalsContact C-N 3.29Å; I399-H401 PolarHBondContact O-N 3.19Å; I399-D402 PolarHBondContact O-N 2.91Å
400I79Confident73.4Confident42 Ų4279.9 Ų79.922%0.21539%0.386CS..G310 helixtrans-66.6-26-170-63.1174.3000113.3I96 R97 Y99I96-I400 WeakPolarHBondContact O-CD1 3.47Å; R97-I400 VanDerWaalsContact C-CD1 3.46Å; R97-I400 WeakPolarHBondContact O-CB 3.33Å; R97-I400 VanDerWaalsContact O-CG1 3.32Å; R97-I400 WeakPolarHBondContact O-CG1 3.01Å; R97-I400 PolarHBondContact O-N 2.73Å; Y99-I400 HydrophobicContact CD2-CD1 4.37Å; Y99-I400 HydrophobicContact CD2-CG1 4.18Å; Y99-I400 HydrophobicContact CE1-CD1 4.17Å; Y99-I400 HydrophobicContact CE2-CD1 3.6Å; Y99-I400 HydrophobicContact CE2-CG1 3.69Å; Y99-I400 VanDerWaalsContact CZ-CD1 3.47Å; Y99-I400 WeakPolarHBondContact OH-CD1 3.13Å
401H64.9Low73Confident113 Ų11382.4 Ų82.452%0.52340%0.397SS..G310 helixtrans-92.95.6-177.4-68.3-54.4000115.1I399I399-H401 VanDerWaalsContact C-N 3.29Å; I399-H401 PolarHBondContact O-N 3.19Å
402D50.3Low72.4Confident89 Ų8984.9 Ų84.948%0.47640%0.401SS..G310 helixtrans-97.66.1172.7-71.6-16.2000112.2R394 I399R394-D402 IonicContact CZ-OD2 2.89Å; R394-D402 IonicContact NE-OD2 3.81Å; R394-D402 PolarHBondContact NE-OD2 3.24Å; R394-D402 IonicContact NH2-OD1 2.85Å; R394-D402 IonicContact NH2-OD2 2.77Å; R394-D402 PolarHBondContact NH2-OD2 2.9Å; I399-D402 PolarHBondContact O-N 2.91Å
403E41.7Very low71.8Confident102 Ų10290.8 Ų90.848%0.47743%0.426SS..  trans-112.33.1-177.3-68.5-176.5178.800115.1W50 T398W50-E403 WeakPolarHBondContact CH2-OE2 3.12Å; W50-E403 WeakPolarHBondContact CZ3-OE1 3.1Å; T398-E403 WeakPolarHBondContact CG2-OE1 3.28Å
404F37Very low70.9Confident246 Ų24694.1 Ų94.1100%1.07943%0.43SS*.  trans-143.30171.2-57.8-78.7000109.9

Retrieved 404 of 404 residues in 386.3 ms (Link to these results)

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