G4VQZ5_SCHMA Loading...

L-lactate dehydrogenase

AlphaFold DB , UniProt , Accession G4VQZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M64.2Low86.3Confident247 Ų247120.1 Ų120.1100%1.21767%0.672SS**  0127.50-75-176.8-112.300107.1
2S78.7Confident86.7Confident85 Ų85122 Ų12259%0.59469%0.688SS**  trans-59.2142.4171.153.70000109
3S88.3Confident86.7Confident51 Ų51117.5 Ų117.536%0.35768%0.676SS.*  trans-62.7160.2174.870.90000110.2C5 D6 A7S3-C5 PolarHBondContact O-N 3.2Å; S3-C5 PolarHBondContact OG-N 3.14Å; S3-D6 WeakPolarHBondContact CB-OD2 3.36Å; S3-D6 PolarHBondContact N-OD2 3.26Å; S3-D6 PolarHBondContact O-N 3.05Å; S3-D6 VanDerWaalsContact O-N 3.08Å; S3-D6 PolarHBondContact OG-N 3.08Å; S3-D6 PolarHBondContact OG-OD2 3.43Å; S3-A7 PolarHBondContact O-N 3.22Å
4I90.7Very high86.7Confident147 Ų147114.4 Ų114.475%0.75466%0.661SS**Hα-helixtrans-54.3-37.7171.4-67.3173000109.8A7 L8I4-A7 PolarHBondContact O-N 2.79Å; I4-L8 WeakPolarHBondContact O-CB 3.42Å; I4-L8 PolarHBondContact O-N 3.45Å
5C88.4Confident86.3Confident82 Ų82116.3 Ų116.355%0.55468%0.676SS**Hα-helixtrans-60.5-47.5175.7-63.70000112S3 A7 L8 L9S3-C5 PolarHBondContact O-N 3.2Å; S3-C5 PolarHBondContact OG-N 3.14Å; C5-A7 VanDerWaalsContact C-N 3.3Å; C5-A7 PolarHBondContact O-N 3.41Å; C5-L8 PolarHBondContact O-N 2.66Å; C5-L9 WeakPolarHBondContact O-CB 2.95Å; C5-L9 PolarHBondContact O-N 3.02Å
6D87.7Confident86.2Confident102 Ų102117.1 Ų117.155%0.54568%0.677SS.*Hα-helixtrans-67.7-31.8179.7-55.6-42.3000112.3S3S3-D6 WeakPolarHBondContact CB-OD2 3.36Å; S3-D6 PolarHBondContact N-OD2 3.26Å; S3-D6 PolarHBondContact O-N 3.05Å; S3-D6 VanDerWaalsContact O-N 3.08Å; S3-D6 PolarHBondContact OG-N 3.08Å; S3-D6 PolarHBondContact OG-OD2 3.43Å
7A91.6Very high85.8Confident66 Ų66116.4 Ų116.455%0.54567%0.669SS.*Hα-helixtrans-72.8-34.6175.600000112.2S3 I4 C5S3-A7 PolarHBondContact O-N 3.22Å; I4-A7 PolarHBondContact O-N 2.79Å; C5-A7 VanDerWaalsContact C-N 3.3Å; C5-A7 PolarHBondContact O-N 3.41Å
8L94.1Very high85Confident133 Ų133119.7 Ų119.770%0.69668%0.677SS**Hα-helixtrans-86.3-40.5-176.9-177.863.3000113.1I4 C5I4-L8 WeakPolarHBondContact O-CB 3.42Å; I4-L8 PolarHBondContact O-N 3.45Å; C5-L8 PolarHBondContact O-N 2.66Å
9L91.3Very high84.3Confident119 Ų119119.3 Ų119.362%0.62368%0.68SS**  trans-115.3107.3-171.9-59.3176.7000109.9C5C5-L9 WeakPolarHBondContact O-CB 2.95Å; C5-L9 PolarHBondContact O-N 3.02Å
10K88.7Confident83.6Confident175 Ų175125.4 Ų125.476%0.76169%0.691SS**  trans-92.3113174.3-64-175.6-179.7-1790109.1V12K10-V12 PolarHBondContact O-N 3.23Å
11P85.8Confident83.1Confident114 Ų114124.7 Ų124.774%0.7470%0.695SS**  trans-64.7133.4-179.827.3-33.6000110.1
12V90.4Very high83.9Confident143 Ų143116.5 Ų116.587%0.86765%0.651SS**  trans-110.8-36173.1-179.70000110.6K10K10-V12 PolarHBondContact O-N 3.23Å
13A87.2Confident84.7Confident64 Ų64114.4 Ų114.453%0.52964%0.636SS.*SBendtrans-74.3140.1172.600000110.2
14P86.3Confident85.1Confident73 Ų73113 Ų11347%0.47462%0.624SS.*  trans-53.1143166.7-24.732.7000111.8D16 I17P14-D16 WeakPolarHBondContact CB-OD1 3.18Å; P14-D16 PolarHBondContact O-N 2.97Å; P14-I17 HydrophobicContact CB-CD1 4.4Å; P14-I17 HydrophobicContact CB-CG1 4.18Å; P14-I17 HydrophobicContact CG-CD1 4.07Å; P14-I17 HydrophobicContact CG-CG1 4.38Å; P14-I17 PolarHBondContact O-N 3.36Å; P14-I17 VanDerWaalsContact O-N 3.14Å
15T80.9Confident85.5Confident144 Ų144106 Ų10688%0.88359%0.588SS**THydrogen-bonded Turntrans-67.7-16.4-175.248.20000114
16D84.6Confident86Confident129 Ų129102.1 Ų102.169%0.6956%0.561SS**THydrogen-bonded Turntrans-85.4-9.5176.759-52.2000113.4P14 E18P14-D16 WeakPolarHBondContact CB-OD1 3.18Å; P14-D16 PolarHBondContact O-N 2.97Å; D16-E18 PolarHBondContact O-N 2.91Å
17I79.9Confident86.5Confident105 Ų10597.2 Ų97.254%0.53854%0.535SS..  trans-78.5103.8172.9-59.5-172.8000109.2P14P14-I17 HydrophobicContact CB-CD1 4.4Å; P14-I17 HydrophobicContact CB-CG1 4.18Å; P14-I17 HydrophobicContact CG-CD1 4.07Å; P14-I17 HydrophobicContact CG-CG1 4.38Å; P14-I17 PolarHBondContact O-N 3.36Å; P14-I17 VanDerWaalsContact O-N 3.14Å
18E70.7Confident86.8Confident175 Ų17594.3 Ų94.382%0.81851%0.51SS*.PPolyproline II helixtrans-70.5135.6168.2-69.7-141.4165.800111D16D16-E18 PolarHBondContact O-N 2.91Å
19P72.7Confident87.1Confident112 Ų11288.1 Ų88.173%0.72748%0.479SS*.PPolyproline II helixtrans-60.7149.717426.6-33.3000110.3S21P19-S21 PolarHBondContact O-N 3.3Å
20R70.1Confident87.4Confident242 Ų24282.7 Ų82.791%0.91345%0.451SS*.PPolyproline II helixtrans-48.4132.3179.4-156.5180-164.5177.74110.8R22R20-R22 PolarHBondContact O-N 3.31Å
21S71.8Confident87.8Confident111 Ų11176.3 Ų76.378%0.77643%0.434SS*.PPolyproline II helixtrans-52.2131177.5-171.60000110.1P19P19-S21 PolarHBondContact O-N 3.3Å
22R82.1Confident88.4Confident75 Ų7575.3 Ų75.328%0.28342%0.421SS..PPolyproline II helixtrans-81.8146.8175.6-60.5-166.5-175-165.53109R20 K24 G46 E47 R74R20-R22 PolarHBondContact O-N 3.31Å; R22-K24 PolarHBondContact O-N 3.36Å; R22-K24 VanDerWaalsContact O-N 3.11Å; R22-G46 WeakPolarHBondContact CD-O 3.46Å; R22-G46 PolarHBondContact NH1-O 3.22Å; R22-E47 HydrophobicContact CB-CB 4.24Å; R22-R74 VanDerWaalsContact NH2-NE 3.16Å
23S95Very high88.7Confident40 Ų4070.1 Ų70.128%0.2839%0.39SS..  trans-61.7114168.146.60000109G46 E47 D90S23-G46 PolarHBondContact O-N 3.32Å; S23-G46 PolarHBondContact OG-N 3.12Å; S23-E47 PolarHBondContact O-N 3.36Å; S23-D90 VanDerWaalsContact CA-OD2 3.27Å; S23-D90 WeakPolarHBondContact CA-OD2 3.38Å
24K97.4Very high89.3Confident22 Ų2267.1 Ų67.110%0.09637%0.365CS..EExtended strand (participates in β ladder)trans-106.2120.9-171.9-177.8171.5179.5159.60111.1R22 E47 Y85 A87 D90 I91R22-K24 PolarHBondContact O-N 3.36Å; R22-K24 VanDerWaalsContact O-N 3.11Å; K24-E47 WeakPolarHBondContact CA-O 3.37Å; K24-E47 HydrophobicContact CB-CB 4.18Å; K24-E47 HydrophobicContact CD-CG 4.26Å; K24-E47 WeakPolarHBondContact CD-OE1 3.48Å; K24-E47 WeakPolarHBondContact CE-OE1 3.24Å; K24-E47 HydrophobicContact CG-CB 4.12Å; K24-E47 HydrophobicContact CG-CG 4.07Å; K24-E47 IonicContact NZ-OE1 2.7Å; K24-E47 PolarHBondContact NZ-OE1 2.61Å; K24-Y85 WeakPolarHBondContact CE-O 3.48Å; K24-Y85 PolarHBondContact NZ-O 3.17Å; K24-A87 WeakPolarHBondContact CD-O 3.34Å; K24-A87 VanDerWaalsContact CE-O 3.27Å; K24-A87 WeakPolarHBondContact CE-O 3.35Å; K24-A87 PolarHBondContact NZ-O 2.89Å; K24-D90 PolarHBondContact N-OD2 2.93Å; K24-D90 PolarHBondContact O-N 2.8Å; K24-I91 PolarHBondContact O-N 2.98Å
25V98.5Very high89.8Confident0 Ų064.8 Ų64.80%035%0.348CS..EExtended strand (participates in β ladder)trans-115.6125.5175.6-178.70000109.1A45 E47 L48 V49 I91 V93 L264V25-A45 HydrophobicContact CB-CB 4.14Å; V25-A45 HydrophobicContact CG2-CB 3.7Å; V25-E47 PolarHBondContact N-O 3.03Å; V25-L48 CarbonylContact O-C 3.48Å; V25-L48 WeakPolarHBondContact O-CA 3.15Å; V25-V49 PolarHBondContact O-N 3.06Å; V25-I91 WeakPolarHBondContact CA-O 3.31Å; V25-I91 HydrophobicContact CG2-CB 4.32Å; V25-V93 HydrophobicContact CG1-CG2 4.11Å; V25-L264 HydrophobicContact CG2-CD1 3.94Å
26T98.8Very high90.7Very high0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-101.6132.4169.4-66.20000109.9I28 V49 I51 S86 S89 I91 V92 V93T26-I28 HydrophobicContact CG2-CG1 4.1Å; T26-V49 CarbonylContact C-O 3.6Å; T26-V49 VanDerWaalsContact CA-O 3.31Å; T26-V49 WeakPolarHBondContact CA-O 3.4Å; T26-V49 HydrophobicContact CG2-CB 4.35Å; T26-V49 HydrophobicContact CG2-CG1 4.16Å; T26-I51 HydrophobicContact CG2-CG1 3.82Å; T26-S86 WeakPolarHBondContact OG1-CA 3.37Å; T26-S86 WeakPolarHBondContact OG1-CB 3.31Å; T26-S89 PolarHBondContact OG1-OG 2.79Å; T26-I91 PolarHBondContact N-O 3.2Å; T26-V92 HydrophobicContact CG2-CG1 4.37Å; T26-V92 CarbonylContact O-C 3.59Å; T26-V92 WeakPolarHBondContact O-CA 3.39Å; T26-V93 PolarHBondContact O-N 3.26Å
27V98.9Very high91.4Very high0 Ų051.9 Ų51.90%027%0.274CS..EExtended strand (participates in β ladder)trans-108.7125.5170.2-177.50000109.1A38 L48 V49 L50 I51 V93 T95V27-A38 HydrophobicContact CG2-CB 4.25Å; V27-L48 HydrophobicContact CG2-CD1 3.93Å; V27-V49 PolarHBondContact N-O 2.92Å; V27-L50 HydrophobicContact CB-CD2 4.02Å; V27-I51 PolarHBondContact O-N 3.23Å; V27-V93 WeakPolarHBondContact CA-O 3.49Å; V27-V93 HydrophobicContact CG2-CB 4.34Å; V27-T95 HydrophobicContact CG1-CG2 4.19Å
28I98.8Very high92.2Very high4 Ų446.9 Ų46.92%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-103.8121.6178.7-59172.8000108.8T26 I51 Y83 V92 V93 I94 T95 A96 I120 I124T26-I28 HydrophobicContact CG2-CG1 4.1Å; I28-I51 WeakPolarHBondContact CA-O 3.49Å; I28-I51 HydrophobicContact CG1-CB 4.26Å; I28-Y83 HydrophobicContact CD1-CE1 3.95Å; I28-V92 HydrophobicContact CD1-CG1 3.44Å; I28-V92 VanDerWaalsContact CD1-CG1 3.44Å; I28-V92 HydrophobicContact CG1-CG1 4.02Å; I28-V93 PolarHBondContact N-O 3.04Å; I28-I94 HydrophobicContact CD1-CG1 4.37Å; I28-T95 CarbonylContact O-C 3.58Å; I28-T95 WeakPolarHBondContact O-CA 3.45Å; I28-T95 PolarHBondContact O-N 3.16Å; I28-T95 PolarHBondContact O-OG1 2.97Å; I28-A96 HydrophobicContact CG2-CB 4.03Å; I28-A96 PolarHBondContact O-N 2.77Å; I28-I120 HydrophobicContact CD1-CG2 3.77Å; I28-I120 HydrophobicContact CG2-CD1 4.08Å; I28-I120 HydrophobicContact CG2-CG2 4.11Å; I28-I124 HydrophobicContact CD1-CD1 3.37Å; I28-I124 HydrophobicContact CD1-CG1 3.57Å
29G98.4Very high93.5Very high4 Ų443.8 Ų43.84%0.04123%0.232CC..  trans94123.1-168.800000111.1G34 I51 D52 T95G29-G34 VanDerWaalsContact O-CA 3.29Å; G29-G34 WeakPolarHBondContact O-CA 3.5Å; G29-I51 PolarHBondContact N-O 2.81Å; G29-D52 VanDerWaalsContact CA-OD2 3.31Å; G29-D52 WeakPolarHBondContact CA-OD2 3.28Å; G29-T95 PolarHBondContact O-OG1 3.34Å
30V98.5Very high94.7Very high4 Ų438.9 Ų38.92%0.02420%0.2CC..  trans-108.130174.9-58.80000112.2M35 L50 D52 K57 V58 E61V30-M35 HydrophobicContact CB-CG 4.34Å; V30-M35 HydrophobicContact CB-SD 3.84Å; V30-M35 HydrophobicContact CG1-SD 4.13Å; V30-M35 WeakPolarHBondContact O-CG 3.34Å; V30-L50 HydrophobicContact CG1-CB 3.89Å; V30-L50 HydrophobicContact CG1-CD1 4.15Å; V30-L50 HydrophobicContact CG1-CG 4.45Å; V30-D52 HydrophobicContact CB-CB 4.39Å; V30-D52 HydrophobicContact CG1-CB 4.17Å; V30-D52 HydrophobicContact CG2-CB 3.65Å; V30-D52 PolarHBondContact N-OD2 2.94Å; V30-K57 HydrophobicContact CG2-CB 4.45Å; V30-K57 HydrophobicContact CG2-CG 3.72Å; V30-V58 HydrophobicContact CG1-CB 4.42Å; V30-V58 HydrophobicContact CG1-CG2 4.16Å; V30-V58 HydrophobicContact CG2-CB 4.34Å; V30-E61 HydrophobicContact CB-CG 4.3Å; V30-E61 HydrophobicContact CG2-CG 4.4Å
31G97.4Very high95.9Very high41 Ų4127.3 Ų27.342%0.42316%0.157SC..SBendtrans-71.1-175.1167.200000112.1V33 G34 M35G31-V33 VanDerWaalsContact C-N 3.29Å; G31-V33 PolarHBondContact O-N 3.01Å; G31-G34 PolarHBondContact O-N 3.45Å; G31-G34 VanDerWaalsContact O-N 3.08Å; G31-M35 PolarHBondContact O-N 3.29Å
32M97.5Very high96.9Very high93 Ų9322.4 Ų22.446%0.45812%0.122SC..Hα-helixtrans-56.4-39.3-176.6-60.2-62.1162.400113.9A36 Y247 S249M32-A36 WeakPolarHBondContact O-CB 3.47Å; M32-A36 PolarHBondContact O-N 3.45Å; M32-Y247 HydrophobicContact CB-CD2 3.49Å; M32-Y247 VanDerWaalsContact CB-CD2 3.49Å; M32-Y247 HydrophobicContact CB-CE2 3.78Å; M32-Y247 HydrophobicContact CB-CG 4.11Å; M32-Y247 HydrophobicContact CG-CD1 4.18Å; M32-Y247 HydrophobicContact CG-CD2 3.6Å; M32-Y247 HydrophobicContact CG-CE1 4.29Å; M32-Y247 HydrophobicContact CG-CE2 3.7Å; M32-Y247 HydrophobicContact CG-CG 3.86Å; M32-Y247 HydrophobicContact SD-CD2 4.4Å; M32-Y247 HydrophobicContact SD-CE1 4.37Å; M32-Y247 HydrophobicContact SD-CE2 3.88Å; M32-S249 WeakPolarHBondContact O-CB 3.44Å
33V98Very high97.4Very high35 Ų3524 Ų2421%0.21213%0.132CC..Hα-helixtrans-70.3-46.7175.81750000110.8G31 M35 A36 A37 T95 V136 T248 I252G31-V33 VanDerWaalsContact C-N 3.29Å; G31-V33 PolarHBondContact O-N 3.01Å; V33-M35 PolarHBondContact O-N 3.42Å; V33-A36 PolarHBondContact O-N 3.21Å; V33-A37 WeakPolarHBondContact O-CB 3.27Å; V33-A37 PolarHBondContact O-N 3.08Å; V33-T95 HydrophobicContact CG1-CG2 4.03Å; V33-V136 HydrophobicContact CG1-CG1 3.79Å; V33-T248 WeakPolarHBondContact CG2-O 3.49Å; V33-I252 HydrophobicContact CB-CG2 4.44Å; V33-I252 HydrophobicContact CG1-CG1 4.22Å; V33-I252 HydrophobicContact CG1-CG2 3.87Å; V33-I252 HydrophobicContact CG2-CG2 4.09Å
34G98.5Very high97.4Very high0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-56.9-48.5178.200000112.9G29 G31 A37 A38 T95G29-G34 VanDerWaalsContact O-CA 3.29Å; G29-G34 WeakPolarHBondContact O-CA 3.5Å; G31-G34 PolarHBondContact O-N 3.45Å; G31-G34 VanDerWaalsContact O-N 3.08Å; G34-A37 PolarHBondContact O-N 3.21Å; G34-A38 VanDerWaalsContact O-CB 3.29Å; G34-A38 WeakPolarHBondContact O-CB 3.43Å; G34-A38 PolarHBondContact O-N 3.35Å; G34-T95 VanDerWaalsContact CA-OG1 3.3Å; G34-T95 WeakPolarHBondContact CA-OG1 3.27Å
35M98.6Very high97.3Very high24 Ų2422.6 Ų22.612%0.11813%0.125CC..Hα-helixtrans-68.8-37178.5-67.8-50-55.800113V30 G31 V33 A37 A38 F39 L50 E61 L65V30-M35 HydrophobicContact CB-CG 4.34Å; V30-M35 HydrophobicContact CB-SD 3.84Å; V30-M35 HydrophobicContact CG1-SD 4.13Å; V30-M35 WeakPolarHBondContact O-CG 3.34Å; G31-M35 PolarHBondContact O-N 3.29Å; V33-M35 PolarHBondContact O-N 3.42Å; M35-A37 VanDerWaalsContact C-N 3.34Å; M35-A38 PolarHBondContact O-N 3.05Å; M35-F39 WeakPolarHBondContact O-CB 3.3Å; M35-F39 PolarHBondContact O-N 2.84Å; M35-L50 HydrophobicContact CE-CD1 4.26Å; M35-L50 HydrophobicContact SD-CD1 4.02Å; M35-E61 HydrophobicContact CE-CB 3.84Å; M35-E61 HydrophobicContact CE-CG 4.12Å; M35-E61 WeakPolarHBondContact CE-OE2 3.27Å; M35-E61 HydrophobicContact CG-CG 4.23Å; M35-E61 HydrophobicContact SD-CB 3.73Å; M35-E61 HydrophobicContact SD-CG 3.69Å; M35-L65 HydrophobicContact CE-CD1 3.87Å; M35-L65 HydrophobicContact CE-CD2 4.42Å; M35-L65 HydrophobicContact CE-CG 4.15Å
36A98.6Very high97.1Very high2 Ų223.2 Ų23.22%0.01713%0.131CC..Hα-helixtrans-65.7-38173.200000112.2M32 V33 S40 S249 W250 G253M32-A36 WeakPolarHBondContact O-CB 3.47Å; M32-A36 PolarHBondContact O-N 3.45Å; V33-A36 PolarHBondContact O-N 3.21Å; A36-S40 VanDerWaalsContact O-CB 3.31Å; A36-S40 WeakPolarHBondContact O-CB 3.36Å; A36-S40 PolarHBondContact O-N 3.13Å; A36-S40 VanDerWaalsContact O-N 3.16Å; A36-S40 PolarHBondContact O-OG 3.18Å; A36-S249 VanDerWaalsContact CB-O 3.26Å; A36-S249 WeakPolarHBondContact CB-O 3.19Å; A36-W250 HydrophobicContact CB-CE3 3.95Å; A36-W250 HydrophobicContact CB-CZ3 4.23Å; A36-G253 WeakPolarHBondContact O-CA 3.24Å
37A98.6Very high97Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-63.5-54.2172.700000110.5V33 G34 M35 F39 S40 T41 C256V33-A37 WeakPolarHBondContact O-CB 3.27Å; V33-A37 PolarHBondContact O-N 3.08Å; G34-A37 PolarHBondContact O-N 3.21Å; M35-A37 VanDerWaalsContact C-N 3.34Å; A37-F39 PolarHBondContact O-N 3.28Å; A37-S40 PolarHBondContact O-N 3.27Å; A37-S40 VanDerWaalsContact O-N 3.09Å; A37-T41 WeakPolarHBondContact O-CB 3.09Å; A37-T41 WeakPolarHBondContact O-CG2 3.17Å; A37-T41 PolarHBondContact O-N 3.31Å; A37-T41 PolarHBondContact O-OG1 3.36Å; A37-C256 HydrophobicContact CB-CB 3.89Å
38A98.3Very high96.9Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-52.8-52.1178.100000112.8V27 G34 M35 S40 T41 M42 L48 L50V27-A38 HydrophobicContact CG2-CB 4.25Å; G34-A38 VanDerWaalsContact O-CB 3.29Å; G34-A38 WeakPolarHBondContact O-CB 3.43Å; G34-A38 PolarHBondContact O-N 3.35Å; M35-A38 PolarHBondContact O-N 3.05Å; A38-S40 PolarHBondContact O-N 3.48Å; A38-T41 WeakPolarHBondContact CA-OG1 3.34Å; A38-T41 PolarHBondContact O-N 3.18Å; A38-T41 PolarHBondContact O-OG1 2.73Å; A38-M42 PolarHBondContact O-N 3.04Å; A38-L48 HydrophobicContact CB-CD1 4.35Å; A38-L48 HydrophobicContact CB-CD2 4.01Å; A38-L50 HydrophobicContact CB-CD2 3.66Å
39F97.4Very high96.9Very high110 Ų11024.4 Ų24.448%0.48214%0.136SC..Hα-helixtrans-63.5-29.1179.9-170.2-96.7000113M35 A37 M42 L65M35-F39 WeakPolarHBondContact O-CB 3.3Å; M35-F39 PolarHBondContact O-N 2.84Å; A37-F39 PolarHBondContact O-N 3.28Å; F39-M42 VanDerWaalsContact CA-SD 3.56Å; F39-M42 HydrophobicContact CB-SD 4.41Å; F39-M42 HydrophobicContact CD2-SD 3.77Å; F39-M42 HydrophobicContact CE2-SD 4.28Å; F39-M42 HydrophobicContact CG-SD 4.2Å; F39-M42 WeakPolarHBondContact O-CG 3.48Å; F39-M42 VanDerWaalsContact O-SD 3.41Å; F39-L65 HydrophobicContact CD2-CD2 3.86Å
40S97.1Very high96.9Very high9 Ų924.2 Ų24.26%0.06313%0.134CC..Hα-helixtrans-82.9-40.8176.1-54.40000111.6A36 A37 A38 Q43 G253 R257A36-S40 VanDerWaalsContact O-CB 3.31Å; A36-S40 WeakPolarHBondContact O-CB 3.36Å; A36-S40 PolarHBondContact O-N 3.13Å; A36-S40 VanDerWaalsContact O-N 3.16Å; A36-S40 PolarHBondContact O-OG 3.18Å; A37-S40 PolarHBondContact O-N 3.27Å; A37-S40 VanDerWaalsContact O-N 3.09Å; A38-S40 PolarHBondContact O-N 3.48Å; S40-Q43 PolarHBondContact O-N 3.27Å; S40-G253 WeakPolarHBondContact CB-O 3.35Å; S40-R257 VanDerWaalsContact O-CD 3.29Å; S40-R257 WeakPolarHBondContact O-CD 3.44Å; S40-R257 VanDerWaalsContact O-CG 3.31Å; S40-R257 WeakPolarHBondContact O-CG 3.41Å
41T95.5Very high96.9Very high0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-75.4-26.2-176.352.70000113.4A37 A38 Q43 V44 A45 C256 R257 C260A37-T41 WeakPolarHBondContact O-CB 3.09Å; A37-T41 WeakPolarHBondContact O-CG2 3.17Å; A37-T41 PolarHBondContact O-N 3.31Å; A37-T41 PolarHBondContact O-OG1 3.36Å; A38-T41 WeakPolarHBondContact CA-OG1 3.34Å; A38-T41 PolarHBondContact O-N 3.18Å; A38-T41 PolarHBondContact O-OG1 2.73Å; T41-Q43 PolarHBondContact O-N 3.18Å; T41-V44 VanDerWaalsContact O-CG2 3.27Å; T41-V44 WeakPolarHBondContact O-CG2 3.31Å; T41-V44 PolarHBondContact O-N 2.83Å; T41-A45 PolarHBondContact O-N 2.67Å; T41-C256 HydrophobicContact CG2-CB 4.41Å; T41-R257 HydrophobicContact CG2-CB 4.48Å; T41-C260 HydrophobicContact CG2-CB 4.14Å
42M93.7Very high97Very high8 Ų823.6 Ų23.64%0.03912%0.121CC..THydrogen-bonded Turntrans-58.4-18.7174.266-169.3-77.700113.5A38 F39 V44 L48 L65 F72 I77A38-M42 PolarHBondContact O-N 3.04Å; F39-M42 VanDerWaalsContact CA-SD 3.56Å; F39-M42 HydrophobicContact CB-SD 4.41Å; F39-M42 HydrophobicContact CD2-SD 3.77Å; F39-M42 HydrophobicContact CE2-SD 4.28Å; F39-M42 HydrophobicContact CG-SD 4.2Å; F39-M42 WeakPolarHBondContact O-CG 3.48Å; F39-M42 VanDerWaalsContact O-SD 3.41Å; M42-V44 VanDerWaalsContact C-N 3.29Å; M42-L48 HydrophobicContact CB-CD2 4.1Å; M42-L65 HydrophobicContact SD-CD2 4.13Å; M42-F72 HydrophobicContact CE-CD1 3.45Å; M42-F72 VanDerWaalsContact CE-CD1 3.45Å; M42-F72 HydrophobicContact CE-CD2 3.44Å; M42-F72 VanDerWaalsContact CE-CD2 3.44Å; M42-F72 HydrophobicContact CE-CE1 3.09Å; M42-F72 HydrophobicContact CE-CE2 3.18Å; M42-F72 HydrophobicContact CE-CG 3.61Å; M42-F72 HydrophobicContact CE-CZ 2.98Å; M42-I77 HydrophobicContact CE-CD1 4.35Å
43Q92.1Very high97Very high108 Ų10825.3 Ų25.351%0.50514%0.137SC..THydrogen-bonded Turntrans-77.2-14.2175.6-59.4-179.629.900113.2S40 T41S40-Q43 PolarHBondContact O-N 3.27Å; T41-Q43 PolarHBondContact O-N 3.18Å
44V94.5Very high96.9Very high25 Ų2527.5 Ų27.515%0.15215%0.15CC..THydrogen-bonded Turntrans-125.3-13.5-177.1-58.90000113.5T41 M42 R257 C260 N261T41-V44 VanDerWaalsContact O-CG2 3.27Å; T41-V44 WeakPolarHBondContact O-CG2 3.31Å; T41-V44 PolarHBondContact O-N 2.83Å; M42-V44 VanDerWaalsContact C-N 3.29Å; V44-R257 HydrophobicContact CG1-CG 4.25Å; V44-R257 HydrophobicContact CG2-CG 4.39Å; V44-C260 HydrophobicContact CG2-CB 4.49Å; V44-N261 HydrophobicContact CB-CB 4.38Å; V44-N261 HydrophobicContact CG1-CB 4.07Å; V44-N261 HydrophobicContact CG2-CB 4.38Å
45A95.3Very high96.9Very high8 Ų830 Ų307%0.06617%0.171CC..  trans-96.7147.2175.800000111.7V25 T41 L264V25-A45 HydrophobicContact CB-CB 4.14Å; V25-A45 HydrophobicContact CG2-CB 3.7Å; T41-A45 PolarHBondContact O-N 2.67Å; A45-L264 HydrophobicContact CB-CD1 4.48Å
46G94.6Very high96.9Very high12 Ų1235.5 Ų35.512%0.12420%0.2CC..SBendtrans-88.9-22.6171.100000113.7R22 S23 C75 K76R22-G46 WeakPolarHBondContact CD-O 3.46Å; R22-G46 PolarHBondContact NH1-O 3.22Å; S23-G46 PolarHBondContact O-N 3.32Å; S23-G46 PolarHBondContact OG-N 3.12Å; G46-C75 WeakPolarHBondContact O-CA 3.35Å; G46-K76 PolarHBondContact O-N 3.01Å
47E96.1Very high96.9Very high28 Ų2840.2 Ų40.213%0.13122%0.221CC..EExtended strand (participates in β ladder)trans-135.9131.1170.6-176.1168.814300110.1R22 S23 K24 V25 V49 K76R22-E47 HydrophobicContact CB-CB 4.24Å; S23-E47 PolarHBondContact O-N 3.36Å; K24-E47 WeakPolarHBondContact CA-O 3.37Å; K24-E47 HydrophobicContact CB-CB 4.18Å; K24-E47 HydrophobicContact CD-CG 4.26Å; K24-E47 WeakPolarHBondContact CD-OE1 3.48Å; K24-E47 WeakPolarHBondContact CE-OE1 3.24Å; K24-E47 HydrophobicContact CG-CB 4.12Å; K24-E47 HydrophobicContact CG-CG 4.07Å; K24-E47 IonicContact NZ-OE1 2.7Å; K24-E47 PolarHBondContact NZ-OE1 2.61Å; V25-E47 PolarHBondContact N-O 3.03Å; E47-V49 HydrophobicContact CG-CG2 4.4Å; E47-K76 CarbonylContact C-O 3.56Å; E47-K76 VanDerWaalsContact CA-O 3.27Å; E47-K76 WeakPolarHBondContact CA-O 3.24Å; E47-K76 HydrophobicContact CB-CB 4.37Å; E47-K76 HydrophobicContact CG-CB 4.21Å; E47-K76 HydrophobicContact CG-CD 4.37Å; E47-K76 HydrophobicContact CG-CG 4.4Å; E47-K76 IonicContact OE2-NZ 3.47Å
48L97.6Very high96.9Very high0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-117.8127.7175.2173.968000108.7V25 V27 A38 M42 L50 L65 K76 I77 D78V25-L48 CarbonylContact O-C 3.48Å; V25-L48 WeakPolarHBondContact O-CA 3.15Å; V27-L48 HydrophobicContact CG2-CD1 3.93Å; A38-L48 HydrophobicContact CB-CD1 4.35Å; A38-L48 HydrophobicContact CB-CD2 4.01Å; M42-L48 HydrophobicContact CB-CD2 4.1Å; L48-L50 HydrophobicContact CD1-CD2 4.23Å; L48-L50 HydrophobicContact CD2-CD2 4.32Å; L48-L50 HydrophobicContact CG-CD2 4.21Å; L48-L65 HydrophobicContact CD2-CD1 4.02Å; L48-K76 PolarHBondContact N-O 3.21Å; L48-I77 HydrophobicContact CB-CG1 4.46Å; L48-I77 WeakPolarHBondContact O-CA 3.46Å; L48-D78 PolarHBondContact O-N 3Å; L48-D78 VanDerWaalsContact O-N 3.09Å
49V98.4Very high96.9Very high1 Ų146.7 Ų46.71%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-117.7132.2174.4172.20000110.2V25 T26 V27 E47 I51 D78V25-V49 PolarHBondContact O-N 3.06Å; T26-V49 CarbonylContact C-O 3.6Å; T26-V49 VanDerWaalsContact CA-O 3.31Å; T26-V49 WeakPolarHBondContact CA-O 3.4Å; T26-V49 HydrophobicContact CG2-CB 4.35Å; T26-V49 HydrophobicContact CG2-CG1 4.16Å; V27-V49 PolarHBondContact N-O 2.92Å; E47-V49 HydrophobicContact CG-CG2 4.4Å; V49-I51 HydrophobicContact CG1-CD1 3.96Å; V49-I51 HydrophobicContact CG1-CG1 4.13Å; V49-D78 CarbonylContact C-O 3.53Å; V49-D78 VanDerWaalsContact CA-O 3.28Å; V49-D78 WeakPolarHBondContact CA-O 3.34Å
50L98.8Very high97Very high0 Ų043.2 Ų43.20%024%0.244CC..EExtended strand (participates in β ladder)trans-106.1128.2174.1-56.8-173.7000110.6V27 V30 M35 A38 L48 V58 E61 V62 L65 D78 G79 G80V27-L50 HydrophobicContact CB-CD2 4.02Å; V30-L50 HydrophobicContact CG1-CB 3.89Å; V30-L50 HydrophobicContact CG1-CD1 4.15Å; V30-L50 HydrophobicContact CG1-CG 4.45Å; M35-L50 HydrophobicContact CE-CD1 4.26Å; M35-L50 HydrophobicContact SD-CD1 4.02Å; A38-L50 HydrophobicContact CB-CD2 3.66Å; L48-L50 HydrophobicContact CD1-CD2 4.23Å; L48-L50 HydrophobicContact CD2-CD2 4.32Å; L48-L50 HydrophobicContact CG-CD2 4.21Å; L50-V58 HydrophobicContact CB-CG2 3.93Å; L50-V58 WeakPolarHBondContact O-CG2 3.46Å; L50-E61 HydrophobicContact CD1-CB 4.14Å; L50-V62 HydrophobicContact CB-CG2 4.11Å; L50-V62 HydrophobicContact CD1-CG2 4.04Å; L50-V62 HydrophobicContact CG-CG2 4.31Å; L50-L65 HydrophobicContact CD1-CD1 3.88Å; L50-D78 PolarHBondContact N-O 2.87Å; L50-G79 CarbonylContact O-C 3.58Å; L50-G79 WeakPolarHBondContact O-CA 3.41Å; L50-G80 PolarHBondContact O-N 2.93Å
51I98.8Very high97.1Very high2 Ų244.2 Ų44.21%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-121.7126.5174.9-58-64.4000109.6T26 V27 I28 G29 V49 G80 D82 Y83T26-I51 HydrophobicContact CG2-CG1 3.82Å; V27-I51 PolarHBondContact O-N 3.23Å; I28-I51 WeakPolarHBondContact CA-O 3.49Å; I28-I51 HydrophobicContact CG1-CB 4.26Å; G29-I51 PolarHBondContact N-O 2.81Å; V49-I51 HydrophobicContact CG1-CD1 3.96Å; V49-I51 HydrophobicContact CG1-CG1 4.13Å; I51-G80 WeakPolarHBondContact CA-O 3.35Å; I51-D82 WeakPolarHBondContact CD1-O 3.44Å; I51-Y83 HydrophobicContact CG2-CD1 4.43Å; I51-Y83 HydrophobicContact CG2-CD2 4.28Å; I51-Y83 HydrophobicContact CG2-CE1 4.17Å; I51-Y83 HydrophobicContact CG2-CE2 3.99Å; I51-Y83 HydrophobicContact CG2-CG 4.48Å
52D98.5Very high97.2Very high30 Ų3044.7 Ų44.716%0.1625%0.25CS..  trans-149.1160.6170.7-158.4-73.1000110.2G29 V30 V54 V58 G80 T81G29-D52 VanDerWaalsContact CA-OD2 3.31Å; G29-D52 WeakPolarHBondContact CA-OD2 3.28Å; V30-D52 HydrophobicContact CB-CB 4.39Å; V30-D52 HydrophobicContact CG1-CB 4.17Å; V30-D52 HydrophobicContact CG2-CB 3.65Å; V30-D52 PolarHBondContact N-OD2 2.94Å; D52-V54 PolarHBondContact OD1-N 3.14Å; D52-V58 HydrophobicContact CB-CB 4.02Å; D52-G80 PolarHBondContact N-O 3.28Å; D52-T81 WeakPolarHBondContact O-CA 3.37Å; D52-T81 WeakPolarHBondContact O-CG2 3.47Å
53V97.3Very high97.4Very high129 Ų12947.8 Ų47.878%0.78227%0.267SS*.SBendtrans-79.1-22.4176.7-62.90000112.3A55V53-A55 PolarHBondContact O-N 2.95Å
54V97.5Very high97.7Very high82 Ų8248 Ų4850%0.49727%0.271SS..  trans-86.790.9-179.5-172.50000110D52 D56 K57 V58D52-V54 PolarHBondContact OD1-N 3.14Å; V54-D56 PolarHBondContact O-N 3.48Å; V54-K57 HydrophobicContact CB-CB 3.9Å; V54-K57 HydrophobicContact CG1-CB 3.59Å; V54-K57 WeakPolarHBondContact O-CB 3.47Å; V54-K57 PolarHBondContact O-N 2.86Å; V54-V58 PolarHBondContact O-N 3.29Å
55A98.2Very high97.8Very high53 Ų5347.4 Ų47.444%0.43827%0.268SS..Hα-helixtrans-49.8-50.7-171.600000114.5V53 K57 V58 K59 T81V53-A55 PolarHBondContact O-N 2.95Å; A55-K57 VanDerWaalsContact C-N 3.31Å; A55-K57 PolarHBondContact O-N 2.71Å; A55-V58 VanDerWaalsContact O-CG1 3.26Å; A55-V58 WeakPolarHBondContact O-CG1 3.38Å; A55-K59 VanDerWaalsContact O-CB 3.31Å; A55-K59 WeakPolarHBondContact O-CB 3.21Å; A55-K59 PolarHBondContact O-N 2.68Å; A55-T81 HydrophobicContact CB-CG2 3.74Å
56D98.5Very high97.8Very high138 Ų13849.9 Ų49.974%0.73828%0.278SS*.Hα-helixtrans-66.2-36.3-178.9-69.1-20.9000111.9V54 G60V54-D56 PolarHBondContact O-N 3.48Å; D56-G60 PolarHBondContact O-N 2.94Å
57K98.4Very high97.8Very high101 Ų10156.1 Ų56.144%0.43930%0.303SS..Hα-helixtrans-67.5-50.7179.8-176.963.3-176.7166.10110.9V30 V54 A55 K59 G60 E61V30-K57 HydrophobicContact CG2-CB 4.45Å; V30-K57 HydrophobicContact CG2-CG 3.72Å; V54-K57 HydrophobicContact CB-CB 3.9Å; V54-K57 HydrophobicContact CG1-CB 3.59Å; V54-K57 WeakPolarHBondContact O-CB 3.47Å; V54-K57 PolarHBondContact O-N 2.86Å; A55-K57 VanDerWaalsContact C-N 3.31Å; A55-K57 PolarHBondContact O-N 2.71Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K57-K59 PolarHBondContact O-N 2.8Å; K57-G60 PolarHBondContact O-N 3.25Å; K57-E61 HydrophobicContact CD-CG 4.35Å; K57-E61 WeakPolarHBondContact CE-OE1 3.46Å; K57-E61 IonicContact NZ-OE1 3.65Å; K57-E61 PolarHBondContact NZ-OE1 2.77Å; K57-E61 VanDerWaalsContact O-CG 3.3Å; K57-E61 WeakPolarHBondContact O-CG 3.25Å; K57-E61 PolarHBondContact O-N 2.83Å
58V98.6Very high97.7Very high1 Ų155.7 Ų55.71%0.00631%0.307CS..Hα-helixtrans-63-39.2178.361.70000111.6V30 L50 D52 V54 A55 G60 E61 V62V30-V58 HydrophobicContact CG1-CB 4.42Å; V30-V58 HydrophobicContact CG1-CG2 4.16Å; V30-V58 HydrophobicContact CG2-CB 4.34Å; L50-V58 HydrophobicContact CB-CG2 3.93Å; L50-V58 WeakPolarHBondContact O-CG2 3.46Å; D52-V58 HydrophobicContact CB-CB 4.02Å; V54-V58 PolarHBondContact O-N 3.29Å; A55-V58 VanDerWaalsContact O-CG1 3.26Å; A55-V58 WeakPolarHBondContact O-CG1 3.38Å; V58-G60 PolarHBondContact O-N 2.67Å; V58-E61 PolarHBondContact O-N 3.46Å; V58-V62 HydrophobicContact CG2-CG2 4.34Å; V58-V62 WeakPolarHBondContact O-CB 3.38Å; V58-V62 VanDerWaalsContact O-CG2 3.26Å; V58-V62 WeakPolarHBondContact O-CG2 3.15Å; V58-V62 PolarHBondContact O-N 2.88Å
59K98.5Very high97.2Very high136 Ų13659.7 Ų59.759%0.59133%0.325SS*.Hα-helixtrans-61.6-45.1175-175.1-179.9179.8-177.40111.8A55 K57 V62 L63A55-K59 VanDerWaalsContact O-CB 3.31Å; A55-K59 WeakPolarHBondContact O-CB 3.21Å; A55-K59 PolarHBondContact O-N 2.68Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K57-K59 PolarHBondContact O-N 2.8Å; K59-V62 PolarHBondContact O-N 3.11Å; K59-L63 HydrophobicContact CG-CD1 4.23Å; K59-L63 WeakPolarHBondContact O-CG 3.27Å; K59-L63 PolarHBondContact O-N 3.45Å
60G98.6Very high96.9Very high37 Ų3767.7 Ų67.738%0.38136%0.363SS..Hα-helixtrans-60.7-46.7177.200000112.5D56 K57 V58 L63 D64D56-G60 PolarHBondContact O-N 2.94Å; K57-G60 PolarHBondContact O-N 3.25Å; V58-G60 PolarHBondContact O-N 2.67Å; G60-L63 PolarHBondContact O-N 3.47Å; G60-D64 PolarHBondContact O-N 2.97Å
61E98.5Very high96.6Very high30 Ų3075.6 Ų75.614%0.1440%0.397CS..Hα-helixtrans-65.4-39.1179.1-66.5-68.4-17900112.6V30 M35 L50 K57 V58 L65V30-E61 HydrophobicContact CB-CG 4.3Å; V30-E61 HydrophobicContact CG2-CG 4.4Å; M35-E61 HydrophobicContact CE-CB 3.84Å; M35-E61 HydrophobicContact CE-CG 4.12Å; M35-E61 WeakPolarHBondContact CE-OE2 3.27Å; M35-E61 HydrophobicContact CG-CG 4.23Å; M35-E61 HydrophobicContact SD-CB 3.73Å; M35-E61 HydrophobicContact SD-CG 3.69Å; L50-E61 HydrophobicContact CD1-CB 4.14Å; K57-E61 HydrophobicContact CD-CG 4.35Å; K57-E61 WeakPolarHBondContact CE-OE1 3.46Å; K57-E61 IonicContact NZ-OE1 3.65Å; K57-E61 PolarHBondContact NZ-OE1 2.77Å; K57-E61 VanDerWaalsContact O-CG 3.3Å; K57-E61 WeakPolarHBondContact O-CG 3.25Å; K57-E61 PolarHBondContact O-N 2.83Å; V58-E61 PolarHBondContact O-N 3.46Å; E61-L65 WeakPolarHBondContact O-CG 3.4Å; E61-L65 PolarHBondContact O-N 3.11Å; E61-L65 VanDerWaalsContact O-N 3.11Å
62V98.2Very high95.9Very high9 Ų978.1 Ų78.16%0.05541%0.408CS..Hα-helixtrans-61.7-47173.9168.30000110.8L50 V58 K59 L65 Q66 I77L50-V62 HydrophobicContact CB-CG2 4.11Å; L50-V62 HydrophobicContact CD1-CG2 4.04Å; L50-V62 HydrophobicContact CG-CG2 4.31Å; V58-V62 HydrophobicContact CG2-CG2 4.34Å; V58-V62 WeakPolarHBondContact O-CB 3.38Å; V58-V62 VanDerWaalsContact O-CG2 3.26Å; V58-V62 WeakPolarHBondContact O-CG2 3.15Å; V58-V62 PolarHBondContact O-N 2.88Å; K59-V62 PolarHBondContact O-N 3.11Å; V62-L65 PolarHBondContact O-N 2.81Å; V62-Q66 HydrophobicContact CG1-CG 4.33Å; V62-Q66 WeakPolarHBondContact O-CB 3.39Å; V62-Q66 WeakPolarHBondContact O-CG 3.27Å; V62-Q66 PolarHBondContact O-N 3.39Å; V62-I77 HydrophobicContact CG1-CG2 4.45Å
63L98Very high94.9Very high73 Ų7379.4 Ų79.438%0.38243%0.429SS..Hα-helixtrans-62.8-43.1179.5-72.9171.1000112.1K59 G60 Q66 H67K59-L63 HydrophobicContact CG-CD1 4.23Å; K59-L63 WeakPolarHBondContact O-CG 3.27Å; K59-L63 PolarHBondContact O-N 3.45Å; G60-L63 PolarHBondContact O-N 3.47Å; L63-Q66 PolarHBondContact O-N 3.02Å; L63-H67 PolarHBondContact O-CD2 3.4Å; L63-H67 VanDerWaalsContact O-CG 3.29Å; L63-H67 PolarHBondContact O-N 3.15Å
64D97.8Very high94.3Very high112 Ų11283.5 Ų83.560%0.59943%0.43SS*.Hα-helixtrans-62.3-46.3179.9-162.613.4000111.3G60 Q66 H67 G68G60-D64 PolarHBondContact O-N 2.97Å; D64-Q66 PolarHBondContact O-N 3.04Å; D64-H67 PolarHBondContact O-N 2.93Å; D64-G68 PolarHBondContact O-N 2.89Å
65L96.8Very high94.1Very high14 Ų1479.7 Ų79.77%0.07341%0.407CS..Hα-helixtrans-64.8-36.9174.9-68.4179.9000113M35 F39 M42 L48 L50 E61 V62 G68 I77M35-L65 HydrophobicContact CE-CD1 3.87Å; M35-L65 HydrophobicContact CE-CD2 4.42Å; M35-L65 HydrophobicContact CE-CG 4.15Å; F39-L65 HydrophobicContact CD2-CD2 3.86Å; M42-L65 HydrophobicContact SD-CD2 4.13Å; L48-L65 HydrophobicContact CD2-CD1 4.02Å; L50-L65 HydrophobicContact CD1-CD1 3.88Å; E61-L65 WeakPolarHBondContact O-CG 3.4Å; E61-L65 PolarHBondContact O-N 3.11Å; E61-L65 VanDerWaalsContact O-N 3.11Å; V62-L65 PolarHBondContact O-N 2.81Å; L65-G68 PolarHBondContact O-N 3.35Å; L65-I77 HydrophobicContact CB-CD1 3.68Å; L65-I77 HydrophobicContact CB-CG2 4.12Å; L65-I77 HydrophobicContact CD1-CG2 4.3Å
66Q96.1Very high93.9Very high59 Ų5981.6 Ų81.628%0.27641%0.405SS..Hα-helixtrans-64.2-42.3175.8-77.8173.7-11.300111.7V62 L63 D64 G68 Q69 I77V62-Q66 HydrophobicContact CG1-CG 4.33Å; V62-Q66 WeakPolarHBondContact O-CB 3.39Å; V62-Q66 WeakPolarHBondContact O-CG 3.27Å; V62-Q66 PolarHBondContact O-N 3.39Å; L63-Q66 PolarHBondContact O-N 3.02Å; D64-Q66 PolarHBondContact O-N 3.04Å; Q66-G68 PolarHBondContact O-N 2.88Å; Q66-Q69 VanDerWaalsContact O-CB 3.25Å; Q66-Q69 WeakPolarHBondContact O-CB 3.41Å; Q66-Q69 VanDerWaalsContact O-CG 3.28Å; Q66-Q69 WeakPolarHBondContact O-CG 3.43Å; Q66-Q69 PolarHBondContact O-N 3.23Å; Q66-I77 HydrophobicContact CG-CB 4.06Å; Q66-I77 HydrophobicContact CG-CG2 4.46Å; Q66-I77 PolarHBondContact NE2-O 3.18Å
67H95.3Very high93.8Very high144 Ų14475.3 Ų75.367%0.66737%0.371SS*.Hα-helixtrans-62.5-26.3177.1-69.3176.5000112.6L63 D64 Q69L63-H67 PolarHBondContact O-CD2 3.4Å; L63-H67 VanDerWaalsContact O-CG 3.29Å; L63-H67 PolarHBondContact O-N 3.15Å; D64-H67 PolarHBondContact O-N 2.93Å; H67-Q69 VanDerWaalsContact C-N 3.31Å; H67-Q69 PolarHBondContact O-N 2.82Å
68G93.1Very high93.7Very high19 Ų1972.9 Ų72.920%0.19636%0.364CS..G310 helixtrans-75.5-9.3174.400000115.4D64 L65 Q66 Q70 F71 F72D64-G68 PolarHBondContact O-N 2.89Å; L65-G68 PolarHBondContact O-N 3.35Å; Q66-G68 PolarHBondContact O-N 2.88Å; G68-Q70 PolarHBondContact O-N 2.83Å; G68-F71 WeakPolarHBondContact O-CD2 3.34Å; G68-F71 PolarHBondContact O-N 2.98Å; G68-F72 WeakPolarHBondContact O-CD1 3.46Å; G68-F72 WeakPolarHBondContact O-CE1 3.27Å
69Q87.5Confident93.7Very high83 Ų8373.4 Ų73.439%0.38837%0.369SS..G310 helixtrans-57.5-20.4-167.3-81.8-178.5-28.900115.8Q66 H67 F71 F72 C75Q66-Q69 VanDerWaalsContact O-CB 3.25Å; Q66-Q69 WeakPolarHBondContact O-CB 3.41Å; Q66-Q69 VanDerWaalsContact O-CG 3.28Å; Q66-Q69 WeakPolarHBondContact O-CG 3.43Å; Q66-Q69 PolarHBondContact O-N 3.23Å; H67-Q69 VanDerWaalsContact C-N 3.31Å; H67-Q69 PolarHBondContact O-N 2.82Å; Q69-F71 PolarHBondContact O-N 2.78Å; Q69-F72 VanDerWaalsContact CA-CE1 3.42Å; Q69-F72 VanDerWaalsContact CA-CZ 3.43Å; Q69-F72 HydrophobicContact CB-CZ 4.08Å; Q69-F72 HydrophobicContact CG-CE1 4.36Å; Q69-F72 HydrophobicContact CG-CE2 4.09Å; Q69-F72 HydrophobicContact CG-CZ 3.55Å; Q69-C75 PolarHBondContact NE2-O 3.27Å
70Q92.4Very high93.7Very high170 Ų17067.4 Ų67.479%0.79435%0.346SS*.G310 helixtrans-67.2-25174.3-176177.6-35.600112.9G68G68-Q70 PolarHBondContact O-N 2.83Å
71F92.5Very high93.7Very high165 Ų16569.2 Ų69.272%0.72435%0.35SS*.G310 helixtrans-98.90.7-168.2-53.6-63.7000114.6G68 Q69G68-F71 WeakPolarHBondContact O-CD2 3.34Å; G68-F71 PolarHBondContact O-N 2.98Å; Q69-F71 PolarHBondContact O-N 2.78Å
72F83.6Confident93.6Very high56 Ų5670.8 Ų70.825%0.24636%0.359CS..SBendtrans-143.4172.4179.858.5-91.4000111.6M42 G68 Q69 C75 I77M42-F72 HydrophobicContact CE-CD1 3.45Å; M42-F72 VanDerWaalsContact CE-CD1 3.45Å; M42-F72 HydrophobicContact CE-CD2 3.44Å; M42-F72 VanDerWaalsContact CE-CD2 3.44Å; M42-F72 HydrophobicContact CE-CE1 3.09Å; M42-F72 HydrophobicContact CE-CE2 3.18Å; M42-F72 HydrophobicContact CE-CG 3.61Å; M42-F72 HydrophobicContact CE-CZ 2.98Å; G68-F72 WeakPolarHBondContact O-CD1 3.46Å; G68-F72 WeakPolarHBondContact O-CE1 3.27Å; Q69-F72 VanDerWaalsContact CA-CE1 3.42Å; Q69-F72 VanDerWaalsContact CA-CZ 3.43Å; Q69-F72 HydrophobicContact CB-CZ 4.08Å; Q69-F72 HydrophobicContact CG-CE1 4.36Å; Q69-F72 HydrophobicContact CG-CE2 4.09Å; Q69-F72 HydrophobicContact CG-CZ 3.55Å; F72-C75 HydrophobicContact CE2-CB 4.08Å; F72-I77 HydrophobicContact CE2-CD1 4.3Å; F72-I77 HydrophobicContact CZ-CD1 3.91Å
73G76.8Confident93.6Very high57 Ų5771.9 Ų71.959%0.58836%0.362SS*.SBendtrans-57.9161.8178.200000113C75G73-C75 PolarHBondContact O-N 2.94Å
74R84.8Confident93.6Very high214 Ų21474.3 Ų74.381%0.80837%0.37SS*.  trans-68.592.1-174.9-168.6-178.3-172.8-167.7-0.5112.4R22R22-R74 VanDerWaalsContact NH2-NE 3.16Å
75C93.1Very high93.6Very high2 Ų273.6 Ų73.61%0.01436%0.359CS..  trans-108.3124168.6-178.80000109.9G46 Q69 F72 G73G46-C75 WeakPolarHBondContact O-CA 3.35Å; Q69-C75 PolarHBondContact NE2-O 3.27Å; F72-C75 HydrophobicContact CE2-CB 4.08Å; G73-C75 PolarHBondContact O-N 2.94Å
76K94.4Very high93.6Very high94 Ų9473 Ų7341%0.40936%0.356SS..EExtended strand (participates in β ladder)trans-76.6127.3172.7177.8-177.9169.8-159.20108.1G46 E47 L48G46-K76 PolarHBondContact O-N 3.01Å; E47-K76 CarbonylContact C-O 3.56Å; E47-K76 VanDerWaalsContact CA-O 3.27Å; E47-K76 WeakPolarHBondContact CA-O 3.24Å; E47-K76 HydrophobicContact CB-CB 4.37Å; E47-K76 HydrophobicContact CG-CB 4.21Å; E47-K76 HydrophobicContact CG-CD 4.37Å; E47-K76 HydrophobicContact CG-CG 4.4Å; E47-K76 IonicContact OE2-NZ 3.47Å; L48-K76 PolarHBondContact N-O 3.21Å
77I96.1Very high93.7Very high5 Ų571.5 Ų71.53%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-118.9127.6-175.9-52.3-177.4000108.4M42 L48 V62 L65 Q66 F72M42-I77 HydrophobicContact CE-CD1 4.35Å; L48-I77 HydrophobicContact CB-CG1 4.46Å; L48-I77 WeakPolarHBondContact O-CA 3.46Å; V62-I77 HydrophobicContact CG1-CG2 4.45Å; L65-I77 HydrophobicContact CB-CD1 3.68Å; L65-I77 HydrophobicContact CB-CG2 4.12Å; L65-I77 HydrophobicContact CD1-CG2 4.3Å; Q66-I77 HydrophobicContact CG-CB 4.06Å; Q66-I77 HydrophobicContact CG-CG2 4.46Å; Q66-I77 PolarHBondContact NE2-O 3.18Å; F72-I77 HydrophobicContact CE2-CD1 4.3Å; F72-I77 HydrophobicContact CZ-CD1 3.91Å
78D96.8Very high93.8Very high51 Ų5170.9 Ų70.927%0.27336%0.356SS..EExtended strand (participates in β ladder)trans-146.9172.8178.2-156.6-7.5000109.6L48 V49 L50 Y85L48-D78 PolarHBondContact O-N 3Å; L48-D78 VanDerWaalsContact O-N 3.09Å; V49-D78 CarbonylContact C-O 3.53Å; V49-D78 VanDerWaalsContact CA-O 3.28Å; V49-D78 WeakPolarHBondContact CA-O 3.34Å; L50-D78 PolarHBondContact N-O 2.87Å; D78-Y85 HydrophobicContact CB-CD1 4.46Å; D78-Y85 WeakPolarHBondContact OD1-CE1 3.32Å; D78-Y85 WeakPolarHBondContact OD2-CD1 3.38Å
79G98Very high94Very high11 Ų1170.1 Ų70.111%0.11335%0.348CS..EExtended strand (participates in β ladder)trans164.1172.4177.900000114.7L50L50-G79 CarbonylContact O-C 3.58Å; L50-G79 WeakPolarHBondContact O-CA 3.41Å
80G98.5Very high94.5Very high11 Ų1169.5 Ų69.511%0.11335%0.347CS..EExtended strand (participates in β ladder)trans168.6-160.9-178.800000112.3L50 I51 D52L50-G80 PolarHBondContact O-N 2.93Å; I51-G80 WeakPolarHBondContact CA-O 3.35Å; D52-G80 PolarHBondContact N-O 3.28Å
81T98.4Very high94.8Very high75 Ų7561.5 Ų61.546%0.4631%0.309SS..SBendtrans-88.4-20.1177.958.20000113.2D52 A55D52-T81 WeakPolarHBondContact O-CA 3.37Å; D52-T81 WeakPolarHBondContact O-CG2 3.47Å; A55-T81 HydrophobicContact CB-CG2 3.74Å
82D98Very high95.2Very high62 Ų6253.6 Ų53.633%0.33228%0.275SS..SBendtrans-86.7125.5-179.1-168.2-18.8000111.3I51 K84 Y85I51-D82 WeakPolarHBondContact CD1-O 3.44Å; D82-K84 PolarHBondContact O-N 2.6Å; D82-K84 WeakPolarHBondContact OD1-CG 3.26Å; D82-K84 PolarHBondContact OD1-N 2.92Å; D82-K84 VanDerWaalsContact OD2-CD 3.3Å; D82-K84 WeakPolarHBondContact OD2-CD 3.38Å; D82-K84 WeakPolarHBondContact OD2-CE 3.48Å; D82-K84 IonicContact OD2-NZ 3.57Å; D82-Y85 HydrophobicContact CB-CD2 4.41Å; D82-Y85 HydrophobicContact CB-CE2 4.46Å; D82-Y85 VanDerWaalsContact O-CD2 3.24Å; D82-Y85 WeakPolarHBondContact O-CD2 3.28Å; D82-Y85 PolarHBondContact O-N 3.13Å
83Y98.3Very high95.9Very high32 Ų3251 Ų5113%0.12526%0.263CS..G310 helixtrans-63.6-12.5176.6-78.7-102.5000113.9I28 I51 Y85 S86 I120 N123 I124 Y127I28-Y83 HydrophobicContact CD1-CE1 3.95Å; I51-Y83 HydrophobicContact CG2-CD1 4.43Å; I51-Y83 HydrophobicContact CG2-CD2 4.28Å; I51-Y83 HydrophobicContact CG2-CE1 4.17Å; I51-Y83 HydrophobicContact CG2-CE2 3.99Å; I51-Y83 HydrophobicContact CG2-CG 4.48Å; Y83-Y85 PolarHBondContact O-N 3.26Å; Y83-S86 VanDerWaalsContact O-CB 3.31Å; Y83-S86 WeakPolarHBondContact O-CB 3.19Å; Y83-S86 PolarHBondContact O-N 3.26Å; Y83-S86 PolarHBondContact O-OG 2.97Å; Y83-I120 HydrophobicContact CE1-CG2 4.26Å; Y83-I120 WeakPolarHBondContact OH-CG1 3.39Å; Y83-N123 HydrophobicContact CD1-CB 3.5Å; Y83-N123 VanDerWaalsContact CD1-CB 3.5Å; Y83-N123 HydrophobicContact CD2-CB 3.91Å; Y83-N123 HydrophobicContact CE1-CB 3.95Å; Y83-N123 HydrophobicContact CE2-CB 4.35Å; Y83-N123 HydrophobicContact CG-CB 3.47Å; Y83-N123 VanDerWaalsContact CG-CB 3.47Å; Y83-I124 HydrophobicContact CE1-CG1 4.3Å; Y83-Y127 WeakPolarHBondContact O-CD2 3.45Å
84K97.7Very high96.9Very high125 Ų12548.2 Ų48.254%0.54324%0.235SC..G310 helixtrans-54.9-33.3172.2-74176.9-164.1162.60113.4D82 S86 A87 Y127D82-K84 PolarHBondContact O-N 2.6Å; D82-K84 WeakPolarHBondContact OD1-CG 3.26Å; D82-K84 PolarHBondContact OD1-N 2.92Å; D82-K84 VanDerWaalsContact OD2-CD 3.3Å; D82-K84 WeakPolarHBondContact OD2-CD 3.38Å; D82-K84 WeakPolarHBondContact OD2-CE 3.48Å; D82-K84 IonicContact OD2-NZ 3.57Å; K84-S86 PolarHBondContact O-N 3.28Å; K84-A87 VanDerWaalsContact O-CB 3.27Å; K84-A87 WeakPolarHBondContact O-CB 3.43Å; K84-A87 PolarHBondContact O-N 2.82Å; K84-A87 VanDerWaalsContact O-N 3.08Å; K84-Y127 HydrophobicContact CB-CE1 4.33Å; K84-Y127 HydrophobicContact CG-CD1 4.3Å; K84-Y127 HydrophobicContact CG-CE1 3.49Å; K84-Y127 VanDerWaalsContact CG-CE1 3.49Å; K84-Y127 HydrophobicContact CG-CE2 4.46Å; K84-Y127 WeakPolarHBondContact CG-OH 3.44Å
85Y97.6Very high97.6Very high96 Ų9639.1 Ų39.138%0.37620%0.203SC..G310 helixtrans-58.3-32.4175.2-71-77.3000111.6K24 D78 D82 Y83 A87K24-Y85 WeakPolarHBondContact CE-O 3.48Å; K24-Y85 PolarHBondContact NZ-O 3.17Å; D78-Y85 HydrophobicContact CB-CD1 4.46Å; D78-Y85 WeakPolarHBondContact OD1-CE1 3.32Å; D78-Y85 WeakPolarHBondContact OD2-CD1 3.38Å; D82-Y85 HydrophobicContact CB-CD2 4.41Å; D82-Y85 HydrophobicContact CB-CE2 4.46Å; D82-Y85 VanDerWaalsContact O-CD2 3.24Å; D82-Y85 WeakPolarHBondContact O-CD2 3.28Å; D82-Y85 PolarHBondContact O-N 3.13Å; Y83-Y85 PolarHBondContact O-N 3.26Å; Y85-A87 PolarHBondContact O-N 2.9Å
86S97.8Very high97.8Very high1 Ų140.1 Ų40.11%0.00721%0.212CC..G310 helixtrans-73.9-2.318077.80000114.3T26 Y83 K84 N88 S89 S128T26-S86 WeakPolarHBondContact OG1-CA 3.37Å; T26-S86 WeakPolarHBondContact OG1-CB 3.31Å; Y83-S86 VanDerWaalsContact O-CB 3.31Å; Y83-S86 WeakPolarHBondContact O-CB 3.19Å; Y83-S86 PolarHBondContact O-N 3.26Å; Y83-S86 PolarHBondContact O-OG 2.97Å; K84-S86 PolarHBondContact O-N 3.28Å; S86-N88 PolarHBondContact O-N 2.91Å; S86-S89 PolarHBondContact O-N 2.88Å; S86-S89 PolarHBondContact O-OG 2.91Å; S86-S128 PolarHBondContact O-OG 3.02Å
87A97.6Very high97.7Very high28 Ų2837.5 Ų37.523%0.23121%0.212CC..THydrogen-bonded Turntrans-56.6137.5-17400000113K24 K84 Y85 S89 Y127K24-A87 WeakPolarHBondContact CD-O 3.34Å; K24-A87 VanDerWaalsContact CE-O 3.27Å; K24-A87 WeakPolarHBondContact CE-O 3.35Å; K24-A87 PolarHBondContact NZ-O 2.89Å; K84-A87 VanDerWaalsContact O-CB 3.27Å; K84-A87 WeakPolarHBondContact O-CB 3.43Å; K84-A87 PolarHBondContact O-N 2.82Å; K84-A87 VanDerWaalsContact O-N 3.08Å; Y85-A87 PolarHBondContact O-N 2.9Å; A87-S89 VanDerWaalsContact C-N 3.33Å; A87-S89 PolarHBondContact O-N 3.45Å; A87-Y127 VanDerWaalsContact CA-O 3.28Å; A87-Y127 WeakPolarHBondContact CA-O 3.39Å
88N96.7Very high97.5Very high131 Ų13138.5 Ų38.570%0.70122%0.221SC*.THydrogen-bonded Turntrans59.235.4-178.6-52.3-50.1000114.4S86 Y127 S128S86-N88 PolarHBondContact O-N 2.91Å; N88-Y127 PolarHBondContact N-O 2.83Å; N88-S128 PolarHBondContact N-OG 2.94Å
89S98.2Very high97Very high4 Ų445 Ų453%0.02824%0.241CC..  trans-69.8142.5171-60.30000111.4T26 S86 A87 S128 C131T26-S89 PolarHBondContact OG1-OG 2.79Å; S86-S89 PolarHBondContact O-N 2.88Å; S86-S89 PolarHBondContact O-OG 2.91Å; A87-S89 VanDerWaalsContact C-N 3.33Å; A87-S89 PolarHBondContact O-N 3.45Å; S89-S128 WeakPolarHBondContact CB-OG 3.27Å; S89-S128 PolarHBondContact N-OG 3.02Å; S89-C131 WeakPolarHBondContact O-CB 3.45Å
90D98.3Very high96.4Very high69 Ų6950.2 Ų50.237%0.36926%0.263SS..SBendtrans-79.2-38.2168.4-59.9-62.6000110.5S23 K24 C131 I132 L264S23-D90 VanDerWaalsContact CA-OD2 3.27Å; S23-D90 WeakPolarHBondContact CA-OD2 3.38Å; K24-D90 PolarHBondContact N-OD2 2.93Å; K24-D90 PolarHBondContact O-N 2.8Å; D90-C131 CarbonylContact O-C 3.56Å; D90-C131 VanDerWaalsContact O-CA 3.24Å; D90-C131 WeakPolarHBondContact O-CA 3.5Å; D90-I132 PolarHBondContact O-N 3.42Å; D90-L264 HydrophobicContact CB-CD2 3.93Å
91I98.7Very high95.8Very high2 Ų254.1 Ų54.11%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-134.1138.1-179.6-54.6173.4000109.8K24 V25 T26 V93 I132 V134 C260 L263 L264K24-I91 PolarHBondContact O-N 2.98Å; V25-I91 WeakPolarHBondContact CA-O 3.31Å; V25-I91 HydrophobicContact CG2-CB 4.32Å; T26-I91 PolarHBondContact N-O 3.2Å; I91-V93 HydrophobicContact CG2-CG2 4.14Å; I91-I132 CarbonylContact C-O 3.5Å; I91-I132 WeakPolarHBondContact CA-O 3.41Å; I91-V134 HydrophobicContact CG2-CG2 3.84Å; I91-C260 HydrophobicContact CD1-CB 4.09Å; I91-L263 HydrophobicContact CD1-CB 3.52Å; I91-L263 HydrophobicContact CD1-CD1 3.83Å; I91-L263 HydrophobicContact CD1-CG 4.33Å; I91-L263 HydrophobicContact CG1-CB 4.42Å; I91-L263 HydrophobicContact CG1-CD1 4.38Å; I91-L264 HydrophobicContact CD1-CD1 4.46Å; I91-L264 HydrophobicContact CD1-CD2 3.65Å; I91-L264 HydrophobicContact CD1-CG 3.65Å; I91-L264 HydrophobicContact CG1-CD2 4.09Å
92V98.9Very high95.1Very high0 Ų060.2 Ų60.20%030%0.304CS..EExtended strand (participates in β ladder)trans-122114.1171.5-176.10000110T26 I28 I124 C131 I132 I133 V134T26-V92 HydrophobicContact CG2-CG1 4.37Å; T26-V92 CarbonylContact O-C 3.59Å; T26-V92 WeakPolarHBondContact O-CA 3.39Å; I28-V92 HydrophobicContact CD1-CG1 3.44Å; I28-V92 VanDerWaalsContact CD1-CG1 3.44Å; I28-V92 HydrophobicContact CG1-CG1 4.02Å; V92-I124 HydrophobicContact CB-CG2 4.13Å; V92-I124 HydrophobicContact CG1-CD1 3.7Å; V92-I124 HydrophobicContact CG1-CG1 4.02Å; V92-I124 HydrophobicContact CG1-CG2 4.18Å; V92-I124 HydrophobicContact CG2-CG2 3.9Å; V92-C131 HydrophobicContact CG2-CB 4.01Å; V92-I132 PolarHBondContact N-O 2.92Å; V92-I133 WeakPolarHBondContact O-CA 3.3Å; V92-V134 PolarHBondContact O-N 2.86Å
93V98.9Very high94.5Very high0 Ų061.3 Ų61.30%033%0.33CS..EExtended strand (participates in β ladder)trans-95.4118-179.9-174.40000109.4V25 T26 V27 I28 I91 T95 V134 V136V25-V93 HydrophobicContact CG1-CG2 4.11Å; T26-V93 PolarHBondContact O-N 3.26Å; V27-V93 WeakPolarHBondContact CA-O 3.49Å; V27-V93 HydrophobicContact CG2-CB 4.34Å; I28-V93 PolarHBondContact N-O 3.04Å; I91-V93 HydrophobicContact CG2-CG2 4.14Å; V93-T95 HydrophobicContact CG1-CG2 3.99Å; V93-V134 CarbonylContact C-O 3.47Å; V93-V134 WeakPolarHBondContact CA-O 3.3Å; V93-V134 HydrophobicContact CG2-CB 4.31Å; V93-V136 HydrophobicContact CG1-CG2 3.52Å
94I98.8Very high94.1Very high0 Ų061 Ų610%033%0.33CS..EExtended strand (participates in β ladder)trans-101.2109.1-177.9-51.2179.4000109.2I28 F117 I120 I121 I124 I133 V134 V136 S137I28-I94 HydrophobicContact CD1-CG1 4.37Å; I94-F117 HydrophobicContact CD1-CE1 4.46Å; I94-F117 HydrophobicContact CG2-CE1 4.41Å; I94-F117 HydrophobicContact CG2-CE2 3.97Å; I94-F117 HydrophobicContact CG2-CZ 3.69Å; I94-I120 HydrophobicContact CD1-CG2 4.5Å; I94-I121 HydrophobicContact CD1-CD1 3.35Å; I94-I124 HydrophobicContact CD1-CD1 3.67Å; I94-I124 HydrophobicContact CG1-CD1 4.09Å; I94-I133 HydrophobicContact CD1-CG2 3.63Å; I94-I133 HydrophobicContact CG1-CG2 4.23Å; I94-V134 PolarHBondContact N-O 3.05Å; I94-V136 WeakPolarHBondContact O-CA 3.48Å; I94-V136 WeakPolarHBondContact O-CB 2.97Å; I94-V136 PolarHBondContact O-N 3.37Å; I94-S137 PolarHBondContact O-N 3.15Å; I94-S137 VanDerWaalsContact O-N 3.16Å; I94-S137 PolarHBondContact O-OG 2.86Å
95T98.6Very high93.7Very high22 Ų2257.7 Ų57.714%0.13532%0.322CS..  trans-112.7-11.1176.376.10000112.7V27 I28 G29 V33 G34 V93 V136 S137V27-T95 HydrophobicContact CG1-CG2 4.19Å; I28-T95 CarbonylContact O-C 3.58Å; I28-T95 WeakPolarHBondContact O-CA 3.45Å; I28-T95 PolarHBondContact O-N 3.16Å; I28-T95 PolarHBondContact O-OG1 2.97Å; G29-T95 PolarHBondContact O-OG1 3.34Å; V33-T95 HydrophobicContact CG1-CG2 4.03Å; G34-T95 VanDerWaalsContact CA-OG1 3.3Å; G34-T95 WeakPolarHBondContact CA-OG1 3.27Å; V93-T95 HydrophobicContact CG1-CG2 3.99Å; T95-V136 HydrophobicContact CG2-CB 4.12Å; T95-V136 HydrophobicContact CG2-CG2 4.14Å; T95-S137 VanDerWaalsContact C-OG 3.25Å
96A97.1Very high93.1Very high23 Ų2357.2 Ų57.219%0.1932%0.32CS..  trans-67.7132.1176.700000111.3I28 I120 S137I28-A96 HydrophobicContact CG2-CB 4.03Å; I28-A96 PolarHBondContact O-N 2.77Å; A96-I120 HydrophobicContact CB-CD1 3.85Å; A96-S137 PolarHBondContact N-OG 3.42Å; A96-S137 WeakPolarHBondContact O-CB 3.39Å; A96-S137 PolarHBondContact O-OG 3.43Å
97G93.6Very high92.8Very high40 Ų4060.4 Ų60.441%0.41234%0.337SS..  trans-175.4159.8176.800000111.6N113G97-N113 WeakPolarHBondContact CA-OD1 3.35Å
98A91.6Very high92.5Very high26 Ų2663.5 Ų63.522%0.21535%0.349CS..PPolyproline II helixtrans-72.9139.5170.600000110L109 R112 N113 I116A98-L109 HydrophobicContact CB-CD1 4.48Å; A98-R112 HydrophobicContact CB-CB 4.28Å; A98-N113 PolarHBondContact N-OD1 3.35Å; A98-N113 PolarHBondContact O-ND2 3.25Å; A98-I116 HydrophobicContact CB-CD1 3.96Å
99R86.5Confident92.4Very high186 Ų18658.1 Ų58.170%0.70232%0.321SS*.PPolyproline II helixtrans-79.7147.8168.4-63.1-177.7-177.2-177.11.1109.5N101 R112R99-N101 PolarHBondContact O-N 2.84Å; R99-R112 PolarHBondContact O-NH2 3.29Å
100Q84.6Confident92.3Very high121 Ų12158 Ų5857%0.56532%0.319SS*.PPolyproline II helixtrans-61.9130.1173.5-164.8171.15.400110.2E104 L109Q100-E104 WeakPolarHBondContact CA-OE2 3.22Å; Q100-E104 HydrophobicContact CG-CB 4.21Å; Q100-E104 PolarHBondContact NE2-O 3.09Å; Q100-L109 HydrophobicContact CB-CD1 4.38Å; Q100-L109 HydrophobicContact CB-CD2 3.84Å; Q100-L109 HydrophobicContact CG-CD2 4.03Å
101N86.3Confident92.1Very high93 Ų9356.2 Ų56.250%0.49731%0.309SS..PPolyproline II helixtrans-83.4154.5171.3-63.6-22.3000109.7R99 G103 E104R99-N101 PolarHBondContact O-N 2.84Å; N101-G103 PolarHBondContact O-N 3.48Å; N101-E104 HydrophobicContact CB-CB 4.1Å; N101-E104 PolarHBondContact N-OE2 3.45Å; N101-E104 WeakPolarHBondContact O-CB 3.48Å; N101-E104 PolarHBondContact O-N 2.89Å
102E83.3Confident92.1Very high203 Ų20359.7 Ų59.795%0.94932%0.322SS*.THydrogen-bonded Turntrans-58130.8175.3-169176.1179.900110.7E104E102-E104 PolarHBondContact O-N 2.94Å
103G85.7Confident92Very high85 Ų8559.7 Ų59.788%0.87632%0.322SS*.THydrogen-bonded Turntrans72.82.7-177.300000115.6N101N101-G103 PolarHBondContact O-N 3.48Å
104E90.5Very high91.9Very high26 Ų2659.7 Ų59.712%0.12132%0.322CS..  trans-74132-179.5-171.9-174.3-157.900112.3Q100 N101 E102 N108 L109 R112Q100-E104 WeakPolarHBondContact CA-OE2 3.22Å; Q100-E104 HydrophobicContact CG-CB 4.21Å; Q100-E104 PolarHBondContact NE2-O 3.09Å; N101-E104 HydrophobicContact CB-CB 4.1Å; N101-E104 PolarHBondContact N-OE2 3.45Å; N101-E104 WeakPolarHBondContact O-CB 3.48Å; N101-E104 PolarHBondContact O-N 2.89Å; E102-E104 PolarHBondContact O-N 2.94Å; E104-N108 HydrophobicContact CG-CB 3.81Å; E104-L109 WeakPolarHBondContact OE1-CA 3.32Å; E104-L109 PolarHBondContact OE1-N 3.46Å; E104-R112 IonicContact OE1-CZ 3.35Å; E104-R112 IonicContact OE1-NE 2.64Å; E104-R112 PolarHBondContact OE1-NE 2.77Å; E104-R112 IonicContact OE1-NH2 3.52Å; E104-R112 PolarHBondContact OE1-NH2 3.37Å; E104-R112 IonicContact OE2-CZ 3.68Å; E104-R112 IonicContact OE2-NE 3.12Å; E104-R112 IonicContact OE2-NH2 2.58Å; E104-R112 PolarHBondContact OE2-NH2 2.91Å
105S87.5Confident91.8Very high55 Ų5563 Ų6339%0.38534%0.34SS..  trans-65.4147.4173.3770000111.8L107 N108 L109S105-L107 PolarHBondContact O-N 2.97Å; S105-N108 PolarHBondContact O-N 2.93Å; S105-N108 VanDerWaalsContact O-N 3.08Å; S105-N108 WeakPolarHBondContact OG-CB 3.34Å; S105-N108 PolarHBondContact OG-N 2.94Å; S105-N108 PolarHBondContact OG-ND2 3.11Å; S105-L109 PolarHBondContact O-N 3.06Å; S105-L109 VanDerWaalsContact O-N 3.11Å
106R87Confident91.8Very high86 Ų8664.6 Ų64.633%0.32535%0.347SS..Hα-helixtrans-52.6-41.2175.4-176.2177.6177.3161.46.9112.4L109 V110 E192 L323R106-L109 PolarHBondContact O-N 3.05Å; R106-V110 VanDerWaalsContact O-CG2 3.31Å; R106-V110 WeakPolarHBondContact O-CG2 3.35Å; R106-V110 PolarHBondContact O-N 2.96Å; R106-E192 IonicContact CZ-OE1 3.88Å; R106-E192 IonicContact NH1-OE1 2.68Å; R106-E192 PolarHBondContact NH1-OE1 3.39Å; R106-E192 IonicContact NH1-OE2 3.88Å; R106-E192 IonicContact NH2-OE1 3.95Å; R106-E192 PolarHBondContact NH2-OE1 2.8Å; R106-L323 VanDerWaalsContact NH2-CD2 3.27Å
107L89.8Confident91.9Very high69 Ų6963.5 Ų63.536%0.36134%0.338SS..Hα-helixtrans-65.8-39.8179.3-175.963.3000112.3S105 V110 Q111 V326S105-L107 PolarHBondContact O-N 2.97Å; L107-V110 PolarHBondContact O-N 3.05Å; L107-Q111 PolarHBondContact O-N 2.63Å; L107-V326 HydrophobicContact CD1-CG1 4.14Å
108N92.7Very high92.1Very high92 Ų9264.2 Ų64.249%0.49233%0.329SS..Hα-helixtrans-66.6-41.8177.4-73.9-10.1000111.7E104 S105 V110 Q111 R112E104-N108 HydrophobicContact CG-CB 3.81Å; S105-N108 PolarHBondContact O-N 2.93Å; S105-N108 VanDerWaalsContact O-N 3.08Å; S105-N108 WeakPolarHBondContact OG-CB 3.34Å; S105-N108 PolarHBondContact OG-N 2.94Å; S105-N108 PolarHBondContact OG-ND2 3.11Å; N108-V110 VanDerWaalsContact C-N 3.32Å; N108-V110 PolarHBondContact O-N 3.47Å; N108-Q111 PolarHBondContact O-N 3.06Å; N108-R112 PolarHBondContact O-N 2.82Å
109L93.7Very high92.3Very high19 Ų1970.4 Ų70.410%0.09935%0.352CS..Hα-helixtrans-59.9-44.3174173.762.9000111.4A98 Q100 E104 S105 R106 N113A98-L109 HydrophobicContact CB-CD1 4.48Å; Q100-L109 HydrophobicContact CB-CD1 4.38Å; Q100-L109 HydrophobicContact CB-CD2 3.84Å; Q100-L109 HydrophobicContact CG-CD2 4.03Å; E104-L109 WeakPolarHBondContact OE1-CA 3.32Å; E104-L109 PolarHBondContact OE1-N 3.46Å; S105-L109 PolarHBondContact O-N 3.06Å; S105-L109 VanDerWaalsContact O-N 3.11Å; R106-L109 PolarHBondContact O-N 3.05Å; L109-N113 WeakPolarHBondContact CD1-ND2 3.24Å; L109-N113 PolarHBondContact O-N 3.43Å; L109-N113 VanDerWaalsContact O-N 3.16Å; L109-N113 PolarHBondContact O-ND2 3.23Å
110V95.4Very high92.9Very high0 Ų062 Ų620%032%0.321CS..Hα-helixtrans-59.1-48.6175.1166.10000110.2R106 L107 N108 R112 N113 V114 P139 I142 V326 I330R106-V110 VanDerWaalsContact O-CG2 3.31Å; R106-V110 WeakPolarHBondContact O-CG2 3.35Å; R106-V110 PolarHBondContact O-N 2.96Å; L107-V110 PolarHBondContact O-N 3.05Å; N108-V110 VanDerWaalsContact C-N 3.32Å; N108-V110 PolarHBondContact O-N 3.47Å; V110-R112 PolarHBondContact O-N 3.41Å; V110-N113 PolarHBondContact O-N 2.86Å; V110-N113 VanDerWaalsContact O-N 3.16Å; V110-V114 HydrophobicContact CG1-CG2 4.09Å; V110-V114 VanDerWaalsContact O-CG2 3.26Å; V110-V114 WeakPolarHBondContact O-CG2 3.26Å; V110-V114 PolarHBondContact O-N 2.87Å; V110-P139 HydrophobicContact CG2-CG 3.5Å; V110-I142 HydrophobicContact CG1-CG2 3.76Å; V110-I142 HydrophobicContact CG2-CD1 3.86Å; V110-I142 HydrophobicContact CG2-CG2 4.26Å; V110-V326 HydrophobicContact CB-CG1 4.44Å; V110-V326 HydrophobicContact CG1-CG1 4.46Å; V110-V326 HydrophobicContact CG2-CG1 3.97Å; V110-I330 HydrophobicContact CG1-CD1 3.99Å; V110-I330 HydrophobicContact CG1-CG1 3.89Å
111Q96.1Very high93.6Very high33 Ų3356.3 Ų56.315%0.15429%0.294CS..Hα-helixtrans-60.7-43.7-178-171.161.154.900112.5L107 N108 N113 V114 D115 K331L107-Q111 PolarHBondContact O-N 2.63Å; N108-Q111 PolarHBondContact O-N 3.06Å; Q111-N113 VanDerWaalsContact C-N 3.31Å; Q111-N113 PolarHBondContact O-N 2.88Å; Q111-V114 WeakPolarHBondContact O-CB 3.34Å; Q111-V114 PolarHBondContact O-N 3.35Å; Q111-D115 PolarHBondContact NE2-OD1 3.16Å; Q111-D115 PolarHBondContact O-N 3.37Å; Q111-K331 PolarHBondContact NE2-O 2.96Å
112R96.8Very high94.2Very high75 Ų7554.9 Ų54.928%0.28329%0.289SS..Hα-helixtrans-60.9-42.1176-69.4-170.4-59.2141.37.1111.9A98 R99 E104 N108 V110 D115 I116A98-R112 HydrophobicContact CB-CB 4.28Å; R99-R112 PolarHBondContact O-NH2 3.29Å; E104-R112 IonicContact OE1-CZ 3.35Å; E104-R112 IonicContact OE1-NE 2.64Å; E104-R112 PolarHBondContact OE1-NE 2.77Å; E104-R112 IonicContact OE1-NH2 3.52Å; E104-R112 PolarHBondContact OE1-NH2 3.37Å; E104-R112 IonicContact OE2-CZ 3.68Å; E104-R112 IonicContact OE2-NE 3.12Å; E104-R112 IonicContact OE2-NH2 2.58Å; E104-R112 PolarHBondContact OE2-NH2 2.91Å; N108-R112 PolarHBondContact O-N 2.82Å; V110-R112 PolarHBondContact O-N 3.41Å; R112-D115 PolarHBondContact O-N 3.13Å; R112-I116 WeakPolarHBondContact O-CG1 3.37Å; R112-I116 PolarHBondContact O-N 3.43Å; R112-I116 VanDerWaalsContact O-N 3.07Å
113N97.6Very high94.9Very high0 Ų047.9 Ų47.90%026%0.259CS..Hα-helixtrans-69.1-35176.9-81.3-62.4000112.7G97 A98 L109 V110 Q111 D115 I116 F117 L143G97-N113 WeakPolarHBondContact CA-OD1 3.35Å; A98-N113 PolarHBondContact N-OD1 3.35Å; A98-N113 PolarHBondContact O-ND2 3.25Å; L109-N113 WeakPolarHBondContact CD1-ND2 3.24Å; L109-N113 PolarHBondContact O-N 3.43Å; L109-N113 VanDerWaalsContact O-N 3.16Å; L109-N113 PolarHBondContact O-ND2 3.23Å; V110-N113 PolarHBondContact O-N 2.86Å; V110-N113 VanDerWaalsContact O-N 3.16Å; Q111-N113 VanDerWaalsContact C-N 3.31Å; Q111-N113 PolarHBondContact O-N 2.88Å; N113-D115 VanDerWaalsContact C-N 3.33Å; N113-D115 PolarHBondContact O-N 2.85Å; N113-I116 PolarHBondContact O-N 3.29Å; N113-F117 WeakPolarHBondContact O-CB 3.47Å; N113-F117 VanDerWaalsContact O-CD2 3.26Å; N113-F117 WeakPolarHBondContact O-CD2 3.28Å; N113-F117 PolarHBondContact O-N 3.38Å; N113-L143 HydrophobicContact CB-CD1 3.81Å; N113-L143 HydrophobicContact CB-CD2 3.62Å; N113-L143 HydrophobicContact CB-CG 4.36Å
114V97.4Very high95.5Very high0 Ų043.8 Ų43.80%022%0.217CC..Hα-helixtrans-58.3-45.8170.8166.80000110.4V110 Q111 I116 F117 K118 V146 I330V110-V114 HydrophobicContact CG1-CG2 4.09Å; V110-V114 VanDerWaalsContact O-CG2 3.26Å; V110-V114 WeakPolarHBondContact O-CG2 3.26Å; V110-V114 PolarHBondContact O-N 2.87Å; Q111-V114 WeakPolarHBondContact O-CB 3.34Å; Q111-V114 PolarHBondContact O-N 3.35Å; V114-I116 VanDerWaalsContact C-N 3.33Å; V114-I116 PolarHBondContact O-N 3.07Å; V114-F117 PolarHBondContact O-N 3.19Å; V114-F117 VanDerWaalsContact O-N 3.13Å; V114-K118 HydrophobicContact CG1-CD 4.44Å; V114-K118 WeakPolarHBondContact O-CG 3.22Å; V114-K118 PolarHBondContact O-N 3Å; V114-V146 HydrophobicContact CG1-CG1 4.48Å; V114-V146 HydrophobicContact CG2-CG1 4.06Å; V114-V146 HydrophobicContact CG2-CG2 3.7Å; V114-I330 HydrophobicContact CG1-CG2 4.09Å; V114-I330 HydrophobicContact CG2-CD1 4.43Å; V114-I330 HydrophobicContact CG2-CG2 3.87Å
115D97.1Very high95.9Very high69 Ų6944.4 Ų44.437%0.36922%0.222SC..Hα-helixtrans-67.4-32.2179.3-64-28000112.9Q111 R112 N113 K118Q111-D115 PolarHBondContact NE2-OD1 3.16Å; Q111-D115 PolarHBondContact O-N 3.37Å; R112-D115 PolarHBondContact O-N 3.13Å; N113-D115 VanDerWaalsContact C-N 3.33Å; N113-D115 PolarHBondContact O-N 2.85Å; D115-K118 IonicContact OD1-NZ 2.81Å; D115-K118 PolarHBondContact OD1-NZ 2.77Å
116I97.5Very high96.4Very high55 Ų5548.6 Ų48.628%0.28223%0.233SC..Hα-helixtrans-65-48.8168.8-68.6167.8000109.8A98 R112 N113 V114 K118 K119 I120A98-I116 HydrophobicContact CB-CD1 3.96Å; R112-I116 WeakPolarHBondContact O-CG1 3.37Å; R112-I116 PolarHBondContact O-N 3.43Å; R112-I116 VanDerWaalsContact O-N 3.07Å; N113-I116 PolarHBondContact O-N 3.29Å; V114-I116 VanDerWaalsContact C-N 3.33Å; V114-I116 PolarHBondContact O-N 3.07Å; I116-K118 VanDerWaalsContact C-N 3.31Å; I116-K118 PolarHBondContact O-N 3.5Å; I116-K119 WeakPolarHBondContact O-CB 3.39Å; I116-K119 PolarHBondContact O-N 2.84Å; I116-I120 HydrophobicContact CG2-CD1 3.5Å; I116-I120 VanDerWaalsContact CG2-CD1 3.5Å; I116-I120 HydrophobicContact CG2-CG1 4.17Å; I116-I120 WeakPolarHBondContact O-CG1 3.47Å; I116-I120 PolarHBondContact O-N 3.14Å; I116-I120 VanDerWaalsContact O-N 3.16Å
117F98.5Very high96.9Very high0 Ų046.5 Ų46.50%023%0.226CC..Hα-helixtrans-64.1-33.3-178-87.4-133.8000112.6I94 N113 V114 K119 I120 I121 V135 L143 V146 A147 L150I94-F117 HydrophobicContact CD1-CE1 4.46Å; I94-F117 HydrophobicContact CG2-CE1 4.41Å; I94-F117 HydrophobicContact CG2-CE2 3.97Å; I94-F117 HydrophobicContact CG2-CZ 3.69Å; N113-F117 WeakPolarHBondContact O-CB 3.47Å; N113-F117 VanDerWaalsContact O-CD2 3.26Å; N113-F117 WeakPolarHBondContact O-CD2 3.28Å; N113-F117 PolarHBondContact O-N 3.38Å; V114-F117 PolarHBondContact O-N 3.19Å; V114-F117 VanDerWaalsContact O-N 3.13Å; F117-K119 PolarHBondContact O-N 2.81Å; F117-I120 PolarHBondContact O-N 3.3Å; F117-I120 VanDerWaalsContact O-N 3.13Å; F117-I121 HydrophobicContact CB-CG1 4.16Å; F117-I121 HydrophobicContact CD1-CD1 4.08Å; F117-I121 HydrophobicContact CD1-CG1 4.02Å; F117-I121 HydrophobicContact CE1-CD1 4.49Å; F117-I121 HydrophobicContact CG-CG1 4.37Å; F117-I121 WeakPolarHBondContact O-CB 3.35Å; F117-I121 WeakPolarHBondContact O-CG1 3.27Å; F117-I121 PolarHBondContact O-N 2.86Å; F117-V135 HydrophobicContact CE1-CG1 4.08Å; F117-V135 HydrophobicContact CE1-CG2 4.48Å; F117-V135 HydrophobicContact CZ-CG1 4.03Å; F117-L143 HydrophobicContact CE1-CB 3.93Å; F117-L143 WeakPolarHBondContact CE1-O 3.34Å; F117-L143 HydrophobicContact CE2-CD1 4.12Å; F117-L143 HydrophobicContact CZ-CB 3.98Å; F117-L143 HydrophobicContact CZ-CD1 4.06Å; F117-L143 HydrophobicContact CZ-CG 4.48Å; F117-V146 HydrophobicContact CB-CG1 4.1Å; F117-V146 HydrophobicContact CD1-CG1 4.33Å; F117-A147 HydrophobicContact CD1-CB 4.19Å; F117-A147 HydrophobicContact CE1-CB 4.13Å; F117-L150 HydrophobicContact CB-CD1 3.84Å
118K98Very high97.3Very high56 Ų5643.3 Ų43.324%0.24321%0.209CC..Hα-helixtrans-57.6-26.4171.8-75.2174.4-170.3167.40113.2V114 D115 I116 P122 L150 K331 W332V114-K118 HydrophobicContact CG1-CD 4.44Å; V114-K118 WeakPolarHBondContact O-CG 3.22Å; V114-K118 PolarHBondContact O-N 3Å; D115-K118 IonicContact OD1-NZ 2.81Å; D115-K118 PolarHBondContact OD1-NZ 2.77Å; I116-K118 VanDerWaalsContact C-N 3.31Å; I116-K118 PolarHBondContact O-N 3.5Å; K118-P122 VanDerWaalsContact O-CD 3.27Å; K118-P122 WeakPolarHBondContact O-CD 3.13Å; K118-P122 WeakPolarHBondContact O-CG 3.25Å; K118-L150 HydrophobicContact CG-CD1 4.11Å; K118-L150 HydrophobicContact CG-CD2 3.98Å; K118-K331 PolarHBondContact NZ-O 2.67Å; K118-W332 WeakPolarHBondContact CE-OXT 3.41Å; K118-W332 PolarHBondContact NZ-OXT 3.16Å
119K97.5Very high97.6Very high156 Ų15642.3 Ų42.368%0.67821%0.208SC*.Hα-helixtrans-89.1-34175.7-59.4174.9-174.41770112.3I116 F117 N123I116-K119 WeakPolarHBondContact O-CB 3.39Å; I116-K119 PolarHBondContact O-N 2.84Å; F117-K119 PolarHBondContact O-N 2.81Å; K119-N123 PolarHBondContact O-ND2 3.33Å
120I98.4Very high97.8Very high10 Ų1050.3 Ų50.35%0.05124%0.242CC..Hα-helixtrans-79.6-56.4-175.5-63.1-178.4000111.5I28 Y83 I94 A96 I116 F117 N123 I124I28-I120 HydrophobicContact CD1-CG2 3.77Å; I28-I120 HydrophobicContact CG2-CD1 4.08Å; I28-I120 HydrophobicContact CG2-CG2 4.11Å; Y83-I120 HydrophobicContact CE1-CG2 4.26Å; Y83-I120 WeakPolarHBondContact OH-CG1 3.39Å; I94-I120 HydrophobicContact CD1-CG2 4.5Å; A96-I120 HydrophobicContact CB-CD1 3.85Å; I116-I120 HydrophobicContact CG2-CD1 3.5Å; I116-I120 VanDerWaalsContact CG2-CD1 3.5Å; I116-I120 HydrophobicContact CG2-CG1 4.17Å; I116-I120 WeakPolarHBondContact O-CG1 3.47Å; I116-I120 PolarHBondContact O-N 3.14Å; I116-I120 VanDerWaalsContact O-N 3.16Å; F117-I120 PolarHBondContact O-N 3.3Å; F117-I120 VanDerWaalsContact O-N 3.13Å; I120-N123 PolarHBondContact O-N 2.86Å; I120-I124 HydrophobicContact CG2-CD1 3.72Å; I120-I124 HydrophobicContact CG2-CG1 4.25Å; I120-I124 PolarHBondContact O-N 2.93Å
121I98.6Very high97.9Very high0 Ų050.3 Ų50.30%024%0.242CC..Hα-helixtrans-62-45.2-166.4-59.6-67.1000113I94 F117 N123 I124 V125 A147 L150I94-I121 HydrophobicContact CD1-CD1 3.35Å; F117-I121 HydrophobicContact CB-CG1 4.16Å; F117-I121 HydrophobicContact CD1-CD1 4.08Å; F117-I121 HydrophobicContact CD1-CG1 4.02Å; F117-I121 HydrophobicContact CE1-CD1 4.49Å; F117-I121 HydrophobicContact CG-CG1 4.37Å; F117-I121 WeakPolarHBondContact O-CB 3.35Å; F117-I121 WeakPolarHBondContact O-CG1 3.27Å; F117-I121 PolarHBondContact O-N 2.86Å; I121-N123 VanDerWaalsContact C-N 3.25Å; I121-N123 PolarHBondContact O-N 2.8Å; I121-I124 HydrophobicContact CD1-CD1 4.17Å; I121-I124 WeakPolarHBondContact O-CB 3.28Å; I121-I124 PolarHBondContact O-N 3.03Å; I121-I124 VanDerWaalsContact O-N 3.13Å; I121-V125 HydrophobicContact CG2-CG2 4.29Å; I121-V125 WeakPolarHBondContact O-CG2 3.15Å; I121-V125 PolarHBondContact O-N 3.24Å; I121-A147 HydrophobicContact CD1-CB 3.76Å; I121-A147 HydrophobicContact CG1-CB 4.44Å; I121-L150 HydrophobicContact CB-CB 3.88Å; I121-L150 HydrophobicContact CB-CD1 4.4Å; I121-L150 HydrophobicContact CG1-CB 4.26Å; I121-L150 HydrophobicContact CG1-CD1 4.2Å; I121-L150 HydrophobicContact CG2-CB 3.69Å
122P98.4Very high98Very high63 Ų6349.2 Ų49.241%0.40924%0.237SC..Hα-helixtrans-60.9-34.1178.5-26.137.3000113.4K118 K126K118-P122 VanDerWaalsContact O-CD 3.27Å; K118-P122 WeakPolarHBondContact O-CD 3.13Å; K118-P122 WeakPolarHBondContact O-CG 3.25Å; P122-K126 WeakPolarHBondContact O-CB 2.94Å; P122-K126 PolarHBondContact O-N 2.85Å
123N98.6Very high98.1Very high56 Ų5645.7 Ų45.730%0.29922%0.223SC..Hα-helixtrans-69.4-40175.9-77.5-65.3000111.8Y83 K119 I120 I121 V125 K126 Y127Y83-N123 HydrophobicContact CD1-CB 3.5Å; Y83-N123 VanDerWaalsContact CD1-CB 3.5Å; Y83-N123 HydrophobicContact CD2-CB 3.91Å; Y83-N123 HydrophobicContact CE1-CB 3.95Å; Y83-N123 HydrophobicContact CE2-CB 4.35Å; Y83-N123 HydrophobicContact CG-CB 3.47Å; Y83-N123 VanDerWaalsContact CG-CB 3.47Å; K119-N123 PolarHBondContact O-ND2 3.33Å; I120-N123 PolarHBondContact O-N 2.86Å; I121-N123 VanDerWaalsContact C-N 3.25Å; I121-N123 PolarHBondContact O-N 2.8Å; N123-V125 PolarHBondContact O-N 2.87Å; N123-K126 PolarHBondContact O-N 3.31Å; N123-Y127 WeakPolarHBondContact O-CD2 3.44Å; N123-Y127 PolarHBondContact O-N 2.86Å
124I98.5Very high98.2Very high0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-57.2-51173.4-63.9171000110.4I28 Y83 V92 I94 I120 I121 K126 Y127 S128 I133I28-I124 HydrophobicContact CD1-CD1 3.37Å; I28-I124 HydrophobicContact CD1-CG1 3.57Å; Y83-I124 HydrophobicContact CE1-CG1 4.3Å; V92-I124 HydrophobicContact CB-CG2 4.13Å; V92-I124 HydrophobicContact CG1-CD1 3.7Å; V92-I124 HydrophobicContact CG1-CG1 4.02Å; V92-I124 HydrophobicContact CG1-CG2 4.18Å; V92-I124 HydrophobicContact CG2-CG2 3.9Å; I94-I124 HydrophobicContact CD1-CD1 3.67Å; I94-I124 HydrophobicContact CG1-CD1 4.09Å; I120-I124 HydrophobicContact CG2-CD1 3.72Å; I120-I124 HydrophobicContact CG2-CG1 4.25Å; I120-I124 PolarHBondContact O-N 2.93Å; I121-I124 HydrophobicContact CD1-CD1 4.17Å; I121-I124 WeakPolarHBondContact O-CB 3.28Å; I121-I124 PolarHBondContact O-N 3.03Å; I121-I124 VanDerWaalsContact O-N 3.13Å; I124-K126 VanDerWaalsContact C-N 3.28Å; I124-K126 PolarHBondContact O-N 2.83Å; I124-Y127 PolarHBondContact O-N 3.08Å; I124-S128 WeakPolarHBondContact O-CA 3.43Å; I124-S128 PolarHBondContact O-N 3.43Å; I124-I133 HydrophobicContact CG2-CD1 4.32Å; I124-I133 HydrophobicContact CG2-CG1 4.28Å
125V98.4Very high98.3Very high38 Ų3845.7 Ų45.723%0.2322%0.223CC..Hα-helixtrans-61-40.2-177.5173.20000111.1I121 N123 P129 F153I121-V125 HydrophobicContact CG2-CG2 4.29Å; I121-V125 WeakPolarHBondContact O-CG2 3.15Å; I121-V125 PolarHBondContact O-N 3.24Å; N123-V125 PolarHBondContact O-N 2.87Å; V125-P129 WeakPolarHBondContact O-CA 3.49Å; V125-F153 HydrophobicContact CB-CE1 4.29Å; V125-F153 HydrophobicContact CG1-CE1 3.92Å; V125-F153 HydrophobicContact CG2-CD1 4.3Å; V125-F153 HydrophobicContact CG2-CE1 3.9Å; V125-F153 HydrophobicContact CG2-CZ 4.12Å
126K98.5Very high98.3Very high143 Ų14342.8 Ų42.862%0.62221%0.208SC*.Hα-helixtrans-60.1-46.3177.8178.3-179.3177.3-176.80112.8P122 N123 I124P122-K126 WeakPolarHBondContact O-CB 2.94Å; P122-K126 PolarHBondContact O-N 2.85Å; N123-K126 PolarHBondContact O-N 3.31Å; I124-K126 VanDerWaalsContact C-N 3.28Å; I124-K126 PolarHBondContact O-N 2.83Å
127Y98.5Very high98.3Very high43 Ų4340.5 Ų40.517%0.16920%0.197CC..Hα-helixtrans-95-21.9-172.9-65.3-67.1000113.6Y83 K84 A87 N88 N123 I124Y83-Y127 WeakPolarHBondContact O-CD2 3.45Å; K84-Y127 HydrophobicContact CB-CE1 4.33Å; K84-Y127 HydrophobicContact CG-CD1 4.3Å; K84-Y127 HydrophobicContact CG-CE1 3.49Å; K84-Y127 VanDerWaalsContact CG-CE1 3.49Å; K84-Y127 HydrophobicContact CG-CE2 4.46Å; K84-Y127 WeakPolarHBondContact CG-OH 3.44Å; A87-Y127 VanDerWaalsContact CA-O 3.28Å; A87-Y127 WeakPolarHBondContact CA-O 3.39Å; N88-Y127 PolarHBondContact N-O 2.83Å; N123-Y127 WeakPolarHBondContact O-CD2 3.44Å; N123-Y127 PolarHBondContact O-N 2.86Å; I124-Y127 PolarHBondContact O-N 3.08Å
128S98.3Very high98.2Very high1 Ų144.6 Ų44.61%0.00722%0.219CC..  trans-135.162.8-178.1-70.10000112.1S86 N88 S89 I124 K130 C131S86-S128 PolarHBondContact O-OG 3.02Å; N88-S128 PolarHBondContact N-OG 2.94Å; S89-S128 WeakPolarHBondContact CB-OG 3.27Å; S89-S128 PolarHBondContact N-OG 3.02Å; I124-S128 WeakPolarHBondContact O-CA 3.43Å; I124-S128 PolarHBondContact O-N 3.43Å; S128-K130 PolarHBondContact O-N 3.25Å; S128-C131 PolarHBondContact O-N 3.04Å; S128-C131 VanDerWaalsContact O-N 3.12Å; S128-C131 PolarHBondContact O-SG 3.29Å
129P97.9Very high98.1Very high72 Ų7243 Ų4347%0.46821%0.214SC..THydrogen-bonded Turntrans-63.3-12.8-176.126.6-36.2000114.1V125 R157V125-P129 WeakPolarHBondContact O-CA 3.49Å; P129-R157 PolarHBondContact O-NH1 3.21Å; P129-R157 VanDerWaalsContact O-NH1 3.16Å; P129-R157 PolarHBondContact O-NH2 2.98Å
130K97.1Very high98.1Very high186 Ų18635.6 Ų35.681%0.80918%0.182SC*.THydrogen-bonded Turntrans-105.3-1-179.8-62.7-178-178177.50114.6S128 R157S128-K130 PolarHBondContact O-N 3.25Å; K130-R157 PolarHBondContact O-NH2 3Å
131C98.5Very high98Very high0 Ų035.3 Ų35.30%018%0.181CC..PPolyproline II helixtrans-73.7162-175.973.30000114.7S89 D90 V92 S128 F153 R157S89-C131 WeakPolarHBondContact O-CB 3.45Å; D90-C131 CarbonylContact O-C 3.56Å; D90-C131 VanDerWaalsContact O-CA 3.24Å; D90-C131 WeakPolarHBondContact O-CA 3.5Å; V92-C131 HydrophobicContact CG2-CB 4.01Å; S128-C131 PolarHBondContact O-N 3.04Å; S128-C131 VanDerWaalsContact O-N 3.12Å; S128-C131 PolarHBondContact O-SG 3.29Å; C131-F153 WeakPolarHBondContact O-CE2 3.29Å; C131-R157 VanDerWaalsContact O-CZ 3.26Å; C131-R157 PolarHBondContact O-NE 3.41Å; C131-R157 PolarHBondContact O-NH2 3Å
132I98.8Very high98Very high11 Ų1135.3 Ų35.36%0.05618%0.181CC..EExtended strand (participates in β ladder)trans-95.9129.7162.2-64.9167000108D90 I91 V92 R157 I159 L263 S297 G299D90-I132 PolarHBondContact O-N 3.42Å; I91-I132 CarbonylContact C-O 3.5Å; I91-I132 WeakPolarHBondContact CA-O 3.41Å; V92-I132 PolarHBondContact N-O 2.92Å; I132-R157 CarbonylContact C-O 3.5Å; I132-R157 WeakPolarHBondContact CA-O 3.24Å; I132-R157 HydrophobicContact CG1-CG 4.5Å; I132-I159 HydrophobicContact CG2-CD1 3.73Å; I132-I159 HydrophobicContact CG2-CG1 4.28Å; I132-L263 HydrophobicContact CD1-CD2 3.87Å; I132-L263 HydrophobicContact CG2-CD1 4.14Å; I132-L263 HydrophobicContact CG2-CD2 4.41Å; I132-S297 WeakPolarHBondContact CD1-O 3.5Å; I132-G299 VanDerWaalsContact CD1-N 3.33Å
133I98.9Very high98Very high0 Ų032.3 Ų32.30%016%0.161CC..EExtended strand (participates in β ladder)trans-90.8124.7176.2-64.7168.5000108.5V92 I94 I124 V135 F153 R157 V158 I159V92-I133 WeakPolarHBondContact O-CA 3.3Å; I94-I133 HydrophobicContact CD1-CG2 3.63Å; I94-I133 HydrophobicContact CG1-CG2 4.23Å; I124-I133 HydrophobicContact CG2-CD1 4.32Å; I124-I133 HydrophobicContact CG2-CG1 4.28Å; I133-V135 HydrophobicContact CG2-CG2 3.94Å; I133-F153 HydrophobicContact CD1-CD2 3.81Å; I133-F153 HydrophobicContact CD1-CE2 3.9Å; I133-F153 HydrophobicContact CG1-CD2 4.25Å; I133-F153 HydrophobicContact CG1-CE2 4.16Å; I133-R157 PolarHBondContact N-O 2.99Å; I133-V158 HydrophobicContact CB-CG1 4.47Å; I133-V158 HydrophobicContact CB-CG2 4.5Å; I133-V158 HydrophobicContact CD1-CG2 4.48Å; I133-V158 HydrophobicContact CG2-CG1 4.46Å; I133-I159 PolarHBondContact O-N 3.42Å
134V98.9Very high98Very high0 Ų029.6 Ų29.60%015%0.147CC..EExtended strand (participates in β ladder)trans-110.5110.5172.9176.20000108.6I91 V92 V93 I94 V136 I159 T161 L259 L263I91-V134 HydrophobicContact CG2-CG2 3.84Å; V92-V134 PolarHBondContact O-N 2.86Å; V93-V134 CarbonylContact C-O 3.47Å; V93-V134 WeakPolarHBondContact CA-O 3.3Å; V93-V134 HydrophobicContact CG2-CB 4.31Å; I94-V134 PolarHBondContact N-O 3.05Å; V134-V136 HydrophobicContact CG1-CG2 4.4Å; V134-I159 CarbonylContact C-O 3.51Å; V134-I159 VanDerWaalsContact CA-O 3.3Å; V134-I159 WeakPolarHBondContact CA-O 3.31Å; V134-T161 HydrophobicContact CG1-CG2 4.08Å; V134-L259 HydrophobicContact CG1-CD2 3.72Å; V134-L259 HydrophobicContact CG2-CD2 4.1Å; V134-L263 HydrophobicContact CG2-CD1 3.98Å
135V98.9Very high98Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-90.1122.9178.6-174.50000109.6F117 I133 V140 L143 A147 I159 G160 T161F117-V135 HydrophobicContact CE1-CG1 4.08Å; F117-V135 HydrophobicContact CE1-CG2 4.48Å; F117-V135 HydrophobicContact CZ-CG1 4.03Å; I133-V135 HydrophobicContact CG2-CG2 3.94Å; V135-V140 HydrophobicContact CG1-CG2 4.37Å; V135-V140 VanDerWaalsContact O-CG2 3.25Å; V135-V140 WeakPolarHBondContact O-CG2 3.5Å; V135-L143 HydrophobicContact CG1-CB 3.99Å; V135-A147 HydrophobicContact CG2-CB 3.77Å; V135-I159 PolarHBondContact N-O 3.38Å; V135-G160 WeakPolarHBondContact O-CA 3.29Å; V135-T161 PolarHBondContact O-N 3.21Å
136V98.6Very high98Very high8 Ų828.6 Ų28.65%0.04814%0.139CC..  trans-111-28.3175.6-171.60000110.8V33 V93 I94 T95 V134 T161 I252V33-V136 HydrophobicContact CG1-CG1 3.79Å; V93-V136 HydrophobicContact CG1-CG2 3.52Å; I94-V136 WeakPolarHBondContact O-CA 3.48Å; I94-V136 WeakPolarHBondContact O-CB 2.97Å; I94-V136 PolarHBondContact O-N 3.37Å; T95-V136 HydrophobicContact CG2-CB 4.12Å; T95-V136 HydrophobicContact CG2-CG2 4.14Å; V134-V136 HydrophobicContact CG1-CG2 4.4Å; V136-T161 HydrophobicContact CB-CG2 4.44Å; V136-T161 HydrophobicContact CG2-CG2 3.84Å; V136-I252 HydrophobicContact CG1-CD1 3.87Å; V136-I252 HydrophobicContact CG1-CG1 3.56Å
137S97.7Very high98Very high8 Ų821.8 Ų21.86%0.05611%0.11CC..SBendtrans-56.4142.2-179.5-53.30000112.1I94 T95 A96 V140I94-S137 PolarHBondContact O-N 3.15Å; I94-S137 VanDerWaalsContact O-N 3.16Å; I94-S137 PolarHBondContact O-OG 2.86Å; T95-S137 VanDerWaalsContact C-OG 3.25Å; A96-S137 PolarHBondContact N-OG 3.42Å; A96-S137 WeakPolarHBondContact O-CB 3.39Å; A96-S137 PolarHBondContact O-OG 3.43Å; S137-V140 WeakPolarHBondContact O-CA 3.3Å; S137-V140 PolarHBondContact O-N 3.04Å
138N95Very high98Very high85 Ų8522.4 Ų22.446%0.45511%0.112SC..SBendtrans-99.7148-177.9-78.2-48.8000113.2V140 L143 H193N138-V140 PolarHBondContact OD1-N 3.45Å; N138-L143 WeakPolarHBondContact O-CD1 3.46Å; N138-H193 PolarHBondContact OD1-CD2 2.87Å
139P95.4Very high97.9Very high22 Ų2227.4 Ų27.414%0.14313%0.133CC..SBendcis-75.4117.4-1.128.1-32000112.3V110 D141 I142 L143V110-P139 HydrophobicContact CG2-CG 3.5Å; P139-D141 PolarHBondContact O-N 3.16Å; P139-I142 HydrophobicContact CB-CD1 4.44Å; P139-I142 HydrophobicContact CG-CB 4.23Å; P139-I142 HydrophobicContact CG-CD1 4.05Å; P139-I142 HydrophobicContact CG-CG1 4.49Å; P139-I142 PolarHBondContact O-N 3.41Å; P139-L143 WeakPolarHBondContact O-CG 3.46Å; P139-L143 PolarHBondContact O-N 2.95Å
140V97.7Very high98Very high1 Ų126.2 Ų26.21%0.00612%0.123CC..Hα-helixtrans-62.3-38.5-162.864.50000113.4V135 S137 N138 L143 T144 H193V135-V140 HydrophobicContact CG1-CG2 4.37Å; V135-V140 VanDerWaalsContact O-CG2 3.25Å; V135-V140 WeakPolarHBondContact O-CG2 3.5Å; S137-V140 WeakPolarHBondContact O-CA 3.3Å; S137-V140 PolarHBondContact O-N 3.04Å; N138-V140 PolarHBondContact OD1-N 3.45Å; V140-L143 PolarHBondContact O-N 3.47Å; V140-T144 VanDerWaalsContact O-CB 3.3Å; V140-T144 WeakPolarHBondContact O-CB 3.31Å; V140-T144 PolarHBondContact O-N 3.41Å; V140-T144 PolarHBondContact O-OG1 2.93Å; V140-H193 HydrophobicContact CG1-CB 3.61Å
141D98.1Very high98Very high4 Ų417.9 Ų17.92%0.0219%0.088CC..Hα-helixtrans-63.9-46.4-178.9-59.4-62.8000112P139 T144 Y145 H193 S274 Y288 L323P139-D141 PolarHBondContact O-N 3.16Å; D141-T144 PolarHBondContact O-N 2.79Å; D141-Y145 PolarHBondContact O-N 2.97Å; D141-H193 PolarHBondContact OD2-N 3.09Å; D141-S274 WeakPolarHBondContact CA-OG 3.3Å; D141-S274 WeakPolarHBondContact OD1-CB 3.5Å; D141-S274 PolarHBondContact OD1-OG 2.99Å; D141-Y288 WeakPolarHBondContact CB-O 3.34Å; D141-Y288 WeakPolarHBondContact O-CB 3.45Å; D141-L323 HydrophobicContact CB-CD1 3.61Å
142I97.4Very high98Very high0 Ų020.5 Ų20.50%012%0.115CC..Hα-helixtrans-68.8-43.5177.9-58.5174.3000110.5V110 P139 T144 Y145 V146 L323 V326 I327 I330V110-I142 HydrophobicContact CG1-CG2 3.76Å; V110-I142 HydrophobicContact CG2-CD1 3.86Å; V110-I142 HydrophobicContact CG2-CG2 4.26Å; P139-I142 HydrophobicContact CB-CD1 4.44Å; P139-I142 HydrophobicContact CG-CB 4.23Å; P139-I142 HydrophobicContact CG-CD1 4.05Å; P139-I142 HydrophobicContact CG-CG1 4.49Å; P139-I142 PolarHBondContact O-N 3.41Å; I142-T144 VanDerWaalsContact C-N 3.26Å; I142-T144 PolarHBondContact O-N 3.46Å; I142-Y145 WeakPolarHBondContact O-CB 3.36Å; I142-Y145 PolarHBondContact O-N 2.82Å; I142-V146 HydrophobicContact CG2-CG2 4.4Å; I142-V146 VanDerWaalsContact O-CG2 3.27Å; I142-V146 WeakPolarHBondContact O-CG2 3.3Å; I142-V146 PolarHBondContact O-N 3.5Å; I142-L323 HydrophobicContact CD1-CD2 3.99Å; I142-L323 HydrophobicContact CG1-CD2 3.85Å; I142-V326 HydrophobicContact CD1-CB 3.83Å; I142-V326 HydrophobicContact CD1-CG1 3.52Å; I142-V326 HydrophobicContact CD1-CG2 4.47Å; I142-I327 HydrophobicContact CG1-CG1 4.49Å; I142-I327 HydrophobicContact CG2-CG1 4.31Å; I142-I330 HydrophobicContact CG2-CD1 3.79Å
143L98.2Very high98Very high0 Ų020.7 Ų20.70%012%0.115CC..Hα-helixtrans-70.2-23.8-179.5-64.9-173.4000112.9N113 F117 V135 N138 P139 V140 A147N113-L143 HydrophobicContact CB-CD1 3.81Å; N113-L143 HydrophobicContact CB-CD2 3.62Å; N113-L143 HydrophobicContact CB-CG 4.36Å; F117-L143 HydrophobicContact CE1-CB 3.93Å; F117-L143 WeakPolarHBondContact CE1-O 3.34Å; F117-L143 HydrophobicContact CE2-CD1 4.12Å; F117-L143 HydrophobicContact CZ-CB 3.98Å; F117-L143 HydrophobicContact CZ-CD1 4.06Å; F117-L143 HydrophobicContact CZ-CG 4.48Å; V135-L143 HydrophobicContact CG1-CB 3.99Å; N138-L143 WeakPolarHBondContact O-CD1 3.46Å; P139-L143 WeakPolarHBondContact O-CG 3.46Å; P139-L143 PolarHBondContact O-N 2.95Å; V140-L143 PolarHBondContact O-N 3.47Å; L143-A147 VanDerWaalsContact O-CB 3.3Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.84Å
144T98.7Very high97.9Very high0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-69.9-45.6170.4-54.50000110.9V140 D141 I142 V146 A147 R148 V158 G160 Y288V140-T144 VanDerWaalsContact O-CB 3.3Å; V140-T144 WeakPolarHBondContact O-CB 3.31Å; V140-T144 PolarHBondContact O-N 3.41Å; V140-T144 PolarHBondContact O-OG1 2.93Å; D141-T144 PolarHBondContact O-N 2.79Å; I142-T144 VanDerWaalsContact C-N 3.26Å; I142-T144 PolarHBondContact O-N 3.46Å; T144-V146 VanDerWaalsContact C-N 3.32Å; T144-V146 PolarHBondContact O-N 3.06Å; T144-A147 PolarHBondContact O-N 3Å; T144-R148 PolarHBondContact O-N 3.27Å; T144-V158 HydrophobicContact CG2-CG1 4.04Å; T144-G160 VanDerWaalsContact CG2-N 3.35Å; T144-G160 WeakPolarHBondContact OG1-CA 3.16Å; T144-G160 PolarHBondContact OG1-N 3.25Å; T144-Y288 HydrophobicContact CG2-CD1 3.38Å; T144-Y288 HydrophobicContact CG2-CE1 3.53Å; T144-Y288 HydrophobicContact CG2-CG 4.4Å
145Y98.3Very high97.8Very high17 Ų1727.8 Ų27.87%0.06715%0.153CC..Hα-helixtrans-57.6-44.3171.6170.1-96.2000111.8D141 I142 R148 K149 D286 Y288 I327 W332D141-Y145 PolarHBondContact O-N 2.97Å; I142-Y145 WeakPolarHBondContact O-CB 3.36Å; I142-Y145 PolarHBondContact O-N 2.82Å; Y145-R148 WeakPolarHBondContact O-CB 3.46Å; Y145-R148 PolarHBondContact O-N 3.31Å; Y145-K149 HydrophobicContact CE1-CD 4.44Å; Y145-K149 HydrophobicContact CE1-CG 4.2Å; Y145-K149 HydrophobicContact CE2-CD 4.37Å; Y145-K149 HydrophobicContact CE2-CG 4.21Å; Y145-K149 VanDerWaalsContact CZ-CE 3.42Å; Y145-K149 WeakPolarHBondContact O-CG 3.42Å; Y145-K149 PolarHBondContact O-N 3.29Å; Y145-K149 WeakPolarHBondContact OH-CE 3.26Å; Y145-K149 PolarHBondContact OH-NZ 3.43Å; Y145-D286 WeakPolarHBondContact CE2-O 3.26Å; Y145-Y288 AromaticContact CD2-CD2 3.98Å; Y145-Y288 HydrophobicContact CD2-CD2 3.98Å; Y145-Y288 HydrophobicContact CD2-CE2 4.18Å; Y145-Y288 HydrophobicContact CG-CD2 4.36Å; Y145-I327 HydrophobicContact CD1-CD1 4.19Å; Y145-I327 HydrophobicContact CD1-CG1 4.08Å; Y145-I327 HydrophobicContact CD1-CG2 4.02Å; Y145-I327 HydrophobicContact CE1-CB 4.43Å; Y145-I327 HydrophobicContact CE1-CG1 4.28Å; Y145-I327 HydrophobicContact CE1-CG2 3.36Å; Y145-I327 HydrophobicContact CE2-CG2 4.43Å; Y145-I327 HydrophobicContact CG-CD1 4.19Å; Y145-W332 HydrophobicContact CD1-CZ2 4.49Å; Y145-W332 HydrophobicContact CE1-CH2 4.23Å; Y145-W332 AromaticContact CE1-CZ2 3.77Å; Y145-W332 HydrophobicContact CE1-CZ2 3.77Å
146V98.3Very high97.8Very high0 Ų031.1 Ų31.10%017%0.169CC..Hα-helixtrans-62.8-46.5176.8172.30000111.6V114 F117 I142 T144 R148 K149 L150 I330 W332V114-V146 HydrophobicContact CG1-CG1 4.48Å; V114-V146 HydrophobicContact CG2-CG1 4.06Å; V114-V146 HydrophobicContact CG2-CG2 3.7Å; F117-V146 HydrophobicContact CB-CG1 4.1Å; F117-V146 HydrophobicContact CD1-CG1 4.33Å; I142-V146 HydrophobicContact CG2-CG2 4.4Å; I142-V146 VanDerWaalsContact O-CG2 3.27Å; I142-V146 WeakPolarHBondContact O-CG2 3.3Å; I142-V146 PolarHBondContact O-N 3.5Å; T144-V146 VanDerWaalsContact C-N 3.32Å; T144-V146 PolarHBondContact O-N 3.06Å; V146-R148 VanDerWaalsContact C-N 3.28Å; V146-R148 PolarHBondContact O-N 3.41Å; V146-K149 PolarHBondContact O-N 3.24Å; V146-L150 HydrophobicContact CG1-CD1 3.64Å; V146-L150 HydrophobicContact CG1-CG 4.22Å; V146-L150 WeakPolarHBondContact O-CB 3.33Å; V146-L150 WeakPolarHBondContact O-CG 3.44Å; V146-L150 PolarHBondContact O-N 3.11Å; V146-I330 HydrophobicContact CG2-CD1 3.93Å; V146-W332 HydrophobicContact CB-CH2 4.38Å; V146-W332 HydrophobicContact CG1-CH2 4.4Å; V146-W332 HydrophobicContact CG1-CZ3 4.3Å; V146-W332 HydrophobicContact CG2-CH2 4.06Å
147A98.7Very high97.8Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-58.3-41.6175.400000111.4F117 I121 V135 L143 T144 S151 V158F117-A147 HydrophobicContact CD1-CB 4.19Å; F117-A147 HydrophobicContact CE1-CB 4.13Å; I121-A147 HydrophobicContact CD1-CB 3.76Å; I121-A147 HydrophobicContact CG1-CB 4.44Å; V135-A147 HydrophobicContact CG2-CB 3.77Å; L143-A147 VanDerWaalsContact O-CB 3.3Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.84Å; T144-A147 PolarHBondContact O-N 3Å; A147-S151 WeakPolarHBondContact O-CB 3.34Å; A147-S151 PolarHBondContact O-N 2.93Å; A147-S151 PolarHBondContact O-OG 3.41Å; A147-V158 HydrophobicContact CB-CG1 3.85Å
148R98.3Very high97.8Very high55 Ų5532.6 Ų32.621%0.20817%0.173CC..Hα-helixtrans-63-44.4177.8174.964.4-179.999.9-3.9112.3T144 Y145 V146 S151 G152 E154 A155 V158 Y288T144-R148 PolarHBondContact O-N 3.27Å; Y145-R148 WeakPolarHBondContact O-CB 3.46Å; Y145-R148 PolarHBondContact O-N 3.31Å; V146-R148 VanDerWaalsContact C-N 3.28Å; V146-R148 PolarHBondContact O-N 3.41Å; R148-S151 PolarHBondContact O-OG 3.48Å; R148-G152 PolarHBondContact NH1-O 2.95Å; R148-G152 PolarHBondContact O-N 3.31Å; R148-E154 VanDerWaalsContact CZ-C 3.5Å; R148-E154 VanDerWaalsContact CZ-CA 3.45Å; R148-E154 VanDerWaalsContact NE-C 3.25Å; R148-E154 VanDerWaalsContact NH2-N 3.17Å; R148-A155 VanDerWaalsContact NE-CA 3.35Å; R148-A155 VanDerWaalsContact NE-N 3.2Å; R148-V158 HydrophobicContact CB-CB 4.18Å; R148-V158 HydrophobicContact CB-CG1 4.09Å; R148-V158 HydrophobicContact CB-CG2 4.39Å; R148-Y288 HydrophobicContact CB-CE2 4.49Å; R148-Y288 VanDerWaalsContact CG-OH 3.28Å; R148-Y288 WeakPolarHBondContact CG-OH 3.31Å
149K97.6Very high98Very high107 Ų10728.6 Ų28.647%0.46515%0.151SC..Hα-helixtrans-65.3-46.8178.6-71.9-111.3163.2158.60111.6Y145 V146 D286 W332Y145-K149 HydrophobicContact CE1-CD 4.44Å; Y145-K149 HydrophobicContact CE1-CG 4.2Å; Y145-K149 HydrophobicContact CE2-CD 4.37Å; Y145-K149 HydrophobicContact CE2-CG 4.21Å; Y145-K149 VanDerWaalsContact CZ-CE 3.42Å; Y145-K149 WeakPolarHBondContact O-CG 3.42Å; Y145-K149 PolarHBondContact O-N 3.29Å; Y145-K149 WeakPolarHBondContact OH-CE 3.26Å; Y145-K149 PolarHBondContact OH-NZ 3.43Å; V146-K149 PolarHBondContact O-N 3.24Å; K149-D286 IonicContact NZ-OD2 3.69Å; K149-W332 HydrophobicContact CB-CH2 3.58Å; K149-W332 HydrophobicContact CB-CZ2 4.44Å; K149-W332 HydrophobicContact CB-CZ3 3.88Å; K149-W332 HydrophobicContact CD-CH2 4.29Å; K149-W332 HydrophobicContact CD-CZ2 4.34Å; K149-W332 HydrophobicContact CG-CH2 3.91Å; K149-W332 HydrophobicContact CG-CZ2 4.37Å
150L98.3Very high98.2Very high47 Ų4727.5 Ų27.525%0.24614%0.144CC..Hα-helixtrans-71.8-28.1-178.1-67174.9000113.8F117 K118 I121 V146 W332F117-L150 HydrophobicContact CB-CD1 3.84Å; K118-L150 HydrophobicContact CG-CD1 4.11Å; K118-L150 HydrophobicContact CG-CD2 3.98Å; I121-L150 HydrophobicContact CB-CB 3.88Å; I121-L150 HydrophobicContact CB-CD1 4.4Å; I121-L150 HydrophobicContact CG1-CB 4.26Å; I121-L150 HydrophobicContact CG1-CD1 4.2Å; I121-L150 HydrophobicContact CG2-CB 3.69Å; V146-L150 HydrophobicContact CG1-CD1 3.64Å; V146-L150 HydrophobicContact CG1-CG 4.22Å; V146-L150 WeakPolarHBondContact O-CB 3.33Å; V146-L150 WeakPolarHBondContact O-CG 3.44Å; V146-L150 PolarHBondContact O-N 3.11Å; L150-W332 HydrophobicContact CD2-CE3 4.36Å; L150-W332 HydrophobicContact CD2-CZ3 4.12Å; L150-W332 HydrophobicContact CG-CZ3 4.18Å
151S98.3Very high98.2Very high11 Ų1127.8 Ų27.88%0.07715%0.146CC..Hα-helixtrans-86.4-27-177.654.50000114.3A147 R148 F153A147-S151 WeakPolarHBondContact O-CB 3.34Å; A147-S151 PolarHBondContact O-N 2.93Å; A147-S151 PolarHBondContact O-OG 3.41Å; R148-S151 PolarHBondContact O-OG 3.48Å; S151-F153 PolarHBondContact O-N 3.31Å; S151-F153 WeakPolarHBondContact OG-CB 3.46Å
152G97.7Very high98.2Very high54 Ų5427.7 Ų27.756%0.55715%0.146SC*.  trans728.7-172.700000114.7R148 E154R148-G152 PolarHBondContact NH1-O 2.95Å; R148-G152 PolarHBondContact O-N 3.31Å; G152-E154 PolarHBondContact O-N 3.32Å
153F98.4Very high98.2Very high16 Ų1627.7 Ų27.77%0.0715%0.146CC..  trans-79.421.9-156.4-108.226.7000124.4V125 C131 I133 S151 R157 V158V125-F153 HydrophobicContact CB-CE1 4.29Å; V125-F153 HydrophobicContact CG1-CE1 3.92Å; V125-F153 HydrophobicContact CG2-CD1 4.3Å; V125-F153 HydrophobicContact CG2-CE1 3.9Å; V125-F153 HydrophobicContact CG2-CZ 4.12Å; C131-F153 WeakPolarHBondContact O-CE2 3.29Å; I133-F153 HydrophobicContact CD1-CD2 3.81Å; I133-F153 HydrophobicContact CD1-CE2 3.9Å; I133-F153 HydrophobicContact CG1-CD2 4.25Å; I133-F153 HydrophobicContact CG1-CE2 4.16Å; S151-F153 PolarHBondContact O-N 3.31Å; S151-F153 WeakPolarHBondContact OG-CB 3.46Å; F153-R157 HydrophobicContact CD2-CB 4.37Å; F153-R157 VanDerWaalsContact CZ-NH2 3.25Å; F153-V158 HydrophobicContact CB-CG2 3.81Å; F153-V158 HydrophobicContact CD2-CG2 4.48Å
154E97.8Very high98.3Very high117 Ų11728.5 Ų28.555%0.54715%0.15SC..  trans55.9135.5-162.5-58.9-49.2132.400114.4R148 G152 H156 R157R148-E154 VanDerWaalsContact CZ-C 3.5Å; R148-E154 VanDerWaalsContact CZ-CA 3.45Å; R148-E154 VanDerWaalsContact NE-C 3.25Å; R148-E154 VanDerWaalsContact NH2-N 3.17Å; G152-E154 PolarHBondContact O-N 3.32Å; E154-H156 VanDerWaalsContact C-N 3.29Å; E154-H156 PolarHBondContact O-N 2.9Å; E154-R157 PolarHBondContact O-N 3.49Å
155A97.1Very high98.2Very high31 Ų3129.5 Ų29.526%0.25616%0.155SC..G310 helixtrans-68.6-30-167.500000113.6R148 R157 V158 P276R148-A155 VanDerWaalsContact NE-CA 3.35Å; R148-A155 VanDerWaalsContact NE-N 3.2Å; A155-R157 PolarHBondContact O-N 3.18Å; A155-V158 PolarHBondContact O-N 2.98Å; A155-P276 HydrophobicContact CB-CG 3.8Å
156H98.1Very high98.2Very high71 Ų7128.9 Ų28.933%0.32915%0.153SC..G310 helixtrans-66.5-16.4-179.571.585.7000113.9E154 S298 G299 I300E154-H156 VanDerWaalsContact C-N 3.29Å; E154-H156 PolarHBondContact O-N 2.9Å; H156-S298 PolarHBondContact CE1-O 3.47Å; H156-S298 PolarHBondContact ND1-O 2.88Å; H156-G299 WeakPolarHBondContact O-CA 3.47Å; H156-I300 HydrophobicContact CB-CB 4.49Å; H156-I300 VanDerWaalsContact CB-O 3.26Å; H156-I300 WeakPolarHBondContact CB-O 3.32Å; H156-I300 PolarHBondContact O-N 3.46Å
157R98.5Very high98.2Very high47 Ų4729.1 Ų29.118%0.17715%0.154CC..G310 helixtrans-98.5-0.5-179.3-61.8-179.754.4-160.5-15.2114P129 K130 C131 I132 I133 F153 E154 A155P129-R157 PolarHBondContact O-NH1 3.21Å; P129-R157 VanDerWaalsContact O-NH1 3.16Å; P129-R157 PolarHBondContact O-NH2 2.98Å; K130-R157 PolarHBondContact O-NH2 3Å; C131-R157 VanDerWaalsContact O-CZ 3.26Å; C131-R157 PolarHBondContact O-NE 3.41Å; C131-R157 PolarHBondContact O-NH2 3Å; I132-R157 CarbonylContact C-O 3.5Å; I132-R157 WeakPolarHBondContact CA-O 3.24Å; I132-R157 HydrophobicContact CG1-CG 4.5Å; I133-R157 PolarHBondContact N-O 2.99Å; F153-R157 HydrophobicContact CD2-CB 4.37Å; F153-R157 VanDerWaalsContact CZ-NH2 3.25Å; E154-R157 PolarHBondContact O-N 3.49Å; A155-R157 PolarHBondContact O-N 3.18Å
158V98.7Very high98.2Very high0 Ų031.5 Ų31.50%017%0.174CC..EExtended strand (participates in β ladder)trans-124.6107.8179.5-1730000109I133 T144 A147 R148 F153 A155I133-V158 HydrophobicContact CB-CG1 4.47Å; I133-V158 HydrophobicContact CB-CG2 4.5Å; I133-V158 HydrophobicContact CD1-CG2 4.48Å; I133-V158 HydrophobicContact CG2-CG1 4.46Å; T144-V158 HydrophobicContact CG2-CG1 4.04Å; A147-V158 HydrophobicContact CB-CG1 3.85Å; R148-V158 HydrophobicContact CB-CB 4.18Å; R148-V158 HydrophobicContact CB-CG1 4.09Å; R148-V158 HydrophobicContact CB-CG2 4.39Å; F153-V158 HydrophobicContact CB-CG2 3.81Å; F153-V158 HydrophobicContact CD2-CG2 4.48Å; A155-V158 PolarHBondContact O-N 2.98Å
159I98.6Very high98.2Very high0 Ų030.2 Ų30.20%017%0.169CC..EExtended strand (participates in β ladder)trans-124.8132.2-166.3-52.7175.6000108.2I132 I133 V134 V135 L259 L263 L273 I300I132-I159 HydrophobicContact CG2-CD1 3.73Å; I132-I159 HydrophobicContact CG2-CG1 4.28Å; I133-I159 PolarHBondContact O-N 3.42Å; V134-I159 CarbonylContact C-O 3.51Å; V134-I159 VanDerWaalsContact CA-O 3.3Å; V134-I159 WeakPolarHBondContact CA-O 3.31Å; V135-I159 PolarHBondContact N-O 3.38Å; I159-L259 HydrophobicContact CG2-CD2 4.43Å; I159-L263 HydrophobicContact CD1-CD2 4.25Å; I159-L273 HydrophobicContact CG2-CB 4.02Å; I159-L273 HydrophobicContact CG2-CD1 3.86Å; I159-L273 HydrophobicContact CG2-CD2 4.28Å; I159-L273 HydrophobicContact CG2-CG 4.28Å; I159-I300 HydrophobicContact CD1-CD1 3.6Å; I159-I300 HydrophobicContact CD1-CG1 3.81Å; I159-I300 HydrophobicContact CG1-CD1 3.94Å; I159-I300 HydrophobicContact CG1-CG1 3.78Å; I159-I300 HydrophobicContact CG2-CD1 4.11Å
160G98.8Very high98.2Very high0 Ų025.1 Ų25.10%015%0.147CC..EExtended strand (participates in β ladder)trans-96.9145.5167.200000111.1V135 T144 G162 S274V135-G160 WeakPolarHBondContact O-CA 3.29Å; T144-G160 VanDerWaalsContact CG2-N 3.35Å; T144-G160 WeakPolarHBondContact OG1-CA 3.16Å; T144-G160 PolarHBondContact OG1-N 3.25Å; G160-G162 PolarHBondContact O-N 3.16Å; G160-G162 VanDerWaalsContact O-N 3.15Å; G160-S274 PolarHBondContact N-O 2.94Å; G160-S274 PolarHBondContact O-N 2.9Å
161T98.6Very high98.2Very high6 Ų626.3 Ų26.34%0.03715%0.148CC..  trans-59.9-25.7175.153.70000112.7V134 V135 V136 T163 M164 I252V134-T161 HydrophobicContact CG1-CG2 4.08Å; V135-T161 PolarHBondContact O-N 3.21Å; V136-T161 HydrophobicContact CB-CG2 4.44Å; V136-T161 HydrophobicContact CG2-CG2 3.84Å; T161-T163 PolarHBondContact O-N 2.81Å; T161-M164 WeakPolarHBondContact O-CB 3.05Å; T161-M164 PolarHBondContact O-N 3.41Å; T161-M164 VanDerWaalsContact O-N 3.14Å; T161-I252 HydrophobicContact CG2-CD1 4.44Å
162G98.1Very high98.2Very high2 Ų230.9 Ų30.92%0.02117%0.167CC..THydrogen-bonded Turntrans51.3-135.7171.100000112.8G160 M164 S290G160-G162 PolarHBondContact O-N 3.16Å; G160-G162 VanDerWaalsContact O-N 3.15Å; G162-M164 VanDerWaalsContact C-N 3.3Å; G162-M164 PolarHBondContact O-N 2.98Å; G162-S290 WeakPolarHBondContact CA-OG 3.31Å
163T98.3Very high98.2Very high0 Ų029.8 Ų29.80%015%0.148CC..THydrogen-bonded Turntrans-89.118.3-179.860.20000113.8T161 L165 D166 S167 V189 H193 S290T161-T163 PolarHBondContact O-N 2.81Å; T163-L165 VanDerWaalsContact C-N 3.35Å; T163-L165 PolarHBondContact O-N 3.49Å; T163-D166 PolarHBondContact O-N 3.34Å; T163-S167 WeakPolarHBondContact O-CB 3.35Å; T163-S167 PolarHBondContact O-N 3.16Å; T163-S167 PolarHBondContact O-OG 3.41Å; T163-V189 WeakPolarHBondContact CB-O 3.38Å; T163-V189 HydrophobicContact CG2-CG1 4.18Å; T163-V189 PolarHBondContact OG1-O 3.25Å; T163-H193 HydrophobicContact CG2-CB 4.47Å; T163-S290 PolarHBondContact N-OG 3.27Å; T163-S290 WeakPolarHBondContact OG1-CB 3.19Å; T163-S290 PolarHBondContact OG1-OG 3.21Å
164M98.5Very high98.2Very high18 Ų1829 Ų299%0.08915%0.145CC..Hα-helixtrans-59.3-45.4177-174.1176.3168.600111.7T161 G162 A168 T255 L259 Y271 P272 L273T161-M164 WeakPolarHBondContact O-CB 3.05Å; T161-M164 PolarHBondContact O-N 3.41Å; T161-M164 VanDerWaalsContact O-N 3.14Å; G162-M164 VanDerWaalsContact C-N 3.3Å; G162-M164 PolarHBondContact O-N 2.98Å; M164-A168 PolarHBondContact O-N 3.05Å; M164-A168 VanDerWaalsContact O-N 3.15Å; M164-T255 HydrophobicContact CB-CG2 3.93Å; M164-T255 HydrophobicContact CE-CG2 4.12Å; M164-T255 HydrophobicContact CG-CG2 3.73Å; M164-T255 HydrophobicContact SD-CG2 3.58Å; M164-T255 VanDerWaalsContact SD-CG2 3.58Å; M164-L259 HydrophobicContact SD-CB 4.36Å; M164-Y271 HydrophobicContact CE-CD1 3.46Å; M164-Y271 VanDerWaalsContact CE-CD1 3.46Å; M164-Y271 HydrophobicContact CE-CD2 4.28Å; M164-Y271 HydrophobicContact CE-CE1 3.46Å; M164-Y271 VanDerWaalsContact CE-CE1 3.46Å; M164-Y271 HydrophobicContact CE-CE2 4.27Å; M164-Y271 HydrophobicContact CE-CG 3.89Å; M164-Y271 HydrophobicContact CG-CD1 4.34Å; M164-Y271 HydrophobicContact SD-CD1 3.99Å; M164-Y271 HydrophobicContact SD-CD2 4.42Å; M164-Y271 HydrophobicContact SD-CG 3.93Å; M164-P272 WeakPolarHBondContact CA-O 3.45Å; M164-P272 WeakPolarHBondContact CB-O 3.22Å; M164-P272 PolarHBondContact N-O 3.3Å; M164-L273 HydrophobicContact CB-CD2 4.2Å; M164-L273 HydrophobicContact SD-CD2 4.04Å
165L98.2Very high98.2Very high20 Ų2023.5 Ų23.511%0.10512%0.119CC..Hα-helixtrans-70.3-38176.2176.557.6000111.8T163 S167 A168 R169 A251 I252T163-L165 VanDerWaalsContact C-N 3.35Å; T163-L165 PolarHBondContact O-N 3.49Å; L165-S167 VanDerWaalsContact C-N 3.34Å; L165-S167 PolarHBondContact O-N 3.43Å; L165-A168 WeakPolarHBondContact O-CB 3.49Å; L165-A168 PolarHBondContact O-N 3.27Å; L165-R169 HydrophobicContact CD1-CG 4.42Å; L165-R169 WeakPolarHBondContact O-CG 3.18Å; L165-R169 PolarHBondContact O-N 2.62Å; L165-A251 HydrophobicContact CD1-CB 3.59Å; L165-A251 HydrophobicContact CD2-CB 4.4Å; L165-I252 HydrophobicContact CD2-CB 4.12Å; L165-I252 HydrophobicContact CD2-CD1 4.43Å
166D98Very high98.3Very high5 Ų528.5 Ų28.53%0.02714%0.137CC..Hα-helixtrans-65.4-40.7179.6-61.6-18.5000111.1T163 A168 R169 F170 V189 H193 V234T163-D166 PolarHBondContact O-N 3.34Å; D166-A168 VanDerWaalsContact C-N 3.32Å; D166-A168 PolarHBondContact O-N 3.28Å; D166-R169 PolarHBondContact O-N 2.76Å; D166-R169 IonicContact OD1-NH1 3.56Å; D166-F170 VanDerWaalsContact O-CB 3.31Å; D166-F170 WeakPolarHBondContact O-CB 3.44Å; D166-F170 PolarHBondContact O-N 3.24Å; D166-V189 HydrophobicContact CB-CB 4.18Å; D166-V189 HydrophobicContact CB-CG1 4.06Å; D166-H193 IonicContact OD1-CE1 3.08Å; D166-H193 PolarHBondContact OD1-CE1 3.18Å; D166-H193 IonicContact OD1-ND1 3.37Å; D166-H193 IonicContact OD2-CE1 2.71Å; D166-H193 PolarHBondContact OD2-CE1 2.86Å; D166-H193 IonicContact OD2-CG 2.98Å; D166-H193 IonicContact OD2-ND1 2.61Å; D166-H193 PolarHBondContact OD2-ND1 3.31Å; D166-V234 HydrophobicContact CB-CG1 3.78Å; D166-V234 WeakPolarHBondContact O-CG1 3.25Å
167S98.3Very high98.2Very high5 Ų529.2 Ų29.24%0.03514%0.139CC..Hα-helixtrans-64.6-36.5173.2-62.50000112T163 L165 F170 R171 V189 P272T163-S167 WeakPolarHBondContact O-CB 3.35Å; T163-S167 PolarHBondContact O-N 3.16Å; T163-S167 PolarHBondContact O-OG 3.41Å; L165-S167 VanDerWaalsContact C-N 3.34Å; L165-S167 PolarHBondContact O-N 3.43Å; S167-F170 PolarHBondContact O-N 2.84Å; S167-R171 WeakPolarHBondContact O-CB 3.42Å; S167-R171 WeakPolarHBondContact O-CG 3.22Å; S167-R171 PolarHBondContact O-N 2.59Å; S167-V189 PolarHBondContact OG-N 2.95Å; S167-V189 PolarHBondContact OG-O 3.21Å; S167-V189 VanDerWaalsContact OG-O 3.06Å; S167-P272 VanDerWaalsContact OG-CG 3.25Å; S167-P272 WeakPolarHBondContact OG-CG 3.17Å
168A98.2Very high98.1Very high49 Ų4930 Ų3041%0.40515%0.147SC..Hα-helixtrans-65.1-42.8173.900000112M164 L165 D166 R171 F172M164-A168 PolarHBondContact O-N 3.05Å; M164-A168 VanDerWaalsContact O-N 3.15Å; L165-A168 WeakPolarHBondContact O-CB 3.49Å; L165-A168 PolarHBondContact O-N 3.27Å; D166-A168 VanDerWaalsContact C-N 3.32Å; D166-A168 PolarHBondContact O-N 3.28Å; A168-R171 PolarHBondContact O-N 2.92Å; A168-F172 WeakPolarHBondContact O-CB 3.4Å; A168-F172 PolarHBondContact O-N 2.82Å
169R97.9Very high98Very high29 Ų2933.4 Ų33.411%0.10918%0.182CC..Hα-helixtrans-62.9-42.9173.8-71.8170.1171.4161.5-6.6111.8L165 D166 R171 F172 L173 V234L165-R169 HydrophobicContact CD1-CG 4.42Å; L165-R169 WeakPolarHBondContact O-CG 3.18Å; L165-R169 PolarHBondContact O-N 2.62Å; D166-R169 PolarHBondContact O-N 2.76Å; D166-R169 IonicContact OD1-NH1 3.56Å; R169-R171 PolarHBondContact O-N 3.15Å; R169-F172 WeakPolarHBondContact O-CB 3.4Å; R169-F172 PolarHBondContact O-N 3.11Å; R169-L173 WeakPolarHBondContact O-CG 3.26Å; R169-L173 PolarHBondContact O-N 3.49Å; R169-V234 HydrophobicContact CB-CG1 4.21Å; R169-V234 HydrophobicContact CB-CG2 4.12Å
170F98.2Very high98Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-59.2-48.2177.8-174.2-120.9000111.5D166 S167 F172 L173 L174 V189 A199 W201 V204 I230 V234D166-F170 VanDerWaalsContact O-CB 3.31Å; D166-F170 WeakPolarHBondContact O-CB 3.44Å; D166-F170 PolarHBondContact O-N 3.24Å; S167-F170 PolarHBondContact O-N 2.84Å; F170-F172 VanDerWaalsContact C-N 3.34Å; F170-F172 PolarHBondContact O-N 2.83Å; F170-L173 PolarHBondContact O-N 3.07Å; F170-L174 HydrophobicContact CD1-CD1 3.79Å; F170-L174 HydrophobicContact CD2-CD1 4.35Å; F170-L174 HydrophobicContact CE1-CD1 3.49Å; F170-L174 VanDerWaalsContact CE1-CD1 3.49Å; F170-L174 HydrophobicContact CE2-CD1 4.07Å; F170-L174 HydrophobicContact CE2-CG 4.42Å; F170-L174 HydrophobicContact CG-CD1 4.22Å; F170-L174 HydrophobicContact CZ-CD1 3.64Å; F170-L174 HydrophobicContact CZ-CG 4.4Å; F170-L174 WeakPolarHBondContact O-CB 3.43Å; F170-L174 WeakPolarHBondContact O-CG 3.4Å; F170-L174 PolarHBondContact O-N 3.38Å; F170-V189 HydrophobicContact CB-CG2 3.73Å; F170-V189 HydrophobicContact CD1-CG2 4.13Å; F170-V189 HydrophobicContact CD2-CG2 4.29Å; F170-V189 HydrophobicContact CG-CG2 3.81Å; F170-A199 HydrophobicContact CE2-CB 4.16Å; F170-A199 HydrophobicContact CZ-CB 4.08Å; F170-W201 AromaticContact CE2-CH2 3.51Å; F170-W201 HydrophobicContact CE2-CH2 3.51Å; F170-W201 AromaticContact CE2-CZ2 3.75Å; F170-W201 HydrophobicContact CE2-CZ2 3.75Å; F170-W201 HydrophobicContact CE2-CZ3 4.08Å; F170-W201 HydrophobicContact CZ-CD2 4.38Å; F170-W201 HydrophobicContact CZ-CE3 4.07Å; F170-W201 AromaticContact CZ-CH2 3.58Å; F170-W201 HydrophobicContact CZ-CH2 3.58Å; F170-W201 AromaticContact CZ-CZ2 3.92Å; F170-W201 HydrophobicContact CZ-CZ2 3.92Å; F170-W201 AromaticContact CZ-CZ3 3.67Å; F170-W201 HydrophobicContact CZ-CZ3 3.67Å; F170-V204 HydrophobicContact CE1-CG2 3.76Å; F170-V204 HydrophobicContact CZ-CG2 4.05Å; F170-I230 HydrophobicContact CD2-CG2 3.72Å; F170-I230 HydrophobicContact CE2-CB 4.46Å; F170-I230 HydrophobicContact CE2-CG2 3.84Å; F170-V234 HydrophobicContact CB-CG2 3.83Å; F170-V234 HydrophobicContact CD2-CG2 4.06Å; F170-V234 HydrophobicContact CG-CG2 4.47Å
171R98.4Very high98Very high71 Ų7139.1 Ų39.127%0.26822%0.219SC..Hα-helixtrans-63.8-36.9176-68.8169.566.6-169.23.8112.7S167 A168 R169 G175 A182 N183 V185S167-R171 WeakPolarHBondContact O-CB 3.42Å; S167-R171 WeakPolarHBondContact O-CG 3.22Å; S167-R171 PolarHBondContact O-N 2.59Å; A168-R171 PolarHBondContact O-N 2.92Å; R169-R171 PolarHBondContact O-N 3.15Å; R171-G175 PolarHBondContact O-N 2.93Å; R171-A182 HydrophobicContact CB-CB 4.42Å; R171-A182 PolarHBondContact NE-O 3.22Å; R171-A182 PolarHBondContact NH2-O 3.5Å; R171-N183 PolarHBondContact NH2-O 3.16Å; R171-V185 HydrophobicContact CB-CB 4.46Å; R171-V185 HydrophobicContact CG-CG1 4.48Å; R171-V185 PolarHBondContact NE-O 2.63Å; R171-V185 PolarHBondContact NH2-O 2.86Å
172F98.4Very high97.9Very high107 Ų10740.2 Ų40.247%0.46923%0.229SC..Hα-helixtrans-61.9-54.1174.5168.6-102.1000111.7A168 R169 F170 L174 G175 E176 A182A168-F172 WeakPolarHBondContact O-CB 3.4Å; A168-F172 PolarHBondContact O-N 2.82Å; R169-F172 WeakPolarHBondContact O-CB 3.4Å; R169-F172 PolarHBondContact O-N 3.11Å; F170-F172 VanDerWaalsContact C-N 3.34Å; F170-F172 PolarHBondContact O-N 2.83Å; F172-L174 VanDerWaalsContact C-N 3.35Å; F172-L174 PolarHBondContact O-N 3.3Å; F172-G175 WeakPolarHBondContact O-CA 3.28Å; F172-G175 PolarHBondContact O-N 3.46Å; F172-E176 HydrophobicContact CD2-CG 4.3Å; F172-E176 HydrophobicContact CE1-CG 4.09Å; F172-E176 HydrophobicContact CE2-CG 3.77Å; F172-E176 HydrophobicContact CZ-CG 3.65Å; F172-E176 PolarHBondContact O-N 3.17Å; F172-A182 HydrophobicContact CB-CB 4.46Å
173L98Very high97.9Very high32 Ų3246 Ų4617%0.16826%0.259CS..Hα-helixtrans-64.7-38-178.1-67.5172.1000112.6R169 F170 G175 K177 I230 Q233 V234R169-L173 WeakPolarHBondContact O-CG 3.26Å; R169-L173 PolarHBondContact O-N 3.49Å; F170-L173 PolarHBondContact O-N 3.07Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-K177 WeakPolarHBondContact O-CB 3.48Å; L173-K177 PolarHBondContact O-N 3.08Å; L173-I230 HydrophobicContact CB-CG2 3.64Å; L173-I230 HydrophobicContact CD1-CG2 4.17Å; L173-Q233 HydrophobicContact CD1-CB 3.68Å; L173-V234 HydrophobicContact CD1-CG2 3.88Å
174L97.8Very high97.9Very high0 Ų048.8 Ų48.80%028%0.279CS..Hα-helixtrans-62-42.3170.5-78.6169000111.8F170 F172 K177 L178 V185 W201 V204 L211 F227 I230F170-L174 HydrophobicContact CD1-CD1 3.79Å; F170-L174 HydrophobicContact CD2-CD1 4.35Å; F170-L174 HydrophobicContact CE1-CD1 3.49Å; F170-L174 VanDerWaalsContact CE1-CD1 3.49Å; F170-L174 HydrophobicContact CE2-CD1 4.07Å; F170-L174 HydrophobicContact CE2-CG 4.42Å; F170-L174 HydrophobicContact CG-CD1 4.22Å; F170-L174 HydrophobicContact CZ-CD1 3.64Å; F170-L174 HydrophobicContact CZ-CG 4.4Å; F170-L174 WeakPolarHBondContact O-CB 3.43Å; F170-L174 WeakPolarHBondContact O-CG 3.4Å; F170-L174 PolarHBondContact O-N 3.38Å; F172-L174 VanDerWaalsContact C-N 3.35Å; F172-L174 PolarHBondContact O-N 3.3Å; L174-K177 PolarHBondContact O-N 3.06Å; L174-L178 WeakPolarHBondContact O-CB 3.4Å; L174-L178 VanDerWaalsContact O-CG 3.28Å; L174-L178 WeakPolarHBondContact O-CG 3.26Å; L174-L178 PolarHBondContact O-N 3.14Å; L174-V185 HydrophobicContact CB-CG1 3.73Å; L174-V185 HydrophobicContact CB-CG2 4.43Å; L174-V185 HydrophobicContact CD1-CG1 3.76Å; L174-V185 HydrophobicContact CG-CG1 4.4Å; L174-W201 HydrophobicContact CD2-CH2 4.49Å; L174-W201 HydrophobicContact CD2-CZ3 4.13Å; L174-V204 HydrophobicContact CD1-CG1 3.76Å; L174-L211 HydrophobicContact CD2-CD1 4.45Å; L174-F227 HydrophobicContact CD2-CD1 3.8Å; L174-F227 HydrophobicContact CD2-CE1 3.92Å; L174-I230 HydrophobicContact CD2-CD1 3.5Å; L174-I230 VanDerWaalsContact CD2-CD1 3.5Å; L174-I230 HydrophobicContact CG-CD1 4.06Å; L174-I230 HydrophobicContact CG-CG2 4.33Å
175G98.1Very high97.9Very high1 Ų147.9 Ų47.91%0.0128%0.275CS..Hα-helixtrans-60.9-46.8177.400000112.3R171 F172 L173 K177 L178 G179 V180R171-G175 PolarHBondContact O-N 2.93Å; F172-G175 WeakPolarHBondContact O-CA 3.28Å; F172-G175 PolarHBondContact O-N 3.46Å; L173-G175 VanDerWaalsContact C-N 3.34Å; G175-K177 VanDerWaalsContact C-N 3.34Å; G175-K177 PolarHBondContact O-N 3.15Å; G175-L178 PolarHBondContact O-N 3.08Å; G175-G179 WeakPolarHBondContact O-CA 3.39Å; G175-G179 PolarHBondContact O-N 3.21Å; G175-V180 CarbonylContact C-O 3.58Å; G175-V180 VanDerWaalsContact C-O 3.23Å; G175-V180 WeakPolarHBondContact CA-O 3.24Å; G175-V180 PolarHBondContact O-N 2.86Å; G175-V180 VanDerWaalsContact O-O 3.09Å
176E97.8Very high97.9Very high136 Ų13651 Ų5164%0.63629%0.288SS*.Hα-helixtrans-59.2-43.8175.1-69.7-64.6114.200111.7F172F172-E176 HydrophobicContact CD2-CG 4.3Å; F172-E176 HydrophobicContact CE1-CG 4.09Å; F172-E176 HydrophobicContact CE2-CG 3.77Å; F172-E176 HydrophobicContact CZ-CG 3.65Å; F172-E176 PolarHBondContact O-N 3.17Å
177K96.8Very high97.9Very high85 Ų8551 Ų5137%0.3729%0.289SS..Hα-helixtrans-67.8-37.4179.5-170.1174.4-175.5178.80113L173 L174 G175 E225 F227 I230L173-K177 WeakPolarHBondContact O-CB 3.48Å; L173-K177 PolarHBondContact O-N 3.08Å; L174-K177 PolarHBondContact O-N 3.06Å; G175-K177 VanDerWaalsContact C-N 3.34Å; G175-K177 PolarHBondContact O-N 3.15Å; K177-E225 PolarHBondContact NZ-O 2.87Å; K177-F227 HydrophobicContact CD-CD1 4.21Å; K177-F227 HydrophobicContact CD-CE1 3.85Å; K177-F227 HydrophobicContact CD-CZ 4.02Å; K177-I230 HydrophobicContact CD-CD1 3.79Å
178L96.6Very high97.9Very high65 Ų6554.1 Ų54.134%0.3430%0.301SS..Hα-helixtrans-90.8-6.7-176.8-65.3173.3000113.4L174 G175 V180 V206 L211 F227L174-L178 WeakPolarHBondContact O-CB 3.4Å; L174-L178 VanDerWaalsContact O-CG 3.28Å; L174-L178 WeakPolarHBondContact O-CG 3.26Å; L174-L178 PolarHBondContact O-N 3.14Å; G175-L178 PolarHBondContact O-N 3.08Å; L178-V180 VanDerWaalsContact C-N 3.35Å; L178-V180 HydrophobicContact CB-CG2 3.99Å; L178-V206 HydrophobicContact CD1-CG2 3.87Å; L178-L211 HydrophobicContact CD1-CD1 4.07Å; L178-L211 HydrophobicContact CD1-CD2 4.5Å; L178-F227 HydrophobicContact CD2-CE1 4.46Å; L178-F227 HydrophobicContact CD2-CZ 4.29Å
179G97.4Very high97.8Very high71 Ų7151.8 Ų51.873%0.73228%0.281SS*.THydrogen-bonded Turntrans68.929.6-176.200000113.8G175G175-G179 WeakPolarHBondContact O-CA 3.39Å; G175-G179 PolarHBondContact O-N 3.21Å
180V98.2Very high97.8Very high53 Ų5350.4 Ų50.432%0.32128%0.276SS..SBendtrans-126.8157.4179.3-61.20000111.6G175 L178 A182 V185 V206G175-V180 CarbonylContact C-O 3.58Å; G175-V180 VanDerWaalsContact C-O 3.23Å; G175-V180 WeakPolarHBondContact CA-O 3.24Å; G175-V180 PolarHBondContact O-N 2.86Å; G175-V180 VanDerWaalsContact O-O 3.09Å; L178-V180 VanDerWaalsContact C-N 3.35Å; L178-V180 HydrophobicContact CB-CG2 3.99Å; V180-A182 PolarHBondContact O-N 3.47Å; V180-V185 HydrophobicContact CG2-CG2 3.6Å; V180-V206 HydrophobicContact CG2-CG1 4.49Å; V180-V206 HydrophobicContact CG2-CG2 4.45Å
181S98Very high97.8Very high67 Ų6750.4 Ų50.447%0.46928%0.276SS..  trans-59.4139.7175.1-177.10000111.3N183 S184 V185S181-N183 PolarHBondContact O-N 3.46Å; S181-N183 PolarHBondContact OG-N 2.98Å; S181-S184 WeakPolarHBondContact O-CA 3.16Å; S181-S184 WeakPolarHBondContact O-CB 3.46Å; S181-S184 PolarHBondContact O-N 3.23Å; S181-V185 PolarHBondContact O-N 3.24Å
182A97.7Very high97.7Very high28 Ų2847.4 Ų47.423%0.23127%0.265CS..G310 helixtrans-53.3-27.5171.200000113R171 F172 V180 S184 V185R171-A182 HydrophobicContact CB-CB 4.42Å; R171-A182 PolarHBondContact NE-O 3.22Å; R171-A182 PolarHBondContact NH2-O 3.5Å; F172-A182 HydrophobicContact CB-CB 4.46Å; V180-A182 PolarHBondContact O-N 3.47Å; A182-S184 VanDerWaalsContact C-N 3.28Å; A182-S184 PolarHBondContact O-N 2.94Å; A182-V185 PolarHBondContact O-N 3Å
183N97.5Very high97.6Very high123 Ų12344.6 Ų44.666%0.65825%0.253SS*.G310 helixtrans-68.4-26.4175.6-72.4-23.7000113.2R171 S181R171-N183 PolarHBondContact NH2-O 3.16Å; S181-N183 PolarHBondContact O-N 3.46Å; S181-N183 PolarHBondContact OG-N 2.98Å
184S98.2Very high97.2Very high59 Ų5944.1 Ų44.141%0.41326%0.256SS..G310 helixtrans-92.4-5.5177.8-54.60000113.4S181 A182S181-S184 WeakPolarHBondContact O-CA 3.16Å; S181-S184 WeakPolarHBondContact O-CB 3.46Å; S181-S184 PolarHBondContact O-N 3.23Å; A182-S184 VanDerWaalsContact C-N 3.28Å; A182-S184 PolarHBondContact O-N 2.94Å
185V98.3Very high96.7Very high0 Ų049.3 Ų49.30%028%0.284CS..EExtended strand (participates in β ladder)trans-95.2130.3171.3-177.20000109.1R171 L174 V180 S181 A182 V206R171-V185 HydrophobicContact CB-CB 4.46Å; R171-V185 HydrophobicContact CG-CG1 4.48Å; R171-V185 PolarHBondContact NE-O 2.63Å; R171-V185 PolarHBondContact NH2-O 2.86Å; L174-V185 HydrophobicContact CB-CG1 3.73Å; L174-V185 HydrophobicContact CB-CG2 4.43Å; L174-V185 HydrophobicContact CD1-CG1 3.76Å; L174-V185 HydrophobicContact CG-CG1 4.4Å; V180-V185 HydrophobicContact CG2-CG2 3.6Å; S181-V185 PolarHBondContact O-N 3.24Å; A182-V185 PolarHBondContact O-N 3Å; V185-V206 HydrophobicContact CG2-CG2 4.2Å
186H98.1Very high96.4Very high85 Ų8551 Ų5139%0.39430%0.296SS..EExtended strand (participates in β ladder)trans-116.5119.8174.9-54.4-69.6000109.4V204 N205H186-V204 CarbonylContact O-C 3.23Å; H186-V204 WeakPolarHBondContact O-CA 3.44Å; H186-N205 PolarHBondContact CD2-OD1 3.45Å; H186-N205 PolarHBondContact N-O 3.23Å; H186-N205 PolarHBondContact O-N 2.89Å
187G97.5Very high96.4Very high4 Ų444.9 Ų44.94%0.04127%0.268CS..  trans-169.1146.5-18000000109.8
188Y97.9Very high96.4Very high72 Ų7240.9 Ų40.928%0.28225%0.251SS..  trans-119.1136.1-178.4-66.4-75.5000110.4V200 P272 P292 L306Y188-V200 PolarHBondContact O-N 3.21Å; Y188-P272 HydrophobicContact CD1-CB 4.12Å; Y188-P272 HydrophobicContact CD1-CG 3.95Å; Y188-P272 HydrophobicContact CE1-CG 4.42Å; Y188-P292 HydrophobicContact CD1-CG 4.25Å; Y188-P292 HydrophobicContact CD2-CG 4.4Å; Y188-P292 HydrophobicContact CE1-CB 4.38Å; Y188-P292 HydrophobicContact CE1-CG 4.38Å; Y188-P292 HydrophobicContact CG-CG 4.27Å; Y188-L306 HydrophobicContact CD2-CD1 4.35Å
189V98Very high96.4Very high0 Ų038.1 Ų38.10%024%0.237CC..EExtended strand (participates in β ladder)trans-97.5126.4155.8178.70000106T163 D166 S167 F170 V198T163-V189 WeakPolarHBondContact CB-O 3.38Å; T163-V189 HydrophobicContact CG2-CG1 4.18Å; T163-V189 PolarHBondContact OG1-O 3.25Å; D166-V189 HydrophobicContact CB-CB 4.18Å; D166-V189 HydrophobicContact CB-CG1 4.06Å; S167-V189 PolarHBondContact OG-N 2.95Å; S167-V189 PolarHBondContact OG-O 3.21Å; S167-V189 VanDerWaalsContact OG-O 3.06Å; F170-V189 HydrophobicContact CB-CG2 3.73Å; F170-V189 HydrophobicContact CD1-CG2 4.13Å; F170-V189 HydrophobicContact CD2-CG2 4.29Å; F170-V189 HydrophobicContact CG-CG2 3.81Å; V189-V198 CarbonylContact C-O 3.5Å; V189-V198 WeakPolarHBondContact CA-O 3.18Å
190I98Very high96.4Very high0 Ų034.8 Ų34.80%020%0.202CC..EExtended strand (participates in β ladder)trans-124.5-176.5-178.369169.8000110.6V198 V200 S290 L291 L306 L308 L316I190-V198 HydrophobicContact CG1-CB 4Å; I190-V198 PolarHBondContact N-O 3.31Å; I190-V198 PolarHBondContact O-N 3.17Å; I190-V200 HydrophobicContact CB-CG2 4.42Å; I190-V200 HydrophobicContact CD1-CG2 3.63Å; I190-V200 HydrophobicContact CG1-CG2 3.62Å; I190-V200 HydrophobicContact CG2-CG2 4.05Å; I190-S290 WeakPolarHBondContact CB-O 3.4Å; I190-L291 HydrophobicContact CD1-CD2 4.07Å; I190-L306 HydrophobicContact CG2-CD1 4.12Å; I190-L308 HydrophobicContact CD1-CD1 4.1Å; I190-L308 HydrophobicContact CD1-CD2 3.92Å; I190-L316 HydrophobicContact CD1-CD1 4.29Å; I190-L316 HydrophobicContact CD1-CD2 4.19Å; I190-L316 HydrophobicContact CG1-CD1 4.43Å
191G97Very high96.4Very high0 Ų033.3 Ų33.30%019%0.191CC..EExtended strand (participates in β ladder)trans82-145.517800000112.6S290G191-S290 PolarHBondContact N-O 3.34Å; G191-S290 VanDerWaalsContact O-CB 3.25Å; G191-S290 WeakPolarHBondContact O-CB 3.45Å; G191-S290 PolarHBondContact O-N 3.06Å; G191-S290 PolarHBondContact O-OG 3.29Å
192E96.6Very high96.2Very high7 Ų731.5 Ų31.53%0.03318%0.179CC..SBendtrans-75.4134.6-177.9173.4-174.917000109.6R106 G194 S196 S197 L289 L323R106-E192 IonicContact CZ-OE1 3.88Å; R106-E192 IonicContact NH1-OE1 2.68Å; R106-E192 PolarHBondContact NH1-OE1 3.39Å; R106-E192 IonicContact NH1-OE2 3.88Å; R106-E192 IonicContact NH2-OE1 3.95Å; R106-E192 PolarHBondContact NH2-OE1 2.8Å; E192-G194 PolarHBondContact O-N 3.48Å; E192-S196 VanDerWaalsContact CB-OG 3.31Å; E192-S196 WeakPolarHBondContact CB-OG 3.36Å; E192-S196 WeakPolarHBondContact CG-OG 3.41Å; E192-S196 PolarHBondContact OE1-OG 2.87Å; E192-S196 PolarHBondContact OE2-OG 3Å; E192-S197 WeakPolarHBondContact O-CA 3.04Å; E192-S197 VanDerWaalsContact O-CB 3.23Å; E192-S197 WeakPolarHBondContact O-CB 3.26Å; E192-S197 PolarHBondContact O-N 2.71Å; E192-L289 HydrophobicContact CB-CD2 3.81Å; E192-L289 VanDerWaalsContact N-CD2 3.33Å; E192-L323 HydrophobicContact CB-CD1 4.31Å; E192-L323 HydrophobicContact CB-CG 4.49Å; E192-L323 HydrophobicContact CG-CD1 4.35Å; E192-L323 HydrophobicContact CG-CD2 3.98Å; E192-L323 HydrophobicContact CG-CG 4.31Å
193H95.6Very high96.1Very high48 Ų4831.6 Ų31.622%0.22218%0.175CC..SBendtrans-67.7115.4171175.752.2000110.1N138 V140 D141 T163 D166N138-H193 PolarHBondContact OD1-CD2 2.87Å; V140-H193 HydrophobicContact CG1-CB 3.61Å; D141-H193 PolarHBondContact OD2-N 3.09Å; T163-H193 HydrophobicContact CG2-CB 4.47Å; D166-H193 IonicContact OD1-CE1 3.08Å; D166-H193 PolarHBondContact OD1-CE1 3.18Å; D166-H193 IonicContact OD1-ND1 3.37Å; D166-H193 IonicContact OD2-CE1 2.71Å; D166-H193 PolarHBondContact OD2-CE1 2.86Å; D166-H193 IonicContact OD2-CG 2.98Å; D166-H193 IonicContact OD2-ND1 2.61Å; D166-H193 PolarHBondContact OD2-ND1 3.31Å
194G89.8Confident96.1Very high22 Ų2225.7 Ų25.723%0.22714%0.144CC..SBendtrans128.8-147179.900000113E192 S196 S197E192-G194 PolarHBondContact O-N 3.48Å; G194-S196 PolarHBondContact O-N 2.58Å; G194-S197 WeakPolarHBondContact O-CB 3.48Å; G194-S197 PolarHBondContact O-N 3.16Å; G194-S197 VanDerWaalsContact O-N 3.07Å; G194-S197 PolarHBondContact O-OG 2.79Å
195D87.7Confident96.1Very high110 Ų11024.5 Ų24.559%0.58813%0.133SC*.THydrogen-bonded Turntrans-64.3-24.7-169.2-60.3-17.6000114.4V235 Y239D195-V235 HydrophobicContact CB-CG1 4.41Å; D195-V235 WeakPolarHBondContact OD1-CG1 3.01Å; D195-Y239 PolarHBondContact OD1-OH 2.97Å
196S92.7Very high96.1Very high36 Ų3626.1 Ų26.125%0.25214%0.142SC..THydrogen-bonded Turntrans-101.317.517954.90000112.7E192 G194 S319E192-S196 VanDerWaalsContact CB-OG 3.31Å; E192-S196 WeakPolarHBondContact CB-OG 3.36Å; E192-S196 WeakPolarHBondContact CG-OG 3.41Å; E192-S196 PolarHBondContact OE1-OG 2.87Å; E192-S196 PolarHBondContact OE2-OG 3Å; G194-S196 PolarHBondContact O-N 2.58Å; S196-S319 PolarHBondContact O-OG 3.28Å
197S96.2Very high96Very high7 Ų726.5 Ų26.55%0.04916%0.16CC..EExtended strand (participates in β ladder)trans-63.7154170.662.30000111.4E192 G194 H231E192-S197 WeakPolarHBondContact O-CA 3.04Å; E192-S197 VanDerWaalsContact O-CB 3.23Å; E192-S197 WeakPolarHBondContact O-CB 3.26Å; E192-S197 PolarHBondContact O-N 2.71Å; G194-S197 WeakPolarHBondContact O-CB 3.48Å; G194-S197 PolarHBondContact O-N 3.16Å; G194-S197 VanDerWaalsContact O-N 3.07Å; G194-S197 PolarHBondContact O-OG 2.79Å; S197-H231 PolarHBondContact O-CE1 3.45Å; S197-H231 PolarHBondContact O-NE2 3.15Å; S197-H231 PolarHBondContact OG-NE2 3.33Å
198V97Very high96Very high2 Ų229 Ų291%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-121.4108.9-174.5-173.30000109.6V189 I190 V200 E312 K315V189-V198 CarbonylContact C-O 3.5Å; V189-V198 WeakPolarHBondContact CA-O 3.18Å; I190-V198 HydrophobicContact CG1-CB 4Å; I190-V198 PolarHBondContact N-O 3.31Å; I190-V198 PolarHBondContact O-N 3.17Å; V198-V200 PolarHBondContact O-N 3.36Å; V198-E312 HydrophobicContact CG1-CB 4.19Å; V198-K315 HydrophobicContact CG1-CB 4.22Å; V198-K315 HydrophobicContact CG2-CB 3.71Å
199A97.4Very high96Very high6 Ų629.2 Ų29.25%0.0520%0.195CC..EExtended strand (participates in β ladder)trans-72.2123167.500000109.9F170 W201 H231F170-A199 HydrophobicContact CE2-CB 4.16Å; F170-A199 HydrophobicContact CZ-CB 4.08Å; A199-W201 HydrophobicContact CB-CZ2 4.41Å; A199-W201 PolarHBondContact O-N 2.98Å; A199-H231 HydrophobicContact CB-CB 3.93Å
200V97.4Very high95.9Very high1 Ų134.8 Ų34.81%0.00622%0.216CC..  trans-90.473.4-177.6-170.60000109.9Y188 I190 V198 S202 N203 V204 L306 L308 E312Y188-V200 PolarHBondContact O-N 3.21Å; I190-V200 HydrophobicContact CB-CG2 4.42Å; I190-V200 HydrophobicContact CD1-CG2 3.63Å; I190-V200 HydrophobicContact CG1-CG2 3.62Å; I190-V200 HydrophobicContact CG2-CG2 4.05Å; V198-V200 PolarHBondContact O-N 3.36Å; V200-S202 WeakPolarHBondContact CG1-OG 3.18Å; V200-S202 PolarHBondContact O-N 3.19Å; V200-N203 HydrophobicContact CG1-CB 4.16Å; V200-N203 PolarHBondContact O-N 3.47Å; V200-V204 WeakPolarHBondContact O-CG2 3.16Å; V200-L306 HydrophobicContact CG1-CD1 4.29Å; V200-L306 HydrophobicContact CG2-CD1 4.09Å; V200-L308 HydrophobicContact CB-CD2 4.49Å; V200-L308 HydrophobicContact CG1-CD2 3.62Å; V200-L308 HydrophobicContact CG2-CD2 3.99Å; V200-E312 VanDerWaalsContact CA-OE1 3.3Å; V200-E312 WeakPolarHBondContact CA-OE1 3.49Å
201W96.8Very high95.8Very high22 Ų2235.7 Ų35.78%0.08322%0.22CC..G310 helixtrans-57.2-32.8-179-69.2111.7000113.3F170 L174 A199 N203 V204 I218 F227 I230 H231 E312F170-W201 AromaticContact CE2-CH2 3.51Å; F170-W201 HydrophobicContact CE2-CH2 3.51Å; F170-W201 AromaticContact CE2-CZ2 3.75Å; F170-W201 HydrophobicContact CE2-CZ2 3.75Å; F170-W201 HydrophobicContact CE2-CZ3 4.08Å; F170-W201 HydrophobicContact CZ-CD2 4.38Å; F170-W201 HydrophobicContact CZ-CE3 4.07Å; F170-W201 AromaticContact CZ-CH2 3.58Å; F170-W201 HydrophobicContact CZ-CH2 3.58Å; F170-W201 AromaticContact CZ-CZ2 3.92Å; F170-W201 HydrophobicContact CZ-CZ2 3.92Å; F170-W201 AromaticContact CZ-CZ3 3.67Å; F170-W201 HydrophobicContact CZ-CZ3 3.67Å; L174-W201 HydrophobicContact CD2-CH2 4.49Å; L174-W201 HydrophobicContact CD2-CZ3 4.13Å; A199-W201 HydrophobicContact CB-CZ2 4.41Å; A199-W201 PolarHBondContact O-N 2.98Å; W201-N203 PolarHBondContact O-N 3.38Å; W201-N203 VanDerWaalsContact O-N 3.12Å; W201-V204 HydrophobicContact CE3-CG2 4.05Å; W201-V204 PolarHBondContact O-N 3.49Å; W201-I218 HydrophobicContact CB-CG2 4.4Å; W201-I218 HydrophobicContact CE3-CD1 4.01Å; W201-I218 HydrophobicContact CE3-CG1 3.81Å; W201-I218 HydrophobicContact CZ3-CD1 4.1Å; W201-I218 HydrophobicContact CZ3-CG1 4.04Å; W201-F227 HydrophobicContact CH2-CB 3.71Å; W201-F227 HydrophobicContact CH2-CD1 4.39Å; W201-F227 WeakPolarHBondContact CH2-O 3.39Å; W201-F227 HydrophobicContact CZ2-CB 4.4Å; W201-F227 VanDerWaalsContact CZ2-O 3.24Å; W201-F227 WeakPolarHBondContact CZ2-O 3.25Å; W201-F227 HydrophobicContact CZ3-CB 3.86Å; W201-F227 HydrophobicContact CZ3-CD1 4.12Å; W201-F227 HydrophobicContact CZ3-CG 4.43Å; W201-I230 HydrophobicContact CH2-CB 4.29Å; W201-H231 HydrophobicContact CZ2-CB 4.29Å; W201-E312 PolarHBondContact N-OE1 3.29Å
202S94.7Very high95.7Very high30 Ų3037.1 Ų37.121%0.2123%0.231CC..G310 helixtrans-55.3-30178580000113.6V200 S212 E312V200-S202 WeakPolarHBondContact CG1-OG 3.18Å; V200-S202 PolarHBondContact O-N 3.19Å; S202-S212 PolarHBondContact O-OG 2.87Å; S202-E312 WeakPolarHBondContact CB-OE2 3.2Å; S202-E312 PolarHBondContact N-OE1 2.99Å; S202-E312 PolarHBondContact OG-OE1 3.43Å; S202-E312 PolarHBondContact OG-OE2 3.46Å
203N94.9Very high95.7Very high29 Ų2940.7 Ų40.716%0.15526%0.256CS..G310 helixtrans-111.30.2-174.8-69.4-38.3000114.6V200 W201 N205 E307V200-N203 HydrophobicContact CG1-CB 4.16Å; V200-N203 PolarHBondContact O-N 3.47Å; W201-N203 PolarHBondContact O-N 3.38Å; W201-N203 VanDerWaalsContact O-N 3.12Å; N203-N205 PolarHBondContact O-N 3.25Å; N203-N205 PolarHBondContact O-ND2 3.31Å; N203-E307 PolarHBondContact ND2-O 3.03Å
204V97.5Very high95.7Very high0 Ų044.4 Ų44.40%028%0.277CS..  trans-65.7127.2178.8-177.90000109.9F170 L174 H186 V200 W201 R210 L211F170-V204 HydrophobicContact CE1-CG2 3.76Å; F170-V204 HydrophobicContact CZ-CG2 4.05Å; L174-V204 HydrophobicContact CD1-CG1 3.76Å; H186-V204 CarbonylContact O-C 3.23Å; H186-V204 WeakPolarHBondContact O-CA 3.44Å; V200-V204 WeakPolarHBondContact O-CG2 3.16Å; W201-V204 HydrophobicContact CE3-CG2 4.05Å; W201-V204 PolarHBondContact O-N 3.49Å; V204-R210 WeakPolarHBondContact O-CA 3.46Å; V204-L211 HydrophobicContact CB-CD1 4.43Å; V204-L211 HydrophobicContact CG1-CD1 3.56Å; V204-L211 HydrophobicContact CG1-CG 4.01Å; V204-L211 PolarHBondContact O-N 3.47Å
205N98.1Very high96Very high34 Ų3444.3 Ų44.318%0.18227%0.272CS..EExtended strand (participates in β ladder)trans-148.5157.7-178.370.891.9000113.3H186 N203 G208 V209H186-N205 PolarHBondContact CD2-OD1 3.45Å; H186-N205 PolarHBondContact N-O 3.23Å; H186-N205 PolarHBondContact O-N 2.89Å; N203-N205 PolarHBondContact O-N 3.25Å; N203-N205 PolarHBondContact O-ND2 3.31Å; N205-G208 WeakPolarHBondContact OD1-CA 3.34Å; N205-G208 PolarHBondContact OD1-N 3.34Å; N205-V209 WeakPolarHBondContact CA-O 3.48Å; N205-V209 VanDerWaalsContact CB-O 3.22Å; N205-V209 WeakPolarHBondContact CB-O 3.43Å
206V98.2Very high96.3Very high33 Ų3344.3 Ų44.320%0.228%0.277CS..EExtended strand (participates in β ladder)trans-125.3126.3168.6176.60000107.4L178 V180 V185 G208 V209L178-V206 HydrophobicContact CD1-CG2 3.87Å; V180-V206 HydrophobicContact CG2-CG1 4.49Å; V180-V206 HydrophobicContact CG2-CG2 4.45Å; V185-V206 HydrophobicContact CG2-CG2 4.2Å; V206-G208 PolarHBondContact O-N 3.02Å; V206-G208 VanDerWaalsContact O-N 3.1Å; V206-V209 PolarHBondContact N-O 2.81Å; V206-V209 VanDerWaalsContact N-O 3.16Å; V206-V209 WeakPolarHBondContact O-CB 3.35Å; V206-V209 PolarHBondContact O-N 3.46Å
207A97.1Very high96.4Very high94 Ų9447.2 Ų47.278%0.77729%0.286SS*.THydrogen-bonded Turntrans50.733.4-176.100000113.9V209A207-V209 VanDerWaalsContact C-N 3.3Å; A207-V209 PolarHBondContact O-N 2.9Å
208G96.8Very high96.3Very high57 Ų5747.4 Ų47.459%0.58829%0.286SS*.THydrogen-bonded Turntrans83.4-8.1-178.100000115.4N205 V206 R210N205-G208 WeakPolarHBondContact OD1-CA 3.34Å; N205-G208 PolarHBondContact OD1-N 3.34Å; V206-G208 PolarHBondContact O-N 3.02Å; V206-G208 VanDerWaalsContact O-N 3.1Å; G208-R210 PolarHBondContact O-N 3.5Å
209V97.6Very high96.1Very high76 Ų7647.7 Ų47.746%0.46129%0.29SS..EExtended strand (participates in β ladder)trans-81.2111.9175.8-176.50000109.4N205 V206 A207 L211 L214N205-V209 WeakPolarHBondContact CA-O 3.48Å; N205-V209 VanDerWaalsContact CB-O 3.22Å; N205-V209 WeakPolarHBondContact CB-O 3.43Å; V206-V209 PolarHBondContact N-O 2.81Å; V206-V209 VanDerWaalsContact N-O 3.16Å; V206-V209 WeakPolarHBondContact O-CB 3.35Å; V206-V209 PolarHBondContact O-N 3.46Å; A207-V209 VanDerWaalsContact C-N 3.3Å; A207-V209 PolarHBondContact O-N 2.9Å; V209-L211 PolarHBondContact O-N 2.93Å; V209-L214 HydrophobicContact CG1-CD1 3.96Å; V209-L214 HydrophobicContact CG1-CG 4.28Å
210R96.9Very high95.8Very high117 Ų11750.2 Ų50.244%0.44231%0.306SS..EExtended strand (participates in β ladder)trans-68.2124.6178.9-70-173.2179.3-177.7-2.8110.4V204 G208 S212 S213V204-R210 WeakPolarHBondContact O-CA 3.46Å; G208-R210 PolarHBondContact O-N 3.5Å; R210-S212 PolarHBondContact O-N 3.46Å; R210-S213 WeakPolarHBondContact O-CB 3.3Å; R210-S213 PolarHBondContact O-N 3.37Å; R210-S213 PolarHBondContact O-OG 3.04Å
211L96.5Very high95.5Very high18 Ų1858.9 Ų58.99%0.09434%0.344CS..Hα-helixtrans-63.2-32.8178.5-58.2-170.4000111.8L174 L178 V204 V209 S213 L214 N215 I218 F227L174-L211 HydrophobicContact CD2-CD1 4.45Å; L178-L211 HydrophobicContact CD1-CD1 4.07Å; L178-L211 HydrophobicContact CD1-CD2 4.5Å; V204-L211 HydrophobicContact CB-CD1 4.43Å; V204-L211 HydrophobicContact CG1-CD1 3.56Å; V204-L211 HydrophobicContact CG1-CG 4.01Å; V204-L211 PolarHBondContact O-N 3.47Å; V209-L211 PolarHBondContact O-N 2.93Å; L211-S213 PolarHBondContact O-N 3.28Å; L211-L214 PolarHBondContact O-N 3.39Å; L211-N215 PolarHBondContact O-N 2.95Å; L211-I218 HydrophobicContact CB-CD1 3.39Å; L211-I218 HydrophobicContact CD1-CD1 3.76Å; L211-I218 HydrophobicContact CG-CD1 4.24Å; L211-F227 HydrophobicContact CD1-CE1 4.47Å
212S95.1Very high95.2Very high31 Ų3162.2 Ų62.222%0.21736%0.363CS..Hα-helixtrans-61.8-22.8173.954.50000114.1S202 R210 N215 P216S202-S212 PolarHBondContact O-OG 2.87Å; R210-S212 PolarHBondContact O-N 3.46Å; S212-N215 CarbonylContact O-C 3.53Å; S212-P216 VanDerWaalsContact O-CA 3.3Å; S212-P216 WeakPolarHBondContact O-CA 3.21Å
213S95.3Very high95.2Very high81 Ų8161.2 Ų61.257%0.56636%0.355SS*.Hα-helixtrans-78.7-22.517369.20000113.6R210 L211R210-S213 WeakPolarHBondContact O-CB 3.3Å; R210-S213 PolarHBondContact O-N 3.37Å; R210-S213 PolarHBondContact O-OG 3.04Å; L211-S213 PolarHBondContact O-N 3.28Å
214L95.9Very high95.1Very high127 Ų12765.1 Ų65.167%0.66538%0.382SS*.Hα-helixtrans-92.8-39.5178.1-58.2178.6000111.2V209 L211V209-L214 HydrophobicContact CG1-CD1 3.96Å; V209-L214 HydrophobicContact CG1-CG 4.28Å; L211-L214 PolarHBondContact O-N 3.39Å
215N95.7Very high95Very high20 Ų2070.6 Ų70.611%0.10741%0.408CS..  trans-128.193.8174.6178.13.9000108.9L211 S212 K217 I218 D223L211-N215 PolarHBondContact O-N 2.95Å; S212-N215 CarbonylContact O-C 3.53Å; N215-K217 PolarHBondContact O-N 3.01Å; N215-K217 PolarHBondContact OD1-N 3.03Å; N215-K217 VanDerWaalsContact OD1-N 3.12Å; N215-I218 HydrophobicContact CB-CB 4.26Å; N215-I218 VanDerWaalsContact O-CB 3.27Å; N215-I218 WeakPolarHBondContact O-CB 3.29Å; N215-I218 VanDerWaalsContact O-CG2 3.31Å; N215-I218 WeakPolarHBondContact O-CG2 3.02Å; N215-I218 PolarHBondContact O-N 3.32Å; N215-I218 PolarHBondContact OD1-N 3.45Å; N215-D223 PolarHBondContact ND2-OD1 2.97Å
216P94Very high94.8Very high109 Ų10972.5 Ų72.571%0.70842%0.418SS*.THydrogen-bonded Turntrans-60.3-16.8179.2-26.536000114.7S212S212-P216 VanDerWaalsContact O-CA 3.3Å; S212-P216 WeakPolarHBondContact O-CA 3.21Å
217K94.5Very high94.7Very high98 Ų9871.3 Ų71.343%0.42641%0.41SS..THydrogen-bonded Turntrans-94.75.6177.4-60.9-175.5171.8-155.20112.8N215 G219 C220 D222 D223N215-K217 PolarHBondContact O-N 3.01Å; N215-K217 PolarHBondContact OD1-N 3.03Å; N215-K217 VanDerWaalsContact OD1-N 3.12Å; K217-G219 PolarHBondContact O-N 3.19Å; K217-C220 WeakPolarHBondContact O-CB 3.32Å; K217-C220 PolarHBondContact O-N 2.98Å; K217-D222 WeakPolarHBondContact CD-OD2 3.47Å; K217-D222 VanDerWaalsContact CE-OD2 3.24Å; K217-D222 WeakPolarHBondContact CE-OD2 3.41Å; K217-D222 IonicContact NZ-OD2 2.71Å; K217-D222 PolarHBondContact NZ-OD2 2.83Å; K217-D223 WeakPolarHBondContact O-CB 3.47Å
218I95.1Very high94.5Very high10 Ų1068.7 Ų68.75%0.05138%0.382CS..THydrogen-bonded Turntrans-55.3128.5-174.7-167.1170.9000111.5W201 L211 N215 C220 F227W201-I218 HydrophobicContact CB-CG2 4.4Å; W201-I218 HydrophobicContact CE3-CD1 4.01Å; W201-I218 HydrophobicContact CE3-CG1 3.81Å; W201-I218 HydrophobicContact CZ3-CD1 4.1Å; W201-I218 HydrophobicContact CZ3-CG1 4.04Å; L211-I218 HydrophobicContact CB-CD1 3.39Å; L211-I218 HydrophobicContact CD1-CD1 3.76Å; L211-I218 HydrophobicContact CG-CD1 4.24Å; N215-I218 HydrophobicContact CB-CB 4.26Å; N215-I218 VanDerWaalsContact O-CB 3.27Å; N215-I218 WeakPolarHBondContact O-CB 3.29Å; N215-I218 VanDerWaalsContact O-CG2 3.31Å; N215-I218 WeakPolarHBondContact O-CG2 3.02Å; N215-I218 PolarHBondContact O-N 3.32Å; N215-I218 PolarHBondContact OD1-N 3.45Å; I218-C220 PolarHBondContact O-N 2.74Å; I218-F227 HydrophobicContact CD1-CB 4.35Å; I218-F227 HydrophobicContact CD1-CD1 3.93Å; I218-F227 HydrophobicContact CD1-CD2 4.27Å; I218-F227 HydrophobicContact CD1-CE1 4.28Å; I218-F227 HydrophobicContact CD1-CG 3.94Å; I218-F227 HydrophobicContact CG1-CB 3.72Å; I218-F227 HydrophobicContact CG1-CD1 4.23Å; I218-F227 HydrophobicContact CG1-CD2 4.05Å; I218-F227 HydrophobicContact CG1-CG 3.75Å
219G91.6Very high94.4Very high9 Ų969.4 Ų69.49%0.09337%0.37CS..THydrogen-bonded Turntrans77.6-4-178.900000115.2K217 D223K217-G219 PolarHBondContact O-N 3.19Å; G219-D223 PolarHBondContact N-OD2 2.64Å
220C92.4Very high94.4Very high59 Ų5966.1 Ų66.140%0.39935%0.35SS..SBendtrans-80161.2168.4-57.70000110.9K217 I218 D222 D223K217-C220 WeakPolarHBondContact O-CB 3.32Å; K217-C220 PolarHBondContact O-N 2.98Å; I218-C220 PolarHBondContact O-N 2.74Å; C220-D222 VanDerWaalsContact CB-OD1 3.23Å; C220-D222 WeakPolarHBondContact CB-OD1 3.46Å; C220-D222 PolarHBondContact O-N 2.68Å; C220-D223 WeakPolarHBondContact O-CB 3.22Å; C220-D223 PolarHBondContact O-N 3.29Å; C220-D223 VanDerWaalsContact O-N 3.16Å
221K90Very high94.4Very high182 Ų18262.1 Ų62.179%0.79134%0.336SS*.THydrogen-bonded Turntrans-64-25178.1-70.8-177.8177.3-179.70113.5
222D91.9Very high94.3Very high92 Ų9265.5 Ų65.549%0.49235%0.35SS..THydrogen-bonded Turntrans-99.315.6179.568.6-39.3000112.8K217 C220 P224K217-D222 WeakPolarHBondContact CD-OD2 3.47Å; K217-D222 VanDerWaalsContact CE-OD2 3.24Å; K217-D222 WeakPolarHBondContact CE-OD2 3.41Å; K217-D222 IonicContact NZ-OD2 2.71Å; K217-D222 PolarHBondContact NZ-OD2 2.83Å; C220-D222 VanDerWaalsContact CB-OD1 3.23Å; C220-D222 WeakPolarHBondContact CB-OD1 3.46Å; C220-D222 PolarHBondContact O-N 2.68Å; D222-P224 WeakPolarHBondContact O-CD 3.36Å
223D94Very high94.4Very high9 Ų967.8 Ų67.85%0.04836%0.357CS..  trans-62.5116.1168.5-176.9-6.1000110.4N215 K217 G219 C220 E225 N226 F227N215-D223 PolarHBondContact ND2-OD1 2.97Å; K217-D223 WeakPolarHBondContact O-CB 3.47Å; G219-D223 PolarHBondContact N-OD2 2.64Å; C220-D223 WeakPolarHBondContact O-CB 3.22Å; C220-D223 PolarHBondContact O-N 3.29Å; C220-D223 VanDerWaalsContact O-N 3.16Å; D223-E225 PolarHBondContact O-N 3.29Å; D223-E225 VanDerWaalsContact O-N 3.16Å; D223-E225 PolarHBondContact OD1-N 3.43Å; D223-N226 PolarHBondContact O-N 3.37Å; D223-F227 WeakPolarHBondContact OD2-CB 3.11Å; D223-F227 WeakPolarHBondContact OD2-CD2 3.31Å; D223-F227 PolarHBondContact OD2-N 3.41Å
224P92.7Very high94.4Very high111 Ų11164 Ų6472%0.72133%0.33SS*.THydrogen-bonded Turntrans-62.6-24.5-178.726.5-35.4000113.2D222D222-P224 WeakPolarHBondContact O-CD 3.36Å
225E94.6Very high94.3Very high115 Ų11559.2 Ų59.254%0.53731%0.307SS..THydrogen-bonded Turntrans-95.5-1.4177.4-68.7-175.3-12100112.5K177 D223 F227K177-E225 PolarHBondContact NZ-O 2.87Å; D223-E225 PolarHBondContact O-N 3.29Å; D223-E225 VanDerWaalsContact O-N 3.16Å; D223-E225 PolarHBondContact OD1-N 3.43Å; E225-F227 HydrophobicContact CB-CD2 3.66Å; E225-F227 HydrophobicContact CB-CE2 3.5Å; E225-F227 HydrophobicContact CG-CE2 4.28Å; E225-F227 PolarHBondContact O-N 2.95Å; E225-F227 WeakPolarHBondContact OE2-CE2 3.47Å
226N94.6Very high94.2Very high75 Ų7562.2 Ų62.240%0.40132%0.32SS..  trans52.249.6177.9-168.824.4000113.2D223 E228 E229D223-N226 PolarHBondContact O-N 3.37Å; N226-E228 PolarHBondContact O-N 3.46Å; N226-E229 WeakPolarHBondContact O-CB 3.41Å; N226-E229 PolarHBondContact O-N 3.06Å
227F95.9Very high94Very high8 Ų858.2 Ų58.24%0.03530%0.295CS..THydrogen-bonded Turntrans-66.2-21.9174.1-78.9-103000112.8L174 K177 L178 W201 L211 I218 D223 E225 E229 I230L174-F227 HydrophobicContact CD2-CD1 3.8Å; L174-F227 HydrophobicContact CD2-CE1 3.92Å; K177-F227 HydrophobicContact CD-CD1 4.21Å; K177-F227 HydrophobicContact CD-CE1 3.85Å; K177-F227 HydrophobicContact CD-CZ 4.02Å; L178-F227 HydrophobicContact CD2-CE1 4.46Å; L178-F227 HydrophobicContact CD2-CZ 4.29Å; W201-F227 HydrophobicContact CH2-CB 3.71Å; W201-F227 HydrophobicContact CH2-CD1 4.39Å; W201-F227 WeakPolarHBondContact CH2-O 3.39Å; W201-F227 HydrophobicContact CZ2-CB 4.4Å; W201-F227 VanDerWaalsContact CZ2-O 3.24Å; W201-F227 WeakPolarHBondContact CZ2-O 3.25Å; W201-F227 HydrophobicContact CZ3-CB 3.86Å; W201-F227 HydrophobicContact CZ3-CD1 4.12Å; W201-F227 HydrophobicContact CZ3-CG 4.43Å; L211-F227 HydrophobicContact CD1-CE1 4.47Å; I218-F227 HydrophobicContact CD1-CB 4.35Å; I218-F227 HydrophobicContact CD1-CD1 3.93Å; I218-F227 HydrophobicContact CD1-CD2 4.27Å; I218-F227 HydrophobicContact CD1-CE1 4.28Å; I218-F227 HydrophobicContact CD1-CG 3.94Å; I218-F227 HydrophobicContact CG1-CB 3.72Å; I218-F227 HydrophobicContact CG1-CD1 4.23Å; I218-F227 HydrophobicContact CG1-CD2 4.05Å; I218-F227 HydrophobicContact CG1-CG 3.75Å; D223-F227 WeakPolarHBondContact OD2-CB 3.11Å; D223-F227 WeakPolarHBondContact OD2-CD2 3.31Å; D223-F227 PolarHBondContact OD2-N 3.41Å; E225-F227 HydrophobicContact CB-CD2 3.66Å; E225-F227 HydrophobicContact CB-CE2 3.5Å; E225-F227 HydrophobicContact CG-CE2 4.28Å; E225-F227 PolarHBondContact O-N 2.95Å; E225-F227 WeakPolarHBondContact OE2-CE2 3.47Å; F227-E229 PolarHBondContact O-N 2.59Å; F227-E229 VanDerWaalsContact O-N 3.15Å; F227-I230 HydrophobicContact CD1-CD1 3.63Å; F227-I230 HydrophobicContact CE1-CD1 4.22Å; F227-I230 HydrophobicContact CG-CD1 4.41Å; F227-I230 VanDerWaalsContact O-CB 3.3Å; F227-I230 WeakPolarHBondContact O-CB 3.37Å; F227-I230 PolarHBondContact O-N 3.01Å
228E93.6Very high93.6Very high38 Ų3854.9 Ų54.918%0.17829%0.286CS..Hα-helixtrans-53.1-35.5173.7-168.1-164.6-167.100111.6N226 I230 H231 K232N226-E228 PolarHBondContact O-N 3.46Å; E228-I230 PolarHBondContact O-N 3.36Å; E228-H231 PolarHBondContact O-N 3.41Å; E228-H231 VanDerWaalsContact O-N 3.09Å; E228-K232 VanDerWaalsContact CD-NZ 3.28Å; E228-K232 PolarHBondContact O-N 2.77Å; E228-K232 IonicContact OE1-NZ 3.7Å; E228-K232 IonicContact OE2-NZ 2.77Å; E228-K232 PolarHBondContact OE2-NZ 2.95Å
229E95.5Very high93.4Very high72 Ų7260 Ų6034%0.33631%0.305SS..Hα-helixtrans-58.4-29.5177.7-173.455.8-151.900113.1N226 F227 H231 K232 Q233N226-E229 WeakPolarHBondContact O-CB 3.41Å; N226-E229 PolarHBondContact O-N 3.06Å; F227-E229 PolarHBondContact O-N 2.59Å; F227-E229 VanDerWaalsContact O-N 3.15Å; E229-H231 VanDerWaalsContact C-N 3.35Å; E229-H231 PolarHBondContact O-N 3.26Å; E229-K232 PolarHBondContact O-N 3.49Å; E229-K232 WeakPolarHBondContact OE2-CD 3.31Å; E229-Q233 HydrophobicContact CG-CG 4.42Å; E229-Q233 WeakPolarHBondContact O-CB 3.47Å; E229-Q233 VanDerWaalsContact O-CG 3.31Å; E229-Q233 WeakPolarHBondContact O-CG 3.49Å; E229-Q233 PolarHBondContact O-N 2.94Å
230I97Very high93.5Very high8 Ų862 Ų624%0.04131%0.313CS..Hα-helixtrans-62.7-44.2177-61.6179.4000110.5F170 L173 L174 K177 W201 F227 E228 K232 Q233 V234F170-I230 HydrophobicContact CD2-CG2 3.72Å; F170-I230 HydrophobicContact CE2-CB 4.46Å; F170-I230 HydrophobicContact CE2-CG2 3.84Å; L173-I230 HydrophobicContact CB-CG2 3.64Å; L173-I230 HydrophobicContact CD1-CG2 4.17Å; L174-I230 HydrophobicContact CD2-CD1 3.5Å; L174-I230 VanDerWaalsContact CD2-CD1 3.5Å; L174-I230 HydrophobicContact CG-CD1 4.06Å; L174-I230 HydrophobicContact CG-CG2 4.33Å; K177-I230 HydrophobicContact CD-CD1 3.79Å; W201-I230 HydrophobicContact CH2-CB 4.29Å; F227-I230 HydrophobicContact CD1-CD1 3.63Å; F227-I230 HydrophobicContact CE1-CD1 4.22Å; F227-I230 HydrophobicContact CG-CD1 4.41Å; F227-I230 VanDerWaalsContact O-CB 3.3Å; F227-I230 WeakPolarHBondContact O-CB 3.37Å; F227-I230 PolarHBondContact O-N 3.01Å; E228-I230 PolarHBondContact O-N 3.36Å; I230-K232 VanDerWaalsContact C-N 3.35Å; I230-Q233 PolarHBondContact O-N 2.89Å; I230-V234 WeakPolarHBondContact O-CG2 3.42Å; I230-V234 PolarHBondContact O-N 3.43Å
231H96.1Very high93.5Very high32 Ų3262.2 Ų62.215%0.14831%0.31CS..Hα-helixtrans-67.6-38.4178.5179.3-135.7000111.2S197 A199 W201 E228 E229 Q233 V234 V235S197-H231 PolarHBondContact O-CE1 3.45Å; S197-H231 PolarHBondContact O-NE2 3.15Å; S197-H231 PolarHBondContact OG-NE2 3.33Å; A199-H231 HydrophobicContact CB-CB 3.93Å; W201-H231 HydrophobicContact CZ2-CB 4.29Å; E228-H231 PolarHBondContact O-N 3.41Å; E228-H231 VanDerWaalsContact O-N 3.09Å; E229-H231 VanDerWaalsContact C-N 3.35Å; E229-H231 PolarHBondContact O-N 3.26Å; H231-Q233 VanDerWaalsContact C-N 3.33Å; H231-Q233 PolarHBondContact O-N 2.84Å; H231-V234 WeakPolarHBondContact O-CB 3.39Å; H231-V234 PolarHBondContact O-N 2.9Å; H231-V234 VanDerWaalsContact O-N 3.14Å; H231-V235 PolarHBondContact O-N 3.32Å; H231-V235 VanDerWaalsContact O-N 3.1Å
232K95.3Very high93.6Very high89 Ų8957.4 Ų57.439%0.38729%0.292SS..Hα-helixtrans-58.6-44.2172.3-66.3173.1-173.4153.90111.6E228 E229 I230 V234 V235 Q236E228-K232 VanDerWaalsContact CD-NZ 3.28Å; E228-K232 PolarHBondContact O-N 2.77Å; E228-K232 IonicContact OE1-NZ 3.7Å; E228-K232 IonicContact OE2-NZ 2.77Å; E228-K232 PolarHBondContact OE2-NZ 2.95Å; E229-K232 PolarHBondContact O-N 3.49Å; E229-K232 WeakPolarHBondContact OE2-CD 3.31Å; I230-K232 VanDerWaalsContact C-N 3.35Å; K232-V234 PolarHBondContact O-N 3.48Å; K232-V235 PolarHBondContact O-N 3.24Å; K232-Q236 VanDerWaalsContact O-CB 3.26Å; K232-Q236 WeakPolarHBondContact O-CB 3.46Å; K232-Q236 PolarHBondContact O-N 3.18Å
233Q95.9Very high93.7Very high80 Ų8061.5 Ų61.537%0.37430%0.301SS..Hα-helixtrans-63.5-36.9174.8-73175.914.200112.7L173 E229 I230 H231 Q236 S237L173-Q233 HydrophobicContact CD1-CB 3.68Å; E229-Q233 HydrophobicContact CG-CG 4.42Å; E229-Q233 WeakPolarHBondContact O-CB 3.47Å; E229-Q233 VanDerWaalsContact O-CG 3.31Å; E229-Q233 WeakPolarHBondContact O-CG 3.49Å; E229-Q233 PolarHBondContact O-N 2.94Å; I230-Q233 PolarHBondContact O-N 2.89Å; H231-Q233 VanDerWaalsContact C-N 3.33Å; H231-Q233 PolarHBondContact O-N 2.84Å; Q233-Q236 PolarHBondContact O-N 3.2Å; Q233-S237 WeakPolarHBondContact O-CA 3.37Å; Q233-S237 WeakPolarHBondContact O-CB 3.41Å; Q233-S237 PolarHBondContact O-N 3.36Å; Q233-S237 PolarHBondContact O-OG 3.44Å
234V96.2Very high93.8Very high0 Ų067.9 Ų67.90%033%0.334CS..Hα-helixtrans-60.8-48.2175.3170.90000111.2D166 R169 F170 L173 I230 H231 K232 S237D166-V234 HydrophobicContact CB-CG1 3.78Å; D166-V234 WeakPolarHBondContact O-CG1 3.25Å; R169-V234 HydrophobicContact CB-CG1 4.21Å; R169-V234 HydrophobicContact CB-CG2 4.12Å; F170-V234 HydrophobicContact CB-CG2 3.83Å; F170-V234 HydrophobicContact CD2-CG2 4.06Å; F170-V234 HydrophobicContact CG-CG2 4.47Å; L173-V234 HydrophobicContact CD1-CG2 3.88Å; I230-V234 WeakPolarHBondContact O-CG2 3.42Å; I230-V234 PolarHBondContact O-N 3.43Å; H231-V234 WeakPolarHBondContact O-CB 3.39Å; H231-V234 PolarHBondContact O-N 2.9Å; H231-V234 VanDerWaalsContact O-N 3.14Å; K232-V234 PolarHBondContact O-N 3.48Å; V234-S237 WeakPolarHBondContact O-CB 3.34Å; V234-S237 PolarHBondContact O-N 3.01Å
235V93.1Very high93.9Very high28 Ų2866.2 Ų66.217%0.1732%0.316CS..Hα-helixtrans-62.6-47.6177.2174.70000110.1D195 H231 K232 S237D195-V235 HydrophobicContact CB-CG1 4.41Å; D195-V235 WeakPolarHBondContact OD1-CG1 3.01Å; H231-V235 PolarHBondContact O-N 3.32Å; H231-V235 VanDerWaalsContact O-N 3.1Å; K232-V235 PolarHBondContact O-N 3.24Å; V235-S237 VanDerWaalsContact C-N 3.26Å; V235-S237 PolarHBondContact O-N 3.08Å
236Q93.4Very high93.9Very high82 Ų8263.1 Ų63.138%0.38331%0.314SS..Hα-helixtrans-68.3-22.9-178.3-168.757.435.700113.4K232 Q233 A238 Y239 D240K232-Q236 VanDerWaalsContact O-CB 3.26Å; K232-Q236 WeakPolarHBondContact O-CB 3.46Å; K232-Q236 PolarHBondContact O-N 3.18Å; Q233-Q236 PolarHBondContact O-N 3.2Å; Q236-A238 VanDerWaalsContact C-N 3.27Å; Q236-A238 PolarHBondContact O-N 3.22Å; Q236-Y239 WeakPolarHBondContact O-CB 3.44Å; Q236-Y239 PolarHBondContact O-N 3.34Å; Q236-D240 PolarHBondContact NE2-OD1 3.2Å; Q236-D240 PolarHBondContact O-N 2.76Å
237S91.3Very high93.8Very high26 Ų2663 Ų6318%0.18231%0.309CS..Hα-helixtrans-55-39.6-176.3-720000113Q233 V234 V235 I241Q233-S237 WeakPolarHBondContact O-CA 3.37Å; Q233-S237 WeakPolarHBondContact O-CB 3.41Å; Q233-S237 PolarHBondContact O-N 3.36Å; Q233-S237 PolarHBondContact O-OG 3.44Å; V234-S237 WeakPolarHBondContact O-CB 3.34Å; V234-S237 PolarHBondContact O-N 3.01Å; V235-S237 VanDerWaalsContact C-N 3.26Å; V235-S237 PolarHBondContact O-N 3.08Å; S237-I241 WeakPolarHBondContact O-CB 3.16Å; S237-I241 VanDerWaalsContact O-CD1 3.31Å; S237-I241 WeakPolarHBondContact O-CD1 3.16Å; S237-I241 WeakPolarHBondContact O-CG1 3.25Å; S237-I241 PolarHBondContact O-N 2.99Å
238A85.7Confident93.7Very high28 Ų2864.6 Ų64.623%0.23132%0.319CS..Hα-helixtrans-64.6-46.1178.500000111.2Q236 I242Q236-A238 VanDerWaalsContact C-N 3.27Å; Q236-A238 PolarHBondContact O-N 3.22Å; A238-I242 WeakPolarHBondContact O-CB 3.38Å; A238-I242 WeakPolarHBondContact O-CD1 3.42Å; A238-I242 WeakPolarHBondContact O-CG1 3.39Å; A238-I242 PolarHBondContact O-N 3.32Å
239Y90.1Very high93.8Very high117 Ų11763 Ų6346%0.45931%0.312SS..Hα-helixtrans-65.2-43.3179-61.1-72.5000112.1D195 Q236 I242 R243D195-Y239 PolarHBondContact OD1-OH 2.97Å; Q236-Y239 WeakPolarHBondContact O-CB 3.44Å; Q236-Y239 PolarHBondContact O-N 3.34Å; Y239-I242 PolarHBondContact O-N 2.71Å; Y239-R243 WeakPolarHBondContact O-CB 3.03Å; Y239-R243 PolarHBondContact O-N 3.11Å
240D93.8Very high94Very high50 Ų5067.2 Ų67.227%0.26733%0.325SS..Hα-helixtrans-65.2-42.9178.6-75.9-17.1000111.9Q236 I242 R243 L244Q236-D240 PolarHBondContact NE2-OD1 3.2Å; Q236-D240 PolarHBondContact O-N 2.76Å; D240-I242 VanDerWaalsContact C-N 3.35Å; D240-I242 PolarHBondContact O-N 2.61Å; D240-R243 PolarHBondContact O-N 3.18Å; D240-R243 IonicContact OD1-CZ 3.34Å; D240-R243 IonicContact OD1-NH1 3.35Å; D240-R243 PolarHBondContact OD1-NH1 2.82Å; D240-R243 IonicContact OD1-NH2 2.98Å; D240-R243 PolarHBondContact OD1-NH2 2.99Å; D240-L244 WeakPolarHBondContact O-CB 3.26Å; D240-L244 VanDerWaalsContact O-CG 3.23Å; D240-L244 WeakPolarHBondContact O-CG 3.35Å; D240-L244 PolarHBondContact O-N 3.38Å
241I93.6Very high94Very high64 Ų6469.1 Ų69.133%0.32834%0.342SS..Hα-helixtrans-63.4-42.7175.3-67.9164.5000110.4S237 L244 K245 T248S237-I241 WeakPolarHBondContact O-CB 3.16Å; S237-I241 VanDerWaalsContact O-CD1 3.31Å; S237-I241 WeakPolarHBondContact O-CD1 3.16Å; S237-I241 WeakPolarHBondContact O-CG1 3.25Å; S237-I241 PolarHBondContact O-N 2.99Å; I241-L244 PolarHBondContact O-N 3.41Å; I241-K245 HydrophobicContact CG2-CB 4.4Å; I241-K245 WeakPolarHBondContact O-CA 3.48Å; I241-K245 VanDerWaalsContact O-CB 3.26Å; I241-K245 WeakPolarHBondContact O-CB 3.45Å; I241-K245 PolarHBondContact O-N 2.92Å; I241-T248 HydrophobicContact CB-CG2 4.41Å; I241-T248 HydrophobicContact CG2-CG2 4.03Å
242I91.6Very high94.1Very high82 Ų8268.3 Ų68.342%0.42134%0.339SS..Hα-helixtrans-64.3-42.1177.3-69.8165.4000110.5A238 Y239 D240 L244 G246 T248A238-I242 WeakPolarHBondContact O-CB 3.38Å; A238-I242 WeakPolarHBondContact O-CD1 3.42Å; A238-I242 WeakPolarHBondContact O-CG1 3.39Å; A238-I242 PolarHBondContact O-N 3.32Å; Y239-I242 PolarHBondContact O-N 2.71Å; D240-I242 VanDerWaalsContact C-N 3.35Å; D240-I242 PolarHBondContact O-N 2.61Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 2.96Å; I242-G246 WeakPolarHBondContact O-CA 3.36Å; I242-G246 PolarHBondContact O-N 3.31Å; I242-T248 HydrophobicContact CD1-CG2 4.41Å; I242-T248 HydrophobicContact CG1-CG2 4.04Å
243R94Very high94.3Very high177 Ų17764.1 Ų64.167%0.66832%0.32SS*.Hα-helixtrans-60.4-41.8175.6-175.8-176.266.8-148.5-11.1112Y239 D240Y239-R243 WeakPolarHBondContact O-CB 3.03Å; Y239-R243 PolarHBondContact O-N 3.11Å; D240-R243 PolarHBondContact O-N 3.18Å; D240-R243 IonicContact OD1-CZ 3.34Å; D240-R243 IonicContact OD1-NH1 3.35Å; D240-R243 PolarHBondContact OD1-NH1 2.82Å; D240-R243 IonicContact OD1-NH2 2.98Å; D240-R243 PolarHBondContact OD1-NH2 2.99Å
244L95.8Very high94.4Very high143 Ų14364.5 Ų64.575%0.74933%0.325SS*.Hα-helixtrans-83.5-38-174.9-67.7170000113.8D240 I241 I242D240-L244 WeakPolarHBondContact O-CB 3.26Å; D240-L244 VanDerWaalsContact O-CG 3.23Å; D240-L244 WeakPolarHBondContact O-CG 3.35Å; D240-L244 PolarHBondContact O-N 3.38Å; I241-L244 PolarHBondContact O-N 3.41Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 2.96Å
245K95.2Very high94.5Very high77 Ų7765 Ų6534%0.33533%0.327SS..Hα-helixtrans-111.5-17.6-171.9-173.5-177.7173.3-164.20113.4I241 Y247 S249 W250I241-K245 HydrophobicContact CG2-CB 4.4Å; I241-K245 WeakPolarHBondContact O-CA 3.48Å; I241-K245 VanDerWaalsContact O-CB 3.26Å; I241-K245 WeakPolarHBondContact O-CB 3.45Å; I241-K245 PolarHBondContact O-N 2.92Å; K245-Y247 VanDerWaalsContact C-N 3.32Å; K245-Y247 HydrophobicContact CD-CE2 4.37Å; K245-Y247 VanDerWaalsContact CE-CE2 3.42Å; K245-Y247 HydrophobicContact CG-CE1 4.43Å; K245-Y247 PolarHBondContact O-N 3.04Å; K245-S249 PolarHBondContact NZ-OG 3.43Å; K245-W250 VanDerWaalsContact NZ-CD1 3.29Å
246G93.4Very high94.8Very high49 Ų4963.6 Ų63.651%0.50532%0.319SS..SBendtrans87.5-15.1-174.700000114.9I242I242-G246 WeakPolarHBondContact O-CA 3.36Å; I242-G246 PolarHBondContact O-N 3.31Å
247Y92.8Very high95Very high74 Ų7463.8 Ų63.829%0.2932%0.316SS..SBendtrans-165.1163-178.557.6-88.6000112.6M32 K245M32-Y247 HydrophobicContact CB-CD2 3.49Å; M32-Y247 VanDerWaalsContact CB-CD2 3.49Å; M32-Y247 HydrophobicContact CB-CE2 3.78Å; M32-Y247 HydrophobicContact CB-CG 4.11Å; M32-Y247 HydrophobicContact CG-CD1 4.18Å; M32-Y247 HydrophobicContact CG-CD2 3.6Å; M32-Y247 HydrophobicContact CG-CE1 4.29Å; M32-Y247 HydrophobicContact CG-CE2 3.7Å; M32-Y247 HydrophobicContact CG-CG 3.86Å; M32-Y247 HydrophobicContact SD-CD2 4.4Å; M32-Y247 HydrophobicContact SD-CE1 4.37Å; M32-Y247 HydrophobicContact SD-CE2 3.88Å; K245-Y247 VanDerWaalsContact C-N 3.32Å; K245-Y247 HydrophobicContact CD-CE2 4.37Å; K245-Y247 VanDerWaalsContact CE-CE2 3.42Å; K245-Y247 HydrophobicContact CG-CE1 4.43Å; K245-Y247 PolarHBondContact O-N 3.04Å
248T93.5Very high95.3Very high41 Ų4164.8 Ų64.825%0.25232%0.323SS..  trans-98.8146.6166.961.20000110.4V33 I241 I242V33-T248 WeakPolarHBondContact CG2-O 3.49Å; I241-T248 HydrophobicContact CB-CG2 4.41Å; I241-T248 HydrophobicContact CG2-CG2 4.03Å; I242-T248 HydrophobicContact CD1-CG2 4.41Å; I242-T248 HydrophobicContact CG1-CG2 4.04Å
249S97.4Very high95.9Very high5 Ų563.5 Ų63.54%0.03531%0.312CS..  trans-156.3-64.1178.5650000113.5M32 A36 K245 A251 I252 G253M32-S249 WeakPolarHBondContact O-CB 3.44Å; A36-S249 VanDerWaalsContact CB-O 3.26Å; A36-S249 WeakPolarHBondContact CB-O 3.19Å; K245-S249 PolarHBondContact NZ-OG 3.43Å; S249-A251 PolarHBondContact O-N 3.48Å; S249-I252 WeakPolarHBondContact O-CG2 3.37Å; S249-I252 PolarHBondContact O-N 3.43Å; S249-G253 PolarHBondContact O-N 3.08Å
250W98.2Very high96.3Very high160 Ų16057.9 Ų57.961%0.60629%0.29SS*.Hα-helixtrans-61.5-49.9-166.2-52.9134.6000114.3A36 K245 I252 G253 L254A36-W250 HydrophobicContact CB-CE3 3.95Å; A36-W250 HydrophobicContact CB-CZ3 4.23Å; K245-W250 VanDerWaalsContact NZ-CD1 3.29Å; W250-I252 PolarHBondContact O-N 2.94Å; W250-G253 PolarHBondContact O-N 3.46Å; W250-L254 PolarHBondContact O-N 2.91Å
251A98Very high96.5Very high47 Ų4758 Ų5839%0.38829%0.291SS..Hα-helixtrans-66.3-37.6-177.400000112.5L165 S249 L254 T255L165-A251 HydrophobicContact CD1-CB 3.59Å; L165-A251 HydrophobicContact CD2-CB 4.4Å; S249-A251 PolarHBondContact O-N 3.48Å; A251-L254 PolarHBondContact O-N 2.88Å; A251-T255 PolarHBondContact O-N 2.74Å; A251-T255 PolarHBondContact O-OG1 2.69Å
252I98Very high96.8Very high16 Ų1655 Ų558%0.08228%0.275CS..Hα-helixtrans-71.8-33174.6-173.963.6000111.7V33 V136 T161 L165 S249 W250 T255 C256V33-I252 HydrophobicContact CB-CG2 4.44Å; V33-I252 HydrophobicContact CG1-CG1 4.22Å; V33-I252 HydrophobicContact CG1-CG2 3.87Å; V33-I252 HydrophobicContact CG2-CG2 4.09Å; V136-I252 HydrophobicContact CG1-CD1 3.87Å; V136-I252 HydrophobicContact CG1-CG1 3.56Å; T161-I252 HydrophobicContact CG2-CD1 4.44Å; L165-I252 HydrophobicContact CD2-CB 4.12Å; L165-I252 HydrophobicContact CD2-CD1 4.43Å; S249-I252 WeakPolarHBondContact O-CG2 3.37Å; S249-I252 PolarHBondContact O-N 3.43Å; W250-I252 PolarHBondContact O-N 2.94Å; I252-T255 HydrophobicContact CD1-CG2 4.27Å; I252-T255 WeakPolarHBondContact O-CB 3.31Å; I252-T255 PolarHBondContact O-N 2.54Å; I252-C256 PolarHBondContact O-N 3.16Å; I252-C256 PolarHBondContact O-SG 2.83Å
253G98.4Very high97.1Very high0 Ų051.2 Ų51.20%026%0.256CS..Hα-helixtrans-60.8-45.9171.500000113A36 S40 S249 W250 T255 C256 R257A36-G253 WeakPolarHBondContact O-CA 3.24Å; S40-G253 WeakPolarHBondContact CB-O 3.35Å; S249-G253 PolarHBondContact O-N 3.08Å; W250-G253 PolarHBondContact O-N 3.46Å; G253-T255 VanDerWaalsContact C-N 3.31Å; G253-T255 PolarHBondContact O-N 3.48Å; G253-C256 WeakPolarHBondContact O-CB 3.48Å; G253-C256 PolarHBondContact O-N 3.49Å; G253-R257 PolarHBondContact O-N 3.07Å
254L98.5Very high97.3Very high89 Ų8944.6 Ų44.647%0.46623%0.234SC..Hα-helixtrans-66-32.5174.6-68.6174.5000112.8W250 A251 R257 S258W250-L254 PolarHBondContact O-N 2.91Å; A251-L254 PolarHBondContact O-N 2.88Å; L254-R257 PolarHBondContact O-N 3.31Å; L254-S258 PolarHBondContact O-N 2.96Å; L254-S258 PolarHBondContact O-OG 3.37Å
255T98.6Very high97.3Very high9 Ų942.1 Ų42.16%0.05522%0.221CC..Hα-helixtrans-61.7-48.1171.7-58.20000110.3M164 A251 I252 G253 R257 S258 L259M164-T255 HydrophobicContact CB-CG2 3.93Å; M164-T255 HydrophobicContact CE-CG2 4.12Å; M164-T255 HydrophobicContact CG-CG2 3.73Å; M164-T255 HydrophobicContact SD-CG2 3.58Å; M164-T255 VanDerWaalsContact SD-CG2 3.58Å; A251-T255 PolarHBondContact O-N 2.74Å; A251-T255 PolarHBondContact O-OG1 2.69Å; I252-T255 HydrophobicContact CD1-CG2 4.27Å; I252-T255 WeakPolarHBondContact O-CB 3.31Å; I252-T255 PolarHBondContact O-N 2.54Å; G253-T255 VanDerWaalsContact C-N 3.31Å; G253-T255 PolarHBondContact O-N 3.48Å; T255-R257 PolarHBondContact O-N 2.85Å; T255-S258 PolarHBondContact O-N 2.86Å; T255-L259 PolarHBondContact O-N 3.47Å
256C98.7Very high97.4Very high0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-60.9-44.3176.6-64.20000112A37 T41 I252 G253 S258 L259 C260A37-C256 HydrophobicContact CB-CB 3.89Å; T41-C256 HydrophobicContact CG2-CB 4.41Å; I252-C256 PolarHBondContact O-N 3.16Å; I252-C256 PolarHBondContact O-SG 2.83Å; G253-C256 WeakPolarHBondContact O-CB 3.48Å; G253-C256 PolarHBondContact O-N 3.49Å; C256-S258 VanDerWaalsContact C-N 3.35Å; C256-S258 PolarHBondContact O-N 2.84Å; C256-L259 PolarHBondContact O-N 2.7Å; C256-C260 WeakPolarHBondContact O-CB 3.36Å; C256-C260 PolarHBondContact O-N 2.85Å; C256-C260 PolarHBondContact O-SG 2.97Å
257R98.3Very high97.7Very high86 Ų8643.1 Ų43.133%0.32522%0.218SC..Hα-helixtrans-56.9-47.7174.7175.2-169.1174.7-156.21.1111.8S40 T41 V44 G253 L254 T255 C260 N261S40-R257 VanDerWaalsContact O-CD 3.29Å; S40-R257 WeakPolarHBondContact O-CD 3.44Å; S40-R257 VanDerWaalsContact O-CG 3.31Å; S40-R257 WeakPolarHBondContact O-CG 3.41Å; T41-R257 HydrophobicContact CG2-CB 4.48Å; V44-R257 HydrophobicContact CG1-CG 4.25Å; V44-R257 HydrophobicContact CG2-CG 4.39Å; G253-R257 PolarHBondContact O-N 3.07Å; L254-R257 PolarHBondContact O-N 3.31Å; T255-R257 PolarHBondContact O-N 2.85Å; R257-C260 PolarHBondContact O-N 3.3Å; R257-N261 VanDerWaalsContact O-CB 3.24Å; R257-N261 WeakPolarHBondContact O-CB 3.19Å; R257-N261 PolarHBondContact O-N 3.29Å
258S98.5Very high97.9Very high47 Ų4744.7 Ų44.733%0.32923%0.228SC..Hα-helixtrans-62.8-45.1-177.2-58.40000111.3L254 T255 C256 N261 A262L254-S258 PolarHBondContact O-N 2.96Å; L254-S258 PolarHBondContact O-OG 3.37Å; T255-S258 PolarHBondContact O-N 2.86Å; C256-S258 VanDerWaalsContact C-N 3.35Å; C256-S258 PolarHBondContact O-N 2.84Å; S258-N261 PolarHBondContact O-N 3.22Å; S258-A262 PolarHBondContact O-N 3.29Å; S258-A262 VanDerWaalsContact O-N 3.11Å
259L98.7Very high98.1Very high0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-64.7-47.5176.2-179.156.2000112V134 I159 M164 T255 C256 N261 A262 L263 Y271 L273 V295V134-L259 HydrophobicContact CG1-CD2 3.72Å; V134-L259 HydrophobicContact CG2-CD2 4.1Å; I159-L259 HydrophobicContact CG2-CD2 4.43Å; M164-L259 HydrophobicContact SD-CB 4.36Å; T255-L259 PolarHBondContact O-N 3.47Å; C256-L259 PolarHBondContact O-N 2.7Å; L259-N261 VanDerWaalsContact C-N 3.29Å; L259-N261 PolarHBondContact O-N 3.16Å; L259-A262 PolarHBondContact O-N 2.96Å; L259-L263 HydrophobicContact CD1-CD1 4.22Å; L259-L263 HydrophobicContact CD1-CG 4.33Å; L259-L263 HydrophobicContact CG-CD1 4.07Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 3.32Å; L259-Y271 HydrophobicContact CD1-CD2 4.24Å; L259-L273 HydrophobicContact CD1-CD1 3.84Å; L259-L273 HydrophobicContact CD1-CD2 4.35Å; L259-L273 HydrophobicContact CD2-CD2 3.98Å; L259-V295 HydrophobicContact CD1-CG1 4.03Å; L259-V295 HydrophobicContact CD1-CG2 4.18Å
260C98.5Very high98.2Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-61-39.2177.2-67.10000111.6T41 V44 I91 C256 R257 A262 L263 L264T41-C260 HydrophobicContact CG2-CB 4.14Å; V44-C260 HydrophobicContact CG2-CB 4.49Å; I91-C260 HydrophobicContact CD1-CB 4.09Å; C256-C260 WeakPolarHBondContact O-CB 3.36Å; C256-C260 PolarHBondContact O-N 2.85Å; C256-C260 PolarHBondContact O-SG 2.97Å; R257-C260 PolarHBondContact O-N 3.3Å; C260-A262 PolarHBondContact O-N 3.22Å; C260-L263 PolarHBondContact O-N 3Å; C260-L264 WeakPolarHBondContact O-CB 3.21Å; C260-L264 VanDerWaalsContact O-CG 3.24Å; C260-L264 WeakPolarHBondContact O-CG 3.23Å; C260-L264 PolarHBondContact O-N 2.98Å
261N98.1Very high98.2Very high52 Ų5241.3 Ų41.328%0.27822%0.22SC..Hα-helixtrans-61.5-44.2176.9-170.840.1000111.8V44 R257 S258 L259 N265 L267V44-N261 HydrophobicContact CB-CB 4.38Å; V44-N261 HydrophobicContact CG1-CB 4.07Å; V44-N261 HydrophobicContact CG2-CB 4.38Å; R257-N261 VanDerWaalsContact O-CB 3.24Å; R257-N261 WeakPolarHBondContact O-CB 3.19Å; R257-N261 PolarHBondContact O-N 3.29Å; S258-N261 PolarHBondContact O-N 3.22Å; L259-N261 VanDerWaalsContact C-N 3.29Å; L259-N261 PolarHBondContact O-N 3.16Å; N261-N265 WeakPolarHBondContact O-CB 3.37Å; N261-N265 PolarHBondContact O-N 3.5Å; N261-N265 PolarHBondContact O-ND2 2.89Å; N261-N265 PolarHBondContact OD1-ND2 3.43Å; N261-L267 WeakPolarHBondContact ND2-CD1 3.31Å
262A98.5Very high98.2Very high0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-63.7-40.3177.500000112.8S258 L259 C260 N266 L267 Y271 V295S258-A262 PolarHBondContact O-N 3.29Å; S258-A262 VanDerWaalsContact O-N 3.11Å; L259-A262 PolarHBondContact O-N 2.96Å; C260-A262 PolarHBondContact O-N 3.22Å; A262-N266 WeakPolarHBondContact O-CA 3.44Å; A262-N266 PolarHBondContact O-N 2.82Å; A262-N266 VanDerWaalsContact O-N 3.11Å; A262-L267 HydrophobicContact CB-CB 4.3Å; A262-L267 HydrophobicContact CB-CD1 4.45Å; A262-L267 PolarHBondContact O-N 3.49Å; A262-Y271 HydrophobicContact CB-CE2 3.76Å; A262-V295 HydrophobicContact CB-CB 4.45Å; A262-V295 HydrophobicContact CB-CG1 4.04Å
263L98.4Very high98.3Very high4 Ų438.6 Ų38.62%0.02120%0.2CC..Hα-helixtrans-67.3-52.4176.7-69171000111.8I91 I132 V134 I159 L259 C260 N265 V295 T296 S297I91-L263 HydrophobicContact CD1-CB 3.52Å; I91-L263 HydrophobicContact CD1-CD1 3.83Å; I91-L263 HydrophobicContact CD1-CG 4.33Å; I91-L263 HydrophobicContact CG1-CB 4.42Å; I91-L263 HydrophobicContact CG1-CD1 4.38Å; I132-L263 HydrophobicContact CD1-CD2 3.87Å; I132-L263 HydrophobicContact CG2-CD1 4.14Å; I132-L263 HydrophobicContact CG2-CD2 4.41Å; V134-L263 HydrophobicContact CG2-CD1 3.98Å; I159-L263 HydrophobicContact CD1-CD2 4.25Å; L259-L263 HydrophobicContact CD1-CD1 4.22Å; L259-L263 HydrophobicContact CD1-CG 4.33Å; L259-L263 HydrophobicContact CG-CD1 4.07Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 3.32Å; C260-L263 PolarHBondContact O-N 3Å; L263-N265 PolarHBondContact O-N 3.12Å; L263-V295 HydrophobicContact CD2-CG1 3.4Å; L263-V295 VanDerWaalsContact CD2-CG1 3.4Å; L263-V295 HydrophobicContact CG-CG1 3.78Å; L263-T296 WeakPolarHBondContact CD2-O 3.37Å; L263-S297 WeakPolarHBondContact O-CA 3.38Å; L263-S297 WeakPolarHBondContact O-CB 3.4Å
264L97.4Very high98.3Very high37 Ų3738.6 Ų38.619%0.19420%0.2CC..Hα-helixtrans-65.9-39.5-176.4-68.4177.1000112.7V25 A45 D90 I91 C260V25-L264 HydrophobicContact CG2-CD1 3.94Å; A45-L264 HydrophobicContact CB-CD1 4.48Å; D90-L264 HydrophobicContact CB-CD2 3.93Å; I91-L264 HydrophobicContact CD1-CD1 4.46Å; I91-L264 HydrophobicContact CD1-CD2 3.65Å; I91-L264 HydrophobicContact CD1-CG 3.65Å; I91-L264 HydrophobicContact CG1-CD2 4.09Å; C260-L264 WeakPolarHBondContact O-CB 3.21Å; C260-L264 VanDerWaalsContact O-CG 3.24Å; C260-L264 WeakPolarHBondContact O-CG 3.23Å; C260-L264 PolarHBondContact O-N 2.98Å
265N96.8Very high98.2Very high91 Ų9134.4 Ų34.449%0.48718%0.178SC..THydrogen-bonded Turntrans-100.99.2-174-64.9-65.6000113.6N261 L263 L267N261-N265 WeakPolarHBondContact O-CB 3.37Å; N261-N265 PolarHBondContact O-N 3.5Å; N261-N265 PolarHBondContact O-ND2 2.89Å; N261-N265 PolarHBondContact OD1-ND2 3.43Å; L263-N265 PolarHBondContact O-N 3.12Å; N265-L267 HydrophobicContact CB-CD2 3.73Å; N265-L267 HydrophobicContact CB-CG 3.99Å; N265-L267 PolarHBondContact O-N 3.48Å
266N97.7Very high98.2Very high67 Ų6735.6 Ų35.636%0.35819%0.186SC..THydrogen-bonded Turntrans4953.6179.1-16634.8000112.5A262 H268 T296 S297A262-N266 WeakPolarHBondContact O-CA 3.44Å; A262-N266 PolarHBondContact O-N 2.82Å; A262-N266 VanDerWaalsContact O-N 3.11Å; N266-H268 VanDerWaalsContact C-N 3.32Å; N266-H268 PolarHBondContact ND2-NE2 3.41Å; N266-H268 PolarHBondContact O-CD2 3.16Å; N266-H268 PolarHBondContact O-N 3.28Å; N266-H268 PolarHBondContact OD1-NE2 2.92Å; N266-T296 WeakPolarHBondContact OD1-CA 3.41Å; N266-T296 VanDerWaalsContact OD1-CB 3.25Å; N266-T296 WeakPolarHBondContact OD1-CB 3.16Å; N266-S297 PolarHBondContact OD1-N 3.46Å; N266-S297 PolarHBondContact OD1-OG 3.17Å
267L97.9Very high98.1Very high80 Ų8035.6 Ų35.642%0.41919%0.186SC..  trans-79-9.7-169.1-61.4-177.1000114.8N261 A262 N265 T269N261-L267 WeakPolarHBondContact ND2-CD1 3.31Å; A262-L267 HydrophobicContact CB-CB 4.3Å; A262-L267 HydrophobicContact CB-CD1 4.45Å; A262-L267 PolarHBondContact O-N 3.49Å; N265-L267 HydrophobicContact CB-CD2 3.73Å; N265-L267 HydrophobicContact CB-CG 3.99Å; N265-L267 PolarHBondContact O-N 3.48Å; L267-T269 VanDerWaalsContact C-N 3.33Å; L267-T269 WeakPolarHBondContact CB-OG1 3.33Å; L267-T269 PolarHBondContact O-N 3.38Å
268H98.1Very high98.1Very high107 Ų10738 Ų3850%0.49520%0.198SC..  trans54.647.2-175.6-65.5-102.2000112.3N266 L294 V295 T296N266-H268 VanDerWaalsContact C-N 3.32Å; N266-H268 PolarHBondContact ND2-NE2 3.41Å; N266-H268 PolarHBondContact O-CD2 3.16Å; N266-H268 PolarHBondContact O-N 3.28Å; N266-H268 PolarHBondContact OD1-NE2 2.92Å; H268-L294 VanDerWaalsContact C-CD1 3.46Å; H268-L294 HydrophobicContact CB-CD1 4.15Å; H268-L294 VanDerWaalsContact O-CD1 3.27Å; H268-L294 WeakPolarHBondContact O-CD1 3.05Å; H268-V295 VanDerWaalsContact CA-O 3.22Å; H268-V295 WeakPolarHBondContact CA-O 3.31Å; H268-V295 PolarHBondContact N-O 3.47Å; H268-T296 WeakPolarHBondContact ND1-CG2 3.21Å
269T98.1Very high97.9Very high42 Ų4238.7 Ų38.726%0.25821%0.214SC..EExtended strand (participates in β ladder)trans-99.4142-175.1-490000111.5L267 Y271 V295L267-T269 VanDerWaalsContact C-N 3.33Å; L267-T269 WeakPolarHBondContact CB-OG1 3.33Å; L267-T269 PolarHBondContact O-N 3.38Å; T269-Y271 HydrophobicContact CG2-CD1 4.49Å; T269-Y271 HydrophobicContact CG2-CD2 4.43Å; T269-Y271 HydrophobicContact CG2-CE1 3.82Å; T269-Y271 HydrophobicContact CG2-CE2 3.77Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.41Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.47Å; T269-V295 PolarHBondContact N-O 2.96Å; T269-V295 WeakPolarHBondContact O-CB 3.3Å; T269-V295 PolarHBondContact O-N 3.39Å
270V98.5Very high97.8Very high49 Ų4940.1 Ų40.130%0.29722%0.221SC..EExtended strand (participates in β ladder)trans-90.5127.1176.7179.40000111.3P292 C293 L294 I304V270-P292 HydrophobicContact CG1-CB 3.8Å; V270-C293 VanDerWaalsContact CA-O 3.26Å; V270-C293 WeakPolarHBondContact CA-O 3.38Å; V270-L294 HydrophobicContact CG2-CD1 4.14Å; V270-I304 HydrophobicContact CB-CD1 4.45Å; V270-I304 HydrophobicContact CG1-CD1 3.81Å; V270-I304 HydrophobicContact CG2-CD1 3.7Å
271Y98.6Very high97.7Very high44 Ų4441.9 Ų41.917%0.17323%0.229CC..EExtended strand (participates in β ladder)trans-136.1145.1173.7-62.5-59.1000111.4M164 L259 A262 T269 L273 C293 V295M164-Y271 HydrophobicContact CE-CD1 3.46Å; M164-Y271 VanDerWaalsContact CE-CD1 3.46Å; M164-Y271 HydrophobicContact CE-CD2 4.28Å; M164-Y271 HydrophobicContact CE-CE1 3.46Å; M164-Y271 VanDerWaalsContact CE-CE1 3.46Å; M164-Y271 HydrophobicContact CE-CE2 4.27Å; M164-Y271 HydrophobicContact CE-CG 3.89Å; M164-Y271 HydrophobicContact CG-CD1 4.34Å; M164-Y271 HydrophobicContact SD-CD1 3.99Å; M164-Y271 HydrophobicContact SD-CD2 4.42Å; M164-Y271 HydrophobicContact SD-CG 3.93Å; L259-Y271 HydrophobicContact CD1-CD2 4.24Å; A262-Y271 HydrophobicContact CB-CE2 3.76Å; T269-Y271 HydrophobicContact CG2-CD1 4.49Å; T269-Y271 HydrophobicContact CG2-CD2 4.43Å; T269-Y271 HydrophobicContact CG2-CE1 3.82Å; T269-Y271 HydrophobicContact CG2-CE2 3.77Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.41Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.47Å; Y271-L273 PolarHBondContact O-N 2.9Å; Y271-C293 PolarHBondContact N-O 3.1Å; Y271-C293 PolarHBondContact O-N 3.44Å; Y271-V295 HydrophobicContact CD2-CB 4.38Å; Y271-V295 HydrophobicContact CD2-CG2 3.89Å
272P98.3Very high97.6Very high6 Ų641.6 Ų41.64%0.03924%0.239CC..EExtended strand (participates in β ladder)trans-78.9107.1170.732-28.9000109.2M164 S167 Y188 L291M164-P272 WeakPolarHBondContact CA-O 3.45Å; M164-P272 WeakPolarHBondContact CB-O 3.22Å; M164-P272 PolarHBondContact N-O 3.3Å; S167-P272 VanDerWaalsContact OG-CG 3.25Å; S167-P272 WeakPolarHBondContact OG-CG 3.17Å; Y188-P272 HydrophobicContact CD1-CB 4.12Å; Y188-P272 HydrophobicContact CD1-CG 3.95Å; Y188-P272 HydrophobicContact CE1-CG 4.42Å; P272-L291 WeakPolarHBondContact CA-O 3.15Å
273L98.8Very high97.5Very high0 Ų041.8 Ų41.80%024%0.24CC..EExtended strand (participates in β ladder)trans-130.6150.4-170-66168.5000110.2I159 M164 L259 Y271 V275 S290 L291 C293 V295 I300I159-L273 HydrophobicContact CG2-CB 4.02Å; I159-L273 HydrophobicContact CG2-CD1 3.86Å; I159-L273 HydrophobicContact CG2-CD2 4.28Å; I159-L273 HydrophobicContact CG2-CG 4.28Å; M164-L273 HydrophobicContact CB-CD2 4.2Å; M164-L273 HydrophobicContact SD-CD2 4.04Å; L259-L273 HydrophobicContact CD1-CD1 3.84Å; L259-L273 HydrophobicContact CD1-CD2 4.35Å; L259-L273 HydrophobicContact CD2-CD2 3.98Å; Y271-L273 PolarHBondContact O-N 2.9Å; L273-V275 HydrophobicContact CB-CG1 4.43Å; L273-V275 WeakPolarHBondContact O-CG2 3.47Å; L273-V275 PolarHBondContact O-N 3.43Å; L273-S290 VanDerWaalsContact O-CA 3.26Å; L273-S290 WeakPolarHBondContact O-CA 3.48Å; L273-L291 PolarHBondContact N-O 3.07Å; L273-L291 VanDerWaalsContact N-O 3.08Å; L273-L291 PolarHBondContact O-N 2.65Å; L273-C293 HydrophobicContact CD1-CB 4.44Å; L273-V295 HydrophobicContact CD1-CG2 3.49Å; L273-V295 VanDerWaalsContact CD1-CG2 3.49Å; L273-I300 HydrophobicContact CD1-CD1 3.89Å
274S98.7Very high97.4Very high0 Ų047.2 Ų47.20%027%0.269CS..EExtended strand (participates in β ladder)trans-74.8118.9177.7-165.60000111D141 G160 L289D141-S274 WeakPolarHBondContact CA-OG 3.3Å; D141-S274 WeakPolarHBondContact OD1-CB 3.5Å; D141-S274 PolarHBondContact OD1-OG 2.99Å; G160-S274 PolarHBondContact N-O 2.94Å; G160-S274 PolarHBondContact O-N 2.9Å; S274-L289 WeakPolarHBondContact CA-O 3.36Å
275V98.2Very high97.3Very high1 Ų148.7 Ų48.71%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-146.7160.6-169.1-68.50000109.3L273 V277 Y288 L289 C293 I300 L303L273-V275 HydrophobicContact CB-CG1 4.43Å; L273-V275 WeakPolarHBondContact O-CG2 3.47Å; L273-V275 PolarHBondContact O-N 3.43Å; V275-V277 HydrophobicContact CG2-CG1 4.22Å; V275-V277 WeakPolarHBondContact O-CG1 3.46Å; V275-V277 PolarHBondContact O-N 2.93Å; V275-Y288 VanDerWaalsContact C-CD1 3.42Å; V275-Y288 VanDerWaalsContact O-CA 3.24Å; V275-Y288 WeakPolarHBondContact O-CA 3.24Å; V275-L289 PolarHBondContact N-O 3.26Å; V275-L289 VanDerWaalsContact N-O 3.07Å; V275-L289 PolarHBondContact O-N 3.02Å; V275-C293 VanDerWaalsContact CG1-SG 3.51Å; V275-I300 HydrophobicContact CG1-CD1 4.28Å; V275-I300 HydrophobicContact CG1-CG1 3.89Å; V275-I300 HydrophobicContact CG1-CG2 4.48Å; V275-L303 HydrophobicContact CB-CD2 4.03Å; V275-L303 HydrophobicContact CG1-CD2 4.31Å; V275-L303 HydrophobicContact CG2-CD1 4.44Å; V275-L303 HydrophobicContact CG2-CD2 3.46Å; V275-L303 VanDerWaalsContact CG2-CD2 3.46Å
276P97.5Very high97.2Very high34 Ų3447.5 Ų47.522%0.22127%0.268CS..EExtended strand (participates in β ladder)trans-65.7132.4174.631.4-37.7000110A155 V287 Y288A155-P276 HydrophobicContact CB-CG 3.8Å; P276-V287 WeakPolarHBondContact CA-O 3.49Å; P276-Y288 HydrophobicContact CB-CD2 4.29Å; P276-Y288 HydrophobicContact CB-CE2 3.84Å; P276-Y288 HydrophobicContact CG-CE2 4.49Å
277V97.1Very high97.2Very high1 Ų144.3 Ų44.31%0.00625%0.251CS..  trans-118.18.6-176.7-60.90000113.8V275 G279 I280 I283 V287 L289 L291V275-V277 HydrophobicContact CG2-CG1 4.22Å; V275-V277 WeakPolarHBondContact O-CG1 3.46Å; V275-V277 PolarHBondContact O-N 2.93Å; V277-G279 PolarHBondContact O-N 3.35Å; V277-I280 WeakPolarHBondContact O-CB 3.48Å; V277-I280 PolarHBondContact O-N 3.45Å; V277-I283 HydrophobicContact CG2-CD1 3.98Å; V277-I283 HydrophobicContact CG2-CG2 4.19Å; V277-V287 HydrophobicContact CG2-CG2 3.84Å; V277-V287 PolarHBondContact N-O 3.1Å; V277-V287 VanDerWaalsContact N-O 3.14Å; V277-L289 HydrophobicContact CG1-CB 4.06Å; V277-L289 HydrophobicContact CG2-CB 3.97Å; V277-L289 HydrophobicContact CG2-CD1 3.95Å; V277-L289 HydrophobicContact CG2-CG 4.26Å; V277-L291 HydrophobicContact CB-CD1 4.2Å; V277-L291 HydrophobicContact CG1-CD1 3.52Å; V277-L291 HydrophobicContact CG1-CG 3.89Å
278K96.8Very high97.2Very high135 Ų13540.7 Ų40.759%0.58723%0.232SC*.THydrogen-bonded Turntrans-56128177-176.2171.3177.81710110.9N284 E285K278-N284 WeakPolarHBondContact CD-O 3.09Å; K278-N284 WeakPolarHBondContact CE-O 3.18Å; K278-N284 WeakPolarHBondContact CG-O 3.47Å; K278-E285 WeakPolarHBondContact CB-O 3.47Å
279G96.2Very high97.2Very high63 Ų6335.6 Ų35.665%0.64921%0.208SC*.THydrogen-bonded Turntrans88.8-5.2-176.500000114.5V277 I283V277-G279 PolarHBondContact O-N 3.35Å; G279-I283 PolarHBondContact N-O 3.38Å
280I95.8Very high97.2Very high30 Ų3033.6 Ų33.615%0.15420%0.196CC..SBendtrans-104.4139.8-179-52-179.9000109.4V277 G282 I283 L291 L303 P305V277-I280 WeakPolarHBondContact O-CB 3.48Å; V277-I280 PolarHBondContact O-N 3.45Å; I280-G282 PolarHBondContact O-N 3.05Å; I280-I283 WeakPolarHBondContact O-CB 3.31Å; I280-I283 PolarHBondContact O-N 3.33Å; I280-L291 HydrophobicContact CB-CD1 4.5Å; I280-L291 HydrophobicContact CD1-CD1 4.29Å; I280-L291 HydrophobicContact CG2-CD1 3.97Å; I280-L303 HydrophobicContact CD1-CB 4.14Å; I280-L303 HydrophobicContact CD1-CD1 3.36Å; I280-L303 HydrophobicContact CD1-CG 4.37Å; I280-P305 HydrophobicContact CG2-CB 4.2Å; I280-P305 HydrophobicContact CG2-CG 4.33Å
281H96.2Very high97.2Very high36 Ų3631.4 Ų31.417%0.16718%0.183CC..THydrogen-bonded Turntrans54.723.4179.8-62.2-51.1000114.4I283 L306 L313 L316 R317H281-I283 VanDerWaalsContact C-N 3.33Å; H281-L306 PolarHBondContact CE1-O 2.84Å; H281-L313 HydrophobicContact CB-CD1 3.68Å; H281-L316 HydrophobicContact CB-CD2 4.08Å; H281-R317 VanDerWaalsContact O-CZ 3.29Å; H281-R317 PolarHBondContact O-NE 2.87Å; H281-R317 PolarHBondContact O-NH2 3.32Å
282G95.3Very high97.2Very high47 Ų4729.3 Ų29.349%0.48518%0.175SC..THydrogen-bonded Turntrans76.314.4-17800000114.9I280I280-G282 PolarHBondContact O-N 3.05Å
283I96.7Very high97.2Very high4 Ų429 Ų292%0.02117%0.173CC..  trans-80.3123.4173.3-63164.2000108.4V277 G279 I280 H281 E285 V287 L289 L316 R317 A320V277-I283 HydrophobicContact CG2-CD1 3.98Å; V277-I283 HydrophobicContact CG2-CG2 4.19Å; G279-I283 PolarHBondContact N-O 3.38Å; I280-I283 WeakPolarHBondContact O-CB 3.31Å; I280-I283 PolarHBondContact O-N 3.33Å; H281-I283 VanDerWaalsContact C-N 3.33Å; I283-E285 WeakPolarHBondContact CG2-OE2 3.41Å; I283-V287 HydrophobicContact CG2-CG2 3.91Å; I283-L289 HydrophobicContact CD1-CD1 4.2Å; I283-L316 HydrophobicContact CD1-CG 4.27Å; I283-R317 HydrophobicContact CG1-CG 4.31Å; I283-A320 HydrophobicContact CD1-CB 3.84Å; I283-A320 HydrophobicContact CG1-CB 3.91Å; I283-A320 HydrophobicContact CG2-CB 3.83Å
284N96.4Very high97.1Very high118 Ų11830.9 Ų30.963%0.63118%0.182SC*.  trans-106.9-15.5-177.5-68-52.5000112.8K278K278-N284 WeakPolarHBondContact CD-O 3.09Å; K278-N284 WeakPolarHBondContact CE-O 3.18Å; K278-N284 WeakPolarHBondContact CG-O 3.47Å
285E95.1Very high97.1Very high68 Ų6830.9 Ų30.932%0.31818%0.182SC..SBendtrans-71.6146-179.5-59.575.6-168.600110.7K278 I283 V287 N324K278-E285 WeakPolarHBondContact CB-O 3.47Å; I283-E285 WeakPolarHBondContact CG2-OE2 3.41Å; E285-V287 HydrophobicContact CB-CG1 3.82Å; E285-V287 HydrophobicContact CB-CG2 4.43Å; E285-V287 PolarHBondContact O-N 3.48Å; E285-N324 HydrophobicContact CB-CB 4Å; E285-N324 HydrophobicContact CG-CB 3.89Å
286D95.8Very high97.2Very high65 Ų6531.2 Ų31.235%0.34819%0.185SC..  trans-80.275.4173.9-174.225.1000109.4Y145 K149Y145-D286 WeakPolarHBondContact CE2-O 3.26Å; K149-D286 IonicContact NZ-OD2 3.69Å
287V97.1Very high97.2Very high0 Ų033 Ų330%020%0.198CC..  trans-121.1154.3-178-60.40000111.8P276 V277 I283 E285 L289 A320 L323 N324 I327P276-V287 WeakPolarHBondContact CA-O 3.49Å; V277-V287 HydrophobicContact CG2-CG2 3.84Å; V277-V287 PolarHBondContact N-O 3.1Å; V277-V287 VanDerWaalsContact N-O 3.14Å; I283-V287 HydrophobicContact CG2-CG2 3.91Å; E285-V287 HydrophobicContact CB-CG1 3.82Å; E285-V287 HydrophobicContact CB-CG2 4.43Å; E285-V287 PolarHBondContact O-N 3.48Å; V287-L289 HydrophobicContact CG2-CD1 4.31Å; V287-L289 HydrophobicContact CG2-CG 4.5Å; V287-A320 HydrophobicContact CG2-CB 4.05Å; V287-L323 HydrophobicContact CG1-CB 4.48Å; V287-N324 HydrophobicContact CG1-CB 3.69Å; V287-I327 HydrophobicContact CB-CD1 4.36Å; V287-I327 HydrophobicContact CG1-CD1 3.98Å
288Y98.2Very high97.2Very high5 Ų535.6 Ų35.62%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-102.3133170.5-85.3-117.8000109D141 T144 Y145 R148 V275 P276 L323D141-Y288 WeakPolarHBondContact CB-O 3.34Å; D141-Y288 WeakPolarHBondContact O-CB 3.45Å; T144-Y288 HydrophobicContact CG2-CD1 3.38Å; T144-Y288 HydrophobicContact CG2-CE1 3.53Å; T144-Y288 HydrophobicContact CG2-CG 4.4Å; Y145-Y288 AromaticContact CD2-CD2 3.98Å; Y145-Y288 HydrophobicContact CD2-CD2 3.98Å; Y145-Y288 HydrophobicContact CD2-CE2 4.18Å; Y145-Y288 HydrophobicContact CG-CD2 4.36Å; R148-Y288 HydrophobicContact CB-CE2 4.49Å; R148-Y288 VanDerWaalsContact CG-OH 3.28Å; R148-Y288 WeakPolarHBondContact CG-OH 3.31Å; V275-Y288 VanDerWaalsContact C-CD1 3.42Å; V275-Y288 VanDerWaalsContact O-CA 3.24Å; V275-Y288 WeakPolarHBondContact O-CA 3.24Å; P276-Y288 HydrophobicContact CB-CD2 4.29Å; P276-Y288 HydrophobicContact CB-CE2 3.84Å; P276-Y288 HydrophobicContact CG-CE2 4.49Å; Y288-L323 WeakPolarHBondContact O-CD1 3.44Å
289L97.3Very high97.3Very high0 Ų029.2 Ų29.20%019%0.188CC..EExtended strand (participates in β ladder)trans-149.1161.1177.2-76.8171.4000109E192 S274 V275 V277 I283 V287 L291 L316 A320 L323E192-L289 HydrophobicContact CB-CD2 3.81Å; E192-L289 VanDerWaalsContact N-CD2 3.33Å; S274-L289 WeakPolarHBondContact CA-O 3.36Å; V275-L289 PolarHBondContact N-O 3.26Å; V275-L289 VanDerWaalsContact N-O 3.07Å; V275-L289 PolarHBondContact O-N 3.02Å; V277-L289 HydrophobicContact CG1-CB 4.06Å; V277-L289 HydrophobicContact CG2-CB 3.97Å; V277-L289 HydrophobicContact CG2-CD1 3.95Å; V277-L289 HydrophobicContact CG2-CG 4.26Å; I283-L289 HydrophobicContact CD1-CD1 4.2Å; V287-L289 HydrophobicContact CG2-CD1 4.31Å; V287-L289 HydrophobicContact CG2-CG 4.5Å; L289-L291 PolarHBondContact O-N 3.38Å; L289-L316 HydrophobicContact CD1-CD1 4.32Å; L289-A320 HydrophobicContact CD1-CB 3.59Å; L289-L323 HydrophobicContact CD2-CD1 3.28Å; L289-L323 HydrophobicContact CD2-CG 4.22Å; L289-L323 HydrophobicContact CG-CD1 3.94Å
290S98.5Very high97.4Very high0 Ų027 Ų270%016%0.162CC..EExtended strand (participates in β ladder)trans-79123.6178.9-56.70000112.2G162 T163 I190 G191 L273G162-S290 WeakPolarHBondContact CA-OG 3.31Å; T163-S290 PolarHBondContact N-OG 3.27Å; T163-S290 WeakPolarHBondContact OG1-CB 3.19Å; T163-S290 PolarHBondContact OG1-OG 3.21Å; I190-S290 WeakPolarHBondContact CB-O 3.4Å; G191-S290 PolarHBondContact N-O 3.34Å; G191-S290 VanDerWaalsContact O-CB 3.25Å; G191-S290 WeakPolarHBondContact O-CB 3.45Å; G191-S290 PolarHBondContact O-N 3.06Å; G191-S290 PolarHBondContact O-OG 3.29Å; L273-S290 VanDerWaalsContact O-CA 3.26Å; L273-S290 WeakPolarHBondContact O-CA 3.48Å
291L98Very high97.5Very high2 Ų227.5 Ų27.51%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-134.4159.2167.1-70.3179.9000109.2I190 P272 L273 V277 I280 L289 C293 L316I190-L291 HydrophobicContact CD1-CD2 4.07Å; P272-L291 WeakPolarHBondContact CA-O 3.15Å; L273-L291 PolarHBondContact N-O 3.07Å; L273-L291 VanDerWaalsContact N-O 3.08Å; L273-L291 PolarHBondContact O-N 2.65Å; V277-L291 HydrophobicContact CB-CD1 4.2Å; V277-L291 HydrophobicContact CG1-CD1 3.52Å; V277-L291 HydrophobicContact CG1-CG 3.89Å; I280-L291 HydrophobicContact CB-CD1 4.5Å; I280-L291 HydrophobicContact CD1-CD1 4.29Å; I280-L291 HydrophobicContact CG2-CD1 3.97Å; L289-L291 PolarHBondContact O-N 3.38Å; L291-C293 PolarHBondContact O-N 3.18Å; L291-C293 PolarHBondContact O-SG 3.36Å; L291-L316 HydrophobicContact CD2-CD2 4.32Å
292P98.3Very high97.5Very high1 Ų131.6 Ų31.61%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-63.8126.7173.7-17.130.5000111Y188 V270 I304 L306Y188-P292 HydrophobicContact CD1-CG 4.25Å; Y188-P292 HydrophobicContact CD2-CG 4.4Å; Y188-P292 HydrophobicContact CE1-CB 4.38Å; Y188-P292 HydrophobicContact CE1-CG 4.38Å; Y188-P292 HydrophobicContact CG-CG 4.27Å; V270-P292 HydrophobicContact CG1-CB 3.8Å; P292-I304 HydrophobicContact CB-CB 4.25Å; P292-I304 PolarHBondContact O-N 3.31Å; P292-L306 HydrophobicContact CG-CD1 3.73Å; P292-L306 HydrophobicContact CG-CD2 4.03Å; P292-L306 HydrophobicContact CG-CG 3.84Å
293C98.4Very high97.6Very high0 Ų031.9 Ų31.90%018%0.176CC..EExtended strand (participates in β ladder)trans-127137.5-173.2-61.70000110.7V270 Y271 L273 V275 L291 V295 I300 H302 L303V270-C293 VanDerWaalsContact CA-O 3.26Å; V270-C293 WeakPolarHBondContact CA-O 3.38Å; Y271-C293 PolarHBondContact N-O 3.1Å; Y271-C293 PolarHBondContact O-N 3.44Å; L273-C293 HydrophobicContact CD1-CB 4.44Å; V275-C293 VanDerWaalsContact CG1-SG 3.51Å; L291-C293 PolarHBondContact O-N 3.18Å; L291-C293 PolarHBondContact O-SG 3.36Å; C293-V295 PolarHBondContact O-N 3.14Å; C293-I300 HydrophobicContact CB-CD1 3.92Å; C293-I300 HydrophobicContact CB-CG2 3.97Å; C293-H302 CarbonylContact C-O 3.58Å; C293-H302 WeakPolarHBondContact CA-O 3.48Å; C293-L303 HydrophobicContact CB-CD2 4.35Å; C293-L303 WeakPolarHBondContact SG-CD2 3.46Å
294L98.6Very high97.6Very high38 Ų3834.9 Ų34.920%0.19919%0.192CC..EExtended strand (participates in β ladder)trans-81.2110.4170.9-176.364000110.4H268 V270 T296 S301 H302H268-L294 VanDerWaalsContact C-CD1 3.46Å; H268-L294 HydrophobicContact CB-CD1 4.15Å; H268-L294 VanDerWaalsContact O-CD1 3.27Å; H268-L294 WeakPolarHBondContact O-CD1 3.05Å; V270-L294 HydrophobicContact CG2-CD1 4.14Å; L294-T296 HydrophobicContact CG-CG2 4.43Å; L294-S301 WeakPolarHBondContact CB-OG 3.44Å; L294-S301 WeakPolarHBondContact CD2-OG 3.26Å; L294-S301 VanDerWaalsContact CG-OG 3.31Å; L294-S301 WeakPolarHBondContact CG-OG 3.46Å; L294-S301 PolarHBondContact O-N 3.28Å; L294-S301 PolarHBondContact O-OG 2.98Å; L294-H302 HydrophobicContact CB-CB 4.09Å; L294-H302 PolarHBondContact N-O 3.49Å
295V98.7Very high97.4Very high0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-92.8126.4-178.2-176.90000111.1L259 A262 L263 H268 T269 Y271 L273 C293 I300L259-V295 HydrophobicContact CD1-CG1 4.03Å; L259-V295 HydrophobicContact CD1-CG2 4.18Å; A262-V295 HydrophobicContact CB-CB 4.45Å; A262-V295 HydrophobicContact CB-CG1 4.04Å; L263-V295 HydrophobicContact CD2-CG1 3.4Å; L263-V295 VanDerWaalsContact CD2-CG1 3.4Å; L263-V295 HydrophobicContact CG-CG1 3.78Å; H268-V295 VanDerWaalsContact CA-O 3.22Å; H268-V295 WeakPolarHBondContact CA-O 3.31Å; H268-V295 PolarHBondContact N-O 3.47Å; T269-V295 PolarHBondContact N-O 2.96Å; T269-V295 WeakPolarHBondContact O-CB 3.3Å; T269-V295 PolarHBondContact O-N 3.39Å; Y271-V295 HydrophobicContact CD2-CB 4.38Å; Y271-V295 HydrophobicContact CD2-CG2 3.89Å; L273-V295 HydrophobicContact CD1-CG2 3.49Å; L273-V295 VanDerWaalsContact CD1-CG2 3.49Å; C293-V295 PolarHBondContact O-N 3.14Å; V295-I300 HydrophobicContact CG2-CD1 4.04Å
296T98.5Very high97.4Very high9 Ų931 Ų316%0.05518%0.178CC..EExtended strand (participates in β ladder)trans-133.7179.6178.364.80000109.8L263 N266 H268 L294 S298 G299L263-T296 WeakPolarHBondContact CD2-O 3.37Å; N266-T296 WeakPolarHBondContact OD1-CA 3.41Å; N266-T296 VanDerWaalsContact OD1-CB 3.25Å; N266-T296 WeakPolarHBondContact OD1-CB 3.16Å; H268-T296 WeakPolarHBondContact ND1-CG2 3.21Å; L294-T296 HydrophobicContact CG-CG2 4.43Å; T296-S298 PolarHBondContact O-N 2.64Å; T296-S298 VanDerWaalsContact O-N 3.14Å; T296-S298 PolarHBondContact OG1-N 2.81Å; T296-S298 PolarHBondContact OG1-OG 3.41Å; T296-G299 PolarHBondContact N-O 3.18Å; T296-G299 PolarHBondContact O-N 3.43Å
297S97.6Very high97.3Very high71 Ų7135 Ų3550%0.49719%0.194SC..THydrogen-bonded Turntrans-65.3-12.9177580000115I132 L263 N266 G299I132-S297 WeakPolarHBondContact CD1-O 3.5Å; L263-S297 WeakPolarHBondContact O-CA 3.38Å; L263-S297 WeakPolarHBondContact O-CB 3.4Å; N266-S297 PolarHBondContact OD1-N 3.46Å; N266-S297 PolarHBondContact OD1-OG 3.17Å; S297-G299 VanDerWaalsContact C-N 3.31Å
298S97.6Very high97.2Very high56 Ų5636.5 Ų36.539%0.39220%0.202SC..THydrogen-bonded Turntrans-84.2-3.7170.465.50000113.6H156 T296H156-S298 PolarHBondContact CE1-O 3.47Å; H156-S298 PolarHBondContact ND1-O 2.88Å; T296-S298 PolarHBondContact O-N 2.64Å; T296-S298 VanDerWaalsContact O-N 3.14Å; T296-S298 PolarHBondContact OG1-N 2.81Å; T296-S298 PolarHBondContact OG1-OG 3.41Å
299G98.5Very high96.9Very high0 Ų037.8 Ų37.80%022%0.217CC..EExtended strand (participates in β ladder)trans100.4-128.3-170.200000110.9I132 H156 T296 S297 S301I132-G299 VanDerWaalsContact CD1-N 3.33Å; H156-G299 WeakPolarHBondContact O-CA 3.47Å; T296-G299 PolarHBondContact N-O 3.18Å; T296-G299 PolarHBondContact O-N 3.43Å; S297-G299 VanDerWaalsContact C-N 3.31Å; G299-S301 PolarHBondContact O-N 2.88Å
300I98.4Very high96.8Very high18 Ų1844.7 Ų44.79%0.09225%0.254CS..EExtended strand (participates in β ladder)trans-84.5109.7177.7-52.1-54.5000110H156 I159 L273 V275 C293 V295 L303H156-I300 HydrophobicContact CB-CB 4.49Å; H156-I300 VanDerWaalsContact CB-O 3.26Å; H156-I300 WeakPolarHBondContact CB-O 3.32Å; H156-I300 PolarHBondContact O-N 3.46Å; I159-I300 HydrophobicContact CD1-CD1 3.6Å; I159-I300 HydrophobicContact CD1-CG1 3.81Å; I159-I300 HydrophobicContact CG1-CD1 3.94Å; I159-I300 HydrophobicContact CG1-CG1 3.78Å; I159-I300 HydrophobicContact CG2-CD1 4.11Å; L273-I300 HydrophobicContact CD1-CD1 3.89Å; V275-I300 HydrophobicContact CG1-CD1 4.28Å; V275-I300 HydrophobicContact CG1-CG1 3.89Å; V275-I300 HydrophobicContact CG1-CG2 4.48Å; C293-I300 HydrophobicContact CB-CD1 3.92Å; C293-I300 HydrophobicContact CB-CG2 3.97Å; V295-I300 HydrophobicContact CG2-CD1 4.04Å; I300-L303 HydrophobicContact CG2-CD2 4.04Å
301S97.8Very high96.5Very high39 Ų3949.4 Ų49.427%0.27328%0.279SS..EExtended strand (participates in β ladder)trans-82.6-40.5177.365.10000112.3L294 G299L294-S301 WeakPolarHBondContact CB-OG 3.44Å; L294-S301 WeakPolarHBondContact CD2-OG 3.26Å; L294-S301 VanDerWaalsContact CG-OG 3.31Å; L294-S301 WeakPolarHBondContact CG-OG 3.46Å; L294-S301 PolarHBondContact O-N 3.28Å; L294-S301 PolarHBondContact O-OG 2.98Å; G299-S301 PolarHBondContact O-N 2.88Å
302H97.7Very high96.4Very high122 Ų12250 Ų5057%0.56528%0.281SS*.EExtended strand (participates in β ladder)trans-146.4149.3-175.5-59.478000110.8C293 L294C293-H302 CarbonylContact C-O 3.58Å; C293-H302 WeakPolarHBondContact CA-O 3.48Å; L294-H302 HydrophobicContact CB-CB 4.09Å; L294-H302 PolarHBondContact N-O 3.49Å
303L96.4Very high96.4Very high53 Ų5351.5 Ų51.528%0.27729%0.289SS..EExtended strand (participates in β ladder)trans-99.2144.1165.5-61.4177.2000108.5V275 I280 C293 I300 P305V275-L303 HydrophobicContact CB-CD2 4.03Å; V275-L303 HydrophobicContact CG1-CD2 4.31Å; V275-L303 HydrophobicContact CG2-CD1 4.44Å; V275-L303 HydrophobicContact CG2-CD2 3.46Å; V275-L303 VanDerWaalsContact CG2-CD2 3.46Å; I280-L303 HydrophobicContact CD1-CB 4.14Å; I280-L303 HydrophobicContact CD1-CD1 3.36Å; I280-L303 HydrophobicContact CD1-CG 4.37Å; C293-L303 HydrophobicContact CB-CD2 4.35Å; C293-L303 WeakPolarHBondContact SG-CD2 3.46Å; I300-L303 HydrophobicContact CG2-CD2 4.04Å; L303-P305 WeakPolarHBondContact O-CD 3.28Å
304I96.5Very high96.3Very high67 Ų6755.3 Ų55.334%0.34432%0.315SS..  trans-112.198.6177.5-55.7172000107.6V270 P292 L306V270-I304 HydrophobicContact CB-CD1 4.45Å; V270-I304 HydrophobicContact CG1-CD1 3.81Å; V270-I304 HydrophobicContact CG2-CD1 3.7Å; P292-I304 HydrophobicContact CB-CB 4.25Å; P292-I304 PolarHBondContact O-N 3.31Å; I304-L306 PolarHBondContact O-N 3.04Å
305P93.3Very high96.2Very high80 Ų8058 Ų5852%0.51933%0.325SS..  trans-65.3114173.2-17.231.3000109.2I280 L303I280-P305 HydrophobicContact CG2-CB 4.2Å; I280-P305 HydrophobicContact CG2-CG 4.33Å; L303-P305 WeakPolarHBondContact O-CD 3.28Å
306L94.4Very high96.1Very high25 Ų2558 Ų5813%0.13133%0.325CS..  trans-74148177.9-67178000110.4Y188 I190 V200 H281 P292 I304 L308Y188-L306 HydrophobicContact CD2-CD1 4.35Å; I190-L306 HydrophobicContact CG2-CD1 4.12Å; V200-L306 HydrophobicContact CG1-CD1 4.29Å; V200-L306 HydrophobicContact CG2-CD1 4.09Å; H281-L306 PolarHBondContact CE1-O 2.84Å; P292-L306 HydrophobicContact CG-CD1 3.73Å; P292-L306 HydrophobicContact CG-CD2 4.03Å; P292-L306 HydrophobicContact CG-CG 3.84Å; I304-L306 PolarHBondContact O-N 3.04Å; L306-L308 HydrophobicContact CB-CD2 3.84Å; L306-L308 HydrophobicContact CB-CG 4.32Å; L306-L308 PolarHBondContact O-N 3.5Å
307E94Very high96Very high149 Ų14963.1 Ų63.170%0.69634%0.344SS*.  trans-69.6117.9161-67.8-180173.300107.8N203N203-E307 PolarHBondContact ND2-O 3.03Å
308L95.4Very high95.9Very high31 Ų3167 Ų6716%0.16235%0.351CS..  trans-115.4140.3-177.3-60.3179.9000109.5I190 V200 L306 E312 L313 L316I190-L308 HydrophobicContact CD1-CD1 4.1Å; I190-L308 HydrophobicContact CD1-CD2 3.92Å; V200-L308 HydrophobicContact CB-CD2 4.49Å; V200-L308 HydrophobicContact CG1-CD2 3.62Å; V200-L308 HydrophobicContact CG2-CD2 3.99Å; L306-L308 HydrophobicContact CB-CD2 3.84Å; L306-L308 HydrophobicContact CB-CG 4.32Å; L306-L308 PolarHBondContact O-N 3.5Å; L308-E312 WeakPolarHBondContact CA-OE2 3.23Å; L308-E312 HydrophobicContact CB-CB 4.12Å; L308-E312 HydrophobicContact CD2-CB 4.38Å; L308-L313 HydrophobicContact CB-CB 4.31Å; L308-L313 HydrophobicContact CD1-CD1 4.46Å; L308-L316 HydrophobicContact CD1-CD2 3.67Å
309G92.1Very high95.8Very high32 Ų3264.5 Ų64.533%0.3333%0.334SS..  trans-69164.9167.400000111.9D311 E312 L313G309-D311 VanDerWaalsContact C-N 3.31Å; G309-D311 PolarHBondContact O-N 3.24Å; G309-E312 PolarHBondContact N-OE2 2.79Å; G309-E312 PolarHBondContact O-N 3.43Å; G309-E312 VanDerWaalsContact O-N 3.16Å; G309-L313 WeakPolarHBondContact O-CB 3.34Å; G309-L313 PolarHBondContact O-N 2.96Å
310D94Very high95.7Very high146 Ų14664.5 Ų64.578%0.78133%0.334SS*.Hα-helixtrans-58.2-40-175.6-68.6-29.5000113.2C314D310-C314 VanDerWaalsContact O-CB 3.24Å; D310-C314 WeakPolarHBondContact O-CB 3.33Å; D310-C314 PolarHBondContact O-N 2.87Å
311D93.5Very high95.5Very high98 Ų9865.5 Ų65.552%0.52435%0.345SS..Hα-helixtrans-68.6-43.1176.9178.667.2000112.2G309 L313 C314 K315G309-D311 VanDerWaalsContact C-N 3.31Å; G309-D311 PolarHBondContact O-N 3.24Å; D311-L313 VanDerWaalsContact C-N 3.34Å; D311-L313 PolarHBondContact O-N 3.23Å; D311-C314 PolarHBondContact O-N 3.01Å; D311-K315 WeakPolarHBondContact O-CB 3.45Å; D311-K315 VanDerWaalsContact O-CG 3.31Å; D311-K315 WeakPolarHBondContact O-CG 3.07Å; D311-K315 PolarHBondContact O-N 2.93Å; D311-K315 WeakPolarHBondContact OD1-CE 3.49Å; D311-K315 IonicContact OD1-NZ 3.81Å; D311-K315 WeakPolarHBondContact OD2-CE 3.31Å; D311-K315 IonicContact OD2-NZ 2.65Å; D311-K315 PolarHBondContact OD2-NZ 3.02Å
312E96.1Very high95.2Very high14 Ų1465.8 Ų65.87%0.06535%0.345CS..Hα-helixtrans-62.1-43.5176.7-63.9170.6157.800110.8V198 V200 W201 S202 L308 G309 K315 L316V198-E312 HydrophobicContact CG1-CB 4.19Å; V200-E312 VanDerWaalsContact CA-OE1 3.3Å; V200-E312 WeakPolarHBondContact CA-OE1 3.49Å; W201-E312 PolarHBondContact N-OE1 3.29Å; S202-E312 WeakPolarHBondContact CB-OE2 3.2Å; S202-E312 PolarHBondContact N-OE1 2.99Å; S202-E312 PolarHBondContact OG-OE1 3.43Å; S202-E312 PolarHBondContact OG-OE2 3.46Å; L308-E312 WeakPolarHBondContact CA-OE2 3.23Å; L308-E312 HydrophobicContact CB-CB 4.12Å; L308-E312 HydrophobicContact CD2-CB 4.38Å; G309-E312 PolarHBondContact N-OE2 2.79Å; G309-E312 PolarHBondContact O-N 3.43Å; G309-E312 VanDerWaalsContact O-N 3.16Å; E312-K315 PolarHBondContact O-N 3.32Å; E312-L316 WeakPolarHBondContact O-CB 3.49Å; E312-L316 PolarHBondContact O-N 2.91Å
313L96.5Very high95.1Very high33 Ų3360 Ų6017%0.17332%0.319CS..Hα-helixtrans-64.9-42.8176.5-178.860.3000111.9H281 L308 G309 D311 L316 R317H281-L313 HydrophobicContact CB-CD1 3.68Å; L308-L313 HydrophobicContact CB-CB 4.31Å; L308-L313 HydrophobicContact CD1-CD1 4.46Å; G309-L313 WeakPolarHBondContact O-CB 3.34Å; G309-L313 PolarHBondContact O-N 2.96Å; D311-L313 VanDerWaalsContact C-N 3.34Å; D311-L313 PolarHBondContact O-N 3.23Å; L313-L316 PolarHBondContact O-N 2.79Å; L313-R317 WeakPolarHBondContact O-CG 3.26Å; L313-R317 PolarHBondContact O-N 2.61Å
314C96.8Very high95.1Very high81 Ų8159.7 Ų59.755%0.54732%0.317SS..Hα-helixtrans-61.3-47.4176-175.80000111.4D310 D311 R317 K318D310-C314 VanDerWaalsContact O-CB 3.24Å; D310-C314 WeakPolarHBondContact O-CB 3.33Å; D310-C314 PolarHBondContact O-N 2.87Å; D311-C314 PolarHBondContact O-N 3.01Å; C314-R317 PolarHBondContact O-N 3.05Å; C314-K318 WeakPolarHBondContact O-CB 3.23Å; C314-K318 PolarHBondContact O-N 3.44Å
315K96.3Very high94.9Very high93 Ų9363 Ų6340%0.40433%0.331SS..Hα-helixtrans-60.5-45.8176.5-72.6169.2175.91670111.6V198 D311 E312 R317 K318 S319V198-K315 HydrophobicContact CG1-CB 4.22Å; V198-K315 HydrophobicContact CG2-CB 3.71Å; D311-K315 WeakPolarHBondContact O-CB 3.45Å; D311-K315 VanDerWaalsContact O-CG 3.31Å; D311-K315 WeakPolarHBondContact O-CG 3.07Å; D311-K315 PolarHBondContact O-N 2.93Å; D311-K315 WeakPolarHBondContact OD1-CE 3.49Å; D311-K315 IonicContact OD1-NZ 3.81Å; D311-K315 WeakPolarHBondContact OD2-CE 3.31Å; D311-K315 IonicContact OD2-NZ 2.65Å; D311-K315 PolarHBondContact OD2-NZ 3.02Å; E312-K315 PolarHBondContact O-N 3.32Å; K315-R317 PolarHBondContact O-N 2.99Å; K315-K318 WeakPolarHBondContact O-CB 3.38Å; K315-K318 PolarHBondContact O-N 3.06Å; K315-S319 PolarHBondContact O-N 3.12Å; K315-S319 PolarHBondContact O-OG 3.42Å; K315-S319 VanDerWaalsContact O-OG 3.08Å
316L97.2Very high94.9Very high1 Ų160.2 Ų60.21%0.00531%0.312CS..Hα-helixtrans-59.8-44.9178.8-177.765.2000112.1I190 H281 I283 L289 L291 L308 E312 L313 K318 S319 A320I190-L316 HydrophobicContact CD1-CD1 4.29Å; I190-L316 HydrophobicContact CD1-CD2 4.19Å; I190-L316 HydrophobicContact CG1-CD1 4.43Å; H281-L316 HydrophobicContact CB-CD2 4.08Å; I283-L316 HydrophobicContact CD1-CG 4.27Å; L289-L316 HydrophobicContact CD1-CD1 4.32Å; L291-L316 HydrophobicContact CD2-CD2 4.32Å; L308-L316 HydrophobicContact CD1-CD2 3.67Å; E312-L316 WeakPolarHBondContact O-CB 3.49Å; E312-L316 PolarHBondContact O-N 2.91Å; L313-L316 PolarHBondContact O-N 2.79Å; L316-K318 VanDerWaalsContact C-N 3.35Å; L316-S319 PolarHBondContact O-N 3.29Å; L316-A320 PolarHBondContact O-N 3.37Å
317R97Very high95Very high116 Ų11659.4 Ų59.444%0.43831%0.308SS..Hα-helixtrans-64.9-37.5176.3-72.6174.3178167.8-0.3112.4H281 I283 L313 C314 K315 A320 A321H281-R317 VanDerWaalsContact O-CZ 3.29Å; H281-R317 PolarHBondContact O-NE 2.87Å; H281-R317 PolarHBondContact O-NH2 3.32Å; I283-R317 HydrophobicContact CG1-CG 4.31Å; L313-R317 WeakPolarHBondContact O-CG 3.26Å; L313-R317 PolarHBondContact O-N 2.61Å; C314-R317 PolarHBondContact O-N 3.05Å; K315-R317 PolarHBondContact O-N 2.99Å; R317-A320 WeakPolarHBondContact O-CB 3.27Å; R317-A320 PolarHBondContact O-N 3.29Å; R317-A321 PolarHBondContact O-N 3.09Å
318K95.7Very high95Very high152 Ų15257.2 Ų57.266%0.66131%0.305SS*.Hα-helixtrans-62.9-41.8174.7-175.5179.7177.6-1780111.7C314 K315 L316 A320 A321 T322C314-K318 WeakPolarHBondContact O-CB 3.23Å; C314-K318 PolarHBondContact O-N 3.44Å; K315-K318 WeakPolarHBondContact O-CB 3.38Å; K315-K318 PolarHBondContact O-N 3.06Å; L316-K318 VanDerWaalsContact C-N 3.35Å; K318-A320 VanDerWaalsContact C-N 3.34Å; K318-A321 PolarHBondContact O-N 2.86Å; K318-T322 WeakPolarHBondContact O-CB 3.17Å; K318-T322 PolarHBondContact O-N 3.27Å; K318-T322 PolarHBondContact O-OG1 2.9Å
319S94.4Very high95Very high4 Ų457.2 Ų57.23%0.02831%0.312CS..Hα-helixtrans-63.2-41.4174.7-50.10000111.1S196 K315 L316 A321 T322 L323S196-S319 PolarHBondContact O-OG 3.28Å; K315-S319 PolarHBondContact O-N 3.12Å; K315-S319 PolarHBondContact O-OG 3.42Å; K315-S319 VanDerWaalsContact O-OG 3.08Å; L316-S319 PolarHBondContact O-N 3.29Å; S319-A321 PolarHBondContact O-N 3.34Å; S319-T322 PolarHBondContact O-N 2.92Å; S319-L323 WeakPolarHBondContact O-CG 3.37Å; S319-L323 PolarHBondContact O-N 3.25Å
320A96.5Very high95.1Very high0 Ų056.2 Ų56.20%030%0.299CS..Hα-helixtrans-59.1-47.9174.500000112.6I283 V287 L289 L316 R317 K318 T322 L323 N324I283-A320 HydrophobicContact CD1-CB 3.84Å; I283-A320 HydrophobicContact CG1-CB 3.91Å; I283-A320 HydrophobicContact CG2-CB 3.83Å; V287-A320 HydrophobicContact CG2-CB 4.05Å; L289-A320 HydrophobicContact CD1-CB 3.59Å; L316-A320 PolarHBondContact O-N 3.37Å; R317-A320 WeakPolarHBondContact O-CB 3.27Å; R317-A320 PolarHBondContact O-N 3.29Å; K318-A320 VanDerWaalsContact C-N 3.34Å; A320-T322 PolarHBondContact O-N 3.28Å; A320-L323 PolarHBondContact O-N 3.46Å; A320-N324 WeakPolarHBondContact O-CB 3.3Å; A320-N324 PolarHBondContact O-N 2.98Å
321A95Very high95.1Very high39 Ų3956.9 Ų56.932%0.32230%0.295SS..Hα-helixtrans-60.3-44.4177.300000111.9R317 K318 S319 L323 N324 E325R317-A321 PolarHBondContact O-N 3.09Å; K318-A321 PolarHBondContact O-N 2.86Å; S319-A321 PolarHBondContact O-N 3.34Å; A321-L323 PolarHBondContact O-N 3.15Å; A321-N324 WeakPolarHBondContact O-CB 3.36Å; A321-N324 PolarHBondContact O-N 3.18Å; A321-E325 WeakPolarHBondContact O-CG 3.34Å; A321-E325 PolarHBondContact O-N 3.3Å
322T91.4Very high95.1Very high45 Ų4559.3 Ų59.328%0.27630%0.297SS..Hα-helixtrans-62.3-44.1179.2-55.30000111.5K318 S319 A320 E325 V326K318-T322 WeakPolarHBondContact O-CB 3.17Å; K318-T322 PolarHBondContact O-N 3.27Å; K318-T322 PolarHBondContact O-OG1 2.9Å; S319-T322 PolarHBondContact O-N 2.92Å; A320-T322 PolarHBondContact O-N 3.28Å; T322-E325 PolarHBondContact O-N 3.35Å; T322-V326 WeakPolarHBondContact O-CG2 3.49Å; T322-V326 PolarHBondContact O-N 3.31Å
323L94.4Very high95.1Very high1 Ų161.6 Ų61.61%0.00531%0.309CS..Hα-helixtrans-66-39.4175.5-70.5-169.2000112.3R106 D141 I142 E192 V287 Y288 L289 S319 A320 A321 E325 V326 I327R106-L323 VanDerWaalsContact NH2-CD2 3.27Å; D141-L323 HydrophobicContact CB-CD1 3.61Å; I142-L323 HydrophobicContact CD1-CD2 3.99Å; I142-L323 HydrophobicContact CG1-CD2 3.85Å; E192-L323 HydrophobicContact CB-CD1 4.31Å; E192-L323 HydrophobicContact CB-CG 4.49Å; E192-L323 HydrophobicContact CG-CD1 4.35Å; E192-L323 HydrophobicContact CG-CD2 3.98Å; E192-L323 HydrophobicContact CG-CG 4.31Å; V287-L323 HydrophobicContact CG1-CB 4.48Å; Y288-L323 WeakPolarHBondContact O-CD1 3.44Å; L289-L323 HydrophobicContact CD2-CD1 3.28Å; L289-L323 HydrophobicContact CD2-CG 4.22Å; L289-L323 HydrophobicContact CG-CD1 3.94Å; S319-L323 WeakPolarHBondContact O-CG 3.37Å; S319-L323 PolarHBondContact O-N 3.25Å; A320-L323 PolarHBondContact O-N 3.46Å; A321-L323 PolarHBondContact O-N 3.15Å; L323-E325 VanDerWaalsContact C-N 3.35Å; L323-E325 PolarHBondContact O-N 2.93Å; L323-V326 PolarHBondContact O-N 2.82Å; L323-I327 WeakPolarHBondContact O-CB 3.24Å; L323-I327 VanDerWaalsContact O-CG1 3.28Å; L323-I327 WeakPolarHBondContact O-CG1 3.34Å; L323-I327 PolarHBondContact O-N 2.96Å
324N95.8Very high95Very high47 Ų4763.1 Ų63.125%0.25132%0.316SS..Hα-helixtrans-60.7-43.9177.1-174.359.5000111.5E285 V287 A320 A321 V326 I327 T328E285-N324 HydrophobicContact CB-CB 4Å; E285-N324 HydrophobicContact CG-CB 3.89Å; V287-N324 HydrophobicContact CG1-CB 3.69Å; A320-N324 WeakPolarHBondContact O-CB 3.3Å; A320-N324 PolarHBondContact O-N 2.98Å; A321-N324 WeakPolarHBondContact O-CB 3.36Å; A321-N324 PolarHBondContact O-N 3.18Å; N324-V326 VanDerWaalsContact C-N 3.32Å; N324-V326 PolarHBondContact O-N 3.34Å; N324-I327 PolarHBondContact O-N 3.42Å; N324-T328 VanDerWaalsContact O-CG2 3.22Å; N324-T328 WeakPolarHBondContact O-CG2 3.15Å; N324-T328 PolarHBondContact O-N 2.77Å; N324-T328 PolarHBondContact O-OG1 3.05Å
325E93.5Very high94.9Very high137 Ų13762.1 Ų62.164%0.6430%0.303SS*.Hα-helixtrans-55.5-47.3174.9-73.2175.3-169.300111.4A321 T322 L323 T328 G329A321-E325 WeakPolarHBondContact O-CG 3.34Å; A321-E325 PolarHBondContact O-N 3.3Å; T322-E325 PolarHBondContact O-N 3.35Å; L323-E325 VanDerWaalsContact C-N 3.35Å; L323-E325 PolarHBondContact O-N 2.93Å; E325-T328 PolarHBondContact O-N 2.83Å; E325-T328 PolarHBondContact O-OG1 2.77Å; E325-G329 PolarHBondContact O-N 2.71Å
326V93.8Very high94.8Very high20 Ų2060.3 Ų60.312%0.12130%0.297CS..Hα-helixtrans-66.7-41.3178.2-174.30000111.6L107 V110 I142 T322 L323 N324 T328 G329L107-V326 HydrophobicContact CD1-CG1 4.14Å; V110-V326 HydrophobicContact CB-CG1 4.44Å; V110-V326 HydrophobicContact CG1-CG1 4.46Å; V110-V326 HydrophobicContact CG2-CG1 3.97Å; I142-V326 HydrophobicContact CD1-CB 3.83Å; I142-V326 HydrophobicContact CD1-CG1 3.52Å; I142-V326 HydrophobicContact CD1-CG2 4.47Å; T322-V326 WeakPolarHBondContact O-CG2 3.49Å; T322-V326 PolarHBondContact O-N 3.31Å; L323-V326 PolarHBondContact O-N 2.82Å; N324-V326 VanDerWaalsContact C-N 3.32Å; N324-V326 PolarHBondContact O-N 3.34Å; V326-T328 VanDerWaalsContact C-N 3.35Å; V326-T328 PolarHBondContact O-N 2.96Å; V326-G329 PolarHBondContact O-N 3.16Å
327I95.4Very high94.7Very high9 Ų964 Ų645%0.04632%0.316CS..Hα-helixtrans-61.4-42.2178.9-76.6164.1000111.4I142 Y145 V287 L323 N324 G329 I330I142-I327 HydrophobicContact CG1-CG1 4.49Å; I142-I327 HydrophobicContact CG2-CG1 4.31Å; Y145-I327 HydrophobicContact CD1-CD1 4.19Å; Y145-I327 HydrophobicContact CD1-CG1 4.08Å; Y145-I327 HydrophobicContact CD1-CG2 4.02Å; Y145-I327 HydrophobicContact CE1-CB 4.43Å; Y145-I327 HydrophobicContact CE1-CG1 4.28Å; Y145-I327 HydrophobicContact CE1-CG2 3.36Å; Y145-I327 HydrophobicContact CE2-CG2 4.43Å; Y145-I327 HydrophobicContact CG-CD1 4.19Å; V287-I327 HydrophobicContact CB-CD1 4.36Å; V287-I327 HydrophobicContact CG1-CD1 3.98Å; L323-I327 WeakPolarHBondContact O-CB 3.24Å; L323-I327 VanDerWaalsContact O-CG1 3.28Å; L323-I327 WeakPolarHBondContact O-CG1 3.34Å; L323-I327 PolarHBondContact O-N 2.96Å; N324-I327 PolarHBondContact O-N 3.42Å; I327-G329 PolarHBondContact O-N 3.26Å; I327-I330 HydrophobicContact CG1-CD1 4.43Å; I327-I330 WeakPolarHBondContact O-CB 3.45Å; I327-I330 WeakPolarHBondContact O-CG1 3.47Å; I327-I330 PolarHBondContact O-N 3.4Å
328T94.9Very high94.5Very high103 Ų10360.5 Ų60.563%0.63231%0.308SS*.Hα-helixtrans-65.8-24.7178.461.90000112.8N324 E325 V326N324-T328 VanDerWaalsContact O-CG2 3.22Å; N324-T328 WeakPolarHBondContact O-CG2 3.15Å; N324-T328 PolarHBondContact O-N 2.77Å; N324-T328 PolarHBondContact O-OG1 3.05Å; E325-T328 PolarHBondContact O-N 2.83Å; E325-T328 PolarHBondContact O-OG1 2.77Å; V326-T328 VanDerWaalsContact C-N 3.35Å; V326-T328 PolarHBondContact O-N 2.96Å
329G94.2Very high94.4Very high30 Ų3054 Ų5431%0.30928%0.282SS..THydrogen-bonded Turntrans-81.6-6.4175.800000115.4E325 V326 I327 K331E325-G329 PolarHBondContact O-N 2.71Å; V326-G329 PolarHBondContact O-N 3.16Å; I327-G329 PolarHBondContact O-N 3.26Å; G329-K331 PolarHBondContact O-N 2.98Å
330I95.1Very high94.4Very high11 Ų1157.8 Ų57.86%0.05630%0.302CS..  trans-69.2130.2-177.3-63.9174.7000110.8V110 V114 I142 V146 I327 W332V110-I330 HydrophobicContact CG1-CD1 3.99Å; V110-I330 HydrophobicContact CG1-CG1 3.89Å; V114-I330 HydrophobicContact CG1-CG2 4.09Å; V114-I330 HydrophobicContact CG2-CD1 4.43Å; V114-I330 HydrophobicContact CG2-CG2 3.87Å; I142-I330 HydrophobicContact CG2-CD1 3.79Å; V146-I330 HydrophobicContact CG2-CD1 3.93Å; I327-I330 HydrophobicContact CG1-CD1 4.43Å; I327-I330 WeakPolarHBondContact O-CB 3.45Å; I327-I330 WeakPolarHBondContact O-CG1 3.47Å; I327-I330 PolarHBondContact O-N 3.4Å; I330-W332 HydrophobicContact CG2-CD2 4.23Å; I330-W332 HydrophobicContact CG2-CZ2 4.15Å
331K93.9Very high94.3Very high160 Ų16062.7 Ų62.770%0.69633%0.327SS*.  trans-91111.7171.1-57-178.1-177.7178.90110.3Q111 K118 G329Q111-K331 PolarHBondContact NE2-O 2.96Å; K118-K331 PolarHBondContact NZ-O 2.67Å; G329-K331 PolarHBondContact O-N 2.98Å
332W93.8Very high94.2Very high150 Ų15064.8 Ų64.857%0.56833%0.327SS*.  trans-80.50178.7-64.194.7000112.6K118 Y145 V146 K149 L150 I330K118-W332 WeakPolarHBondContact CE-OXT 3.41Å; K118-W332 PolarHBondContact NZ-OXT 3.16Å; Y145-W332 HydrophobicContact CD1-CZ2 4.49Å; Y145-W332 HydrophobicContact CE1-CH2 4.23Å; Y145-W332 AromaticContact CE1-CZ2 3.77Å; Y145-W332 HydrophobicContact CE1-CZ2 3.77Å; V146-W332 HydrophobicContact CB-CH2 4.38Å; V146-W332 HydrophobicContact CG1-CH2 4.4Å; V146-W332 HydrophobicContact CG1-CZ3 4.3Å; V146-W332 HydrophobicContact CG2-CH2 4.06Å; K149-W332 HydrophobicContact CB-CH2 3.58Å; K149-W332 HydrophobicContact CB-CZ2 4.44Å; K149-W332 HydrophobicContact CB-CZ3 3.88Å; K149-W332 HydrophobicContact CD-CH2 4.29Å; K149-W332 HydrophobicContact CD-CZ2 4.34Å; K149-W332 HydrophobicContact CG-CH2 3.91Å; K149-W332 HydrophobicContact CG-CZ2 4.37Å; L150-W332 HydrophobicContact CD2-CE3 4.36Å; L150-W332 HydrophobicContact CD2-CZ3 4.12Å; L150-W332 HydrophobicContact CG-CZ3 4.18Å; I330-W332 HydrophobicContact CG2-CD2 4.23Å; I330-W332 HydrophobicContact CG2-CZ2 4.15Å

Retrieved 332 of 332 residues in 266.8 ms (Link to these results)

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