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Phospholysine phosphohistidine inorganic pyrophosphate phosphatase

Phosphatase that hydrolyzes imidodiphosphate, 3-phosphohistidine and 6-phospholysine. Has broad substrate specificity and can also hydrolyze inorganic diphosphate, but with lower efficiency.

AlphaFold DB , UniProt , Accession A0A096NU58, Species PAPAN (Papio anubis, Olive baboon), Gene LHPP, Length 270 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
1M75.6Confident92.2Very high171 Ų17160.9 Ų60.984%0.84237%0.368SS*.  01500-77.5-173.6-94.900108.6Y253M1-Y253 HydrophobicContact CE-CD2 4.37Å
2A85.8Confident92.7Very high41 Ų4168.9 Ų68.934%0.33939%0.387SS..  trans-60.4158.9173.300000111.5R7A2-R7 HydrophobicContact CB-CG 4.15Å; A2-R7 PolarHBondContact O-NE 3.49Å; A2-R7 PolarHBondContact O-NH2 2.8Å
3P94.3Very high93.1Very high93 Ų9363.6 Ų63.660%0.60436%0.357SS*.  trans-56.1148174.9-23.634.6000112.2G5 E6 R7P3-G5 PolarHBondContact O-N 2.95Å; P3-E6 PolarHBondContact O-N 3.4Å; P3-E6 VanDerWaalsContact O-N 3.09Å; P3-R7 PolarHBondContact O-N 3.02Å; P3-R7 VanDerWaalsContact O-N 3.16Å
4W95.8Very high93.5Very high53 Ų5359.1 Ų59.120%0.20133%0.331CS..Hα-helixtrans-57.8-36.5179.7-79.6119.7000113.3E6 R7 L8 L231 V254 L263W4-E6 VanDerWaalsContact C-N 3.28Å; W4-E6 PolarHBondContact O-N 3.31Å; W4-R7 VanDerWaalsContact CD2-CZ 3.41Å; W4-R7 HydrophobicContact CE3-CB 4.45Å; W4-R7 VanDerWaalsContact CH2-NH1 3.3Å; W4-R7 VanDerWaalsContact CZ3-NH1 3.32Å; W4-R7 PolarHBondContact O-N 3.34Å; W4-L8 HydrophobicContact CE3-CD1 4.02Å; W4-L8 HydrophobicContact CE3-CG 4.17Å; W4-L8 PolarHBondContact O-N 3.01Å; W4-L231 HydrophobicContact CH2-CD2 4.19Å; W4-L231 HydrophobicContact CZ3-CD2 3.78Å; W4-V254 HydrophobicContact CH2-CG1 3.89Å; W4-V254 HydrophobicContact CZ2-CG1 4.17Å; W4-L263 HydrophobicContact CB-CD2 4.23Å; W4-L263 HydrophobicContact CD2-CD1 3.86Å; W4-L263 HydrophobicContact CD2-CD2 4.02Å; W4-L263 HydrophobicContact CD2-CG 4.47Å; W4-L263 HydrophobicContact CE3-CD1 4.17Å; W4-L263 HydrophobicContact CG-CD1 4.46Å; W4-L263 HydrophobicContact CG-CD2 3.74Å; W4-L263 HydrophobicContact CH2-CD1 3.92Å; W4-L263 HydrophobicContact CZ2-CD1 3.6Å; W4-L263 HydrophobicContact CZ3-CD1 4.2Å
5G92.6Very high93.9Very high29 Ų2955.1 Ų55.130%0.29931%0.309SS..Hα-helixtrans-59.3-36176.100000113.7P3 A9P3-G5 PolarHBondContact O-N 2.95Å; G5-A9 WeakPolarHBondContact O-CB 3.42Å; G5-A9 PolarHBondContact O-N 2.85Å
6E93.6Very high94.2Very high135 Ų13551.7 Ų51.763%0.63129%0.29SS*.Hα-helixtrans-74.7-43.4175.7-172.8-178.9168.100110.9P3 W4 L8 A9P3-E6 PolarHBondContact O-N 3.4Å; P3-E6 VanDerWaalsContact O-N 3.09Å; W4-E6 VanDerWaalsContact C-N 3.28Å; W4-E6 PolarHBondContact O-N 3.31Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 3.39Å; E6-A9 PolarHBondContact O-N 3.07Å
7R94.6Very high94.4Very high39 Ų3949.2 Ų49.215%0.14728%0.276CS..Hα-helixtrans-62.5-38-179.4-69.5-171.9-87.3159.91.2113A2 P3 W4 R229 D251A2-R7 HydrophobicContact CB-CG 4.15Å; A2-R7 PolarHBondContact O-NE 3.49Å; A2-R7 PolarHBondContact O-NH2 2.8Å; P3-R7 PolarHBondContact O-N 3.02Å; P3-R7 VanDerWaalsContact O-N 3.16Å; W4-R7 VanDerWaalsContact CD2-CZ 3.41Å; W4-R7 HydrophobicContact CE3-CB 4.45Å; W4-R7 VanDerWaalsContact CH2-NH1 3.3Å; W4-R7 VanDerWaalsContact CZ3-NH1 3.32Å; W4-R7 PolarHBondContact O-N 3.34Å; R7-R229 WeakPolarHBondContact O-CD 3.07Å; R7-R229 PolarHBondContact O-NH1 3.43Å; R7-D251 WeakPolarHBondContact CD-O 3.22Å; R7-D251 PolarHBondContact NH1-O 3.23Å
8L95.9Very high94.6Very high2 Ų246.4 Ų46.41%0.0126%0.26CS..THydrogen-bonded Turntrans-100.22.9-176.1-58178.8000113.5W4 E6 G10 V11 L231 L263 L264 H267W4-L8 HydrophobicContact CE3-CD1 4.02Å; W4-L8 HydrophobicContact CE3-CG 4.17Å; W4-L8 PolarHBondContact O-N 3.01Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 3.39Å; L8-G10 PolarHBondContact O-N 3.35Å; L8-V11 WeakPolarHBondContact O-CG2 3.36Å; L8-V11 PolarHBondContact O-N 3Å; L8-L231 HydrophobicContact CD2-CD1 4.39Å; L8-L263 HydrophobicContact CD1-CB 3.87Å; L8-L264 HydrophobicContact CD1-CD2 4.2Å; L8-L264 HydrophobicContact CD1-CG 4.43Å; L8-L264 HydrophobicContact CD2-CD2 4.13Å; L8-H267 HydrophobicContact CB-CB 4.28Å
9A93.7Very high94.6Very high51 Ų5145.5 Ų45.542%0.42126%0.257SS..THydrogen-bonded Turntrans-55.8129.2-179.300000112.3G5 E6 V11 R229G5-A9 WeakPolarHBondContact O-CB 3.42Å; G5-A9 PolarHBondContact O-N 2.85Å; E6-A9 PolarHBondContact O-N 3.07Å; A9-V11 VanDerWaalsContact C-N 3.25Å; A9-V11 PolarHBondContact O-N 3.14Å; A9-R229 PolarHBondContact O-NH1 2.98Å; A9-R229 PolarHBondContact O-NH2 3.36Å; A9-R229 VanDerWaalsContact O-NH2 3.08Å
10G94.5Very high94.6Very high50 Ų5043.4 Ų43.452%0.51525%0.246SC..THydrogen-bonded Turntrans7112.4175.700000115.5L8 R12L8-G10 PolarHBondContact O-N 3.35Å; G10-R12 PolarHBondContact O-N 3.33Å
11V97.9Very high94.8Very high6 Ų641.3 Ų41.34%0.03623%0.234CC..  trans-64.3131.1167.2172.80000109.3L8 A9 L48 Q208 V210 L264 T268L8-V11 WeakPolarHBondContact O-CG2 3.36Å; L8-V11 PolarHBondContact O-N 3Å; A9-V11 VanDerWaalsContact C-N 3.25Å; A9-V11 PolarHBondContact O-N 3.14Å; V11-L48 HydrophobicContact CG1-CD2 4.37Å; V11-L48 WeakPolarHBondContact O-CD2 3.22Å; V11-Q208 CarbonylContact C-O 3.6Å; V11-Q208 WeakPolarHBondContact CA-O 3.36Å; V11-V210 HydrophobicContact CG1-CB 4.36Å; V11-V210 HydrophobicContact CG1-CG1 3.82Å; V11-V210 HydrophobicContact CG2-CB 4.36Å; V11-L264 HydrophobicContact CB-CD2 4.42Å; V11-L264 HydrophobicContact CG1-CD2 4.01Å; V11-T268 HydrophobicContact CB-CG2 3.8Å; V11-T268 HydrophobicContact CG1-CG2 4.39Å
12R98Very high95.9Very high157 Ų15733.1 Ų33.159%0.59219%0.194SC*.  trans-125.8-18.3177.4-62.5-173.1175.2-154.5-2.5113G10 K49 Q208G10-R12 PolarHBondContact O-N 3.33Å; R12-K49 PolarHBondContact O-N 3.17Å; R12-Q208 HydrophobicContact CB-CB 4.3Å; R12-Q208 HydrophobicContact CG-CB 4.46Å; R12-Q208 PolarHBondContact N-O 3.33Å
13G98.3Very high96.4Very high0 Ų031.2 Ų31.20%018%0.178CC..EExtended strand (participates in β ladder)trans-132.2145.3-179.800000112.5K49 Q208 A209 V210G13-K49 CarbonylContact C-O 3.57Å; G13-K49 VanDerWaalsContact CA-O 3.31Å; G13-K49 WeakPolarHBondContact CA-O 3.23Å; G13-Q208 PolarHBondContact N-O 3.23Å; G13-Q208 VanDerWaalsContact N-O 3.15Å; G13-A209 VanDerWaalsContact O-CA 3.27Å; G13-A209 WeakPolarHBondContact O-CA 3.3Å; G13-V210 PolarHBondContact O-N 3.49Å
14V98.8Very high96.3Very high0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-124.4120.4177.6-172.40000108.2L16 L43 L48 K49 V50 R51 V210 I212 L264V14-L16 HydrophobicContact CG1-CD2 3.49Å; V14-L16 VanDerWaalsContact CG1-CD2 3.49Å; V14-L16 HydrophobicContact CG1-CG 3.94Å; V14-L43 HydrophobicContact CG1-CD1 4.47Å; V14-L43 HydrophobicContact CG2-CD2 4.26Å; V14-L48 HydrophobicContact CG2-CB 4.36Å; V14-L48 HydrophobicContact CG2-CD1 4.07Å; V14-K49 PolarHBondContact N-O 3.17Å; V14-V50 WeakPolarHBondContact O-CA 3.41Å; V14-R51 PolarHBondContact O-N 2.67Å; V14-V210 WeakPolarHBondContact CA-O 3.43Å; V14-V210 HydrophobicContact CB-CG1 4.46Å; V14-V210 HydrophobicContact CG1-CG1 4.25Å; V14-V210 HydrophobicContact CG2-CG1 4.1Å; V14-I212 HydrophobicContact CG1-CD1 3.84Å; V14-I212 HydrophobicContact CG1-CG1 4.25Å; V14-L264 HydrophobicContact CG2-CD1 3.98Å
15L98.8Very high95.9Very high0 Ų026.3 Ų26.30%015%0.151CC..EExtended strand (participates in β ladder)trans-94.7126.3164.2-54-166.3000107.9R51 C53 F195 A198 L199 I202 V210 M211 I212 M228L15-R51 CarbonylContact C-O 3.56Å; L15-R51 WeakPolarHBondContact CA-O 3.33Å; L15-R51 HydrophobicContact CD2-CB 3.54Å; L15-R51 HydrophobicContact CD2-CG 4.18Å; L15-C53 HydrophobicContact CB-CB 4.25Å; L15-F195 HydrophobicContact CD1-CD1 4.09Å; L15-A198 HydrophobicContact CD1-CB 3.83Å; L15-A198 HydrophobicContact CD2-CB 4.12Å; L15-L199 HydrophobicContact CD1-CD2 4.3Å; L15-L199 HydrophobicContact CD1-CG 4.33Å; L15-L199 HydrophobicContact CD2-CD2 4.48Å; L15-L199 HydrophobicContact CG-CD2 4.47Å; L15-I202 HydrophobicContact CD2-CD1 3.81Å; L15-V210 PolarHBondContact N-O 2.88Å; L15-M211 HydrophobicContact CB-SD 3.63Å; L15-M211 CarbonylContact O-C 3.51Å; L15-M211 WeakPolarHBondContact O-CA 3.48Å; L15-M211 VanDerWaalsContact O-SD 3.42Å; L15-I212 PolarHBondContact O-N 3.01Å; L15-M228 HydrophobicContact CB-CE 4.16Å; L15-M228 HydrophobicContact CD1-CE 3.49Å; L15-M228 VanDerWaalsContact CD1-CE 3.49Å; L15-M228 HydrophobicContact CD1-SD 3.92Å; L15-M228 HydrophobicContact CG-CE 3.61Å
16L98.8Very high95.5Very high0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-110.9124.3179.9-63.2178.4000109.6V14 L22 V40 L43 V50 R51 F52 C53 I212 L257V14-L16 HydrophobicContact CG1-CD2 3.49Å; V14-L16 VanDerWaalsContact CG1-CD2 3.49Å; V14-L16 HydrophobicContact CG1-CG 3.94Å; L16-L22 HydrophobicContact CB-CD1 4.47Å; L16-V40 HydrophobicContact CD1-CG2 4.38Å; L16-L43 HydrophobicContact CD1-CD1 3.96Å; L16-L43 HydrophobicContact CD2-CD1 4.39Å; L16-V50 HydrophobicContact CD1-CG1 3.83Å; L16-V50 HydrophobicContact CG-CG1 4.37Å; L16-R51 PolarHBondContact N-O 3.47Å; L16-F52 HydrophobicContact CB-CD1 4.03Å; L16-F52 HydrophobicContact CB-CE1 4.46Å; L16-F52 HydrophobicContact CD1-CD1 4.24Å; L16-F52 HydrophobicContact CD1-CE1 3.82Å; L16-F52 CarbonylContact O-C 3.55Å; L16-F52 WeakPolarHBondContact O-CA 3.23Å; L16-C53 PolarHBondContact O-N 3.34Å; L16-I212 HydrophobicContact CD2-CB 3.92Å; L16-I212 HydrophobicContact CD2-CD1 3.84Å; L16-I212 HydrophobicContact CD2-CG1 4.19Å; L16-L257 HydrophobicContact CD2-CD1 3.66Å
17D98.4Very high94.7Very high9 Ų924.3 Ų24.35%0.04816%0.157CC..  trans-63.4163156.7-167.727.1000110.1V21 L22 K189 M211 I212D17-V21 HydrophobicContact CB-CG2 3.85Å; D17-L22 WeakPolarHBondContact O-CD1 3.39Å; D17-K189 IonicContact OD1-NZ 2.88Å; D17-K189 PolarHBondContact OD1-NZ 3.45Å; D17-K189 IonicContact OD2-NZ 3.67Å; D17-M211 HydrophobicContact CB-CE 3.7Å; D17-I212 PolarHBondContact N-O 3.23Å
18I97.8Very high94.1Very high0 Ų026.9 Ų26.90%020%0.195CC..  trans-105.9-64.3-176.7-62.5-179.3000110.9V21 L22 Y23 F52 T54 L64 L68 V80I18-V21 PolarHBondContact O-N 2.87Å; I18-L22 HydrophobicContact CG1-CD2 4.31Å; I18-L22 HydrophobicContact CG2-CD2 4.24Å; I18-L22 WeakPolarHBondContact O-CB 3.3Å; I18-L22 PolarHBondContact O-N 3.38Å; I18-Y23 HydrophobicContact CG2-CD1 3.83Å; I18-Y23 HydrophobicContact CG2-CE1 3.69Å; I18-Y23 PolarHBondContact O-N 3.1Å; I18-F52 HydrophobicContact CD1-CB 4Å; I18-F52 HydrophobicContact CG1-CB 4.11Å; I18-F52 HydrophobicContact CG1-CD1 4.44Å; I18-T54 HydrophobicContact CD1-CG2 3.78Å; I18-L64 HydrophobicContact CD1-CD2 3.72Å; I18-L64 HydrophobicContact CG2-CD1 4.41Å; I18-L68 HydrophobicContact CD1-CD1 4.27Å; I18-L68 HydrophobicContact CG2-CD1 3.79Å; I18-L68 HydrophobicContact CG2-CD2 4.16Å; I18-V80 HydrophobicContact CD1-CG1 4.41Å
19S94.9Very high93.5Very high29 Ų2927.8 Ų27.820%0.20321%0.205CC..BIsolated β-bridgetrans-70.3132.7-177.1-59.80000109.7V21 Y23S19-V21 PolarHBondContact O-N 2.79Å; S19-Y23 CarbonylContact C-O 3.5Å; S19-Y23 WeakPolarHBondContact CA-O 3.5Å
20G95.1Very high93.4Very high2 Ų226 Ų262%0.02119%0.191CC..THydrogen-bonded Turntrans76.8-4.9-17700000115.4Y23 I33 T235 G236G20-Y23 PolarHBondContact N-O 3.22Å; G20-I33 VanDerWaalsContact O-CD1 3.25Å; G20-I33 WeakPolarHBondContact O-CD1 3.22Å; G20-T235 CarbonylContact O-C 3.5Å; G20-T235 VanDerWaalsContact O-CB 3.26Å; G20-T235 WeakPolarHBondContact O-CB 3.26Å; G20-T235 PolarHBondContact O-OG1 3.07Å; G20-G236 PolarHBondContact O-N 3.49Å
21V98.3Very high93.4Very high0 Ų027.8 Ų27.80%019%0.192CC..THydrogen-bonded Turntrans-117-50.6174.9-1770000111.6D17 I18 S19 S36 I212 D214 V233 L257D17-V21 HydrophobicContact CB-CG2 3.85Å; I18-V21 PolarHBondContact O-N 2.87Å; S19-V21 PolarHBondContact O-N 2.79Å; V21-S36 PolarHBondContact O-OG 2.87Å; V21-I212 HydrophobicContact CG1-CG2 4.19Å; V21-D214 HydrophobicContact CG2-CB 4.49Å; V21-V233 HydrophobicContact CG2-CG2 3.94Å; V21-L257 HydrophobicContact CG1-CB 4.07Å; V21-L257 HydrophobicContact CG1-CD1 4.12Å; V21-L257 HydrophobicContact CG1-CD2 4.28Å; V21-L257 HydrophobicContact CG1-CG 4.38Å
22L98.1Very high93.3Very high0 Ų028.9 Ų28.90%020%0.202CC..THydrogen-bonded Turntrans-90-47.5177.2-81.453.1000110L16 D17 I18 I33 V40 F52 F73 L257L16-L22 HydrophobicContact CB-CD1 4.47Å; D17-L22 WeakPolarHBondContact O-CD1 3.39Å; I18-L22 HydrophobicContact CG1-CD2 4.31Å; I18-L22 HydrophobicContact CG2-CD2 4.24Å; I18-L22 WeakPolarHBondContact O-CB 3.3Å; I18-L22 PolarHBondContact O-N 3.38Å; L22-I33 PolarHBondContact O-N 3.14Å; L22-V40 HydrophobicContact CG-CG2 4.3Å; L22-F52 HydrophobicContact CD2-CD1 3.87Å; L22-F52 HydrophobicContact CD2-CE1 3.76Å; L22-F73 HydrophobicContact CB-CE1 3.93Å; L22-F73 HydrophobicContact CB-CE2 4.37Å; L22-F73 HydrophobicContact CB-CZ 3.79Å; L22-F73 HydrophobicContact CD2-CD1 4.41Å; L22-F73 HydrophobicContact CD2-CE1 4.39Å; L22-F73 HydrophobicContact CG-CD1 4.34Å; L22-F73 HydrophobicContact CG-CE1 3.86Å; L22-F73 HydrophobicContact CG-CZ 4.25Å; L22-F73 VanDerWaalsContact O-CZ 3.26Å; L22-F73 WeakPolarHBondContact O-CZ 3.1Å; L22-L257 HydrophobicContact CD1-CD2 3.95Å
23Y96.4Very high93.3Very high0 Ų022.2 Ų22.20%018%0.178CC..EExtended strand (participates in β ladder)trans-152.7157.9-172.993.7-67.1000110.4I18 S19 G20 T31 L64 L68 L71I18-Y23 HydrophobicContact CG2-CD1 3.83Å; I18-Y23 HydrophobicContact CG2-CE1 3.69Å; I18-Y23 PolarHBondContact O-N 3.1Å; S19-Y23 CarbonylContact C-O 3.5Å; S19-Y23 WeakPolarHBondContact CA-O 3.5Å; G20-Y23 PolarHBondContact N-O 3.22Å; Y23-T31 CarbonylContact C-O 3.38Å; Y23-T31 VanDerWaalsContact CA-O 3.25Å; Y23-T31 WeakPolarHBondContact CA-O 3.27Å; Y23-T31 WeakPolarHBondContact CB-O 3.23Å; Y23-L64 HydrophobicContact CE1-CD1 4.33Å; Y23-L68 HydrophobicContact CD1-CD2 3.58Å; Y23-L68 HydrophobicContact CE1-CD2 4.04Å; Y23-L68 HydrophobicContact CG-CD2 3.97Å; Y23-L71 HydrophobicContact CD2-CD1 3.92Å; Y23-L71 HydrophobicContact CG-CD1 4.16Å
24D92.4Very high93.3Very high36 Ų3626.1 Ų26.119%0.19321%0.21CC..EExtended strand (participates in β ladder)trans-101.9132.1168.2-69.8-42.3000109.3G30 T31D24-G30 CarbonylContact O-C 3.52Å; D24-G30 WeakPolarHBondContact O-CA 3.47Å; D24-T31 PolarHBondContact N-O 3.38Å; D24-T31 PolarHBondContact O-N 3.14Å
25S88Confident93.2Very high8 Ų827.8 Ų27.86%0.05623%0.228CC..BIsolated β-bridgetrans-71.5155.4177.252.50000111.9E161 T162S25-E161 VanDerWaalsContact O-CA 3.27Å; S25-E161 WeakPolarHBondContact O-CA 3.38Å; S25-T162 PolarHBondContact O-N 2.86Å; S25-T162 VanDerWaalsContact O-N 3.08Å
26G83.9Confident93.2Very high19 Ų1927.8 Ų27.820%0.19623%0.228CC..  trans168.6178.4-179.800000111.9G28 G29 G30G26-G28 PolarHBondContact O-N 2.85Å; G26-G29 PolarHBondContact O-N 3.47Å; G26-G30 PolarHBondContact O-N 3.38Å
27A76.7Confident93.2Very high103 Ų10330 Ų3085%0.85124%0.241SC*.THydrogen-bonded Turntrans-53.5139177.800000111.3
28G81.1Confident93.2Very high93 Ų9335.2 Ų35.296%0.95927%0.265SS*.THydrogen-bonded Turntrans78.710.917900000115.7G26G26-G28 PolarHBondContact O-N 2.85Å
29G84Confident93.3Very high20 Ų2035.2 Ų35.221%0.20627%0.265CS..THydrogen-bonded Turntrans96.219.7176.900000114.5G26 Q67G26-G29 PolarHBondContact O-N 3.47Å; G29-Q67 WeakPolarHBondContact O-CG 3.16Å; G29-Q67 PolarHBondContact O-NE2 3.07Å
30G90.7Very high93.5Very high13 Ų1333.8 Ų33.813%0.13426%0.255CS..  trans71.2-174.7172.600000114.6D24 G26D24-G30 CarbonylContact O-C 3.52Å; D24-G30 WeakPolarHBondContact O-CA 3.47Å; G26-G30 PolarHBondContact O-N 3.38Å
31T94.1Very high93.6Very high88 Ų8836.3 Ų36.354%0.5428%0.275SS..EExtended strand (participates in β ladder)trans-131.5132.2-177.3-58.80000110.2Y23 D24Y23-T31 CarbonylContact C-O 3.38Å; Y23-T31 VanDerWaalsContact CA-O 3.25Å; Y23-T31 WeakPolarHBondContact CA-O 3.27Å; Y23-T31 WeakPolarHBondContact CB-O 3.23Å; D24-T31 PolarHBondContact N-O 3.38Å; D24-T31 PolarHBondContact O-N 3.14Å
32A97.2Very high93.6Very high30 Ų3039.9 Ų39.925%0.24829%0.289CS..EExtended strand (participates in β ladder)trans-63.5136.1173.700000110.6V37 L71 F73A32-V37 HydrophobicContact CB-CG2 4.06Å; A32-L71 HydrophobicContact CB-CB 4.39Å; A32-F73 HydrophobicContact CB-CE2 4Å; A32-F73 HydrophobicContact CB-CZ 4.19Å
33I97.4Very high93.6Very high17 Ų1739.9 Ų39.99%0.08729%0.289CS..PPolyproline II helixtrans-69.6135.7172.2-69.7168.3000108.1G20 L22 G35 S36 T235G20-I33 VanDerWaalsContact O-CD1 3.25Å; G20-I33 WeakPolarHBondContact O-CD1 3.22Å; L22-I33 PolarHBondContact O-N 3.14Å; I33-G35 PolarHBondContact O-N 3.43Å; I33-S36 WeakPolarHBondContact O-CB 3.33Å; I33-S36 PolarHBondContact O-N 3.42Å; I33-T235 HydrophobicContact CG2-CG2 3.74Å
34A97.9Very high93.6Very high82 Ų8242.4 Ų42.468%0.67830%0.3SS*.THydrogen-bonded Turntrans-56.7129.3-17400000111S36A34-S36 VanDerWaalsContact C-N 3.25Å; A34-S36 PolarHBondContact O-N 3.05Å
35G98.3Very high93.8Very high35 Ų3544.1 Ų44.136%0.36133%0.326SS..THydrogen-bonded Turntrans80.7-15.5-177.400000115.6I33 V37 E38 A39I33-G35 PolarHBondContact O-N 3.43Å; G35-V37 PolarHBondContact O-N 3.12Å; G35-E38 PolarHBondContact O-N 3.34Å; G35-A39 VanDerWaalsContact O-CB 3.3Å; G35-A39 WeakPolarHBondContact O-CB 3.41Å; G35-A39 PolarHBondContact O-N 3.38Å
36S98.7Very high94.2Very high0 Ų045 Ų450%033%0.333CS..Hα-helixtrans-66.2-33.9-175.5-68.60000113.5V21 I33 A34 A39 V40V21-S36 PolarHBondContact O-OG 2.87Å; I33-S36 WeakPolarHBondContact O-CB 3.33Å; I33-S36 PolarHBondContact O-N 3.42Å; A34-S36 VanDerWaalsContact C-N 3.25Å; A34-S36 PolarHBondContact O-N 3.05Å; S36-A39 PolarHBondContact O-N 2.86Å; S36-V40 WeakPolarHBondContact O-CG2 3.28Å; S36-V40 PolarHBondContact O-N 3.01Å
37V98.7Very high94.8Very high45 Ų4555 Ų5527%0.27336%0.364SS..Hα-helixtrans-61.5-50.6176.8175.30000111A32 G35 A39 V40 A41 L71 G72 F73A32-V37 HydrophobicContact CB-CG2 4.06Å; G35-V37 PolarHBondContact O-N 3.12Å; V37-A39 VanDerWaalsContact C-N 3.34Å; V37-A39 PolarHBondContact O-N 3.35Å; V37-V40 PolarHBondContact O-N 3.08Å; V37-A41 PolarHBondContact O-N 3.45Å; V37-A41 VanDerWaalsContact O-N 3.17Å; V37-L71 WeakPolarHBondContact CG2-O 3.34Å; V37-G72 VanDerWaalsContact CG1-O 3.3Å; V37-G72 WeakPolarHBondContact CG1-O 3.35Å; V37-F73 HydrophobicContact CB-CE1 4.27Å; V37-F73 HydrophobicContact CB-CZ 4.47Å; V37-F73 HydrophobicContact CG2-CD1 4.15Å; V37-F73 HydrophobicContact CG2-CD2 4.17Å; V37-F73 HydrophobicContact CG2-CE1 3.77Å; V37-F73 HydrophobicContact CG2-CE2 3.77Å; V37-F73 HydrophobicContact CG2-CG 4.33Å; V37-F73 HydrophobicContact CG2-CZ 3.53Å
38E98.6Very high95.8Very high119 Ų11950.9 Ų50.956%0.55633%0.328SS*.Hα-helixtrans-64.8-39.7176.7-169.7-160.2164.400111.2G35 V40 A41 R42G35-E38 PolarHBondContact O-N 3.34Å; E38-V40 PolarHBondContact O-N 2.74Å; E38-A41 WeakPolarHBondContact O-CB 3.47Å; E38-A41 PolarHBondContact O-N 3.05Å; E38-A41 VanDerWaalsContact O-N 3.16Å; E38-R42 HydrophobicContact CG-CG 4.38Å; E38-R42 WeakPolarHBondContact O-CG 3.44Å; E38-R42 PolarHBondContact O-N 3.11Å; E38-R42 IonicContact OE1-NE 2.68Å
39A98.7Very high96.6Very high0 Ų052.1 Ų52.10%031%0.307CS..Hα-helixtrans-59.4-44178.400000112.1G35 S36 V37 R42 L43 L257 A258 V261G35-A39 VanDerWaalsContact O-CB 3.3Å; G35-A39 WeakPolarHBondContact O-CB 3.41Å; G35-A39 PolarHBondContact O-N 3.38Å; S36-A39 PolarHBondContact O-N 2.86Å; V37-A39 VanDerWaalsContact C-N 3.34Å; V37-A39 PolarHBondContact O-N 3.35Å; A39-R42 PolarHBondContact O-N 2.91Å; A39-L43 PolarHBondContact O-N 2.89Å; A39-L257 HydrophobicContact CB-CD2 4.08Å; A39-L257 HydrophobicContact CB-CG 3.85Å; A39-A258 HydrophobicContact CB-CB 4.41Å; A39-V261 HydrophobicContact CB-CB 4.16Å; A39-V261 HydrophobicContact CB-CG2 3.84Å
40V98.7Very high97.3Very high0 Ų052 Ų520%030%0.302CS..Hα-helixtrans-62.8-43.4174.1171.30000111.1L16 L22 S36 V37 E38 R42 L43 K44 F52 F73 L257L16-V40 HydrophobicContact CD1-CG2 4.38Å; L22-V40 HydrophobicContact CG-CG2 4.3Å; S36-V40 WeakPolarHBondContact O-CG2 3.28Å; S36-V40 PolarHBondContact O-N 3.01Å; V37-V40 PolarHBondContact O-N 3.08Å; E38-V40 PolarHBondContact O-N 2.74Å; V40-R42 PolarHBondContact O-N 3.38Å; V40-L43 PolarHBondContact O-N 3.43Å; V40-K44 PolarHBondContact O-N 3.01Å; V40-F52 HydrophobicContact CG1-CE1 4.48Å; V40-F52 HydrophobicContact CG1-CZ 4.05Å; V40-F52 HydrophobicContact CG2-CE1 4.42Å; V40-F73 HydrophobicContact CB-CD1 4.16Å; V40-F73 HydrophobicContact CG2-CD1 3.9Å; V40-F73 HydrophobicContact CG2-CE1 4.04Å; V40-L257 HydrophobicContact CG2-CD2 3.95Å
41A98.6Very high97.7Very high54 Ų5453.1 Ų53.145%0.44630%0.302SS..Hα-helixtrans-61-42.8177.300000112.1V37 E38 K44 G45V37-A41 PolarHBondContact O-N 3.45Å; V37-A41 VanDerWaalsContact O-N 3.17Å; E38-A41 WeakPolarHBondContact O-CB 3.47Å; E38-A41 PolarHBondContact O-N 3.05Å; E38-A41 VanDerWaalsContact O-N 3.16Å; A41-K44 PolarHBondContact O-N 3.35Å; A41-G45 PolarHBondContact O-N 3.36Å
42R98.3Very high97.9Very high75 Ų7549 Ų4928%0.28328%0.277SS..Hα-helixtrans-65.2-41.9176.4-69.7-172.9-60.4158.44.4112.2E38 A39 V40 G45 S46 A258 V261 D262 L265E38-R42 HydrophobicContact CG-CG 4.38Å; E38-R42 WeakPolarHBondContact O-CG 3.44Å; E38-R42 PolarHBondContact O-N 3.11Å; E38-R42 IonicContact OE1-NE 2.68Å; A39-R42 PolarHBondContact O-N 2.91Å; V40-R42 PolarHBondContact O-N 3.38Å; R42-G45 PolarHBondContact O-N 3.19Å; R42-S46 PolarHBondContact O-N 3.26Å; R42-A258 PolarHBondContact NH2-O 3.46Å; R42-V261 HydrophobicContact CB-CG1 4.11Å; R42-D262 IonicContact CZ-OD1 2.74Å; R42-D262 IonicContact NH1-OD1 2.7Å; R42-D262 PolarHBondContact NH1-OD1 3Å; R42-D262 IonicContact NH2-OD1 2.74Å; R42-D262 PolarHBondContact NH2-OD1 3.29Å; R42-L265 HydrophobicContact CB-CD1 4.01Å
43L97.4Very high98Very high0 Ų047.5 Ų47.50%027%0.265CS..Hα-helixtrans-60.3-47.1173.8-78.7175.7000111.7V14 L16 A39 V40 G45 S46 L48 V50 V261 L264V14-L43 HydrophobicContact CG1-CD1 4.47Å; V14-L43 HydrophobicContact CG2-CD2 4.26Å; L16-L43 HydrophobicContact CD1-CD1 3.96Å; L16-L43 HydrophobicContact CD2-CD1 4.39Å; A39-L43 PolarHBondContact O-N 2.89Å; V40-L43 PolarHBondContact O-N 3.43Å; L43-G45 VanDerWaalsContact C-N 3.29Å; L43-G45 PolarHBondContact O-N 3.47Å; L43-S46 WeakPolarHBondContact O-CB 3.4Å; L43-S46 PolarHBondContact O-N 2.84Å; L43-S46 VanDerWaalsContact O-N 3.09Å; L43-S46 PolarHBondContact O-OG 2.96Å; L43-L48 HydrophobicContact CD2-CD1 3.89Å; L43-V50 HydrophobicContact CB-CG2 3.84Å; L43-V261 HydrophobicContact CD1-CG2 3.53Å; L43-V261 HydrophobicContact CD2-CG1 4.2Å; L43-V261 HydrophobicContact CD2-CG2 3.93Å; L43-V261 HydrophobicContact CG-CB 4.39Å; L43-V261 HydrophobicContact CG-CG1 4Å; L43-V261 HydrophobicContact CG-CG2 3.48Å; L43-V261 VanDerWaalsContact CG-CG2 3.48Å; L43-L264 HydrophobicContact CD2-CD1 4.35Å
44K96.7Very high97.9Very high53 Ų5346.8 Ų46.823%0.2326%0.261CS..Hα-helixtrans-65.4-30.2177.9-76.1-163.3169.8-162.10113.5V40 A41 S46 D74 E79V40-K44 PolarHBondContact O-N 3.01Å; A41-K44 PolarHBondContact O-N 3.35Å; K44-S46 VanDerWaalsContact C-N 3.26Å; K44-S46 PolarHBondContact O-N 2.92Å; K44-D74 HydrophobicContact CD-CB 4.13Å; K44-D74 VanDerWaalsContact CD-OD2 3.23Å; K44-D74 WeakPolarHBondContact CD-OD2 3.17Å; K44-D74 WeakPolarHBondContact CE-O 3.25Å; K44-D74 VanDerWaalsContact NZ-CG 3.35Å; K44-D74 PolarHBondContact NZ-O 2.83Å; K44-D74 IonicContact NZ-OD1 3.03Å; K44-D74 PolarHBondContact NZ-OD1 3.44Å; K44-D74 IonicContact NZ-OD2 2.93Å; K44-E79 WeakPolarHBondContact CE-OE1 3.47Å; K44-E79 IonicContact NZ-OE1 3.61Å; K44-E79 PolarHBondContact NZ-OE1 2.93Å; K44-E79 IonicContact NZ-OE2 2.66Å; K44-E79 PolarHBondContact NZ-OE2 3.19Å
45G96.8Very high97.8Very high72 Ų7244.8 Ų44.874%0.74224%0.239SC*.Hα-helixtrans-75.9-9.8173.200000114.6A41 R42 L43A41-G45 PolarHBondContact O-N 3.36Å; R42-G45 PolarHBondContact O-N 3.19Å; L43-G45 VanDerWaalsContact C-N 3.29Å; L43-G45 PolarHBondContact O-N 3.47Å
46S96.5Very high97.6Very high28 Ų2844.2 Ų44.220%0.19623%0.227CC..SBendtrans-91-176-179.983.30000112.6R42 L43 K44 L48R42-S46 PolarHBondContact O-N 3.26Å; L43-S46 WeakPolarHBondContact O-CB 3.4Å; L43-S46 PolarHBondContact O-N 2.84Å; L43-S46 VanDerWaalsContact O-N 3.09Å; L43-S46 PolarHBondContact O-OG 2.96Å; K44-S46 VanDerWaalsContact C-N 3.26Å; K44-S46 PolarHBondContact O-N 2.92Å; S46-L48 VanDerWaalsContact C-N 3.34Å; S46-L48 WeakPolarHBondContact OG-CB 3.47Å; S46-L48 PolarHBondContact OG-N 3.44Å; S46-L48 VanDerWaalsContact OG-N 3.08Å
47R96.1Very high97.5Very high229 Ų22944.3 Ų44.386%0.86423%0.228SC*.SBendtrans-83.7-9.5172.6-65.4-178.5177-175.80.7113.6
48L97.7Very high97.3Very high15 Ų1543.3 Ų43.38%0.07922%0.22CC..SBendtrans-69.1137.3-179.3-62.6173.9000110.3V11 V14 L43 S46 L264 L265 T268V11-L48 HydrophobicContact CG1-CD2 4.37Å; V11-L48 WeakPolarHBondContact O-CD2 3.22Å; V14-L48 HydrophobicContact CG2-CB 4.36Å; V14-L48 HydrophobicContact CG2-CD1 4.07Å; L43-L48 HydrophobicContact CD2-CD1 3.89Å; S46-L48 VanDerWaalsContact C-N 3.34Å; S46-L48 WeakPolarHBondContact OG-CB 3.47Å; S46-L48 PolarHBondContact OG-N 3.44Å; S46-L48 VanDerWaalsContact OG-N 3.08Å; L48-L264 HydrophobicContact CD1-CB 4.22Å; L48-L265 HydrophobicContact CD1-CD2 4.26Å; L48-T268 HydrophobicContact CD2-CG2 4.36Å
49K98.3Very high97.2Very high120 Ų12039.4 Ų39.452%0.52220%0.201SC..EExtended strand (participates in β ladder)trans-80134.2170.8-59.4-60.3-175.9-179.50109.5R12 G13 V14 I202 V204R12-K49 PolarHBondContact O-N 3.17Å; G13-K49 CarbonylContact C-O 3.57Å; G13-K49 VanDerWaalsContact CA-O 3.31Å; G13-K49 WeakPolarHBondContact CA-O 3.23Å; V14-K49 PolarHBondContact N-O 3.17Å; K49-I202 HydrophobicContact CB-CB 3.95Å; K49-I202 HydrophobicContact CB-CD1 4.26Å; K49-I202 HydrophobicContact CB-CG2 4.36Å; K49-V204 HydrophobicContact CB-CG2 4.11Å; K49-V204 HydrophobicContact CG-CG2 4.15Å
50V98.4Very high97.1Very high17 Ų1739.6 Ų39.610%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-116.2135.7-178.1-175.60000109.7V14 L16 L43 F52V14-V50 WeakPolarHBondContact O-CA 3.41Å; L16-V50 HydrophobicContact CD1-CG1 3.83Å; L16-V50 HydrophobicContact CG-CG1 4.37Å; L43-V50 HydrophobicContact CB-CG2 3.84Å; V50-F52 HydrophobicContact CG1-CE2 4.46Å; V50-F52 HydrophobicContact CG1-CZ 4.22Å
51R98.6Very high97Very high37 Ų3742.8 Ų42.814%0.1422%0.215CC..EExtended strand (participates in β ladder)trans-135.4138.8169.9-168.974.2-175.81749.3109.1V14 L15 L16 G78 E79 V80 T81 A198 I202V14-R51 PolarHBondContact O-N 2.67Å; L15-R51 CarbonylContact C-O 3.56Å; L15-R51 WeakPolarHBondContact CA-O 3.33Å; L15-R51 HydrophobicContact CD2-CB 3.54Å; L15-R51 HydrophobicContact CD2-CG 4.18Å; L16-R51 PolarHBondContact N-O 3.47Å; R51-G78 VanDerWaalsContact CZ-O 3.29Å; R51-G78 PolarHBondContact NH1-O 3.27Å; R51-G78 PolarHBondContact NH2-O 3.33Å; R51-E79 VanDerWaalsContact CD-O 3.28Å; R51-E79 WeakPolarHBondContact CD-O 3.43Å; R51-E79 PolarHBondContact NE-O 3.37Å; R51-V80 PolarHBondContact NH2-O 3.41Å; R51-T81 PolarHBondContact NE-OG1 3.17Å; R51-T81 PolarHBondContact NH2-OG1 2.84Å; R51-A198 HydrophobicContact CG-CB 4.25Å; R51-I202 HydrophobicContact CB-CD1 4.36Å; R51-I202 HydrophobicContact CB-CG2 3.75Å; R51-I202 HydrophobicContact CG-CG2 4.34Å
52F98.7Very high96.9Very high0 Ų042.4 Ų42.40%021%0.211CC..EExtended strand (participates in β ladder)trans-91.4123.6171.4-54.5-83.5000108.8L16 I18 L22 V40 V50 I75 E79 V80 T81L16-F52 HydrophobicContact CB-CD1 4.03Å; L16-F52 HydrophobicContact CB-CE1 4.46Å; L16-F52 HydrophobicContact CD1-CD1 4.24Å; L16-F52 HydrophobicContact CD1-CE1 3.82Å; L16-F52 CarbonylContact O-C 3.55Å; L16-F52 WeakPolarHBondContact O-CA 3.23Å; I18-F52 HydrophobicContact CD1-CB 4Å; I18-F52 HydrophobicContact CG1-CB 4.11Å; I18-F52 HydrophobicContact CG1-CD1 4.44Å; L22-F52 HydrophobicContact CD2-CD1 3.87Å; L22-F52 HydrophobicContact CD2-CE1 3.76Å; V40-F52 HydrophobicContact CG1-CE1 4.48Å; V40-F52 HydrophobicContact CG1-CZ 4.05Å; V40-F52 HydrophobicContact CG2-CE1 4.42Å; V50-F52 HydrophobicContact CG1-CE2 4.46Å; V50-F52 HydrophobicContact CG1-CZ 4.22Å; F52-I75 HydrophobicContact CB-CD1 4.33Å; F52-I75 HydrophobicContact CD1-CD1 3.88Å; F52-I75 HydrophobicContact CD2-CD1 3.38Å; F52-I75 HydrophobicContact CD2-CG1 3.67Å; F52-I75 HydrophobicContact CE1-CD1 3.99Å; F52-I75 HydrophobicContact CE2-CB 4.12Å; F52-I75 HydrophobicContact CE2-CD1 3.51Å; F52-I75 HydrophobicContact CE2-CG1 3.47Å; F52-I75 VanDerWaalsContact CE2-CG1 3.47Å; F52-I75 HydrophobicContact CG-CD1 3.57Å; F52-I75 HydrophobicContact CG-CG1 4.38Å; F52-I75 HydrophobicContact CZ-CB 4.29Å; F52-I75 HydrophobicContact CZ-CD1 3.81Å; F52-I75 HydrophobicContact CZ-CG1 4.01Å; F52-E79 HydrophobicContact CD2-CB 3.82Å; F52-E79 HydrophobicContact CE2-CB 4.02Å; F52-E79 PolarHBondContact N-O 3.41Å; F52-V80 HydrophobicContact CB-CG2 4.23Å; F52-V80 HydrophobicContact CD2-CG2 4.48Å; F52-T81 PolarHBondContact O-N 2.88Å
53C97.9Very high96.9Very high0 Ų043.3 Ų43.30%022%0.219CC..EExtended strand (participates in β ladder)trans-121.995.9-175.4-170.90000109L15 L16 K189 F194 A198L15-C53 HydrophobicContact CB-CB 4.25Å; L16-C53 PolarHBondContact O-N 3.34Å; C53-K189 WeakPolarHBondContact O-CE 3.49Å; C53-K189 PolarHBondContact O-NZ 2.97Å; C53-F194 VanDerWaalsContact SG-CE1 3.56Å; C53-A198 HydrophobicContact CB-CB 4.49Å
54T97Very high96.8Very high2 Ų243.4 Ų43.41%0.01222%0.219CC..  trans-119.7154.2-170.2-1750000111.9I18 E56 L64 V80 T81 A82 P83 F194I18-T54 HydrophobicContact CD1-CG2 3.78Å; T54-E56 HydrophobicContact CG2-CB 4.16Å; T54-E56 WeakPolarHBondContact OG1-CB 3.48Å; T54-E56 PolarHBondContact OG1-N 2.84Å; T54-L64 HydrophobicContact CG2-CD2 4.28Å; T54-V80 HydrophobicContact CG2-CG1 3.89Å; T54-T81 PolarHBondContact N-O 3.38Å; T54-A82 HydrophobicContact CG2-CB 4.03Å; T54-P83 WeakPolarHBondContact O-CD 3.4Å; T54-F194 WeakPolarHBondContact O-CZ 3.16Å
55N95.5Very high96.9Very high40 Ų4041 Ų4121%0.21421%0.209CC..  trans-101.811.4165.1-84.74.5000112.5S57 G188 K189N55-S57 PolarHBondContact O-N 3.08Å; N55-G188 WeakPolarHBondContact OD1-CA 3.17Å; N55-K189 PolarHBondContact ND2-N 2.93Å; N55-K189 PolarHBondContact ND2-O 2.95Å; N55-K189 PolarHBondContact OD1-N 3.38Å
56E94.8Very high96.9Very high23 Ų2338.6 Ų38.611%0.10718%0.184CC..  trans-51.5125.5174.4172.861.1-82.700110.1T54 Q58 K59 L64T54-E56 HydrophobicContact CG2-CB 4.16Å; T54-E56 WeakPolarHBondContact OG1-CB 3.48Å; T54-E56 PolarHBondContact OG1-N 2.84Å; E56-Q58 WeakPolarHBondContact OE1-CA 3.23Å; E56-Q58 WeakPolarHBondContact OE1-CB 3.25Å; E56-Q58 PolarHBondContact OE1-N 3.38Å; E56-K59 HydrophobicContact CG-CB 4.42Å; E56-K59 PolarHBondContact OE1-N 3.25Å; E56-K59 IonicContact OE2-NZ 2.9Å; E56-K59 PolarHBondContact OE2-NZ 2.87Å; E56-L64 HydrophobicContact CB-CD2 4.03Å; E56-L64 HydrophobicContact CG-CD1 4.18Å; E56-L64 HydrophobicContact CG-CD2 3.84Å; E56-L64 HydrophobicContact CG-CG 4.42Å
57S95.7Very high96.9Very high2 Ų238 Ų381%0.01418%0.178CC..  trans-147.210-17465.30000113.2N55 V106 D125N55-S57 PolarHBondContact O-N 3.08Å; S57-V106 WeakPolarHBondContact O-CB 3.29Å; S57-V106 WeakPolarHBondContact O-CG1 3.41Å; S57-D125 PolarHBondContact OG-N 3.46Å
58Q94.8Very high97Very high24 Ų2427 Ų2711%0.11214%0.137CC..SBendtrans-87-25.3165.4-64-173.63.200112.6E56 H103 G105 V106 D125 Y159E56-Q58 WeakPolarHBondContact OE1-CA 3.23Å; E56-Q58 WeakPolarHBondContact OE1-CB 3.25Å; E56-Q58 PolarHBondContact OE1-N 3.38Å; Q58-H103 HydrophobicContact CB-CB 4.22Å; Q58-H103 HydrophobicContact CG-CB 4.48Å; Q58-H103 PolarHBondContact O-ND1 3.48Å; Q58-G105 CarbonylContact O-C 3.4Å; Q58-G105 VanDerWaalsContact O-CA 3.25Å; Q58-G105 WeakPolarHBondContact O-CA 3.46Å; Q58-V106 PolarHBondContact O-N 2.96Å; Q58-V106 VanDerWaalsContact O-N 3.16Å; Q58-D125 HydrophobicContact CG-CB 3.91Å; Q58-D125 WeakPolarHBondContact CG-O 3.21Å; Q58-D125 WeakPolarHBondContact CG-OD2 3.4Å; Q58-D125 PolarHBondContact NE2-OD1 3.41Å; Q58-D125 PolarHBondContact NE2-OD2 3Å; Q58-Y159 PolarHBondContact NE2-OH 3.43Å
59K95.3Very high97Very high37 Ų3732.8 Ų32.816%0.16116%0.158CC..SBendtrans-124.7146.4-176-63171.8-152.565.20110.6E56 E63 G105E56-K59 HydrophobicContact CG-CB 4.42Å; E56-K59 PolarHBondContact OE1-N 3.25Å; E56-K59 IonicContact OE2-NZ 2.9Å; E56-K59 PolarHBondContact OE2-NZ 2.87Å; K59-E63 HydrophobicContact CB-CB 4.18Å; K59-G105 CarbonylContact C-O 3.6Å
60S97.2Very high97Very high4 Ų436.1 Ų36.13%0.02817%0.167CC..  trans-63.2159166.166.40000111A62 E63 L64 G105 S108S60-A62 VanDerWaalsContact C-N 3.25Å; S60-A62 PolarHBondContact O-N 3.25Å; S60-E63 PolarHBondContact O-N 2.94Å; S60-E63 WeakPolarHBondContact OG-CG 3.42Å; S60-E63 PolarHBondContact OG-N 3.02Å; S60-L64 WeakPolarHBondContact O-CB 3.44Å; S60-L64 PolarHBondContact O-N 3.3Å; S60-G105 PolarHBondContact N-O 2.8Å; S60-S108 WeakPolarHBondContact CB-OG 3.33Å
61R97Very high96.9Very high67 Ų6737.7 Ų37.725%0.25318%0.175SC..Hα-helixtrans-58.3-40.1175.1-72.8172-67.6159.50.4111.5L64 V65 E77 V80 A82 P85 E109R61-L64 PolarHBondContact O-N 3.21Å; R61-V65 VanDerWaalsContact O-CB 3.24Å; R61-V65 WeakPolarHBondContact O-CB 3.45Å; R61-V65 WeakPolarHBondContact O-CG2 3.4Å; R61-V65 PolarHBondContact O-N 3.27Å; R61-E77 HydrophobicContact CB-CG 4.39Å; R61-V80 HydrophobicContact CG-CG1 4.29Å; R61-A82 HydrophobicContact CG-CB 3.9Å; R61-P85 VanDerWaalsContact NE-CG 3.27Å; R61-E109 VanDerWaalsContact CB-OE1 3.29Å; R61-E109 WeakPolarHBondContact CB-OE1 3.41Å; R61-E109 VanDerWaalsContact CG-OE1 3.28Å; R61-E109 WeakPolarHBondContact CG-OE1 3.41Å; R61-E109 IonicContact CZ-OE1 2.67Å; R61-E109 IonicContact CZ-OE2 3.18Å; R61-E109 PolarHBondContact N-OE1 2.94Å; R61-E109 IonicContact NE-OE1 3.77Å; R61-E109 PolarHBondContact NE-OE1 3.3Å; R61-E109 IonicContact NE-OE2 2.79Å; R61-E109 PolarHBondContact NE-OE2 2.94Å; R61-E109 IonicContact NH2-OE1 3.77Å; R61-E109 IonicContact NH2-OE2 2.8Å; R61-E109 PolarHBondContact NH2-OE2 3.15Å
62A97.3Very high96.9Very high46 Ų4638.2 Ų38.238%0.3819%0.191SC..Hα-helixtrans-59.9-46.3177.700000111.8S60 G66 E77S60-A62 VanDerWaalsContact C-N 3.25Å; S60-A62 PolarHBondContact O-N 3.25Å; A62-G66 PolarHBondContact O-N 3.32Å; A62-E77 WeakPolarHBondContact CA-OE1 3.31Å; A62-E77 WeakPolarHBondContact CB-OE1 3.45Å
63E96.4Very high96.9Very high94 Ų9438.5 Ų38.544%0.43919%0.192SC..Hα-helixtrans-65.2-47.3176.9-74.7179.1-175.800112.2K59 S60 G66 Q67K59-E63 HydrophobicContact CB-CB 4.18Å; S60-E63 PolarHBondContact O-N 2.94Å; S60-E63 WeakPolarHBondContact OG-CG 3.42Å; S60-E63 PolarHBondContact OG-N 3.02Å; E63-G66 PolarHBondContact O-N 3.34Å; E63-Q67 WeakPolarHBondContact O-CB 3.32Å; E63-Q67 PolarHBondContact O-N 3.38Å
64L96.6Very high96.8Very high2 Ų243 Ų431%0.0122%0.217CC..Hα-helixtrans-59.3-49.3178.3177.663.9000111.6I18 Y23 T54 E56 S60 R61 G66 Q67 L68I18-L64 HydrophobicContact CD1-CD2 3.72Å; I18-L64 HydrophobicContact CG2-CD1 4.41Å; Y23-L64 HydrophobicContact CE1-CD1 4.33Å; T54-L64 HydrophobicContact CG2-CD2 4.28Å; E56-L64 HydrophobicContact CB-CD2 4.03Å; E56-L64 HydrophobicContact CG-CD1 4.18Å; E56-L64 HydrophobicContact CG-CD2 3.84Å; E56-L64 HydrophobicContact CG-CG 4.42Å; S60-L64 WeakPolarHBondContact O-CB 3.44Å; S60-L64 PolarHBondContact O-N 3.3Å; R61-L64 PolarHBondContact O-N 3.21Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-G66 PolarHBondContact O-N 2.99Å; L64-Q67 WeakPolarHBondContact O-CB 3.47Å; L64-Q67 PolarHBondContact O-N 3.23Å; L64-L68 HydrophobicContact CD1-CD1 4.2Å; L64-L68 HydrophobicContact CD1-CG 4.39Å; L64-L68 HydrophobicContact CG-CD1 4.1Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.36Å
65V97.9Very high96.9Very high2 Ų243 Ų431%0.01222%0.216CC..Hα-helixtrans-63.4-42.7178.41670000110.7R61 Q67 L68 R69 I75 E77 V80R61-V65 VanDerWaalsContact O-CB 3.24Å; R61-V65 WeakPolarHBondContact O-CB 3.45Å; R61-V65 WeakPolarHBondContact O-CG2 3.4Å; R61-V65 PolarHBondContact O-N 3.27Å; V65-Q67 VanDerWaalsContact C-N 3.28Å; V65-Q67 PolarHBondContact O-N 2.94Å; V65-L68 PolarHBondContact O-N 3.48Å; V65-R69 HydrophobicContact CG1-CG 4.42Å; V65-R69 WeakPolarHBondContact O-CB 3.29Å; V65-R69 VanDerWaalsContact O-CG 3.3Å; V65-R69 WeakPolarHBondContact O-CG 3.48Å; V65-R69 PolarHBondContact O-N 3.17Å; V65-I75 HydrophobicContact CG1-CG2 4.34Å; V65-I75 HydrophobicContact CG2-CG1 4.43Å; V65-E77 HydrophobicContact CB-CG 4.09Å; V65-E77 HydrophobicContact CG1-CG 4.3Å; V65-E77 HydrophobicContact CG2-CG 3.94Å; V65-V80 HydrophobicContact CG2-CG2 3.82Å
66G97.4Very high97Very high22 Ų2243 Ų4323%0.22722%0.219CC..Hα-helixtrans-58.9-40.3174.900000112.5A62 E63 L64 R70A62-G66 PolarHBondContact O-N 3.32Å; E63-G66 PolarHBondContact O-N 3.34Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-G66 PolarHBondContact O-N 2.99Å; G66-R70 WeakPolarHBondContact O-CG 3.31Å; G66-R70 PolarHBondContact O-N 2.94Å; G66-R70 PolarHBondContact O-NH1 3.31Å
67Q96.4Very high97.1Very high14 Ų1446 Ų467%0.06523%0.234CC..Hα-helixtrans-65.9-49.5175.6-179.5178.2-25.400112.2G29 E63 L64 V65 R69 R70 L71G29-Q67 WeakPolarHBondContact O-CG 3.16Å; G29-Q67 PolarHBondContact O-NE2 3.07Å; E63-Q67 WeakPolarHBondContact O-CB 3.32Å; E63-Q67 PolarHBondContact O-N 3.38Å; L64-Q67 WeakPolarHBondContact O-CB 3.47Å; L64-Q67 PolarHBondContact O-N 3.23Å; V65-Q67 VanDerWaalsContact C-N 3.28Å; V65-Q67 PolarHBondContact O-N 2.94Å; Q67-R69 VanDerWaalsContact C-N 3.31Å; Q67-R69 PolarHBondContact O-N 2.93Å; Q67-R70 WeakPolarHBondContact O-CB 3.46Å; Q67-R70 PolarHBondContact O-N 2.84Å; Q67-R70 VanDerWaalsContact O-N 3.13Å; Q67-L71 PolarHBondContact O-N 3.37Å
68L97.8Very high97.1Very high0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-62-38.3178.1-68.1170.9000111.8I18 Y23 L64 V65 R70 L71 G72 F73 I75I18-L68 HydrophobicContact CD1-CD1 4.27Å; I18-L68 HydrophobicContact CG2-CD1 3.79Å; I18-L68 HydrophobicContact CG2-CD2 4.16Å; Y23-L68 HydrophobicContact CD1-CD2 3.58Å; Y23-L68 HydrophobicContact CE1-CD2 4.04Å; Y23-L68 HydrophobicContact CG-CD2 3.97Å; L64-L68 HydrophobicContact CD1-CD1 4.2Å; L64-L68 HydrophobicContact CD1-CG 4.39Å; L64-L68 HydrophobicContact CG-CD1 4.1Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.36Å; V65-L68 PolarHBondContact O-N 3.48Å; L68-R70 VanDerWaalsContact C-N 3.34Å; L68-R70 PolarHBondContact O-N 3.48Å; L68-L71 CarbonylContact O-C 3.54Å; L68-L71 WeakPolarHBondContact O-CA 3.49Å; L68-L71 WeakPolarHBondContact O-CB 3.47Å; L68-L71 PolarHBondContact O-N 3.23Å; L68-L71 VanDerWaalsContact O-N 3.08Å; L68-G72 PolarHBondContact O-N 3Å; L68-F73 HydrophobicContact CB-CB 4.2Å; L68-F73 HydrophobicContact CB-CD2 4.1Å; L68-F73 HydrophobicContact CB-CG 4.46Å; L68-F73 HydrophobicContact CD2-CD2 3.95Å; L68-F73 HydrophobicContact CD2-CE2 4.19Å; L68-F73 WeakPolarHBondContact O-CB 3.49Å; L68-F73 VanDerWaalsContact O-CD2 3.32Å; L68-F73 WeakPolarHBondContact O-CD2 3.42Å; L68-F73 PolarHBondContact O-N 2.89Å; L68-F73 VanDerWaalsContact O-N 3.07Å; L68-I75 HydrophobicContact CB-CG2 3.81Å; L68-I75 HydrophobicContact CD1-CD1 3.82Å; L68-I75 HydrophobicContact CD1-CG2 4.46Å
69R98.2Very high97.3Very high136 Ų13649.7 Ų49.751%0.51327%0.266SS..Hα-helixtrans-61-39.9173.6-76.6176.1174.7179.8-2.7112.8V65 Q67 L71 G72 I75V65-R69 HydrophobicContact CG1-CG 4.42Å; V65-R69 WeakPolarHBondContact O-CB 3.29Å; V65-R69 VanDerWaalsContact O-CG 3.3Å; V65-R69 WeakPolarHBondContact O-CG 3.48Å; V65-R69 PolarHBondContact O-N 3.17Å; Q67-R69 VanDerWaalsContact C-N 3.31Å; Q67-R69 PolarHBondContact O-N 2.93Å; R69-L71 PolarHBondContact O-N 3.26Å; R69-G72 PolarHBondContact O-N 3.19Å; R69-I75 HydrophobicContact CG-CG2 4.2Å; R69-I75 VanDerWaalsContact CZ-O 3.23Å; R69-I75 PolarHBondContact NE-O 2.97Å; R69-I75 PolarHBondContact NH2-O 2.94Å
70R97.4Very high97.4Very high190 Ų19048.1 Ų48.172%0.71726%0.259SS*.Hα-helixtrans-64.1-28.2174.8-73-173.8-63.9-905.7112.6G66 Q67 L68 G72G66-R70 WeakPolarHBondContact O-CG 3.31Å; G66-R70 PolarHBondContact O-N 2.94Å; G66-R70 PolarHBondContact O-NH1 3.31Å; Q67-R70 WeakPolarHBondContact O-CB 3.46Å; Q67-R70 PolarHBondContact O-N 2.84Å; Q67-R70 VanDerWaalsContact O-N 3.13Å; L68-R70 VanDerWaalsContact C-N 3.34Å; L68-R70 PolarHBondContact O-N 3.48Å; R70-G72 PolarHBondContact O-N 2.87Å
71L97.3Very high97.4Very high50 Ų5048.6 Ų48.626%0.26226%0.262SS..THydrogen-bonded Turntrans-80.4-1.8172.8-64.5176.1000113.3Y23 A32 V37 Q67 L68 R69 F73Y23-L71 HydrophobicContact CD2-CD1 3.92Å; Y23-L71 HydrophobicContact CG-CD1 4.16Å; A32-L71 HydrophobicContact CB-CB 4.39Å; V37-L71 WeakPolarHBondContact CG2-O 3.34Å; Q67-L71 PolarHBondContact O-N 3.37Å; L68-L71 CarbonylContact O-C 3.54Å; L68-L71 WeakPolarHBondContact O-CA 3.49Å; L68-L71 WeakPolarHBondContact O-CB 3.47Å; L68-L71 PolarHBondContact O-N 3.23Å; L68-L71 VanDerWaalsContact O-N 3.08Å; R69-L71 PolarHBondContact O-N 3.26Å; L71-F73 HydrophobicContact CB-CD2 3.93Å; L71-F73 HydrophobicContact CB-CE2 3.98Å; L71-F73 HydrophobicContact CD1-CE2 4.5Å
72G98.1Very high97.5Very high47 Ų4745.8 Ų45.849%0.48525%0.253SS..THydrogen-bonded Turntrans97.93.917600000115.2V37 L68 R69 R70V37-G72 VanDerWaalsContact CG1-O 3.3Å; V37-G72 WeakPolarHBondContact CG1-O 3.35Å; L68-G72 PolarHBondContact O-N 3Å; R69-G72 PolarHBondContact O-N 3.19Å; R70-G72 PolarHBondContact O-N 2.87Å
73F98.6Very high97.4Very high6 Ų643.6 Ų43.63%0.02624%0.235CC..  trans-74131.3178.9-67.6-81.5000112.1L22 A32 V37 V40 L68 L71 I75L22-F73 HydrophobicContact CB-CE1 3.93Å; L22-F73 HydrophobicContact CB-CE2 4.37Å; L22-F73 HydrophobicContact CB-CZ 3.79Å; L22-F73 HydrophobicContact CD2-CD1 4.41Å; L22-F73 HydrophobicContact CD2-CE1 4.39Å; L22-F73 HydrophobicContact CG-CD1 4.34Å; L22-F73 HydrophobicContact CG-CE1 3.86Å; L22-F73 HydrophobicContact CG-CZ 4.25Å; L22-F73 VanDerWaalsContact O-CZ 3.26Å; L22-F73 WeakPolarHBondContact O-CZ 3.1Å; A32-F73 HydrophobicContact CB-CE2 4Å; A32-F73 HydrophobicContact CB-CZ 4.19Å; V37-F73 HydrophobicContact CB-CE1 4.27Å; V37-F73 HydrophobicContact CB-CZ 4.47Å; V37-F73 HydrophobicContact CG2-CD1 4.15Å; V37-F73 HydrophobicContact CG2-CD2 4.17Å; V37-F73 HydrophobicContact CG2-CE1 3.77Å; V37-F73 HydrophobicContact CG2-CE2 3.77Å; V37-F73 HydrophobicContact CG2-CG 4.33Å; V37-F73 HydrophobicContact CG2-CZ 3.53Å; V40-F73 HydrophobicContact CB-CD1 4.16Å; V40-F73 HydrophobicContact CG2-CD1 3.9Å; V40-F73 HydrophobicContact CG2-CE1 4.04Å; L68-F73 HydrophobicContact CB-CB 4.2Å; L68-F73 HydrophobicContact CB-CD2 4.1Å; L68-F73 HydrophobicContact CB-CG 4.46Å; L68-F73 HydrophobicContact CD2-CD2 3.95Å; L68-F73 HydrophobicContact CD2-CE2 4.19Å; L68-F73 WeakPolarHBondContact O-CB 3.49Å; L68-F73 VanDerWaalsContact O-CD2 3.32Å; L68-F73 WeakPolarHBondContact O-CD2 3.42Å; L68-F73 PolarHBondContact O-N 2.89Å; L68-F73 VanDerWaalsContact O-N 3.07Å; L71-F73 HydrophobicContact CB-CD2 3.93Å; L71-F73 HydrophobicContact CB-CE2 3.98Å; L71-F73 HydrophobicContact CD1-CE2 4.5Å; F73-I75 HydrophobicContact CB-CG2 4.02Å; F73-I75 PolarHBondContact O-N 3.2Å
74D96.9Very high97.5Very high96 Ų9639.2 Ų39.251%0.51322%0.215SC..  trans-75.799162.1176.73.3000108.8K44K44-D74 HydrophobicContact CD-CB 4.13Å; K44-D74 VanDerWaalsContact CD-OD2 3.23Å; K44-D74 WeakPolarHBondContact CD-OD2 3.17Å; K44-D74 WeakPolarHBondContact CE-O 3.25Å; K44-D74 VanDerWaalsContact NZ-CG 3.35Å; K44-D74 PolarHBondContact NZ-O 2.83Å; K44-D74 IonicContact NZ-OD1 3.03Å; K44-D74 PolarHBondContact NZ-OD1 3.44Å; K44-D74 IonicContact NZ-OD2 2.93Å
75I98Very high97.4Very high1 Ų140.9 Ų40.91%0.00523%0.226CC..  trans-149.5150.4-180-174.3166.9000110.5F52 V65 L68 R69 F73 E79 V80F52-I75 HydrophobicContact CB-CD1 4.33Å; F52-I75 HydrophobicContact CD1-CD1 3.88Å; F52-I75 HydrophobicContact CD2-CD1 3.38Å; F52-I75 HydrophobicContact CD2-CG1 3.67Å; F52-I75 HydrophobicContact CE1-CD1 3.99Å; F52-I75 HydrophobicContact CE2-CB 4.12Å; F52-I75 HydrophobicContact CE2-CD1 3.51Å; F52-I75 HydrophobicContact CE2-CG1 3.47Å; F52-I75 VanDerWaalsContact CE2-CG1 3.47Å; F52-I75 HydrophobicContact CG-CD1 3.57Å; F52-I75 HydrophobicContact CG-CG1 4.38Å; F52-I75 HydrophobicContact CZ-CB 4.29Å; F52-I75 HydrophobicContact CZ-CD1 3.81Å; F52-I75 HydrophobicContact CZ-CG1 4.01Å; V65-I75 HydrophobicContact CG1-CG2 4.34Å; V65-I75 HydrophobicContact CG2-CG1 4.43Å; L68-I75 HydrophobicContact CB-CG2 3.81Å; L68-I75 HydrophobicContact CD1-CD1 3.82Å; L68-I75 HydrophobicContact CD1-CG2 4.46Å; R69-I75 HydrophobicContact CG-CG2 4.2Å; R69-I75 VanDerWaalsContact CZ-O 3.23Å; R69-I75 PolarHBondContact NE-O 2.97Å; R69-I75 PolarHBondContact NH2-O 2.94Å; F73-I75 HydrophobicContact CB-CG2 4.02Å; F73-I75 PolarHBondContact O-N 3.2Å; I75-E79 WeakPolarHBondContact CA-OE2 3.47Å; I75-V80 HydrophobicContact CD1-CG2 3.91Å; I75-V80 HydrophobicContact CG1-CG2 4.23Å
76S97.8Very high97.3Very high39 Ų3942.1 Ų42.127%0.27324%0.237SC..  trans-134.8156.8174.764.90000111.4G78 E79S76-G78 PolarHBondContact O-N 3.48Å; S76-E79 PolarHBondContact N-OE2 3.36Å; S76-E79 WeakPolarHBondContact O-CB 3.41Å; S76-E79 PolarHBondContact O-N 2.96Å; S76-E79 VanDerWaalsContact OG-CD 3.31Å; S76-E79 WeakPolarHBondContact OG-CG 3.29Å; S76-E79 PolarHBondContact OG-OE2 2.66Å
77E97Very high97.3Very high88 Ų8841.1 Ų41.141%0.41123%0.226SC..G310 helixtrans-58-34179.5-66.9178.8-132.200112.8R61 A62 V65 E79 V80R61-E77 HydrophobicContact CB-CG 4.39Å; A62-E77 WeakPolarHBondContact CA-OE1 3.31Å; A62-E77 WeakPolarHBondContact CB-OE1 3.45Å; V65-E77 HydrophobicContact CB-CG 4.09Å; V65-E77 HydrophobicContact CG1-CG 4.3Å; V65-E77 HydrophobicContact CG2-CG 3.94Å; E77-E79 PolarHBondContact O-N 2.91Å; E77-V80 PolarHBondContact O-N 2.94Å; E77-V80 VanDerWaalsContact O-N 3.14Å
78G96.7Very high97.3Very high57 Ų5741 Ų4159%0.58823%0.227SC*.G310 helixtrans-64-17.5177.600000113.9R51 S76R51-G78 VanDerWaalsContact CZ-O 3.29Å; R51-G78 PolarHBondContact NH1-O 3.27Å; R51-G78 PolarHBondContact NH2-O 3.33Å; S76-G78 PolarHBondContact O-N 3.48Å
79E97.7Very high97.2Very high45 Ų4546.4 Ų46.421%0.2125%0.252CS..G310 helixtrans-95-5.8179.3-63.3169.1120.100113K44 R51 F52 I75 S76 E77K44-E79 WeakPolarHBondContact CE-OE1 3.47Å; K44-E79 IonicContact NZ-OE1 3.61Å; K44-E79 PolarHBondContact NZ-OE1 2.93Å; K44-E79 IonicContact NZ-OE2 2.66Å; K44-E79 PolarHBondContact NZ-OE2 3.19Å; R51-E79 VanDerWaalsContact CD-O 3.28Å; R51-E79 WeakPolarHBondContact CD-O 3.43Å; R51-E79 PolarHBondContact NE-O 3.37Å; F52-E79 HydrophobicContact CD2-CB 3.82Å; F52-E79 HydrophobicContact CE2-CB 4.02Å; F52-E79 PolarHBondContact N-O 3.41Å; I75-E79 WeakPolarHBondContact CA-OE2 3.47Å; S76-E79 PolarHBondContact N-OE2 3.36Å; S76-E79 WeakPolarHBondContact O-CB 3.41Å; S76-E79 PolarHBondContact O-N 2.96Å; S76-E79 VanDerWaalsContact OG-CD 3.31Å; S76-E79 WeakPolarHBondContact OG-CG 3.29Å; S76-E79 PolarHBondContact OG-OE2 2.66Å; E77-E79 PolarHBondContact O-N 2.91Å
80V98.3Very high97.1Very high4 Ų441.6 Ų41.62%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-101.7123.7-174.9-175.70000110.7I18 R51 F52 T54 R61 V65 I75 E77 A82I18-V80 HydrophobicContact CD1-CG1 4.41Å; R51-V80 PolarHBondContact NH2-O 3.41Å; F52-V80 HydrophobicContact CB-CG2 4.23Å; F52-V80 HydrophobicContact CD2-CG2 4.48Å; T54-V80 HydrophobicContact CG2-CG1 3.89Å; R61-V80 HydrophobicContact CG-CG1 4.29Å; V65-V80 HydrophobicContact CG2-CG2 3.82Å; I75-V80 HydrophobicContact CD1-CG2 3.91Å; I75-V80 HydrophobicContact CG1-CG2 4.23Å; E77-V80 PolarHBondContact O-N 2.94Å; E77-V80 VanDerWaalsContact O-N 3.14Å; V80-A82 HydrophobicContact CG1-CB 4.25Å
81T97.6Very high97.1Very high14 Ų1432.6 Ų32.69%0.08620%0.202CC..EExtended strand (participates in β ladder)trans-99115.5163.4-59.70000108.1R51 F52 T54 F194 A198R51-T81 PolarHBondContact NE-OG1 3.17Å; R51-T81 PolarHBondContact NH2-OG1 2.84Å; F52-T81 PolarHBondContact O-N 2.88Å; T54-T81 PolarHBondContact N-O 3.38Å; T81-F194 HydrophobicContact CG2-CD2 4.32Å; T81-F194 HydrophobicContact CG2-CE1 4.24Å; T81-F194 HydrophobicContact CG2-CE2 3.78Å; T81-F194 HydrophobicContact CG2-CZ 3.75Å; T81-A198 HydrophobicContact CG2-CB 4.21Å
82A97.3Very high97.2Very high8 Ų836.5 Ų36.57%0.06622%0.217CC..  trans-128159.5-178.600000109.7T54 R61 V80 P85T54-A82 HydrophobicContact CG2-CB 4.03Å; R61-A82 HydrophobicContact CG-CB 3.9Å; V80-A82 HydrophobicContact CG1-CB 4.25Å; A82-P85 WeakPolarHBondContact O-CD 3.01Å
83P97Very high97.1Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-73.7-33.3-171.528.2-35.8000113.7T54 A86 A87 L153 V187 F194T54-P83 WeakPolarHBondContact O-CD 3.4Å; P83-A86 PolarHBondContact O-N 2.86Å; P83-A87 PolarHBondContact O-N 3Å; P83-L153 HydrophobicContact CB-CB 3.93Å; P83-L153 HydrophobicContact CB-CD2 4.18Å; P83-L153 HydrophobicContact CB-CG 4.44Å; P83-L153 HydrophobicContact CG-CB 3.97Å; P83-L153 HydrophobicContact CG-CD1 4.47Å; P83-V187 HydrophobicContact CB-CG1 4.43Å; P83-F194 HydrophobicContact CB-CE2 4.49Å
84A97.4Very high97Very high3 Ų346.6 Ų46.63%0.02525%0.246CC..Hα-helixtrans-59.5-46.8-175.600000113.7A86 A87 C88 V106 E109 F110 L153A84-A86 VanDerWaalsContact C-N 3.31Å; A84-A86 PolarHBondContact O-N 2.96Å; A84-A87 WeakPolarHBondContact O-CB 3.46Å; A84-A87 PolarHBondContact O-N 3.17Å; A84-C88 PolarHBondContact O-N 3.36Å; A84-C88 PolarHBondContact O-SG 2.88Å; A84-C88 VanDerWaalsContact O-SG 3.37Å; A84-V106 HydrophobicContact CB-CG2 4.14Å; A84-E109 HydrophobicContact CB-CB 3.78Å; A84-E109 HydrophobicContact CB-CG 4.07Å; A84-F110 HydrophobicContact CB-CE2 3.93Å; A84-F110 HydrophobicContact CB-CZ 3.92Å; A84-L153 HydrophobicContact CB-CD1 4.13Å
85P95.6Very high97.1Very high37 Ų3744.3 Ų44.324%0.2425%0.245CC..Hα-helixtrans-59.6-38.4174.7-26.634.9000114.1R61 A82 C88 Q89R61-P85 VanDerWaalsContact NE-CG 3.27Å; A82-P85 WeakPolarHBondContact O-CD 3.01Å; P85-C88 PolarHBondContact O-N 3.14Å; P85-Q89 PolarHBondContact O-N 3.41Å
86A94.5Very high97.1Very high28 Ų2845.3 Ų45.323%0.23125%0.25CS..Hα-helixtrans-67.2-40.3177.300000111.2P83 A84 Q89 I90 V187P83-A86 PolarHBondContact O-N 2.86Å; A84-A86 VanDerWaalsContact C-N 3.31Å; A84-A86 PolarHBondContact O-N 2.96Å; A86-Q89 PolarHBondContact O-N 2.85Å; A86-I90 WeakPolarHBondContact O-CG1 3.35Å; A86-I90 PolarHBondContact O-N 2.82Å; A86-I90 VanDerWaalsContact O-N 3.14Å; A86-V187 HydrophobicContact CB-CG1 3.64Å
87A97.2Very high97.1Very high0 Ų047.1 Ų47.10%025%0.251CS..Hα-helixtrans-62.4-47.417300000111.4P83 A84 Q89 I90 L91 M151 L153 V187P83-A87 PolarHBondContact O-N 3Å; A84-A87 WeakPolarHBondContact O-CB 3.46Å; A84-A87 PolarHBondContact O-N 3.17Å; A87-Q89 VanDerWaalsContact C-N 3.25Å; A87-Q89 PolarHBondContact O-N 3.25Å; A87-I90 PolarHBondContact O-N 3.37Å; A87-I90 VanDerWaalsContact O-N 3.1Å; A87-L91 VanDerWaalsContact O-CG 3.23Å; A87-L91 WeakPolarHBondContact O-CG 3.37Å; A87-L91 PolarHBondContact O-N 2.93Å; A87-M151 HydrophobicContact CB-SD 3.51Å; A87-M151 VanDerWaalsContact CB-SD 3.51Å; A87-L153 HydrophobicContact CB-CD2 3.51Å; A87-V187 HydrophobicContact CB-CG1 4.36Å
88C97.8Very high97.2Very high12 Ų1243 Ų438%0.08123%0.232CC..Hα-helixtrans-55.4-39176-73.80000112.9A84 P85 K92 E109 F110 I113A84-C88 PolarHBondContact O-N 3.36Å; A84-C88 PolarHBondContact O-SG 2.88Å; A84-C88 VanDerWaalsContact O-SG 3.37Å; P85-C88 PolarHBondContact O-N 3.14Å; C88-K92 WeakPolarHBondContact O-CG 3.28Å; C88-K92 PolarHBondContact O-N 3.03Å; C88-K92 VanDerWaalsContact O-N 3.12Å; C88-E109 PolarHBondContact SG-O 2.94Å; C88-F110 WeakPolarHBondContact SG-CD1 3.44Å; C88-I113 HydrophobicContact CB-CD1 3.92Å; C88-I113 HydrophobicContact CB-CG1 4.19Å
89Q94.9Very high97.3Very high114 Ų11442.7 Ų42.753%0.53321%0.213SC..Hα-helixtrans-64-49.6174.7-179.2175.1-1.900111.6P85 A86 A87 L91 K92 E93P85-Q89 PolarHBondContact O-N 3.41Å; A86-Q89 PolarHBondContact O-N 2.85Å; A87-Q89 VanDerWaalsContact C-N 3.25Å; A87-Q89 PolarHBondContact O-N 3.25Å; Q89-L91 VanDerWaalsContact C-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.4Å; Q89-K92 PolarHBondContact O-N 3.02Å; Q89-E93 HydrophobicContact CG-CG 4.37Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.36Å; Q89-E93 PolarHBondContact NE2-OE1 3.26Å; Q89-E93 WeakPolarHBondContact O-CG 3.38Å; Q89-E93 PolarHBondContact O-N 3.15Å
90I96.1Very high97.4Very high35 Ų3541.6 Ų41.618%0.17921%0.209CC..Hα-helixtrans-60.4-42.1178.7-64.2163.6000111A86 A87 K92 E93 R94 M151 V187A86-I90 WeakPolarHBondContact O-CG1 3.35Å; A86-I90 PolarHBondContact O-N 2.82Å; A86-I90 VanDerWaalsContact O-N 3.14Å; A87-I90 PolarHBondContact O-N 3.37Å; A87-I90 VanDerWaalsContact O-N 3.1Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 3.21Å; I90-E93 PolarHBondContact O-N 3.46Å; I90-R94 HydrophobicContact CG2-CG 4.35Å; I90-R94 WeakPolarHBondContact O-CB 3.37Å; I90-R94 WeakPolarHBondContact O-CG 3.38Å; I90-R94 PolarHBondContact O-N 3.42Å; I90-M151 HydrophobicContact CB-CE 3.91Å; I90-M151 HydrophobicContact CD1-CE 4.46Å; I90-M151 HydrophobicContact CG2-CE 3.48Å; I90-M151 VanDerWaalsContact CG2-CE 3.48Å; I90-V187 HydrophobicContact CD1-CG2 3.71Å
91L98.1Very high97.4Very high1 Ų141.6 Ų41.61%0.00521%0.209CC..Hα-helixtrans-59.2-46.4178-68.6169.9000111.2A87 Q89 G95 L96 P98 F110 I113 V122 M151A87-L91 VanDerWaalsContact O-CG 3.23Å; A87-L91 WeakPolarHBondContact O-CG 3.37Å; A87-L91 PolarHBondContact O-N 2.93Å; Q89-L91 VanDerWaalsContact C-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.4Å; L91-G95 PolarHBondContact O-N 3.03Å; L91-L96 HydrophobicContact CB-CB 4.43Å; L91-L96 HydrophobicContact CD2-CB 3.53Å; L91-L96 HydrophobicContact CD2-CD1 4.18Å; L91-L96 PolarHBondContact O-N 2.78Å; L91-P98 HydrophobicContact CD1-CB 4.39Å; L91-P98 HydrophobicContact CD1-CG 3.82Å; L91-P98 HydrophobicContact CD2-CB 4.32Å; L91-P98 HydrophobicContact CD2-CG 4.42Å; L91-F110 HydrophobicContact CD1-CD1 4.46Å; L91-F110 HydrophobicContact CD1-CE1 4.28Å; L91-I113 HydrophobicContact CB-CD1 4.5Å; L91-I113 HydrophobicContact CD1-CG2 4.05Å; L91-V122 HydrophobicContact CD1-CG2 4.15Å; L91-V122 HydrophobicContact CD2-CG2 4.18Å; L91-M151 HydrophobicContact CD2-CE 4.29Å
92K97.8Very high97.4Very high132 Ų13241.1 Ų41.157%0.57421%0.206SC*.Hα-helixtrans-64.4-47.5177.6-72.8175-178.5-1780112.2C88 Q89 I90 R94 G95 I113C88-K92 WeakPolarHBondContact O-CG 3.28Å; C88-K92 PolarHBondContact O-N 3.03Å; C88-K92 VanDerWaalsContact O-N 3.12Å; Q89-K92 PolarHBondContact O-N 3.02Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 3.21Å; K92-R94 VanDerWaalsContact C-N 3.26Å; K92-R94 PolarHBondContact O-N 2.9Å; K92-G95 PolarHBondContact O-N 3.14Å; K92-I113 HydrophobicContact CD-CD1 4.21Å; K92-I113 VanDerWaalsContact CE-CD1 3.48Å; K92-I113 HydrophobicContact CG-CD1 3.85Å
93E96.6Very high97.4Very high134 Ų13443.9 Ų43.963%0.62622%0.217SC*.Hα-helixtrans-62.5-34.1-178.3-73.6172.1-179.800112.6Q89 I90Q89-E93 HydrophobicContact CG-CG 4.37Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.36Å; Q89-E93 PolarHBondContact NE2-OE1 3.26Å; Q89-E93 WeakPolarHBondContact O-CG 3.38Å; Q89-E93 PolarHBondContact O-N 3.15Å; I90-E93 PolarHBondContact O-N 3.46Å
94R97.4Very high97.4Very high130 Ų13048.8 Ų48.849%0.49124%0.243SC..Hα-helixtrans-98.20.6-178.7-60-171.7-168.5176.414.6114.2I90 K92 L96 E185I90-R94 HydrophobicContact CG2-CG 4.35Å; I90-R94 WeakPolarHBondContact O-CB 3.37Å; I90-R94 WeakPolarHBondContact O-CG 3.38Å; I90-R94 PolarHBondContact O-N 3.42Å; K92-R94 VanDerWaalsContact C-N 3.26Å; K92-R94 PolarHBondContact O-N 2.9Å; R94-L96 VanDerWaalsContact C-N 3.27Å; R94-L96 HydrophobicContact CB-CD1 4Å; R94-L96 HydrophobicContact CB-CG 3.84Å; R94-L96 PolarHBondContact O-N 3.28Å; R94-E185 IonicContact CZ-OE1 3.98Å; R94-E185 IonicContact CZ-OE2 3.25Å; R94-E185 VanDerWaalsContact CZ-OE2 3.25Å; R94-E185 IonicContact NH1-OE1 2.87Å; R94-E185 PolarHBondContact NH1-OE1 3.11Å; R94-E185 IonicContact NH1-OE2 2.79Å; R94-E185 PolarHBondContact NH1-OE2 3.25Å; R94-E185 IonicContact NH2-OE2 2.87Å; R94-E185 PolarHBondContact NH2-OE2 2.93Å
95G97.6Very high97.3Very high48 Ų4849.1 Ų49.150%0.49525%0.247SC..THydrogen-bonded Turntrans62.133.5-176.500000113.7L91 K92 N119L91-G95 PolarHBondContact O-N 3.03Å; K92-G95 PolarHBondContact O-N 3.14Å; G95-N119 PolarHBondContact O-ND2 2.9Å
96L98.4Very high97.4Very high23 Ų2347.4 Ų47.412%0.1224%0.236CC..  trans-89.6140.9179.1-62.9174.5000111.2L91 R94 N119 C120 V149L91-L96 HydrophobicContact CB-CB 4.43Å; L91-L96 HydrophobicContact CD2-CB 3.53Å; L91-L96 HydrophobicContact CD2-CD1 4.18Å; L91-L96 PolarHBondContact O-N 2.78Å; R94-L96 VanDerWaalsContact C-N 3.27Å; R94-L96 HydrophobicContact CB-CD1 4Å; R94-L96 HydrophobicContact CB-CG 3.84Å; R94-L96 PolarHBondContact O-N 3.28Å; L96-N119 VanDerWaalsContact CA-OD1 3.3Å; L96-N119 WeakPolarHBondContact CA-OD1 3.42Å; L96-C120 HydrophobicContact CD2-CB 4.32Å; L96-V149 HydrophobicContact CD1-CG1 4.23Å
97R98.7Very high97.5Very high76 Ų7651.3 Ų51.329%0.28725%0.245SC..  trans-121109.7177.6-64.1-178.2-56.5-74.8-7.1108.1D114 S116 N117 P118 N119 C120R97-D114 VanDerWaalsContact CA-O 3.25Å; R97-D114 WeakPolarHBondContact CA-O 3.32Å; R97-D114 VanDerWaalsContact CB-O 3.22Å; R97-D114 WeakPolarHBondContact CB-O 3.35Å; R97-D114 WeakPolarHBondContact CD-OD2 3.37Å; R97-D114 HydrophobicContact CG-CB 4.21Å; R97-D114 WeakPolarHBondContact CG-O 3.44Å; R97-S116 VanDerWaalsContact CD-O 3.23Å; R97-S116 WeakPolarHBondContact CD-O 3.39Å; R97-S116 PolarHBondContact NE-O 3.46Å; R97-N117 PolarHBondContact NE-O 3.11Å; R97-N117 VanDerWaalsContact NE-O 3.14Å; R97-N117 PolarHBondContact NH2-O 2.8Å; R97-P118 CarbonylContact O-C 3.48Å; R97-P118 WeakPolarHBondContact O-CA 3.43Å; R97-N119 PolarHBondContact N-OD1 3.48Å; R97-N119 PolarHBondContact O-N 2.8Å; R97-N119 PolarHBondContact O-OD1 3.39Å; R97-C120 PolarHBondContact O-N 3.16Å
98P98.8Very high97.6Very high1 Ų154 Ų541%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-86.5141.1-169.534.4-36.2000112.5L91 L100 I113 D114 T115 C120 V122L91-P98 HydrophobicContact CD1-CB 4.39Å; L91-P98 HydrophobicContact CD1-CG 3.82Å; L91-P98 HydrophobicContact CD2-CB 4.32Å; L91-P98 HydrophobicContact CD2-CG 4.42Å; P98-L100 HydrophobicContact CB-CD2 3.94Å; P98-L100 HydrophobicContact CB-CG 4.49Å; P98-L100 HydrophobicContact CG-CD2 3.67Å; P98-L100 HydrophobicContact CG-CG 4.16Å; P98-I113 VanDerWaalsContact CD-CG2 3.49Å; P98-I113 HydrophobicContact CG-CG2 3.88Å; P98-D114 WeakPolarHBondContact CD-O 3.16Å; P98-T115 HydrophobicContact CG-CG2 4.21Å; P98-T115 WeakPolarHBondContact O-CB 3.2Å; P98-C120 CarbonylContact C-O 3.22Å; P98-C120 WeakPolarHBondContact CA-O 3.48Å; P98-C120 VanDerWaalsContact CA-SG 3.52Å; P98-V122 HydrophobicContact CB-CB 4.07Å; P98-V122 HydrophobicContact CB-CG2 3.56Å; P98-V122 HydrophobicContact CG-CG2 4.34Å
99Y98.8Very high97.6Very high51 Ų5154.9 Ų54.920%0.227%0.267CS..EExtended strand (participates in β ladder)trans-73.5119.9146.1178.6-86.2000107.7L101 C120 V121 V122 N137 A138 V141Y99-L101 HydrophobicContact CD1-CB 4.46Å; Y99-L101 HydrophobicContact CE1-CB 4.21Å; Y99-C120 PolarHBondContact N-O 2.89Å; Y99-V121 HydrophobicContact CD1-CG2 4.4Å; Y99-V121 WeakPolarHBondContact O-CA 3.41Å; Y99-V122 PolarHBondContact O-N 3.33Å; Y99-N137 HydrophobicContact CE2-CB 4.1Å; Y99-N137 WeakPolarHBondContact OH-CB 3.28Å; Y99-A138 HydrophobicContact CD1-CB 3.83Å; Y99-A138 HydrophobicContact CE1-CB 3.72Å; Y99-V141 HydrophobicContact CD2-CG2 4.13Å; Y99-V141 HydrophobicContact CG-CG2 4.26Å
100L98.8Very high97.7Very high23 Ų2349.7 Ų49.712%0.1224%0.242CC..EExtended strand (participates in β ladder)trans-91.2105.8-176.3-65.4175.7000110.6P98 I102 F110 T115 V122P98-L100 HydrophobicContact CB-CD2 3.94Å; P98-L100 HydrophobicContact CB-CG 4.49Å; P98-L100 HydrophobicContact CG-CD2 3.67Å; P98-L100 HydrophobicContact CG-CG 4.16Å; L100-I102 HydrophobicContact CB-CD1 3.87Å; L100-I102 HydrophobicContact CB-CG1 3.97Å; L100-I102 HydrophobicContact CB-CG2 4.28Å; L100-I102 HydrophobicContact CD1-CD1 3.9Å; L100-I102 HydrophobicContact CD2-CD1 4.38Å; L100-I102 HydrophobicContact CD2-CG2 4.47Å; L100-I102 HydrophobicContact CG-CD1 4.28Å; L100-F110 HydrophobicContact CD1-CB 3.82Å; L100-F110 HydrophobicContact CD1-CD2 4.46Å; L100-F110 HydrophobicContact CD1-CG 4.07Å; L100-F110 HydrophobicContact CD2-CD1 3.8Å; L100-F110 HydrophobicContact CD2-CD2 4.3Å; L100-F110 HydrophobicContact CD2-CE1 4.05Å; L100-F110 HydrophobicContact CD2-CG 3.95Å; L100-F110 HydrophobicContact CD2-CZ 4.39Å; L100-T115 HydrophobicContact CD1-CG2 3.79Å; L100-T115 HydrophobicContact CG-CG2 4.1Å; L100-V122 HydrophobicContact CD2-CB 4.07Å; L100-V122 HydrophobicContact CD2-CG1 4.42Å
101L98.8Very high97.8Very high3 Ų353.4 Ų53.42%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-96.979.5168-178.561.2000108.9Y99 V122 I123 A124 F130 N134 M135 A138 L176Y99-L101 HydrophobicContact CD1-CB 4.46Å; Y99-L101 HydrophobicContact CE1-CB 4.21Å; L101-V122 PolarHBondContact N-O 3.42Å; L101-I123 HydrophobicContact CB-CG1 4.38Å; L101-I123 HydrophobicContact CD2-CB 4.47Å; L101-I123 HydrophobicContact CD2-CD1 3.84Å; L101-I123 HydrophobicContact CD2-CG1 3.8Å; L101-I123 HydrophobicContact CG-CG1 4.11Å; L101-I123 WeakPolarHBondContact O-CA 3.46Å; L101-A124 PolarHBondContact O-N 3.31Å; L101-F130 HydrophobicContact CD1-CD1 4.43Å; L101-F130 HydrophobicContact CD2-CD1 4.37Å; L101-F130 HydrophobicContact CD2-CE1 4.25Å; L101-F130 HydrophobicContact CG-CD1 4.34Å; L101-F130 HydrophobicContact CG-CE1 4.2Å; L101-N134 HydrophobicContact CD1-CB 3.66Å; L101-M135 HydrophobicContact CD2-SD 3.54Å; L101-M135 VanDerWaalsContact CD2-SD 3.54Å; L101-A138 HydrophobicContact CB-CB 4.49Å; L101-A138 HydrophobicContact CD2-CB 3.99Å; L101-L176 HydrophobicContact CD2-CD1 4.17Å
102I98.6Very high97.7Very high5 Ų561 Ų613%0.02630%0.298CS..SBendtrans-138.7165.5-168.567176.4000111L100 V106 R107 F110 A124L100-I102 HydrophobicContact CB-CD1 3.87Å; L100-I102 HydrophobicContact CB-CG1 3.97Å; L100-I102 HydrophobicContact CB-CG2 4.28Å; L100-I102 HydrophobicContact CD1-CD1 3.9Å; L100-I102 HydrophobicContact CD2-CD1 4.38Å; L100-I102 HydrophobicContact CD2-CG2 4.47Å; L100-I102 HydrophobicContact CG-CD1 4.28Å; I102-V106 HydrophobicContact CB-CG1 3.83Å; I102-V106 HydrophobicContact CD1-CG1 3.85Å; I102-V106 HydrophobicContact CG1-CG1 4.2Å; I102-V106 HydrophobicContact CG2-CG1 4.43Å; I102-R107 HydrophobicContact CD1-CB 4.21Å; I102-F110 HydrophobicContact CD1-CD2 4.04Å; I102-F110 HydrophobicContact CD1-CE2 4.31Å; I102-A124 HydrophobicContact CB-CB 4.07Å; I102-A124 HydrophobicContact CG2-CB 3.61Å
103H97.7Very high97.8Very high66 Ų6655.5 Ų55.531%0.30628%0.275SS..  trans-74.8147.8166.7-171.5-101.2000110.7Q58 G105 V106Q58-H103 HydrophobicContact CB-CB 4.22Å; Q58-H103 HydrophobicContact CG-CB 4.48Å; Q58-H103 PolarHBondContact O-ND1 3.48Å; H103-G105 PolarHBondContact ND1-N 2.94Å; H103-G105 VanDerWaalsContact ND1-N 3.15Å; H103-G105 PolarHBondContact O-N 2.97Å; H103-V106 WeakPolarHBondContact O-CG1 3.46Å; H103-V106 PolarHBondContact O-N 3.4Å
104D95.9Very high97.8Very high102 Ų10253.5 Ų53.555%0.54527%0.268SS..G310 helixtrans-64.6-27-177.4-77.1-34.5000113.5V106 R107D104-V106 PolarHBondContact O-N 3.17Å; D104-R107 WeakPolarHBondContact O-CB 3.15Å; D104-R107 PolarHBondContact O-N 3.4Å; D104-R107 VanDerWaalsContact O-N 3.11Å; D104-R107 IonicContact OD1-CZ 3.23Å; D104-R107 IonicContact OD1-NE 3.8Å; D104-R107 PolarHBondContact OD1-NE 3.41Å; D104-R107 IonicContact OD1-NH2 3.59Å; D104-R107 PolarHBondContact OD1-NH2 3.31Å
105G95.8Very high97.9Very high11 Ų1150.6 Ų50.611%0.11327%0.265CS..G310 helixtrans-64.6-21.317800000114.9Q58 K59 S60 H103Q58-G105 CarbonylContact O-C 3.4Å; Q58-G105 VanDerWaalsContact O-CA 3.25Å; Q58-G105 WeakPolarHBondContact O-CA 3.46Å; K59-G105 CarbonylContact C-O 3.6Å; S60-G105 PolarHBondContact N-O 2.8Å; H103-G105 PolarHBondContact ND1-N 2.94Å; H103-G105 VanDerWaalsContact ND1-N 3.15Å; H103-G105 PolarHBondContact O-N 2.97Å
106V97.1Very high97.9Very high1 Ų151 Ų511%0.00626%0.261CS..G310 helixtrans-97.8-5.4175.381.70000112.7S57 Q58 A84 I102 H103 D104 S108 E109 F110S57-V106 WeakPolarHBondContact O-CB 3.29Å; S57-V106 WeakPolarHBondContact O-CG1 3.41Å; Q58-V106 PolarHBondContact O-N 2.96Å; Q58-V106 VanDerWaalsContact O-N 3.16Å; A84-V106 HydrophobicContact CB-CG2 4.14Å; I102-V106 HydrophobicContact CB-CG1 3.83Å; I102-V106 HydrophobicContact CD1-CG1 3.85Å; I102-V106 HydrophobicContact CG1-CG1 4.2Å; I102-V106 HydrophobicContact CG2-CG1 4.43Å; H103-V106 WeakPolarHBondContact O-CG1 3.46Å; H103-V106 PolarHBondContact O-N 3.4Å; D104-V106 PolarHBondContact O-N 3.17Å; V106-S108 PolarHBondContact O-N 3.46Å; V106-S108 VanDerWaalsContact O-N 3.15Å; V106-E109 HydrophobicContact CG2-CB 4.33Å; V106-E109 HydrophobicContact CG2-CG 4.01Å; V106-E109 WeakPolarHBondContact O-CB 3.37Å; V106-E109 PolarHBondContact O-N 3.15Å; V106-F110 HydrophobicContact CG1-CE2 4.41Å
107R97.3Very high97.8Very high109 Ų10956 Ų5641%0.41129%0.288SS..G310 helixtrans-56.8-36.7-173-173.9176.4-68.3-79.2-0.9112.7I102 D104 E109 F110I102-R107 HydrophobicContact CD1-CB 4.21Å; D104-R107 WeakPolarHBondContact O-CB 3.15Å; D104-R107 PolarHBondContact O-N 3.4Å; D104-R107 VanDerWaalsContact O-N 3.11Å; D104-R107 IonicContact OD1-CZ 3.23Å; D104-R107 IonicContact OD1-NE 3.8Å; D104-R107 PolarHBondContact OD1-NE 3.41Å; D104-R107 IonicContact OD1-NH2 3.59Å; D104-R107 PolarHBondContact OD1-NH2 3.31Å; R107-E109 PolarHBondContact O-N 3.47Å; R107-F110 PolarHBondContact O-N 2.85Å
108S97.8Very high97.8Very high57 Ų5754.3 Ų54.340%0.39929%0.286SS..G310 helixtrans-62.6-22.5179.557.30000114.3S60 V106 F110 D111S60-S108 WeakPolarHBondContact CB-OG 3.33Å; V106-S108 PolarHBondContact O-N 3.46Å; V106-S108 VanDerWaalsContact O-N 3.15Å; S108-F110 PolarHBondContact O-N 2.66Å; S108-D111 PolarHBondContact O-N 2.75Å
109E97.9Very high97.8Very high30 Ų3056.1 Ų56.114%0.1430%0.296CS..G310 helixtrans-67.3-17.8172.7-67.3-76.6-174.400112.5R61 A84 C88 V106 R107R61-E109 VanDerWaalsContact CB-OE1 3.29Å; R61-E109 WeakPolarHBondContact CB-OE1 3.41Å; R61-E109 VanDerWaalsContact CG-OE1 3.28Å; R61-E109 WeakPolarHBondContact CG-OE1 3.41Å; R61-E109 IonicContact CZ-OE1 2.67Å; R61-E109 IonicContact CZ-OE2 3.18Å; R61-E109 PolarHBondContact N-OE1 2.94Å; R61-E109 IonicContact NE-OE1 3.77Å; R61-E109 PolarHBondContact NE-OE1 3.3Å; R61-E109 IonicContact NE-OE2 2.79Å; R61-E109 PolarHBondContact NE-OE2 2.94Å; R61-E109 IonicContact NH2-OE1 3.77Å; R61-E109 IonicContact NH2-OE2 2.8Å; R61-E109 PolarHBondContact NH2-OE2 3.15Å; A84-E109 HydrophobicContact CB-CB 3.78Å; A84-E109 HydrophobicContact CB-CG 4.07Å; C88-E109 PolarHBondContact SG-O 2.94Å; V106-E109 HydrophobicContact CG2-CB 4.33Å; V106-E109 HydrophobicContact CG2-CG 4.01Å; V106-E109 WeakPolarHBondContact O-CB 3.37Å; V106-E109 PolarHBondContact O-N 3.15Å; R107-E109 PolarHBondContact O-N 3.47Å
110F98.3Very high97.8Very high5 Ų553.7 Ų53.72%0.02229%0.286CS..G310 helixtrans-1076.3-178.6-62.4-87.2000113.5A84 C88 L91 L100 I102 V106 R107 S108 Q112 I113 V122 L153A84-F110 HydrophobicContact CB-CE2 3.93Å; A84-F110 HydrophobicContact CB-CZ 3.92Å; C88-F110 WeakPolarHBondContact SG-CD1 3.44Å; L91-F110 HydrophobicContact CD1-CD1 4.46Å; L91-F110 HydrophobicContact CD1-CE1 4.28Å; L100-F110 HydrophobicContact CD1-CB 3.82Å; L100-F110 HydrophobicContact CD1-CD2 4.46Å; L100-F110 HydrophobicContact CD1-CG 4.07Å; L100-F110 HydrophobicContact CD2-CD1 3.8Å; L100-F110 HydrophobicContact CD2-CD2 4.3Å; L100-F110 HydrophobicContact CD2-CE1 4.05Å; L100-F110 HydrophobicContact CD2-CG 3.95Å; L100-F110 HydrophobicContact CD2-CZ 4.39Å; I102-F110 HydrophobicContact CD1-CD2 4.04Å; I102-F110 HydrophobicContact CD1-CE2 4.31Å; V106-F110 HydrophobicContact CG1-CE2 4.41Å; R107-F110 PolarHBondContact O-N 2.85Å; S108-F110 PolarHBondContact O-N 2.66Å; F110-Q112 PolarHBondContact O-N 3.08Å; F110-I113 HydrophobicContact CD1-CG1 4.28Å; F110-I113 WeakPolarHBondContact O-CB 3.43Å; F110-I113 PolarHBondContact O-N 2.78Å; F110-V122 HydrophobicContact CE1-CG1 4.36Å; F110-V122 HydrophobicContact CZ-CG1 4.16Å; F110-L153 HydrophobicContact CZ-CD1 4.1Å
111D97.5Very high97.8Very high114 Ų11452.6 Ų52.661%0.6128%0.281SS*.THydrogen-bonded Turntrans-57.5-24.8-176.3-78.7-8.4000114S108S108-D111 PolarHBondContact O-N 2.75Å
112Q97Very high97.8Very high160 Ų16052.5 Ų52.575%0.74828%0.28SS*.THydrogen-bonded Turntrans-99.613.5-179.9-57.3-61.1-44.900113F110F110-Q112 PolarHBondContact O-N 3.08Å
113I98.3Very high97.8Very high17 Ų1752.2 Ų52.29%0.08728%0.279CS..SBendtrans-111.1128.8178.3-58.3-61.9000108.7C88 L91 K92 P98 F110 T115C88-I113 HydrophobicContact CB-CD1 3.92Å; C88-I113 HydrophobicContact CB-CG1 4.19Å; L91-I113 HydrophobicContact CB-CD1 4.5Å; L91-I113 HydrophobicContact CD1-CG2 4.05Å; K92-I113 HydrophobicContact CD-CD1 4.21Å; K92-I113 VanDerWaalsContact CE-CD1 3.48Å; K92-I113 HydrophobicContact CG-CD1 3.85Å; P98-I113 VanDerWaalsContact CD-CG2 3.49Å; P98-I113 HydrophobicContact CG-CG2 3.88Å; F110-I113 HydrophobicContact CD1-CG1 4.28Å; F110-I113 WeakPolarHBondContact O-CB 3.43Å; F110-I113 PolarHBondContact O-N 2.78Å; I113-T115 PolarHBondContact O-N 2.93Å
114D98.3Very high97.9Very high91 Ų9149.1 Ų49.149%0.48726%0.264SS..  trans-69.9121.5171.8-179.713.9000109.9R97 P98 S116R97-D114 VanDerWaalsContact CA-O 3.25Å; R97-D114 WeakPolarHBondContact CA-O 3.32Å; R97-D114 VanDerWaalsContact CB-O 3.22Å; R97-D114 WeakPolarHBondContact CB-O 3.35Å; R97-D114 WeakPolarHBondContact CD-OD2 3.37Å; R97-D114 HydrophobicContact CG-CB 4.21Å; R97-D114 WeakPolarHBondContact CG-O 3.44Å; P98-D114 WeakPolarHBondContact CD-O 3.16Å; D114-S116 VanDerWaalsContact OD1-CB 3.27Å; D114-S116 WeakPolarHBondContact OD1-CB 3.34Å; D114-S116 PolarHBondContact OD1-N 2.86Å; D114-S116 PolarHBondContact OD1-OG 2.95Å; D114-S116 PolarHBondContact OD2-OG 2.91Å
115T98.4Very high97.9Very high69 Ų6944.7 Ų44.742%0.42324%0.241SC..  trans-108.52.3178.3580000112.4P98 L100 I113P98-T115 HydrophobicContact CG-CG2 4.21Å; P98-T115 WeakPolarHBondContact O-CB 3.2Å; L100-T115 HydrophobicContact CD1-CG2 3.79Å; L100-T115 HydrophobicContact CG-CG2 4.1Å; I113-T115 PolarHBondContact O-N 2.93Å
116S97.8Very high98Very high57 Ų5744.2 Ų44.240%0.39924%0.235SC..SBendtrans-72.5145.8176.473.90000111.2R97 D114R97-S116 VanDerWaalsContact CD-O 3.23Å; R97-S116 WeakPolarHBondContact CD-O 3.39Å; R97-S116 PolarHBondContact NE-O 3.46Å; D114-S116 VanDerWaalsContact OD1-CB 3.27Å; D114-S116 WeakPolarHBondContact OD1-CB 3.34Å; D114-S116 PolarHBondContact OD1-N 2.86Å; D114-S116 PolarHBondContact OD1-OG 2.95Å; D114-S116 PolarHBondContact OD2-OG 2.91Å
117N97.1Very high97.8Very high129 Ų12945.4 Ų45.469%0.6925%0.248SC*.SBendtrans45.463.4179.8-54.9-60000112.1R97R97-N117 PolarHBondContact NE-O 3.11Å; R97-N117 VanDerWaalsContact NE-O 3.14Å; R97-N117 PolarHBondContact NH2-O 2.8Å
118P98.4Very high97.7Very high40 Ų4048.8 Ų48.826%0.2627%0.269SS..  trans-61.8138.5-167.126.1-35.4000111.6R97 V141R97-P118 CarbonylContact O-C 3.48Å; R97-P118 WeakPolarHBondContact O-CA 3.43Å; P118-V141 HydrophobicContact CB-CG1 4.19Å; P118-V141 HydrophobicContact CG-CG1 4.05Å; P118-V141 HydrophobicContact CG-CG2 4.17Å
119N98.5Very high97.7Very high39 Ų3947.3 Ų47.321%0.20926%0.259CS..SBendtrans-120.711.1176.169.50000113G95 L96 R97 L145G95-N119 PolarHBondContact O-ND2 2.9Å; L96-N119 VanDerWaalsContact CA-OD1 3.3Å; L96-N119 WeakPolarHBondContact CA-OD1 3.42Å; R97-N119 PolarHBondContact N-OD1 3.48Å; R97-N119 PolarHBondContact O-N 2.8Å; R97-N119 PolarHBondContact O-OD1 3.39Å; N119-L145 VanDerWaalsContact C-CD1 3.48Å; N119-L145 HydrophobicContact CB-CD2 4.23Å; N119-L145 WeakPolarHBondContact O-CD1 3.36Å
120C98.8Very high97.7Very high0 Ų046.9 Ų46.90%026%0.256CS..EExtended strand (participates in β ladder)trans-155.9172168.569.50000110L96 R97 P98 Y99 V149L96-C120 HydrophobicContact CD2-CB 4.32Å; R97-C120 PolarHBondContact O-N 3.16Å; P98-C120 CarbonylContact C-O 3.22Å; P98-C120 WeakPolarHBondContact CA-O 3.48Å; P98-C120 VanDerWaalsContact CA-SG 3.52Å; Y99-C120 PolarHBondContact N-O 2.89Å; C120-V149 CarbonylContact C-O 3.59Å; C120-V149 WeakPolarHBondContact CA-O 3.39Å; C120-V149 HydrophobicContact CB-CB 3.78Å; C120-V149 HydrophobicContact CB-CG1 4.13Å; C120-V149 WeakPolarHBondContact CB-O 3.33Å
121V98.9Very high97.7Very high0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-115.3134.6167.6171.40000109.1Y99 A138 V141 L142 V149 L150 M151Y99-V121 HydrophobicContact CD1-CG2 4.4Å; Y99-V121 WeakPolarHBondContact O-CA 3.41Å; V121-A138 HydrophobicContact CG1-CB 4.09Å; V121-A138 HydrophobicContact CG2-CB 4.19Å; V121-V141 HydrophobicContact CG2-CB 4.39Å; V121-V141 HydrophobicContact CG2-CG1 4.18Å; V121-L142 HydrophobicContact CB-CD1 4.27Å; V121-L142 HydrophobicContact CB-CD2 4.12Å; V121-L142 HydrophobicContact CB-CG 4.2Å; V121-L142 HydrophobicContact CG2-CD1 3.99Å; V121-L142 HydrophobicContact CG2-CD2 3.87Å; V121-L142 HydrophobicContact CG2-CG 3.58Å; V121-V149 PolarHBondContact N-O 3.46Å; V121-L150 HydrophobicContact CB-CD1 4Å; V121-L150 HydrophobicContact CG1-CD1 3.78Å; V121-M151 PolarHBondContact O-N 2.98Å
122V98.9Very high97.8Very high0 Ų052.2 Ų52.20%028%0.276CS..EExtended strand (participates in β ladder)trans-106.9122.7163.2172.30000107.9L91 P98 Y99 L100 L101 F110 M151 L153L91-V122 HydrophobicContact CD1-CG2 4.15Å; L91-V122 HydrophobicContact CD2-CG2 4.18Å; P98-V122 HydrophobicContact CB-CB 4.07Å; P98-V122 HydrophobicContact CB-CG2 3.56Å; P98-V122 HydrophobicContact CG-CG2 4.34Å; Y99-V122 PolarHBondContact O-N 3.33Å; L100-V122 HydrophobicContact CD2-CB 4.07Å; L100-V122 HydrophobicContact CD2-CG1 4.42Å; L101-V122 PolarHBondContact N-O 3.42Å; F110-V122 HydrophobicContact CE1-CG1 4.36Å; F110-V122 HydrophobicContact CZ-CG1 4.16Å; V122-M151 CarbonylContact C-O 3.39Å; V122-M151 WeakPolarHBondContact CA-O 3.22Å; V122-M151 HydrophobicContact CG2-CB 4.13Å; V122-M151 HydrophobicContact CG2-SD 4.23Å; V122-L153 HydrophobicContact CG1-CD1 4.43Å; V122-L153 HydrophobicContact CG1-CD2 4.17Å; V122-L153 HydrophobicContact CG1-CG 4.13Å
123I98.9Very high97.9Very high0 Ų051 Ų510%027%0.27CS..EExtended strand (participates in β ladder)trans-109.2130.6174.6-168.5179.2000109.6L101 F130 L150 M151 S152 L153 V169 M173 L176L101-I123 HydrophobicContact CB-CG1 4.38Å; L101-I123 HydrophobicContact CD2-CB 4.47Å; L101-I123 HydrophobicContact CD2-CD1 3.84Å; L101-I123 HydrophobicContact CD2-CG1 3.8Å; L101-I123 HydrophobicContact CG-CG1 4.11Å; L101-I123 WeakPolarHBondContact O-CA 3.46Å; I123-F130 HydrophobicContact CD1-CE1 3.84Å; I123-F130 HydrophobicContact CD1-CZ 4.4Å; I123-F130 HydrophobicContact CG1-CE1 3.89Å; I123-F130 HydrophobicContact CG1-CZ 4.34Å; I123-L150 HydrophobicContact CB-CD1 4.32Å; I123-L150 HydrophobicContact CG2-CD1 3.84Å; I123-M151 PolarHBondContact N-O 3.15Å; I123-S152 CarbonylContact O-C 3.53Å; I123-S152 WeakPolarHBondContact O-CA 3.24Å; I123-L153 PolarHBondContact O-N 3.23Å; I123-V169 HydrophobicContact CB-CG2 4.46Å; I123-V169 HydrophobicContact CD1-CG2 4.26Å; I123-V169 HydrophobicContact CG1-CG2 3.9Å; I123-V169 HydrophobicContact CG2-CG2 4.13Å; I123-M173 HydrophobicContact CG2-CB 4.33Å; I123-L176 HydrophobicContact CD1-CD1 4.13Å
124A98.4Very high97.9Very high0 Ų052.5 Ų52.50%028%0.278CS..  trans-123.9178.7174.800000109.7L101 I102 A126 F130 L153 V169L101-A124 PolarHBondContact O-N 3.31Å; I102-A124 HydrophobicContact CB-CB 4.07Å; I102-A124 HydrophobicContact CG2-CB 3.61Å; A124-A126 PolarHBondContact O-N 3.43Å; A124-F130 WeakPolarHBondContact O-CZ 3.21Å; A124-L153 HydrophobicContact CB-CB 4.2Å; A124-L153 HydrophobicContact CB-CD1 3.8Å; A124-L153 HydrophobicContact CB-CG 4.12Å; A124-V169 WeakPolarHBondContact O-CG2 3.43Å
125D96.7Very high97.9Very high10 Ų1049.5 Ų49.55%0.05326%0.262CS..  trans-64.2104.1165.1-176.72.4000109.2S57 Q58 G127 Y159S57-D125 PolarHBondContact OG-N 3.46Å; Q58-D125 HydrophobicContact CG-CB 3.91Å; Q58-D125 WeakPolarHBondContact CG-O 3.21Å; Q58-D125 WeakPolarHBondContact CG-OD2 3.4Å; Q58-D125 PolarHBondContact NE2-OD1 3.41Å; Q58-D125 PolarHBondContact NE2-OD2 3Å; D125-G127 PolarHBondContact OD1-N 3.38Å; D125-Y159 VanDerWaalsContact OD2-CE1 3.22Å; D125-Y159 WeakPolarHBondContact OD2-CE1 3.27Å
126A97.1Very high97.9Very high0 Ų048.1 Ų48.10%025%0.251CS..  trans-101.7-5.1-172.100000113A124 E128 S129 F130A124-A126 PolarHBondContact O-N 3.43Å; A126-E128 PolarHBondContact O-N 2.76Å; A126-S129 WeakPolarHBondContact O-CA 3.46Å; A126-S129 WeakPolarHBondContact O-CB 3.31Å; A126-S129 PolarHBondContact O-N 2.77Å; A126-F130 HydrophobicContact CB-CD1 3.75Å; A126-F130 HydrophobicContact CB-CD2 3.89Å; A126-F130 HydrophobicContact CB-CE1 3.6Å; A126-F130 HydrophobicContact CB-CE2 3.78Å; A126-F130 HydrophobicContact CB-CG 3.89Å; A126-F130 HydrophobicContact CB-CZ 3.65Å
127G94.2Very high98Very high27 Ų2747.8 Ų47.828%0.27825%0.245SC..G310 helixtrans48.1-125.4-177.300000112.8D125 S129 F130D125-G127 PolarHBondContact OD1-N 3.38Å; G127-S129 PolarHBondContact O-N 2.95Å; G127-S129 VanDerWaalsContact O-N 3.16Å; G127-F130 WeakPolarHBondContact O-CB 3.46Å; G127-F130 WeakPolarHBondContact O-CD2 3.33Å; G127-F130 PolarHBondContact O-N 2.99Å
128E94.7Very high98.1Very high179 Ų17941.7 Ų41.784%0.83621%0.212SC*.G310 helixtrans-61.7-20.4177.5-61.9-59.1140.900113.9A126 F130A126-E128 PolarHBondContact O-N 2.76Å; E128-F130 PolarHBondContact O-N 2.84Å
129S97.6Very high98.1Very high27 Ų2742.8 Ų42.819%0.18921%0.213CC..G310 helixtrans-71.1-7.7174.4-56.30000112.7A126 G127 S131 N134A126-S129 WeakPolarHBondContact O-CA 3.46Å; A126-S129 WeakPolarHBondContact O-CB 3.31Å; A126-S129 PolarHBondContact O-N 2.77Å; G127-S129 PolarHBondContact O-N 2.95Å; G127-S129 VanDerWaalsContact O-N 3.16Å; S129-S131 PolarHBondContact O-N 2.65Å; S129-N134 WeakPolarHBondContact O-CB 3.36Å; S129-N134 PolarHBondContact O-ND2 2.85Å
130F98.4Very high98.1Very high20 Ų2045.2 Ų45.29%0.08822%0.223CC..  trans-7346163.4-69.1-54.2000113.2L101 I123 A124 A126 G127 E128 M135 Y172L101-F130 HydrophobicContact CD1-CD1 4.43Å; L101-F130 HydrophobicContact CD2-CD1 4.37Å; L101-F130 HydrophobicContact CD2-CE1 4.25Å; L101-F130 HydrophobicContact CG-CD1 4.34Å; L101-F130 HydrophobicContact CG-CE1 4.2Å; I123-F130 HydrophobicContact CD1-CE1 3.84Å; I123-F130 HydrophobicContact CD1-CZ 4.4Å; I123-F130 HydrophobicContact CG1-CE1 3.89Å; I123-F130 HydrophobicContact CG1-CZ 4.34Å; A124-F130 WeakPolarHBondContact O-CZ 3.21Å; A126-F130 HydrophobicContact CB-CD1 3.75Å; A126-F130 HydrophobicContact CB-CD2 3.89Å; A126-F130 HydrophobicContact CB-CE1 3.6Å; A126-F130 HydrophobicContact CB-CE2 3.78Å; A126-F130 HydrophobicContact CB-CG 3.89Å; A126-F130 HydrophobicContact CB-CZ 3.65Å; G127-F130 WeakPolarHBondContact O-CB 3.46Å; G127-F130 WeakPolarHBondContact O-CD2 3.33Å; G127-F130 PolarHBondContact O-N 2.99Å; E128-F130 PolarHBondContact O-N 2.84Å; F130-M135 HydrophobicContact CD1-SD 3.89Å; F130-M135 HydrophobicContact CE1-SD 4.44Å; F130-Y172 HydrophobicContact CB-CD1 3.85Å; F130-Y172 HydrophobicContact CB-CE1 3.4Å; F130-Y172 HydrophobicContact CB-CE2 4.32Å; F130-Y172 HydrophobicContact CB-CG 4.46Å; F130-Y172 AromaticContact CD1-CD1 3.65Å; F130-Y172 HydrophobicContact CD1-CD1 3.65Å; F130-Y172 HydrophobicContact CD1-CD2 4.12Å; F130-Y172 HydrophobicContact CD1-CE1 4.11Å; F130-Y172 AromaticContact CD1-CG 3.65Å; F130-Y172 HydrophobicContact CD1-CG 3.65Å; F130-Y172 HydrophobicContact CD2-CD1 4.17Å; F130-Y172 AromaticContact CD2-CD2 3.55Å; F130-Y172 HydrophobicContact CD2-CD2 3.55Å; F130-Y172 HydrophobicContact CD2-CE1 4.02Å; F130-Y172 AromaticContact CD2-CE2 3.37Å; F130-Y172 HydrophobicContact CD2-CE2 3.37Å; F130-Y172 AromaticContact CD2-CG 3.94Å; F130-Y172 HydrophobicContact CD2-CG 3.94Å; F130-Y172 AromaticContact CD2-CZ 3.6Å; F130-Y172 HydrophobicContact CE1-CD1 4.17Å; F130-Y172 HydrophobicContact CE1-CD2 4.03Å; F130-Y172 AromaticContact CE1-CG 3.68Å; F130-Y172 HydrophobicContact CE1-CG 3.68Å; F130-Y172 AromaticContact CE2-CD2 3.4Å; F130-Y172 HydrophobicContact CE2-CD2 3.4Å; F130-Y172 VanDerWaalsContact CE2-CD2 3.4Å; F130-Y172 AromaticContact CE2-CE2 3.63Å; F130-Y172 HydrophobicContact CE2-CE2 3.63Å; F130-Y172 AromaticContact CE2-CG 3.94Å; F130-Y172 HydrophobicContact CE2-CG 3.94Å; F130-Y172 AromaticContact CG-CD1 3.65Å; F130-Y172 HydrophobicContact CG-CD1 3.65Å; F130-Y172 AromaticContact CG-CD2 3.9Å; F130-Y172 HydrophobicContact CG-CD2 3.9Å; F130-Y172 AromaticContact CG-CE1 3.61Å; F130-Y172 HydrophobicContact CG-CE1 3.61Å; F130-Y172 AromaticContact CG-CE2 3.86Å; F130-Y172 HydrophobicContact CG-CE2 3.86Å; F130-Y172 AromaticContact CG-CG 3.78Å; F130-Y172 HydrophobicContact CG-CG 3.78Å; F130-Y172 AromaticContact CG-CZ 3.7Å; F130-Y172 AromaticContact CZ-CD2 3.64Å; F130-Y172 HydrophobicContact CZ-CD2 3.64Å; F130-Y172 HydrophobicContact CZ-CE2 4.32Å; F130-Y172 AromaticContact CZ-CG 3.79Å; F130-Y172 HydrophobicContact CZ-CG 3.79Å
131S98.5Very high98.1Very high43 Ų4346.4 Ų46.430%0.30123%0.231SC..  trans-68.6154.7170.8730000110.6S129 Q133 N134 M135S129-S131 PolarHBondContact O-N 2.65Å; S131-Q133 PolarHBondContact O-N 2.85Å; S131-N134 PolarHBondContact O-N 3.09Å; S131-N134 WeakPolarHBondContact OG-CB 3.31Å; S131-N134 VanDerWaalsContact OG-CG 3.29Å; S131-N134 PolarHBondContact OG-N 3.17Å; S131-N134 VanDerWaalsContact OG-N 3.15Å; S131-N134 PolarHBondContact OG-ND2 3.19Å; S131-M135 WeakPolarHBondContact O-CB 3.48Å; S131-M135 WeakPolarHBondContact O-CG 3.38Å; S131-M135 PolarHBondContact O-N 3.01Å
132Y98.6Very high98.1Very high189 Ų18946.5 Ų46.574%0.74123%0.231SC*.Hα-helixtrans-52.3-42.7172.6175.5-91.8000111.4M135 N136Y132-M135 PolarHBondContact O-N 2.88Å; Y132-N136 HydrophobicContact CD1-CB 4.46Å; Y132-N136 HydrophobicContact CE1-CB 4.1Å; Y132-N136 WeakPolarHBondContact O-CB 3.36Å; Y132-N136 PolarHBondContact O-N 2.88Å
133Q98.7Very high98.1Very high134 Ų13451.6 Ų51.663%0.62626%0.256SS*.Hα-helixtrans-61-47.9-179.3-175.8176.61.300111.8S131 N136 N137S131-Q133 PolarHBondContact O-N 2.85Å; Q133-N136 PolarHBondContact O-N 2.9Å; Q133-N137 WeakPolarHBondContact O-CB 3.35Å; Q133-N137 PolarHBondContact O-N 2.75Å; Q133-N137 PolarHBondContact O-ND2 2.97Å; Q133-N137 PolarHBondContact O-OD1 3.06Å
134N98.8Very high98.1Very high49 Ų4959.6 Ų59.626%0.26229%0.294SS..Hα-helixtrans-68.4-41.1-179.3-68.2-14.6000111.9L101 S129 S131 N137 A138L101-N134 HydrophobicContact CD1-CB 3.66Å; S129-N134 WeakPolarHBondContact O-CB 3.36Å; S129-N134 PolarHBondContact O-ND2 2.85Å; S131-N134 PolarHBondContact O-N 3.09Å; S131-N134 WeakPolarHBondContact OG-CB 3.31Å; S131-N134 VanDerWaalsContact OG-CG 3.29Å; S131-N134 PolarHBondContact OG-N 3.17Å; S131-N134 VanDerWaalsContact OG-N 3.15Å; S131-N134 PolarHBondContact OG-ND2 3.19Å; N134-N137 PolarHBondContact O-N 2.78Å; N134-A138 PolarHBondContact O-N 2.97Å
135M98.9Very high98Very high28 Ų2861.6 Ų61.614%0.13830%0.304CS..Hα-helixtrans-60.3-45.1173.3-74.5-66.7-63.900111.7L101 F130 S131 Y132 A138 F139 Y172 A175 L176L101-M135 HydrophobicContact CD2-SD 3.54Å; L101-M135 VanDerWaalsContact CD2-SD 3.54Å; F130-M135 HydrophobicContact CD1-SD 3.89Å; F130-M135 HydrophobicContact CE1-SD 4.44Å; S131-M135 WeakPolarHBondContact O-CB 3.48Å; S131-M135 WeakPolarHBondContact O-CG 3.38Å; S131-M135 PolarHBondContact O-N 3.01Å; Y132-M135 PolarHBondContact O-N 2.88Å; M135-A138 PolarHBondContact O-N 2.91Å; M135-F139 WeakPolarHBondContact O-CB 3.39Å; M135-F139 PolarHBondContact O-N 2.73Å; M135-Y172 HydrophobicContact CE-CD1 4.05Å; M135-Y172 HydrophobicContact CG-CD1 4.45Å; M135-Y172 HydrophobicContact SD-CD1 3.81Å; M135-Y172 HydrophobicContact SD-CG 4.43Å; M135-A175 HydrophobicContact CE-CB 4.11Å; M135-L176 HydrophobicContact CE-CD2 3.99Å; M135-L176 HydrophobicContact CE-CG 3.92Å
136N98.9Very high98Very high39 Ų3969.7 Ų69.721%0.20934%0.342CS..Hα-helixtrans-69-35.9-179.4-171.179.9000111.9Y132 Q133 F139 Q140Y132-N136 HydrophobicContact CD1-CB 4.46Å; Y132-N136 HydrophobicContact CE1-CB 4.1Å; Y132-N136 WeakPolarHBondContact O-CB 3.36Å; Y132-N136 PolarHBondContact O-N 2.88Å; Q133-N136 PolarHBondContact O-N 2.9Å; N136-F139 WeakPolarHBondContact O-CB 3.38Å; N136-F139 PolarHBondContact O-N 2.85Å; N136-Q140 PolarHBondContact ND2-NE2 3.34Å; N136-Q140 VanDerWaalsContact ND2-NE2 3.15Å; N136-Q140 WeakPolarHBondContact O-CB 3.4Å; N136-Q140 VanDerWaalsContact O-CG 3.31Å; N136-Q140 WeakPolarHBondContact O-CG 2.98Å; N136-Q140 PolarHBondContact O-N 3.23Å
137N98.9Very high98Very high51 Ų5175.7 Ų75.727%0.27337%0.374SS..Hα-helixtrans-64-46.4173.2-70.5-18.7000111.5Y99 Q133 N134 F139 Q140 V141Y99-N137 HydrophobicContact CE2-CB 4.1Å; Y99-N137 WeakPolarHBondContact OH-CB 3.28Å; Q133-N137 WeakPolarHBondContact O-CB 3.35Å; Q133-N137 PolarHBondContact O-N 2.75Å; Q133-N137 PolarHBondContact O-ND2 2.97Å; Q133-N137 PolarHBondContact O-OD1 3.06Å; N134-N137 PolarHBondContact O-N 2.78Å; N137-F139 VanDerWaalsContact C-N 3.31Å; N137-F139 PolarHBondContact O-N 2.8Å; N137-Q140 PolarHBondContact O-N 3.19Å; N137-V141 WeakPolarHBondContact O-CG2 3.09Å; N137-V141 PolarHBondContact O-N 2.83Å
138A98.9Very high98.1Very high0 Ų076.4 Ų76.40%037%0.374CS..Hα-helixtrans-59.2-43.617500000111.7Y99 L101 V121 N134 M135 V141 L142 L176Y99-A138 HydrophobicContact CD1-CB 3.83Å; Y99-A138 HydrophobicContact CE1-CB 3.72Å; L101-A138 HydrophobicContact CB-CB 4.49Å; L101-A138 HydrophobicContact CD2-CB 3.99Å; V121-A138 HydrophobicContact CG1-CB 4.09Å; V121-A138 HydrophobicContact CG2-CB 4.19Å; N134-A138 PolarHBondContact O-N 2.97Å; M135-A138 PolarHBondContact O-N 2.91Å; A138-V141 PolarHBondContact O-N 3.44Å; A138-L142 WeakPolarHBondContact O-CG 3.5Å; A138-L142 PolarHBondContact O-N 3.25Å; A138-L142 VanDerWaalsContact O-N 3.08Å; A138-L176 HydrophobicContact CB-CD1 4.26Å
139F98.9Very high98.3Very high63 Ų6369.3 Ų69.328%0.27634%0.343SS..Hα-helixtrans-58.7-48.9173.8165.1-105.8000112.1M135 N136 N137 V141 L142 M143 L176 A179 C180M135-F139 WeakPolarHBondContact O-CB 3.39Å; M135-F139 PolarHBondContact O-N 2.73Å; N136-F139 WeakPolarHBondContact O-CB 3.38Å; N136-F139 PolarHBondContact O-N 2.85Å; N137-F139 VanDerWaalsContact C-N 3.31Å; N137-F139 PolarHBondContact O-N 2.8Å; F139-V141 PolarHBondContact O-N 3.42Å; F139-L142 PolarHBondContact O-N 2.94Å; F139-M143 HydrophobicContact CD2-CG 3.86Å; F139-M143 HydrophobicContact CD2-SD 4.45Å; F139-M143 HydrophobicContact CE1-CG 4.1Å; F139-M143 HydrophobicContact CE2-CG 3.36Å; F139-M143 HydrophobicContact CE2-SD 3.69Å; F139-M143 HydrophobicContact CG-CG 4.41Å; F139-M143 HydrophobicContact CZ-CG 3.5Å; F139-M143 HydrophobicContact CZ-SD 4.13Å; F139-M143 WeakPolarHBondContact O-CG 3.46Å; F139-M143 PolarHBondContact O-N 3.16Å; F139-L176 HydrophobicContact CB-CD2 4.02Å; F139-A179 HydrophobicContact CD2-CB 3.72Å; F139-A179 HydrophobicContact CE2-CB 3.78Å; F139-C180 VanDerWaalsContact CD2-SG 3.54Å
140Q98.8Very high98.4Very high90 Ų9068.1 Ų68.142%0.42133%0.334SS..Hα-helixtrans-61.2-44.1179.3-76.5174.9-15.300112.1N136 N137 L142 M143 E144N136-Q140 PolarHBondContact ND2-NE2 3.34Å; N136-Q140 VanDerWaalsContact ND2-NE2 3.15Å; N136-Q140 WeakPolarHBondContact O-CB 3.4Å; N136-Q140 VanDerWaalsContact O-CG 3.31Å; N136-Q140 WeakPolarHBondContact O-CG 2.98Å; N136-Q140 PolarHBondContact O-N 3.23Å; N137-Q140 PolarHBondContact O-N 3.19Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 3.22Å; Q140-M143 PolarHBondContact O-N 2.9Å; Q140-E144 WeakPolarHBondContact O-CG 3.34Å; Q140-E144 PolarHBondContact O-N 3.26Å; Q140-E144 VanDerWaalsContact O-N 3.14Å
141V98.8Very high98.4Very high26 Ų2667.2 Ų67.216%0.15833%0.33CS..Hα-helixtrans-55-48.3173.4169.60000110.5Y99 P118 V121 N137 A138 F139 M143 E144 L145Y99-V141 HydrophobicContact CD2-CG2 4.13Å; Y99-V141 HydrophobicContact CG-CG2 4.26Å; P118-V141 HydrophobicContact CB-CG1 4.19Å; P118-V141 HydrophobicContact CG-CG1 4.05Å; P118-V141 HydrophobicContact CG-CG2 4.17Å; V121-V141 HydrophobicContact CG2-CB 4.39Å; V121-V141 HydrophobicContact CG2-CG1 4.18Å; N137-V141 WeakPolarHBondContact O-CG2 3.09Å; N137-V141 PolarHBondContact O-N 2.83Å; A138-V141 PolarHBondContact O-N 3.44Å; F139-V141 PolarHBondContact O-N 3.42Å; V141-M143 VanDerWaalsContact C-N 3.35Å; V141-M143 PolarHBondContact O-N 2.76Å; V141-E144 PolarHBondContact O-N 2.87Å; V141-L145 HydrophobicContact CG1-CD1 4.32Å; V141-L145 VanDerWaalsContact O-CG 3.28Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å
142L98.8Very high98.4Very high2 Ų265.1 Ų65.11%0.0132%0.316CS..Hα-helixtrans-63.2-39.1179.1-70.8166.7000112.8V121 A138 F139 Q140 E144 L145 P148 V149 L150 L176 C180 I182V121-L142 HydrophobicContact CB-CD1 4.27Å; V121-L142 HydrophobicContact CB-CD2 4.12Å; V121-L142 HydrophobicContact CB-CG 4.2Å; V121-L142 HydrophobicContact CG2-CD1 3.99Å; V121-L142 HydrophobicContact CG2-CD2 3.87Å; V121-L142 HydrophobicContact CG2-CG 3.58Å; A138-L142 WeakPolarHBondContact O-CG 3.5Å; A138-L142 PolarHBondContact O-N 3.25Å; A138-L142 VanDerWaalsContact O-N 3.08Å; F139-L142 PolarHBondContact O-N 2.94Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 3.22Å; L142-E144 VanDerWaalsContact C-N 3.31Å; L142-E144 PolarHBondContact O-N 2.9Å; L142-L145 PolarHBondContact O-N 3.25Å; L142-P148 HydrophobicContact CB-CB 4.47Å; L142-P148 HydrophobicContact CD2-CB 4.08Å; L142-P148 WeakPolarHBondContact O-CB 3.37Å; L142-V149 WeakPolarHBondContact CD2-O 3.46Å; L142-L150 HydrophobicContact CD1-CB 4.5Å; L142-L150 HydrophobicContact CD1-CD1 4.47Å; L142-L150 HydrophobicContact CD2-CB 4.42Å; L142-L176 HydrophobicContact CD1-CD1 4.47Å; L142-C180 HydrophobicContact CB-CB 4.49Å; L142-C180 VanDerWaalsContact CB-SG 3.58Å; L142-I182 HydrophobicContact CD1-CD1 4.3Å; L142-I182 HydrophobicContact CD2-CD1 4.12Å
143M98.6Very high98.3Very high106 Ų10656.2 Ų56.252%0.52228%0.281SS..Hα-helixtrans-71.6-23.2-177.5-69.6-57.1-59.800114F139 Q140 V141 C180F139-M143 HydrophobicContact CD2-CG 3.86Å; F139-M143 HydrophobicContact CD2-SD 4.45Å; F139-M143 HydrophobicContact CE1-CG 4.1Å; F139-M143 HydrophobicContact CE2-CG 3.36Å; F139-M143 HydrophobicContact CE2-SD 3.69Å; F139-M143 HydrophobicContact CG-CG 4.41Å; F139-M143 HydrophobicContact CZ-CG 3.5Å; F139-M143 HydrophobicContact CZ-SD 4.13Å; F139-M143 WeakPolarHBondContact O-CG 3.46Å; F139-M143 PolarHBondContact O-N 3.16Å; Q140-M143 PolarHBondContact O-N 2.9Å; V141-M143 VanDerWaalsContact C-N 3.35Å; V141-M143 PolarHBondContact O-N 2.76Å; M143-C180 HydrophobicContact SD-CB 4.33Å
144E98.2Very high98.1Very high168 Ų16849.9 Ų49.979%0.78525%0.251SS*.Hα-helixtrans-85.1-11.9177.9-70.6-179.8178.600113.2Q140 V141 L142Q140-E144 WeakPolarHBondContact O-CG 3.34Å; Q140-E144 PolarHBondContact O-N 3.26Å; Q140-E144 VanDerWaalsContact O-N 3.14Å; V141-E144 PolarHBondContact O-N 2.87Å; L142-E144 VanDerWaalsContact C-N 3.31Å; L142-E144 PolarHBondContact O-N 2.9Å
145L98Very high97.9Very high43 Ų4352 Ų5223%0.22526%0.258CS..  trans-86135.5-178.7-65.4169.1000111.5N119 V141 L142 N147 P148N119-L145 VanDerWaalsContact C-CD1 3.48Å; N119-L145 HydrophobicContact CB-CD2 4.23Å; N119-L145 WeakPolarHBondContact O-CD1 3.36Å; V141-L145 HydrophobicContact CG1-CD1 4.32Å; V141-L145 VanDerWaalsContact O-CG 3.28Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; L142-L145 PolarHBondContact O-N 3.25Å; L145-N147 VanDerWaalsContact C-N 3.3Å; L145-N147 PolarHBondContact O-N 3.02Å; L145-P148 HydrophobicContact CB-CB 4.34Å
146E95.8Very high97.6Very high180 Ų18051.2 Ų51.284%0.84126%0.257SS*.SBendtrans-65-36.8171.4-173.3178.7-170.500111.7P148E146-P148 WeakPolarHBondContact O-CD 3.06Å
147N96.1Very high97.2Very high125 Ų12558.5 Ų58.567%0.66828%0.282SS*.SBendtrans-124.878178.9-64.5-73.9000109.7L145 V149L145-N147 VanDerWaalsContact C-N 3.3Å; L145-N147 PolarHBondContact O-N 3.02Å; N147-V149 PolarHBondContact O-N 2.84Å
148P98Very high96.8Very high43 Ų4359.4 Ų59.428%0.27928%0.282SS..  trans-68.6126.1-174.827.1-34.9000111.9L142 L145 E146 I182L142-P148 HydrophobicContact CB-CB 4.47Å; L142-P148 HydrophobicContact CD2-CB 4.08Å; L142-P148 WeakPolarHBondContact O-CB 3.37Å; L145-P148 HydrophobicContact CB-CB 4.34Å; E146-P148 WeakPolarHBondContact O-CD 3.06Å; P148-I182 HydrophobicContact CB-CD1 4.33Å; P148-I182 HydrophobicContact CB-CG2 4.41Å; P148-I182 HydrophobicContact CG-CG2 3.75Å
149V98.6Very high96.3Very high30 Ų3060.9 Ų60.918%0.18229%0.288CS..  trans-115121.6174.7178.40000109.4L96 C120 V121 L142 N147L96-V149 HydrophobicContact CD1-CG1 4.23Å; C120-V149 CarbonylContact C-O 3.59Å; C120-V149 WeakPolarHBondContact CA-O 3.39Å; C120-V149 HydrophobicContact CB-CB 3.78Å; C120-V149 HydrophobicContact CB-CG1 4.13Å; C120-V149 WeakPolarHBondContact CB-O 3.33Å; V121-V149 PolarHBondContact N-O 3.46Å; L142-V149 WeakPolarHBondContact CD2-O 3.46Å; N147-V149 PolarHBondContact O-N 2.84Å
150L98.8Very high95.5Very high2 Ų262.1 Ų62.11%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-110.9119.3170.4174.161.6000108.9V121 I123 L142 L176 E177 I182 A184 E185V121-L150 HydrophobicContact CB-CD1 4Å; V121-L150 HydrophobicContact CG1-CD1 3.78Å; I123-L150 HydrophobicContact CB-CD1 4.32Å; I123-L150 HydrophobicContact CG2-CD1 3.84Å; L142-L150 HydrophobicContact CD1-CB 4.5Å; L142-L150 HydrophobicContact CD1-CD1 4.47Å; L142-L150 HydrophobicContact CD2-CB 4.42Å; L150-L176 HydrophobicContact CD1-CD1 4.07Å; L150-L176 HydrophobicContact CD2-CB 3.77Å; L150-E177 HydrophobicContact CD2-CG 4.33Å; L150-I182 HydrophobicContact CB-CD1 3.63Å; L150-I182 HydrophobicContact CD2-CD1 4.46Å; L150-A184 HydrophobicContact CB-CB 4.47Å; L150-A184 HydrophobicContact CD2-CB 3.91Å; L150-A184 HydrophobicContact CG-CB 3.89Å; L150-A184 CarbonylContact O-C 3.52Å; L150-A184 VanDerWaalsContact O-CA 3.25Å; L150-A184 WeakPolarHBondContact O-CA 3.49Å; L150-E185 PolarHBondContact O-N 3.09Å
151M98.5Very high94.9Very high0 Ų059.5 Ų59.50%028%0.28CS..EExtended strand (participates in β ladder)trans-109.8128175.6-175.4-178.3-65.700109.5A87 I90 L91 V121 V122 I123 E185 V187A87-M151 HydrophobicContact CB-SD 3.51Å; A87-M151 VanDerWaalsContact CB-SD 3.51Å; I90-M151 HydrophobicContact CB-CE 3.91Å; I90-M151 HydrophobicContact CD1-CE 4.46Å; I90-M151 HydrophobicContact CG2-CE 3.48Å; I90-M151 VanDerWaalsContact CG2-CE 3.48Å; L91-M151 HydrophobicContact CD2-CE 4.29Å; V121-M151 PolarHBondContact O-N 2.98Å; V122-M151 CarbonylContact C-O 3.39Å; V122-M151 WeakPolarHBondContact CA-O 3.22Å; V122-M151 HydrophobicContact CG2-CB 4.13Å; V122-M151 HydrophobicContact CG2-SD 4.23Å; I123-M151 PolarHBondContact N-O 3.15Å; M151-E185 CarbonylContact C-O 3.59Å; M151-E185 WeakPolarHBondContact CA-O 3.37Å; M151-V187 HydrophobicContact CG-CG2 3.66Å; M151-V187 HydrophobicContact SD-CG2 3.76Å
152S98.5Very high94Very high0 Ų062.7 Ų62.70%030%0.3CS..EExtended strand (participates in β ladder)trans-115.2126.3-177.5-170.30000111.2I123 G154 M173 E185 V186 V187I123-S152 CarbonylContact O-C 3.53Å; I123-S152 WeakPolarHBondContact O-CA 3.24Å; S152-G154 WeakPolarHBondContact CB-O 3.46Å; S152-G154 PolarHBondContact O-N 3.2Å; S152-G154 PolarHBondContact OG-O 3.36Å; S152-M173 VanDerWaalsContact CB-SD 3.52Å; S152-M173 PolarHBondContact OG-SD 3Å; S152-M173 VanDerWaalsContact OG-SD 3.39Å; S152-E185 PolarHBondContact N-O 3.41Å; S152-V186 WeakPolarHBondContact O-CA 3.29Å; S152-V187 PolarHBondContact O-N 3.24Å
153L97.8Very high93.1Very high1 Ų166.7 Ų66.71%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-79.973.8176.5-55-166.2000110.2P83 A84 A87 F110 V122 I123 A124 V187P83-L153 HydrophobicContact CB-CB 3.93Å; P83-L153 HydrophobicContact CB-CD2 4.18Å; P83-L153 HydrophobicContact CB-CG 4.44Å; P83-L153 HydrophobicContact CG-CB 3.97Å; P83-L153 HydrophobicContact CG-CD1 4.47Å; A84-L153 HydrophobicContact CB-CD1 4.13Å; A87-L153 HydrophobicContact CB-CD2 3.51Å; F110-L153 HydrophobicContact CZ-CD1 4.1Å; V122-L153 HydrophobicContact CG1-CD1 4.43Å; V122-L153 HydrophobicContact CG1-CD2 4.17Å; V122-L153 HydrophobicContact CG1-CG 4.13Å; I123-L153 PolarHBondContact O-N 3.23Å; A124-L153 HydrophobicContact CB-CB 4.2Å; A124-L153 HydrophobicContact CB-CD1 3.8Å; A124-L153 HydrophobicContact CB-CG 4.12Å; L153-V187 CarbonylContact C-O 3.58Å; L153-V187 WeakPolarHBondContact CA-O 3.44Å; L153-V187 HydrophobicContact CD2-CB 4.29Å
154G94.1Very high92.5Very high1 Ų163.2 Ų63.21%0.0132%0.32CS..  trans95.8-178.6-170.800000112.6S152 V187S152-G154 WeakPolarHBondContact CB-O 3.46Å; S152-G154 PolarHBondContact O-N 3.2Å; S152-G154 PolarHBondContact OG-O 3.36Å; G154-V187 PolarHBondContact N-O 2.97Å
155K95Very high92Very high94 Ų9459.5 Ų59.541%0.40931%0.305SS..  trans-151.727.9179.461.1161.3179.8155.60112M173 V186K155-M173 HydrophobicContact CB-CE 3.94Å; K155-M173 HydrophobicContact CB-SD 4.08Å; K155-V186 HydrophobicContact CB-CG1 4.32Å; K155-V186 HydrophobicContact CB-CG2 4.16Å; K155-V186 HydrophobicContact CD-CG2 4.33Å; K155-V186 HydrophobicContact CG-CG1 4.11Å; K155-V186 HydrophobicContact CG-CG2 4.38Å
156G90.6Very high91.6Very high11 Ų1160.4 Ų60.411%0.11331%0.309CS..  trans-63150.6-178.600000110.5D168 G170G156-D168 WeakPolarHBondContact CA-OD2 3.41Å; G156-D168 WeakPolarHBondContact O-CB 3.33Å; G156-G170 WeakPolarHBondContact O-CA 3.37Å; G156-G170 PolarHBondContact O-N 3.22Å
157R91.3Very high91.6Very high193 Ų19356.8 Ų56.873%0.72829%0.294SS*.SBendtrans-82.4-41.6-177.6-67-179.7178.6171.30.5111.3P171R157-P171 WeakPolarHBondContact O-CG 3.03Å
158Y90.9Very high91.5Very high70 Ų7052 Ų5228%0.27527%0.269SS..EExtended strand (participates in β ladder)trans-164161.8-178.452.5-98.6000108.6L165 M166Y158-L165 HydrophobicContact CD2-CD2 4.03Å; Y158-L165 HydrophobicContact CE2-CD2 4.34Å; Y158-M166 CarbonylContact C-O 3.27Å; Y158-M166 WeakPolarHBondContact CA-O 3.25Å; Y158-M166 WeakPolarHBondContact CB-O 3.48Å
159Y87.3Confident91.4Very high31 Ų3149.9 Ų49.912%0.12226%0.255CS..EExtended strand (participates in β ladder)trans-132.5171.9169.766.8-86000109.7Q58 D125 E161 L165 M166 D168Q58-Y159 PolarHBondContact NE2-OH 3.43Å; D125-Y159 VanDerWaalsContact OD2-CE1 3.22Å; D125-Y159 WeakPolarHBondContact OD2-CE1 3.27Å; Y159-E161 HydrophobicContact CD2-CG 4.02Å; Y159-E161 HydrophobicContact CE2-CG 3.38Å; Y159-E161 WeakPolarHBondContact CE2-OE1 3.43Å; Y159-E161 PolarHBondContact OH-OE1 3.08Å; Y159-L165 WeakPolarHBondContact O-CA 3.18Å; Y159-M166 HydrophobicContact CD1-CB 4.2Å; Y159-M166 HydrophobicContact CD2-CB 4.4Å; Y159-M166 HydrophobicContact CE1-CB 3.66Å; Y159-M166 HydrophobicContact CE2-CB 3.93Å; Y159-M166 HydrophobicContact CE2-CG 4.1Å; Y159-M166 VanDerWaalsContact CZ-CB 3.49Å; Y159-M166 PolarHBondContact N-O 3.31Å; Y159-M166 PolarHBondContact O-N 2.92Å; Y159-D168 HydrophobicContact CD1-CB 3.99Å
160K83.9Confident91.3Very high89 Ų8948.7 Ų48.739%0.38725%0.249SC..EExtended strand (participates in β ladder)trans-107.1131.7-179.4-174.3-176.9178.3-168.90110.2L165 G236 K237K160-L165 HydrophobicContact CB-CD2 4.16Å; K160-L165 HydrophobicContact CG-CD2 4.47Å; K160-G236 WeakPolarHBondContact CD-O 3.43Å; K160-G236 PolarHBondContact NZ-O 2.76Å; K160-K237 HydrophobicContact CB-CB 4.26Å
161E86.1Confident91.3Very high34 Ų3451 Ų5116%0.15926%0.264CS..EExtended strand (participates in β ladder)trans-114.6173.4164.8-66.8-168.8177.100110.3S25 Y159 S163 G164 M166S25-E161 VanDerWaalsContact O-CA 3.27Å; S25-E161 WeakPolarHBondContact O-CA 3.38Å; Y159-E161 HydrophobicContact CD2-CG 4.02Å; Y159-E161 HydrophobicContact CE2-CG 3.38Å; Y159-E161 WeakPolarHBondContact CE2-OE1 3.43Å; Y159-E161 PolarHBondContact OH-OE1 3.08Å; E161-S163 PolarHBondContact O-N 2.9Å; E161-S163 PolarHBondContact OE2-OG 2.72Å; E161-G164 PolarHBondContact N-O 3.33Å; E161-G164 PolarHBondContact O-N 3.15Å; E161-G164 VanDerWaalsContact O-N 3.16Å; E161-M166 HydrophobicContact CB-CG 4.08Å; E161-M166 HydrophobicContact CG-CG 3.64Å
162T78.4Confident91.3Very high93 Ų9353.7 Ų53.757%0.57128%0.275SS*.THydrogen-bonded Turntrans-57.7-26.9170.356.70000113.4S25S25-T162 PolarHBondContact O-N 2.86Å; S25-T162 VanDerWaalsContact O-N 3.08Å
163S80.7Confident91.3Very high87 Ų8753.9 Ų53.961%0.60828%0.276SS*.THydrogen-bonded Turntrans-81.2-18.7179.754.40000113.6E161E161-S163 PolarHBondContact O-N 2.9Å; E161-S163 PolarHBondContact OE2-OG 2.72Å
164G86.1Confident91.4Very high33 Ų3359.1 Ų59.134%0.3430%0.298SS..EExtended strand (participates in β ladder)trans138.9-158.4-175.100000112.7E161E161-G164 PolarHBondContact N-O 3.33Å; E161-G164 PolarHBondContact O-N 3.15Å; E161-G164 VanDerWaalsContact O-N 3.16Å
165L87.8Confident91.6Very high89 Ų8961.4 Ų61.447%0.46632%0.317SS..EExtended strand (participates in β ladder)trans-87.3132.3175.7-64.6169.9000110.1Y158 Y159 K160Y158-L165 HydrophobicContact CD2-CD2 4.03Å; Y158-L165 HydrophobicContact CE2-CD2 4.34Å; Y159-L165 WeakPolarHBondContact O-CA 3.18Å; K160-L165 HydrophobicContact CB-CD2 4.16Å; K160-L165 HydrophobicContact CG-CD2 4.47Å
166M90.2Very high91.8Very high62 Ų6257.1 Ų57.131%0.30530%0.298SS..EExtended strand (participates in β ladder)trans-113142.8-178-55.3-55.8-7800109.5Y158 Y159 E161Y158-M166 CarbonylContact C-O 3.27Å; Y158-M166 WeakPolarHBondContact CA-O 3.25Å; Y158-M166 WeakPolarHBondContact CB-O 3.48Å; Y159-M166 HydrophobicContact CD1-CB 4.2Å; Y159-M166 HydrophobicContact CD2-CB 4.4Å; Y159-M166 HydrophobicContact CE1-CB 3.66Å; Y159-M166 HydrophobicContact CE2-CB 3.93Å; Y159-M166 HydrophobicContact CE2-CG 4.1Å; Y159-M166 VanDerWaalsContact CZ-CB 3.49Å; Y159-M166 PolarHBondContact N-O 3.31Å; Y159-M166 PolarHBondContact O-N 2.92Å; E161-M166 HydrophobicContact CB-CG 4.08Å; E161-M166 HydrophobicContact CG-CG 3.64Å
167L94.4Very high92.2Very high104 Ų10457.2 Ų57.255%0.54530%0.296SS..EExtended strand (participates in β ladder)trans-65.6138.6170.4-68.6174000109.2P171 Y172L167-P171 HydrophobicContact CD2-CG 4.07Å; L167-Y172 HydrophobicContact CB-CE2 4.13Å; L167-Y172 HydrophobicContact CD1-CE2 4.47Å
168D94.2Very high92.5Very high24 Ų2458 Ų5813%0.12830%0.301CS..  trans-102.9-175.7178-168.5-5.3000109.6G156 Y159 G170 P171 Y172G156-D168 WeakPolarHBondContact CA-OD2 3.41Å; G156-D168 WeakPolarHBondContact O-CB 3.33Å; Y159-D168 HydrophobicContact CD1-CB 3.99Å; D168-G170 VanDerWaalsContact C-N 3.26Å; D168-G170 PolarHBondContact O-N 2.78Å; D168-P171 VanDerWaalsContact O-CD 3.28Å; D168-P171 WeakPolarHBondContact O-CD 3.4Å; D168-Y172 WeakPolarHBondContact O-CD2 3.5Å
169V97.1Very high92.9Very high0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-59.4-30.6-178.968.60000113.8I123 A124 Y172 M173I123-V169 HydrophobicContact CB-CG2 4.46Å; I123-V169 HydrophobicContact CD1-CG2 4.26Å; I123-V169 HydrophobicContact CG1-CG2 3.9Å; I123-V169 HydrophobicContact CG2-CG2 4.13Å; A124-V169 WeakPolarHBondContact O-CG2 3.43Å; V169-Y172 PolarHBondContact O-N 3.28Å; V169-M173 WeakPolarHBondContact O-CB 3.34Å; V169-M173 PolarHBondContact O-N 3.41Å
170G96.6Very high93.4Very high5 Ų556.8 Ų56.85%0.05231%0.31CS..Hα-helixtrans-58.6-50.2-17200000114.6G156 D168 Y172 M173 K174G156-G170 WeakPolarHBondContact O-CA 3.37Å; G156-G170 PolarHBondContact O-N 3.22Å; D168-G170 VanDerWaalsContact C-N 3.26Å; D168-G170 PolarHBondContact O-N 2.78Å; G170-Y172 VanDerWaalsContact C-N 3.33Å; G170-Y172 PolarHBondContact O-N 2.91Å; G170-M173 PolarHBondContact O-N 3.15Å; G170-K174 WeakPolarHBondContact O-CB 3.48Å; G170-K174 VanDerWaalsContact O-CG 3.31Å; G170-K174 WeakPolarHBondContact O-CG 3.47Å; G170-K174 PolarHBondContact O-N 2.87Å
171P98.5Very high94.1Very high49 Ų4956 Ų5632%0.31833%0.326SS..Hα-helixtrans-49.9-47.1171.5-31.432.6000114.3R157 L167 D168 K174 A175R157-P171 WeakPolarHBondContact O-CG 3.03Å; L167-P171 HydrophobicContact CD2-CG 4.07Å; D168-P171 VanDerWaalsContact O-CD 3.28Å; D168-P171 WeakPolarHBondContact O-CD 3.4Å; P171-K174 PolarHBondContact O-N 3.01Å; P171-A175 PolarHBondContact O-N 3.1Å
172Y98.8Very high94.7Very high58 Ų5855.8 Ų55.823%0.22733%0.326CS..Hα-helixtrans-74-37.9-178.4-62.3-87.2000112.3F130 M135 L167 D168 V169 G170 K174 A175 L176F130-Y172 HydrophobicContact CB-CD1 3.85Å; F130-Y172 HydrophobicContact CB-CE1 3.4Å; F130-Y172 HydrophobicContact CB-CE2 4.32Å; F130-Y172 HydrophobicContact CB-CG 4.46Å; F130-Y172 AromaticContact CD1-CD1 3.65Å; F130-Y172 HydrophobicContact CD1-CD1 3.65Å; F130-Y172 HydrophobicContact CD1-CD2 4.12Å; F130-Y172 HydrophobicContact CD1-CE1 4.11Å; F130-Y172 AromaticContact CD1-CG 3.65Å; F130-Y172 HydrophobicContact CD1-CG 3.65Å; F130-Y172 HydrophobicContact CD2-CD1 4.17Å; F130-Y172 AromaticContact CD2-CD2 3.55Å; F130-Y172 HydrophobicContact CD2-CD2 3.55Å; F130-Y172 HydrophobicContact CD2-CE1 4.02Å; F130-Y172 AromaticContact CD2-CE2 3.37Å; F130-Y172 HydrophobicContact CD2-CE2 3.37Å; F130-Y172 AromaticContact CD2-CG 3.94Å; F130-Y172 HydrophobicContact CD2-CG 3.94Å; F130-Y172 AromaticContact CD2-CZ 3.6Å; F130-Y172 HydrophobicContact CE1-CD1 4.17Å; F130-Y172 HydrophobicContact CE1-CD2 4.03Å; F130-Y172 AromaticContact CE1-CG 3.68Å; F130-Y172 HydrophobicContact CE1-CG 3.68Å; F130-Y172 AromaticContact CE2-CD2 3.4Å; F130-Y172 HydrophobicContact CE2-CD2 3.4Å; F130-Y172 VanDerWaalsContact CE2-CD2 3.4Å; F130-Y172 AromaticContact CE2-CE2 3.63Å; F130-Y172 HydrophobicContact CE2-CE2 3.63Å; F130-Y172 AromaticContact CE2-CG 3.94Å; F130-Y172 HydrophobicContact CE2-CG 3.94Å; F130-Y172 AromaticContact CG-CD1 3.65Å; F130-Y172 HydrophobicContact CG-CD1 3.65Å; F130-Y172 AromaticContact CG-CD2 3.9Å; F130-Y172 HydrophobicContact CG-CD2 3.9Å; F130-Y172 AromaticContact CG-CE1 3.61Å; F130-Y172 HydrophobicContact CG-CE1 3.61Å; F130-Y172 AromaticContact CG-CE2 3.86Å; F130-Y172 HydrophobicContact CG-CE2 3.86Å; F130-Y172 AromaticContact CG-CG 3.78Å; F130-Y172 HydrophobicContact CG-CG 3.78Å; F130-Y172 AromaticContact CG-CZ 3.7Å; F130-Y172 AromaticContact CZ-CD2 3.64Å; F130-Y172 HydrophobicContact CZ-CD2 3.64Å; F130-Y172 HydrophobicContact CZ-CE2 4.32Å; F130-Y172 AromaticContact CZ-CG 3.79Å; F130-Y172 HydrophobicContact CZ-CG 3.79Å; M135-Y172 HydrophobicContact CE-CD1 4.05Å; M135-Y172 HydrophobicContact CG-CD1 4.45Å; M135-Y172 HydrophobicContact SD-CD1 3.81Å; M135-Y172 HydrophobicContact SD-CG 4.43Å; L167-Y172 HydrophobicContact CB-CE2 4.13Å; L167-Y172 HydrophobicContact CD1-CE2 4.47Å; D168-Y172 WeakPolarHBondContact O-CD2 3.5Å; V169-Y172 PolarHBondContact O-N 3.28Å; G170-Y172 VanDerWaalsContact C-N 3.33Å; G170-Y172 PolarHBondContact O-N 2.91Å; Y172-K174 VanDerWaalsContact C-N 3.29Å; Y172-K174 PolarHBondContact O-N 3.27Å; Y172-A175 WeakPolarHBondContact O-CB 3.44Å; Y172-A175 PolarHBondContact O-N 3.43Å; Y172-L176 PolarHBondContact O-N 2.98Å; Y172-L176 VanDerWaalsContact O-N 3.09Å
173M98.6Very high95.7Very high4 Ų458.9 Ų58.92%0.0233%0.331CS..Hα-helixtrans-56.5-45.5169.5176.1-157.670.200110.3I123 S152 K155 V169 G170 A175 L176 E177 A184 V186I123-M173 HydrophobicContact CG2-CB 4.33Å; S152-M173 VanDerWaalsContact CB-SD 3.52Å; S152-M173 PolarHBondContact OG-SD 3Å; S152-M173 VanDerWaalsContact OG-SD 3.39Å; K155-M173 HydrophobicContact CB-CE 3.94Å; K155-M173 HydrophobicContact CB-SD 4.08Å; V169-M173 WeakPolarHBondContact O-CB 3.34Å; V169-M173 PolarHBondContact O-N 3.41Å; G170-M173 PolarHBondContact O-N 3.15Å; M173-A175 VanDerWaalsContact C-N 3.33Å; M173-A175 PolarHBondContact O-N 2.99Å; M173-L176 PolarHBondContact O-N 3.24Å; M173-E177 WeakPolarHBondContact O-CG 3.47Å; M173-E177 PolarHBondContact O-N 3.5Å; M173-A184 HydrophobicContact CG-CB 3.54Å; M173-A184 HydrophobicContact SD-CB 3.67Å; M173-V186 HydrophobicContact SD-CG2 4.12Å
174K98.7Very high96.5Very high110 Ų11055.5 Ų55.548%0.47831%0.309SS..Hα-helixtrans-65.5-34.4177.5-72-70.5165.7-155.40112.9G170 P171 Y172 E177 Y178G170-K174 WeakPolarHBondContact O-CB 3.48Å; G170-K174 VanDerWaalsContact O-CG 3.31Å; G170-K174 WeakPolarHBondContact O-CG 3.47Å; G170-K174 PolarHBondContact O-N 2.87Å; P171-K174 PolarHBondContact O-N 3.01Å; Y172-K174 VanDerWaalsContact C-N 3.29Å; Y172-K174 PolarHBondContact O-N 3.27Å; K174-E177 WeakPolarHBondContact CD-OE2 3.36Å; K174-E177 IonicContact NZ-OE1 3.44Å; K174-E177 IonicContact NZ-OE2 2.93Å; K174-E177 PolarHBondContact NZ-OE2 3.12Å; K174-Y178 WeakPolarHBondContact O-CB 3.48Å; K174-Y178 PolarHBondContact O-N 2.89Å
175A98.8Very high97Very high49 Ų4957.2 Ų57.241%0.40531%0.308SS..Hα-helixtrans-61.8-46.1174.100000111.5M135 P171 Y172 M173 Y178 A179M135-A175 HydrophobicContact CE-CB 4.11Å; P171-A175 PolarHBondContact O-N 3.1Å; Y172-A175 WeakPolarHBondContact O-CB 3.44Å; Y172-A175 PolarHBondContact O-N 3.43Å; M173-A175 VanDerWaalsContact C-N 3.33Å; M173-A175 PolarHBondContact O-N 2.99Å; A175-Y178 PolarHBondContact O-N 2.89Å; A175-A179 WeakPolarHBondContact O-CB 3.26Å; A175-A179 PolarHBondContact O-N 3.2Å
176L98.9Very high97.4Very high4 Ų454.9 Ų54.92%0.02130%0.297CS..Hα-helixtrans-69-40.8176.7-66.3-179.7000112.6L101 I123 M135 A138 F139 L142 L150 Y172 M173 Y178 A179 C180L101-L176 HydrophobicContact CD2-CD1 4.17Å; I123-L176 HydrophobicContact CD1-CD1 4.13Å; M135-L176 HydrophobicContact CE-CD2 3.99Å; M135-L176 HydrophobicContact CE-CG 3.92Å; A138-L176 HydrophobicContact CB-CD1 4.26Å; F139-L176 HydrophobicContact CB-CD2 4.02Å; L142-L176 HydrophobicContact CD1-CD1 4.47Å; L150-L176 HydrophobicContact CD1-CD1 4.07Å; L150-L176 HydrophobicContact CD2-CB 3.77Å; Y172-L176 PolarHBondContact O-N 2.98Å; Y172-L176 VanDerWaalsContact O-N 3.09Å; M173-L176 PolarHBondContact O-N 3.24Å; L176-Y178 VanDerWaalsContact C-N 3.28Å; L176-Y178 PolarHBondContact O-N 2.78Å; L176-A179 PolarHBondContact O-N 2.91Å; L176-C180 WeakPolarHBondContact O-CB 3.23Å; L176-C180 PolarHBondContact O-N 2.68Å
177E98.8Very high97.7Very high14 Ų1452.4 Ų52.47%0.06529%0.286CS..Hα-helixtrans-54.9-45.7173.1-77.8-167.6163.300111.6L150 M173 K174 G181 I182 K183 A184L150-E177 HydrophobicContact CD2-CG 4.33Å; M173-E177 WeakPolarHBondContact O-CG 3.47Å; M173-E177 PolarHBondContact O-N 3.5Å; K174-E177 WeakPolarHBondContact CD-OE2 3.36Å; K174-E177 IonicContact NZ-OE1 3.44Å; K174-E177 IonicContact NZ-OE2 2.93Å; K174-E177 PolarHBondContact NZ-OE2 3.12Å; E177-G181 WeakPolarHBondContact O-CA 3.15Å; E177-G181 PolarHBondContact O-N 2.67Å; E177-I182 WeakPolarHBondContact CA-O 3.41Å; E177-I182 VanDerWaalsContact CB-O 3.31Å; E177-I182 WeakPolarHBondContact CB-O 3.44Å; E177-I182 WeakPolarHBondContact CG-O 3.39Å; E177-I182 PolarHBondContact O-N 3.19Å; E177-K183 IonicContact OE2-NZ 2.99Å; E177-A184 HydrophobicContact CG-CB 4.23Å; E177-A184 PolarHBondContact OE1-N 3.5Å
178Y98.8Very high97.7Very high210 Ų21047.5 Ų47.582%0.82426%0.26SS*.Hα-helixtrans-67.4-46.9179.6-178.9-97.4000111.9K174 A175 L176 C180K174-Y178 WeakPolarHBondContact O-CB 3.48Å; K174-Y178 PolarHBondContact O-N 2.89Å; A175-Y178 PolarHBondContact O-N 2.89Å; L176-Y178 VanDerWaalsContact C-N 3.28Å; L176-Y178 PolarHBondContact O-N 2.78Å; Y178-C180 PolarHBondContact O-N 2.91Å
179A98.6Very high97.7Very high52 Ų5246.7 Ų46.743%0.4326%0.256SS..Hα-helixtrans-65.4-38.4-177.300000112.9F139 A175 L176F139-A179 HydrophobicContact CD2-CB 3.72Å; F139-A179 HydrophobicContact CE2-CB 3.78Å; A175-A179 WeakPolarHBondContact O-CB 3.26Å; A175-A179 PolarHBondContact O-N 3.2Å; L176-A179 PolarHBondContact O-N 2.91Å
180C98.5Very high97.6Very high23 Ų2347.7 Ų47.716%0.15526%0.262CS..Hα-helixtrans-95.8-8.5-176.8-620000113.8F139 L142 M143 L176 Y178 I182F139-C180 VanDerWaalsContact CD2-SG 3.54Å; L142-C180 HydrophobicContact CB-CB 4.49Å; L142-C180 VanDerWaalsContact CB-SG 3.58Å; M143-C180 HydrophobicContact SD-CB 4.33Å; L176-C180 WeakPolarHBondContact O-CB 3.23Å; L176-C180 PolarHBondContact O-N 2.68Å; Y178-C180 PolarHBondContact O-N 2.91Å; C180-I182 VanDerWaalsContact C-N 3.32Å; C180-I182 HydrophobicContact CB-CD1 4.05Å; C180-I182 HydrophobicContact CB-CG1 3.83Å; C180-I182 PolarHBondContact O-N 2.69Å
181G98.1Very high97.4Very high71 Ų7148.6 Ų48.673%0.73227%0.268SS*.THydrogen-bonded Turntrans68.826.1-178.300000114.5E177E177-G181 WeakPolarHBondContact O-CA 3.15Å; E177-G181 PolarHBondContact O-N 2.67Å
182I98.4Very high97.2Very high30 Ų3048.8 Ų48.815%0.15427%0.269CS..  trans-118.5173.6-175.561.9172.8000111.6L142 P148 L150 E177 C180L142-I182 HydrophobicContact CD1-CD1 4.3Å; L142-I182 HydrophobicContact CD2-CD1 4.12Å; P148-I182 HydrophobicContact CB-CD1 4.33Å; P148-I182 HydrophobicContact CB-CG2 4.41Å; P148-I182 HydrophobicContact CG-CG2 3.75Å; L150-I182 HydrophobicContact CB-CD1 3.63Å; L150-I182 HydrophobicContact CD2-CD1 4.46Å; E177-I182 WeakPolarHBondContact CA-O 3.41Å; E177-I182 VanDerWaalsContact CB-O 3.31Å; E177-I182 WeakPolarHBondContact CB-O 3.44Å; E177-I182 WeakPolarHBondContact CG-O 3.39Å; E177-I182 PolarHBondContact O-N 3.19Å; C180-I182 VanDerWaalsContact C-N 3.32Å; C180-I182 HydrophobicContact CB-CD1 4.05Å; C180-I182 HydrophobicContact CB-CG1 3.83Å; C180-I182 PolarHBondContact O-N 2.69Å
183K98.2Very high96.9Very high158 Ų15851.6 Ų51.669%0.68728%0.284SS*.  trans-114.9137.8170.2-67.4-60.8178.2-159.60110.6E177E177-K183 IonicContact OE2-NZ 2.99Å
184A98.1Very high96.8Very high16 Ų1651.6 Ų51.613%0.13228%0.284CS..  trans-76.9139.317800000111.1L150 M173 E177 V186L150-A184 HydrophobicContact CB-CB 4.47Å; L150-A184 HydrophobicContact CD2-CB 3.91Å; L150-A184 HydrophobicContact CG-CB 3.89Å; L150-A184 CarbonylContact O-C 3.52Å; L150-A184 VanDerWaalsContact O-CA 3.25Å; L150-A184 WeakPolarHBondContact O-CA 3.49Å; M173-A184 HydrophobicContact CG-CB 3.54Å; M173-A184 HydrophobicContact SD-CB 3.67Å; E177-A184 HydrophobicContact CG-CB 4.23Å; E177-A184 PolarHBondContact OE1-N 3.5Å; A184-V186 PolarHBondContact O-N 2.69Å
185E97.3Very high96.7Very high69 Ų6946.4 Ų46.432%0.32226%0.261SS..EExtended strand (participates in β ladder)trans-79.9110.9164-66.4-172.2-140.300108.9R94 L150 M151 S152R94-E185 IonicContact CZ-OE1 3.98Å; R94-E185 IonicContact CZ-OE2 3.25Å; R94-E185 VanDerWaalsContact CZ-OE2 3.25Å; R94-E185 IonicContact NH1-OE1 2.87Å; R94-E185 PolarHBondContact NH1-OE1 3.11Å; R94-E185 IonicContact NH1-OE2 2.79Å; R94-E185 PolarHBondContact NH1-OE2 3.25Å; R94-E185 IonicContact NH2-OE2 2.87Å; R94-E185 PolarHBondContact NH2-OE2 2.93Å; L150-E185 PolarHBondContact O-N 3.09Å; M151-E185 CarbonylContact C-O 3.59Å; M151-E185 WeakPolarHBondContact CA-O 3.37Å; S152-E185 PolarHBondContact N-O 3.41Å
186V96.4Very high96.6Very high40 Ų4049.1 Ų49.124%0.24226%0.264CS..EExtended strand (participates in β ladder)trans-86.1119.2-178.4179.70000110.3S152 K155 M173 A184S152-V186 WeakPolarHBondContact O-CA 3.29Å; K155-V186 HydrophobicContact CB-CG1 4.32Å; K155-V186 HydrophobicContact CB-CG2 4.16Å; K155-V186 HydrophobicContact CD-CG2 4.33Å; K155-V186 HydrophobicContact CG-CG1 4.11Å; K155-V186 HydrophobicContact CG-CG2 4.38Å; M173-V186 HydrophobicContact SD-CG2 4.12Å; A184-V186 PolarHBondContact O-N 2.69Å
187V95.8Very high96.4Very high11 Ų1151 Ų517%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-105.6126.3172.3-178.60000108.5P83 A86 A87 I90 M151 S152 L153 G154P83-V187 HydrophobicContact CB-CG1 4.43Å; A86-V187 HydrophobicContact CB-CG1 3.64Å; A87-V187 HydrophobicContact CB-CG1 4.36Å; I90-V187 HydrophobicContact CD1-CG2 3.71Å; M151-V187 HydrophobicContact CG-CG2 3.66Å; M151-V187 HydrophobicContact SD-CG2 3.76Å; S152-V187 PolarHBondContact O-N 3.24Å; L153-V187 CarbonylContact C-O 3.58Å; L153-V187 WeakPolarHBondContact CA-O 3.44Å; L153-V187 HydrophobicContact CD2-CB 4.29Å; G154-V187 PolarHBondContact N-O 2.97Å
188G94.6Very high96.4Very high1 Ų150.3 Ų50.31%0.0128%0.275CS..SBendtrans111.5-179.3-170.500000112.5N55 S191 F194N55-G188 WeakPolarHBondContact OD1-CA 3.17Å; G188-S191 WeakPolarHBondContact O-CA 3.17Å; G188-S191 WeakPolarHBondContact O-CB 3.39Å; G188-S191 PolarHBondContact O-N 2.72Å; G188-F194 VanDerWaalsContact CA-CG 3.44Å
189K95.1Very high96.3Very high6 Ų640.9 Ų40.93%0.02624%0.238CC..THydrogen-bonded Turntrans-60.1137.4177-57.3176.1-68179.50110D17 C53 N55 F194 F195 M211 D219D17-K189 IonicContact OD1-NZ 2.88Å; D17-K189 PolarHBondContact OD1-NZ 3.45Å; D17-K189 IonicContact OD2-NZ 3.67Å; C53-K189 WeakPolarHBondContact O-CE 3.49Å; C53-K189 PolarHBondContact O-NZ 2.97Å; N55-K189 PolarHBondContact ND2-N 2.93Å; N55-K189 PolarHBondContact ND2-O 2.95Å; N55-K189 PolarHBondContact OD1-N 3.38Å; K189-F194 HydrophobicContact CG-CD1 3.63Å; K189-F194 HydrophobicContact CG-CE1 3.8Å; K189-F195 HydrophobicContact CB-CE2 4.41Å; K189-F195 HydrophobicContact CB-CZ 4.14Å; K189-F195 HydrophobicContact CD-CE1 4.23Å; K189-F195 HydrophobicContact CD-CZ 4.13Å; K189-F195 HydrophobicContact CG-CE1 4.15Å; K189-F195 HydrophobicContact CG-CE2 4.31Å; K189-F195 HydrophobicContact CG-CZ 3.79Å; K189-M211 HydrophobicContact CD-CE 4.12Å; K189-D219 WeakPolarHBondContact CD-OD1 3.34Å; K189-D219 WeakPolarHBondContact CE-OD1 3.41Å; K189-D219 IonicContact NZ-OD1 3.63Å; K189-D219 PolarHBondContact NZ-OD1 3.29Å
190P93.5Very high96.3Very high21 Ų2145.6 Ų45.614%0.13625%0.251CS..THydrogen-bonded Turncis-95.525.77.937.8-36.1000114.9G218P190-G218 WeakPolarHBondContact CB-O 3.36Å
191S93.3Very high96.2Very high24 Ų2447 Ų4717%0.16827%0.265CS..  trans-60.7129.7-178.5178.70000111.7G188 E193 F194 F195G188-S191 WeakPolarHBondContact O-CA 3.17Å; G188-S191 WeakPolarHBondContact O-CB 3.39Å; G188-S191 PolarHBondContact O-N 2.72Å; S191-E193 VanDerWaalsContact C-N 3.27Å; S191-E193 PolarHBondContact O-N 2.93Å; S191-E193 PolarHBondContact OG-OE2 3.49Å; S191-E193 VanDerWaalsContact OG-OE2 3.08Å; S191-F194 WeakPolarHBondContact O-CB 3.21Å; S191-F194 PolarHBondContact O-N 3.37Å; S191-F194 VanDerWaalsContact O-N 3.07Å; S191-F195 WeakPolarHBondContact O-CD2 3.28Å; S191-F195 PolarHBondContact O-N 3.3Å
192P94.2Very high96.2Very high53 Ų5345 Ų4534%0.34424%0.237SC..Hα-helixtrans-58.2-37.4178.6-25.434.7000113.8F194 F195 K196 C226P192-F194 PolarHBondContact O-N 3.2Å; P192-F195 PolarHBondContact O-N 3.22Å; P192-K196 WeakPolarHBondContact O-CB 3.47Å; P192-K196 VanDerWaalsContact O-CG 3.23Å; P192-K196 WeakPolarHBondContact O-CG 3.44Å; P192-K196 PolarHBondContact O-N 2.88Å; P192-C226 VanDerWaalsContact CA-SG 3.6Å
193E93.1Very high96.2Very high117 Ų11746.9 Ų46.955%0.54726%0.264SS..Hα-helixtrans-61.5-32.8178.4-68.961.9-132.900111.1S191 K196 S197S191-E193 VanDerWaalsContact C-N 3.27Å; S191-E193 PolarHBondContact O-N 2.93Å; S191-E193 PolarHBondContact OG-OE2 3.49Å; S191-E193 VanDerWaalsContact OG-OE2 3.08Å; E193-K196 IonicContact OE1-NZ 3.95Å; E193-S197 PolarHBondContact O-N 3.16Å
194F95.4Very high96.2Very high5 Ų540 Ų402%0.02224%0.235CC..Hα-helixtrans-72.2-43.8178.7-163.6-107.9000112.6C53 T54 T81 P83 G188 K189 S191 P192 S197 A198C53-F194 VanDerWaalsContact SG-CE1 3.56Å; T54-F194 WeakPolarHBondContact O-CZ 3.16Å; T81-F194 HydrophobicContact CG2-CD2 4.32Å; T81-F194 HydrophobicContact CG2-CE1 4.24Å; T81-F194 HydrophobicContact CG2-CE2 3.78Å; T81-F194 HydrophobicContact CG2-CZ 3.75Å; P83-F194 HydrophobicContact CB-CE2 4.49Å; G188-F194 VanDerWaalsContact CA-CG 3.44Å; K189-F194 HydrophobicContact CG-CD1 3.63Å; K189-F194 HydrophobicContact CG-CE1 3.8Å; S191-F194 WeakPolarHBondContact O-CB 3.21Å; S191-F194 PolarHBondContact O-N 3.37Å; S191-F194 VanDerWaalsContact O-N 3.07Å; P192-F194 PolarHBondContact O-N 3.2Å; F194-S197 PolarHBondContact O-N 2.97Å; F194-S197 PolarHBondContact O-OG 3.42Å; F194-A198 PolarHBondContact O-N 3.13Å
195F97.5Very high96.2Very high0 Ų045.1 Ų45.10%026%0.256CS..Hα-helixtrans-66.2-40.4173.3-71.3-73.2000111.7L15 K189 S191 P192 S197 A198 L199 M211 A223 C226 M228L15-F195 HydrophobicContact CD1-CD1 4.09Å; K189-F195 HydrophobicContact CB-CE2 4.41Å; K189-F195 HydrophobicContact CB-CZ 4.14Å; K189-F195 HydrophobicContact CD-CE1 4.23Å; K189-F195 HydrophobicContact CD-CZ 4.13Å; K189-F195 HydrophobicContact CG-CE1 4.15Å; K189-F195 HydrophobicContact CG-CE2 4.31Å; K189-F195 HydrophobicContact CG-CZ 3.79Å; S191-F195 WeakPolarHBondContact O-CD2 3.28Å; S191-F195 PolarHBondContact O-N 3.3Å; P192-F195 PolarHBondContact O-N 3.22Å; F195-S197 VanDerWaalsContact C-N 3.35Å; F195-S197 PolarHBondContact O-N 3.35Å; F195-A198 PolarHBondContact O-N 3.2Å; F195-L199 WeakPolarHBondContact O-CB 3.23Å; F195-L199 VanDerWaalsContact O-CG 3.29Å; F195-L199 WeakPolarHBondContact O-CG 3.22Å; F195-L199 PolarHBondContact O-N 3.39Å; F195-M211 HydrophobicContact CE1-CG 4.3Å; F195-M211 HydrophobicContact CE1-SD 4.21Å; F195-A223 HydrophobicContact CD1-CB 4.32Å; F195-A223 HydrophobicContact CE1-CB 3.93Å; F195-A223 HydrophobicContact CZ-CB 4.18Å; F195-C226 HydrophobicContact CB-CB 4.31Å; F195-M228 HydrophobicContact CB-SD 4.41Å; F195-M228 HydrophobicContact CD1-SD 4.13Å
196K96.3Very high96.2Very high107 Ų10743 Ų4347%0.46525%0.25SS..Hα-helixtrans-59.2-43.4176.2-73.8169.6-173.7170.40111.9P192 E193 L199 Q200P192-K196 WeakPolarHBondContact O-CB 3.47Å; P192-K196 VanDerWaalsContact O-CG 3.23Å; P192-K196 WeakPolarHBondContact O-CG 3.44Å; P192-K196 PolarHBondContact O-N 2.88Å; E193-K196 IonicContact OE1-NZ 3.95Å; K196-L199 PolarHBondContact O-N 2.88Å; K196-Q200 WeakPolarHBondContact O-CB 3.4Å; K196-Q200 VanDerWaalsContact O-CG 3.23Å; K196-Q200 WeakPolarHBondContact O-CG 3.35Å; K196-Q200 PolarHBondContact O-N 3.08Å
197S95.3Very high96.3Very high43 Ų4346.1 Ų46.130%0.30126%0.262SS..Hα-helixtrans-66-39178.273.40000112E193 F194 F195 Q200 A201E193-S197 PolarHBondContact O-N 3.16Å; F194-S197 PolarHBondContact O-N 2.97Å; F194-S197 PolarHBondContact O-OG 3.42Å; F195-S197 VanDerWaalsContact C-N 3.35Å; F195-S197 PolarHBondContact O-N 3.35Å; S197-Q200 PolarHBondContact O-N 3.26Å; S197-A201 WeakPolarHBondContact O-CB 3.43Å; S197-A201 PolarHBondContact O-N 3.3Å
198A97.4Very high96.4Very high0 Ų047.8 Ų47.80%027%0.269CS..Hα-helixtrans-63.1-41.9174.200000112.5L15 R51 C53 T81 F194 F195 A201L15-A198 HydrophobicContact CD1-CB 3.83Å; L15-A198 HydrophobicContact CD2-CB 4.12Å; R51-A198 HydrophobicContact CG-CB 4.25Å; C53-A198 HydrophobicContact CB-CB 4.49Å; T81-A198 HydrophobicContact CG2-CB 4.21Å; F194-A198 PolarHBondContact O-N 3.13Å; F195-A198 PolarHBondContact O-N 3.2Å; A198-A201 PolarHBondContact O-N 3.39Å
199L98.2Very high96.6Very high11 Ų1147.8 Ų47.86%0.05827%0.269CS..Hα-helixtrans-65.7-44.4175.8-73.1171.6000112.5L15 F195 K196 A201 I202 G203 V204 A206 A209 M228L15-L199 HydrophobicContact CD1-CD2 4.3Å; L15-L199 HydrophobicContact CD1-CG 4.33Å; L15-L199 HydrophobicContact CD2-CD2 4.48Å; L15-L199 HydrophobicContact CG-CD2 4.47Å; F195-L199 WeakPolarHBondContact O-CB 3.23Å; F195-L199 VanDerWaalsContact O-CG 3.29Å; F195-L199 WeakPolarHBondContact O-CG 3.22Å; F195-L199 PolarHBondContact O-N 3.39Å; K196-L199 PolarHBondContact O-N 2.88Å; L199-A201 VanDerWaalsContact C-N 3.28Å; L199-A201 PolarHBondContact O-N 3.38Å; L199-I202 VanDerWaalsContact O-CG1 3.29Å; L199-I202 WeakPolarHBondContact O-CG1 3.46Å; L199-I202 PolarHBondContact O-N 2.89Å; L199-I202 VanDerWaalsContact O-N 3.17Å; L199-G203 PolarHBondContact O-N 3.21Å; L199-V204 WeakPolarHBondContact CB-O 3.38Å; L199-V204 PolarHBondContact O-N 3.16Å; L199-A206 HydrophobicContact CD1-CB 3.81Å; L199-A209 HydrophobicContact CD2-CB 3.35Å; L199-M228 HydrophobicContact CD1-CG 4.18Å; L199-M228 HydrophobicContact CD1-SD 4Å; L199-M228 HydrophobicContact CD2-CE 4.3Å; L199-M228 HydrophobicContact CD2-SD 4.22Å; L199-M228 HydrophobicContact CG-SD 4.3Å
200Q97.4Very high96.8Very high151 Ų15147.5 Ų47.571%0.70627%0.267SS*.Hα-helixtrans-59-40.2175.8-76.3170.1-6.200111.6K196 S197 I202 G203K196-Q200 WeakPolarHBondContact O-CB 3.4Å; K196-Q200 VanDerWaalsContact O-CG 3.23Å; K196-Q200 WeakPolarHBondContact O-CG 3.35Å; K196-Q200 PolarHBondContact O-N 3.08Å; S197-Q200 PolarHBondContact O-N 3.26Å; Q200-I202 PolarHBondContact O-N 3.36Å; Q200-G203 PolarHBondContact O-N 3.2Å; Q200-G203 VanDerWaalsContact O-N 3.11Å
201A97Very high97Very high54 Ų5446.5 Ų46.545%0.44626%0.261SS..Hα-helixtrans-63.3-22.4179.600000113.9S197 A198 L199S197-A201 WeakPolarHBondContact O-CB 3.43Å; S197-A201 PolarHBondContact O-N 3.3Å; A198-A201 PolarHBondContact O-N 3.39Å; L199-A201 VanDerWaalsContact C-N 3.28Å; L199-A201 PolarHBondContact O-N 3.38Å
202I97.6Very high97.3Very high27 Ų2745.3 Ų45.314%0.13825%0.253CS..Hα-helixtrans-107.9-1.5174.657.8172.2000114L15 K49 R51 L199 Q200 V204L15-I202 HydrophobicContact CD2-CD1 3.81Å; K49-I202 HydrophobicContact CB-CB 3.95Å; K49-I202 HydrophobicContact CB-CD1 4.26Å; K49-I202 HydrophobicContact CB-CG2 4.36Å; R51-I202 HydrophobicContact CB-CD1 4.36Å; R51-I202 HydrophobicContact CB-CG2 3.75Å; R51-I202 HydrophobicContact CG-CG2 4.34Å; L199-I202 VanDerWaalsContact O-CG1 3.29Å; L199-I202 WeakPolarHBondContact O-CG1 3.46Å; L199-I202 PolarHBondContact O-N 2.89Å; L199-I202 VanDerWaalsContact O-N 3.17Å; Q200-I202 PolarHBondContact O-N 3.36Å; I202-V204 VanDerWaalsContact C-N 3.34Å; I202-V204 HydrophobicContact CB-CG2 4.4Å; I202-V204 HydrophobicContact CD1-CB 4.04Å; I202-V204 HydrophobicContact CD1-CG2 3.94Å; I202-V204 HydrophobicContact CG1-CB 4.03Å; I202-V204 HydrophobicContact CG1-CG2 3.94Å; I202-V204 PolarHBondContact O-N 2.92Å
203G98Very high97.5Very high70 Ų7042.8 Ų42.872%0.72224%0.237SC*.THydrogen-bonded Turntrans62.736.7-179.600000113.6L199 Q200L199-G203 PolarHBondContact O-N 3.21Å; Q200-G203 PolarHBondContact O-N 3.2Å; Q200-G203 VanDerWaalsContact O-N 3.11Å
204V98.2Very high97.7Very high13 Ų1337.7 Ų37.78%0.07921%0.213CC..  trans-118.4135.1-179.3-179.80000109.9K49 L199 I202 Q208 A209K49-V204 HydrophobicContact CB-CG2 4.11Å; K49-V204 HydrophobicContact CG-CG2 4.15Å; L199-V204 WeakPolarHBondContact CB-O 3.38Å; L199-V204 PolarHBondContact O-N 3.16Å; I202-V204 VanDerWaalsContact C-N 3.34Å; I202-V204 HydrophobicContact CB-CG2 4.4Å; I202-V204 HydrophobicContact CD1-CB 4.04Å; I202-V204 HydrophobicContact CD1-CG2 3.94Å; I202-V204 HydrophobicContact CG1-CB 4.03Å; I202-V204 HydrophobicContact CG1-CG2 3.94Å; I202-V204 PolarHBondContact O-N 2.92Å; V204-Q208 HydrophobicContact CG1-CB 3.74Å; V204-A209 HydrophobicContact CG1-CB 4.05Å
205E98.3Very high97.7Very high125 Ų12539 Ų3958%0.58422%0.22SC*.  trans-76.6150.5173.9-64.7-170.7179.300111.6H207 Q208 A209E205-H207 VanDerWaalsContact C-N 3.28Å; E205-H207 PolarHBondContact O-N 3.09Å; E205-H207 VanDerWaalsContact O-N 3.16Å; E205-H207 IonicContact OE2-CE1 3.49Å; E205-H207 PolarHBondContact OE2-CE1 3.2Å; E205-H207 IonicContact OE2-ND1 3.3Å; E205-H207 PolarHBondContact OE2-ND1 2.93Å; E205-Q208 WeakPolarHBondContact O-CA 3.44Å; E205-Q208 WeakPolarHBondContact O-CB 3.38Å; E205-Q208 PolarHBondContact O-N 2.85Å; E205-A209 PolarHBondContact O-N 3.33Å
206A98.4Very high97.7Very high23 Ų2339.3 Ų39.319%0.1922%0.222CC..G310 helixtrans-52.8-43.3-174.700000113.4L199 Q208 A209 C226 G227 M228L199-A206 HydrophobicContact CD1-CB 3.81Å; A206-Q208 PolarHBondContact O-N 3.29Å; A206-Q208 VanDerWaalsContact O-N 3.14Å; A206-A209 PolarHBondContact O-N 2.8Å; A206-C226 WeakPolarHBondContact CB-O 3.3Å; A206-G227 CarbonylContact C-O 3.55Å; A206-M228 HydrophobicContact CB-CG 3.87Å; A206-M228 WeakPolarHBondContact O-CA 3.35Å
207H98.1Very high97.6Very high106 Ų10636.3 Ų36.349%0.49121%0.212SC..G310 helixtrans-65-19.6-179.679-91.5000113.6E205 G227 R229E205-H207 VanDerWaalsContact C-N 3.28Å; E205-H207 PolarHBondContact O-N 3.09Å; E205-H207 VanDerWaalsContact O-N 3.16Å; E205-H207 IonicContact OE2-CE1 3.49Å; E205-H207 PolarHBondContact OE2-CE1 3.2Å; E205-H207 IonicContact OE2-ND1 3.3Å; E205-H207 PolarHBondContact OE2-ND1 2.93Å; H207-G227 PolarHBondContact N-O 3.32Å; H207-R229 PolarHBondContact O-NH2 3.01Å
208Q98.2Very high97.6Very high47 Ų4734.7 Ų34.722%0.2220%0.202CC..G310 helixtrans-97.63.9175.9-57.1-178.7-22.700112.2V11 R12 G13 V204 E205 A206V11-Q208 CarbonylContact C-O 3.6Å; V11-Q208 WeakPolarHBondContact CA-O 3.36Å; R12-Q208 HydrophobicContact CB-CB 4.3Å; R12-Q208 HydrophobicContact CG-CB 4.46Å; R12-Q208 PolarHBondContact N-O 3.33Å; G13-Q208 PolarHBondContact N-O 3.23Å; G13-Q208 VanDerWaalsContact N-O 3.15Å; V204-Q208 HydrophobicContact CG1-CB 3.74Å; E205-Q208 WeakPolarHBondContact O-CA 3.44Å; E205-Q208 WeakPolarHBondContact O-CB 3.38Å; E205-Q208 PolarHBondContact O-N 2.85Å; A206-Q208 PolarHBondContact O-N 3.29Å; A206-Q208 VanDerWaalsContact O-N 3.14Å
209A98.6Very high97.6Very high0 Ų034.8 Ų34.80%020%0.203CC..EExtended strand (participates in β ladder)trans-114.6152.2-177.100000112.3G13 L199 V204 E205 A206 M228 R229G13-A209 VanDerWaalsContact O-CA 3.27Å; G13-A209 WeakPolarHBondContact O-CA 3.3Å; L199-A209 HydrophobicContact CD2-CB 3.35Å; V204-A209 HydrophobicContact CG1-CB 4.05Å; E205-A209 PolarHBondContact O-N 3.33Å; A206-A209 PolarHBondContact O-N 2.8Å; A209-M228 HydrophobicContact CB-CE 3.82Å; A209-M228 HydrophobicContact CB-CG 4.33Å; A209-R229 PolarHBondContact O-N 3.36Å; A209-R229 VanDerWaalsContact O-N 3.15Å
210V98.8Very high97.6Very high0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-125.1134170.567.60000110.3V11 G13 V14 L15 R229 L231 L264V11-V210 HydrophobicContact CG1-CB 4.36Å; V11-V210 HydrophobicContact CG1-CG1 3.82Å; V11-V210 HydrophobicContact CG2-CB 4.36Å; G13-V210 PolarHBondContact O-N 3.49Å; V14-V210 WeakPolarHBondContact CA-O 3.43Å; V14-V210 HydrophobicContact CB-CG1 4.46Å; V14-V210 HydrophobicContact CG1-CG1 4.25Å; V14-V210 HydrophobicContact CG2-CG1 4.1Å; L15-V210 PolarHBondContact N-O 2.88Å; V210-R229 CarbonylContact C-O 3.56Å; V210-R229 VanDerWaalsContact CA-O 3.26Å; V210-R229 WeakPolarHBondContact CA-O 3.42Å; V210-R229 HydrophobicContact CB-CB 4.33Å; V210-R229 HydrophobicContact CG2-CB 4.07Å; V210-L231 HydrophobicContact CG2-CD1 4.34Å; V210-L231 HydrophobicContact CG2-CG 3.87Å; V210-L264 HydrophobicContact CG1-CD1 4.4Å; V210-L264 HydrophobicContact CG1-CD2 4.1Å
211M98.8Very high97.7Very high0 Ų027.2 Ų27.20%017%0.168CC..EExtended strand (participates in β ladder)trans-91.4137.1168.2178.561.8-171.900109.6L15 D17 K189 F195 D219 A223 M228 R229 A230 L231L15-M211 HydrophobicContact CB-SD 3.63Å; L15-M211 CarbonylContact O-C 3.51Å; L15-M211 WeakPolarHBondContact O-CA 3.48Å; L15-M211 VanDerWaalsContact O-SD 3.42Å; D17-M211 HydrophobicContact CB-CE 3.7Å; K189-M211 HydrophobicContact CD-CE 4.12Å; F195-M211 HydrophobicContact CE1-CG 4.3Å; F195-M211 HydrophobicContact CE1-SD 4.21Å; M211-D219 HydrophobicContact CE-CB 3.69Å; M211-D219 WeakPolarHBondContact CE-OD1 3.36Å; M211-D219 HydrophobicContact CG-CB 4.15Å; M211-A223 HydrophobicContact CB-CB 3.39Å; M211-A223 HydrophobicContact CG-CB 3.92Å; M211-M228 HydrophobicContact CB-CE 3.88Å; M211-R229 PolarHBondContact N-O 3.43Å; M211-A230 HydrophobicContact CB-CB 4.11Å; M211-A230 CarbonylContact O-C 3.56Å; M211-A230 VanDerWaalsContact O-CA 3.23Å; M211-A230 WeakPolarHBondContact O-CA 3.07Å; M211-L231 PolarHBondContact O-N 2.86Å
212I98.9Very high97.7Very high0 Ų024.7 Ų24.70%015%0.147CC..EExtended strand (participates in β ladder)trans-121.1118.4171.8-53.6178.7000107.5V14 L15 L16 D17 V21 L231 V233 L257 A260 L264V14-I212 HydrophobicContact CG1-CD1 3.84Å; V14-I212 HydrophobicContact CG1-CG1 4.25Å; L15-I212 PolarHBondContact O-N 3.01Å; L16-I212 HydrophobicContact CD2-CB 3.92Å; L16-I212 HydrophobicContact CD2-CD1 3.84Å; L16-I212 HydrophobicContact CD2-CG1 4.19Å; D17-I212 PolarHBondContact N-O 3.23Å; V21-I212 HydrophobicContact CG1-CG2 4.19Å; I212-L231 WeakPolarHBondContact CA-O 3.48Å; I212-L231 HydrophobicContact CG1-CB 4.37Å; I212-L231 HydrophobicContact CG1-CD1 4.45Å; I212-V233 HydrophobicContact CG2-CG1 3.57Å; I212-L257 HydrophobicContact CD1-CD1 4.09Å; I212-L257 HydrophobicContact CG2-CD1 4.26Å; I212-A260 HydrophobicContact CD1-CB 3.82Å; I212-A260 HydrophobicContact CG2-CB 4.48Å; I212-L264 HydrophobicContact CD1-CD1 4.03Å
213G98.4Very high97.7Very high0 Ų023.4 Ų23.40%014%0.14CC..EExtended strand (participates in β ladder)trans-152.8162.8-171.800000113.6D219 L231 V233G213-D219 WeakPolarHBondContact CA-OD2 3.37Å; G213-L231 PolarHBondContact N-O 2.83Å; G213-V233 PolarHBondContact O-N 3.25Å
214D96.8Very high97.7Very high9 Ų922.7 Ų22.75%0.04812%0.118CC..SBendtrans-97.5-13177.587.4-26.1000112.7V21 D219 Q232 V233 G236 K237V21-D214 HydrophobicContact CG2-CB 4.49Å; D214-D219 PolarHBondContact N-OD2 2.98Å; D214-Q232 VanDerWaalsContact C-NE2 3.28Å; D214-Q232 PolarHBondContact O-NE2 2.87Å; D214-V233 HydrophobicContact CB-CG2 3.78Å; D214-G236 WeakPolarHBondContact OD2-CA 3.46Å; D214-K237 WeakPolarHBondContact OD1-CE 3.19Å; D214-K237 IonicContact OD1-NZ 2.75Å; D214-K237 WeakPolarHBondContact OD2-CG 3.25Å; D214-K237 PolarHBondContact OD2-N 3.19Å
215D95.6Very high97.7Very high32 Ų3229.4 Ų29.417%0.17114%0.142CC..  trans-93.7106.8176.1-159.9-46.6000112.4V217 G218 D219 V220 K237D215-V217 PolarHBondContact O-N 2.81Å; D215-V217 VanDerWaalsContact O-N 3.15Å; D215-V217 PolarHBondContact OD1-N 2.93Å; D215-G218 PolarHBondContact O-N 3.15Å; D215-G218 PolarHBondContact OD1-N 3.02Å; D215-D219 HydrophobicContact CB-CB 4.36Å; D215-D219 VanDerWaalsContact CB-OD2 3.29Å; D215-D219 WeakPolarHBondContact CB-OD2 3.35Å; D215-D219 PolarHBondContact N-OD2 3.43Å; D215-D219 WeakPolarHBondContact O-CA 3.4Å; D215-D219 WeakPolarHBondContact O-CB 3.05Å; D215-D219 PolarHBondContact O-N 2.95Å; D215-V220 PolarHBondContact O-N 3.34Å; D215-V220 VanDerWaalsContact O-N 3.12Å; D215-K237 VanDerWaalsContact CB-NZ 3.28Å; D215-K237 VanDerWaalsContact CG-NZ 3.3Å; D215-K237 WeakPolarHBondContact OD2-CE 3.45Å; D215-K237 IonicContact OD2-NZ 3.15Å; D215-K237 PolarHBondContact OD2-NZ 2.99Å
216I96.9Very high97.7Very high8 Ų824.7 Ų24.74%0.04112%0.123CC..Iπ-helixtrans-58.5-30.7179.4-168.661.6000113V220 G221 Q232 D242 H245 V248 Y253I216-V220 HydrophobicContact CD1-CB 4.18Å; I216-V220 HydrophobicContact CD1-CG1 4.11Å; I216-V220 HydrophobicContact CD1-CG2 4.36Å; I216-V220 WeakPolarHBondContact O-CB 3.34Å; I216-G221 PolarHBondContact O-N 2.95Å; I216-Q232 VanDerWaalsContact CA-OE1 3.23Å; I216-Q232 HydrophobicContact CD1-CB 4.49Å; I216-Q232 HydrophobicContact CD1-CG 4.48Å; I216-D242 HydrophobicContact CB-CB 4.12Å; I216-D242 HydrophobicContact CG1-CB 4.42Å; I216-D242 HydrophobicContact CG2-CB 4.11Å; I216-H245 HydrophobicContact CG1-CB 3.96Å; I216-V248 HydrophobicContact CD1-CB 4.47Å; I216-V248 HydrophobicContact CD1-CG1 4.05Å; I216-V248 HydrophobicContact CG1-CB 4.16Å; I216-V248 HydrophobicContact CG1-CG1 4.19Å; I216-V248 WeakPolarHBondContact O-CG1 3.32Å; I216-Y253 HydrophobicContact CD1-CE1 4.42Å
217V95.4Very high97.7Very high43 Ų4325.8 Ų25.826%0.26114%0.137SC..Iπ-helixtrans-95-46.3-179.9-178.90000111.5D215 G222D215-V217 PolarHBondContact O-N 2.81Å; D215-V217 VanDerWaalsContact O-N 3.15Å; D215-V217 PolarHBondContact OD1-N 2.93Å; V217-G222 PolarHBondContact O-N 3.19Å; V217-G222 VanDerWaalsContact O-N 3.1Å
218G94.6Very high97.7Very high9 Ų921.2 Ų21.29%0.09312%0.115CC..Iπ-helixtrans-71.8-49.9-17400000112.9P190 D215P190-G218 WeakPolarHBondContact CB-O 3.36Å; D215-G218 PolarHBondContact O-N 3.15Å; D215-G218 PolarHBondContact OD1-N 3.02Å
219D97.7Very high97.7Very high3 Ų320.8 Ų20.82%0.01611%0.112CC..Iπ-helixtrans-89-59.8-177-57.5-40.4000110.4K189 M211 G213 D214 D215 A223K189-D219 WeakPolarHBondContact CD-OD1 3.34Å; K189-D219 WeakPolarHBondContact CE-OD1 3.41Å; K189-D219 IonicContact NZ-OD1 3.63Å; K189-D219 PolarHBondContact NZ-OD1 3.29Å; M211-D219 HydrophobicContact CE-CB 3.69Å; M211-D219 WeakPolarHBondContact CE-OD1 3.36Å; M211-D219 HydrophobicContact CG-CB 4.15Å; G213-D219 WeakPolarHBondContact CA-OD2 3.37Å; D214-D219 PolarHBondContact N-OD2 2.98Å; D215-D219 HydrophobicContact CB-CB 4.36Å; D215-D219 VanDerWaalsContact CB-OD2 3.29Å; D215-D219 WeakPolarHBondContact CB-OD2 3.35Å; D215-D219 PolarHBondContact N-OD2 3.43Å; D215-D219 WeakPolarHBondContact O-CA 3.4Å; D215-D219 WeakPolarHBondContact O-CB 3.05Å; D215-D219 PolarHBondContact O-N 2.95Å; D219-A223 WeakPolarHBondContact O-CB 3.47Å; D219-A223 PolarHBondContact O-N 3.06Å
220V98.5Very high97.7Very high0 Ų020.8 Ų20.80%011%0.112CC..Iπ-helixtrans-70.8-61.1-171.1177.20000110.4D215 I216 G222 A223 Q224 A230 Q232 V248 A250D215-V220 PolarHBondContact O-N 3.34Å; D215-V220 VanDerWaalsContact O-N 3.12Å; I216-V220 HydrophobicContact CD1-CB 4.18Å; I216-V220 HydrophobicContact CD1-CG1 4.11Å; I216-V220 HydrophobicContact CD1-CG2 4.36Å; I216-V220 WeakPolarHBondContact O-CB 3.34Å; V220-G222 PolarHBondContact O-N 3.26Å; V220-A223 PolarHBondContact O-N 2.9Å; V220-Q224 WeakPolarHBondContact O-CB 3.47Å; V220-Q224 WeakPolarHBondContact O-CG 3.43Å; V220-Q224 PolarHBondContact O-N 3.3Å; V220-A230 HydrophobicContact CB-CB 4.07Å; V220-A230 HydrophobicContact CG1-CB 3.79Å; V220-A230 HydrophobicContact CG2-CB 4.28Å; V220-Q232 HydrophobicContact CG2-CB 4.06Å; V220-V248 HydrophobicContact CB-CG1 4.44Å; V220-V248 HydrophobicContact CG1-CG1 3.91Å; V220-A250 HydrophobicContact CG1-CB 3.67Å
221G97.9Very high97.7Very high3 Ų320.9 Ų20.93%0.03111%0.112CC..Hα-helixtrans-63.3-29.3178.500000113.2I216 R225I216-G221 PolarHBondContact O-N 2.95Å; G221-R225 WeakPolarHBondContact O-CD 3.2Å; G221-R225 WeakPolarHBondContact O-CG 3.5Å; G221-R225 PolarHBondContact O-N 3.32Å; G221-R225 PolarHBondContact O-NH1 3.3Å
222G97.5Very high97.7Very high0 Ų020.9 Ų20.90%011%0.112CC..Hα-helixtrans-66.5-51.3174.800000112.3V217 V220 R225 C226V217-G222 PolarHBondContact O-N 3.19Å; V217-G222 VanDerWaalsContact O-N 3.1Å; V220-G222 PolarHBondContact O-N 3.26Å; G222-R225 PolarHBondContact O-N 3.37Å; G222-C226 PolarHBondContact O-N 2.81Å; G222-C226 PolarHBondContact O-SG 3.16Å
223A98.4Very high97.7Very high0 Ų020.9 Ų20.90%011%0.112CC..Hα-helixtrans-64.9-41.7179.600000112.3F195 M211 D219 V220 R225 C226 G227 M228 A230F195-A223 HydrophobicContact CD1-CB 4.32Å; F195-A223 HydrophobicContact CE1-CB 3.93Å; F195-A223 HydrophobicContact CZ-CB 4.18Å; M211-A223 HydrophobicContact CB-CB 3.39Å; M211-A223 HydrophobicContact CG-CB 3.92Å; D219-A223 WeakPolarHBondContact O-CB 3.47Å; D219-A223 PolarHBondContact O-N 3.06Å; V220-A223 PolarHBondContact O-N 2.9Å; A223-R225 VanDerWaalsContact C-N 3.34Å; A223-R225 PolarHBondContact O-N 3.23Å; A223-C226 CarbonylContact O-C 3.56Å; A223-C226 WeakPolarHBondContact O-CA 3.33Å; A223-C226 WeakPolarHBondContact O-CB 3.35Å; A223-C226 PolarHBondContact O-N 3.04Å; A223-G227 PolarHBondContact O-N 3.17Å; A223-M228 HydrophobicContact CB-CB 4.05Å; A223-M228 HydrophobicContact CB-CE 4.34Å; A223-M228 HydrophobicContact CB-SD 3.95Å; A223-M228 WeakPolarHBondContact O-CB 3.3Å; A223-M228 PolarHBondContact O-N 3.5Å; A223-M228 VanDerWaalsContact O-N 3.11Å; A223-A230 HydrophobicContact CB-CB 4.18Å
224Q98.6Very high97.7Very high55 Ų5525 Ų2526%0.25713%0.128SC..Hα-helixtrans-61-40.3177.7-74.2179.4-27.500112.8V220 C226 G227 M228 A230 K249 D251V220-Q224 WeakPolarHBondContact O-CB 3.47Å; V220-Q224 WeakPolarHBondContact O-CG 3.43Å; V220-Q224 PolarHBondContact O-N 3.3Å; Q224-C226 PolarHBondContact O-N 2.86Å; Q224-C226 VanDerWaalsContact O-N 3.17Å; Q224-G227 PolarHBondContact O-N 2.92Å; Q224-M228 WeakPolarHBondContact CA-O 3.42Å; Q224-A230 HydrophobicContact CG-CB 4.17Å; Q224-K249 PolarHBondContact NE2-O 2.83Å; Q224-K249 PolarHBondContact OE1-O 2.96Å; Q224-D251 PolarHBondContact NE2-OD2 3.47Å
225R98Very high97.7Very high154 Ų15425.9 Ų25.958%0.58113%0.134SC*.Hα-helixtrans-63.2-19.5173.9-72.2173.5-168.5111.2-3.4113G221 G222 A223G221-R225 WeakPolarHBondContact O-CD 3.2Å; G221-R225 WeakPolarHBondContact O-CG 3.5Å; G221-R225 PolarHBondContact O-N 3.32Å; G221-R225 PolarHBondContact O-NH1 3.3Å; G222-R225 PolarHBondContact O-N 3.37Å; A223-R225 VanDerWaalsContact C-N 3.34Å; A223-R225 PolarHBondContact O-N 3.23Å
226C97.5Very high97.6Very high26 Ų2624.6 Ų24.618%0.17613%0.128CC..THydrogen-bonded Turntrans-91.72.2175.2-57.50000113.3P192 F195 A206 G222 A223 Q224P192-C226 VanDerWaalsContact CA-SG 3.6Å; F195-C226 HydrophobicContact CB-CB 4.31Å; A206-C226 WeakPolarHBondContact CB-O 3.3Å; G222-C226 PolarHBondContact O-N 2.81Å; G222-C226 PolarHBondContact O-SG 3.16Å; A223-C226 CarbonylContact O-C 3.56Å; A223-C226 WeakPolarHBondContact O-CA 3.33Å; A223-C226 WeakPolarHBondContact O-CB 3.35Å; A223-C226 PolarHBondContact O-N 3.04Å; Q224-C226 PolarHBondContact O-N 2.86Å; Q224-C226 VanDerWaalsContact O-N 3.17Å
227G98Very high97.4Very high47 Ų4725.6 Ų25.649%0.48513%0.132SC..THydrogen-bonded Turntrans81.813.3-177.700000114.3A206 H207 A223 Q224A206-G227 CarbonylContact C-O 3.55Å; H207-G227 PolarHBondContact N-O 3.32Å; A223-G227 PolarHBondContact O-N 3.17Å; Q224-G227 PolarHBondContact O-N 2.92Å
228M98.7Very high97.3Very high9 Ų925.2 Ų25.24%0.04413%0.127CC..  trans-85.5160.4170.6-58.9172.56100111.1L15 F195 L199 A206 A209 M211 A223 Q224L15-M228 HydrophobicContact CB-CE 4.16Å; L15-M228 HydrophobicContact CD1-CE 3.49Å; L15-M228 VanDerWaalsContact CD1-CE 3.49Å; L15-M228 HydrophobicContact CD1-SD 3.92Å; L15-M228 HydrophobicContact CG-CE 3.61Å; F195-M228 HydrophobicContact CB-SD 4.41Å; F195-M228 HydrophobicContact CD1-SD 4.13Å; L199-M228 HydrophobicContact CD1-CG 4.18Å; L199-M228 HydrophobicContact CD1-SD 4Å; L199-M228 HydrophobicContact CD2-CE 4.3Å; L199-M228 HydrophobicContact CD2-SD 4.22Å; L199-M228 HydrophobicContact CG-SD 4.3Å; A206-M228 HydrophobicContact CB-CG 3.87Å; A206-M228 WeakPolarHBondContact O-CA 3.35Å; A209-M228 HydrophobicContact CB-CE 3.82Å; A209-M228 HydrophobicContact CB-CG 4.33Å; M211-M228 HydrophobicContact CB-CE 3.88Å; A223-M228 HydrophobicContact CB-CB 4.05Å; A223-M228 HydrophobicContact CB-CE 4.34Å; A223-M228 HydrophobicContact CB-SD 3.95Å; A223-M228 WeakPolarHBondContact O-CB 3.3Å; A223-M228 PolarHBondContact O-N 3.5Å; A223-M228 VanDerWaalsContact O-N 3.11Å; Q224-M228 WeakPolarHBondContact CA-O 3.42Å
229R98.5Very high97.3Very high39 Ų3929.8 Ų29.815%0.14714%0.141CC..EExtended strand (participates in β ladder)trans-79.5156.9158.5-74.7164.6-81.9-168.6-7.1109.8R7 A9 H207 A209 V210 M211 D251R7-R229 WeakPolarHBondContact O-CD 3.07Å; R7-R229 PolarHBondContact O-NH1 3.43Å; A9-R229 PolarHBondContact O-NH1 2.98Å; A9-R229 PolarHBondContact O-NH2 3.36Å; A9-R229 VanDerWaalsContact O-NH2 3.08Å; H207-R229 PolarHBondContact O-NH2 3.01Å; A209-R229 PolarHBondContact O-N 3.36Å; A209-R229 VanDerWaalsContact O-N 3.15Å; V210-R229 CarbonylContact C-O 3.56Å; V210-R229 VanDerWaalsContact CA-O 3.26Å; V210-R229 WeakPolarHBondContact CA-O 3.42Å; V210-R229 HydrophobicContact CB-CB 4.33Å; V210-R229 HydrophobicContact CG2-CB 4.07Å; M211-R229 PolarHBondContact N-O 3.43Å; R229-D251 WeakPolarHBondContact CA-OD2 3.37Å; R229-D251 HydrophobicContact CB-CB 4.44Å
230A98.8Very high97.2Very high0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-146.2137.1174.400000113.9M211 V220 A223 Q224 D251M211-A230 HydrophobicContact CB-CB 4.11Å; M211-A230 CarbonylContact O-C 3.56Å; M211-A230 VanDerWaalsContact O-CA 3.23Å; M211-A230 WeakPolarHBondContact O-CA 3.07Å; V220-A230 HydrophobicContact CB-CB 4.07Å; V220-A230 HydrophobicContact CG1-CB 3.79Å; V220-A230 HydrophobicContact CG2-CB 4.28Å; A223-A230 HydrophobicContact CB-CB 4.18Å; Q224-A230 HydrophobicContact CG-CB 4.17Å; A230-D251 PolarHBondContact N-OD2 3.24Å; A230-D251 WeakPolarHBondContact O-CB 3.44Å; A230-D251 PolarHBondContact O-N 2.94Å
231L98.8Very high97.1Very high1 Ų138 Ų381%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-108.6129.5175.3-53.6-178.2000109.9W4 L8 V210 M211 I212 G213 G252 A260W4-L231 HydrophobicContact CH2-CD2 4.19Å; W4-L231 HydrophobicContact CZ3-CD2 3.78Å; L8-L231 HydrophobicContact CD2-CD1 4.39Å; V210-L231 HydrophobicContact CG2-CD1 4.34Å; V210-L231 HydrophobicContact CG2-CG 3.87Å; M211-L231 PolarHBondContact O-N 2.86Å; I212-L231 WeakPolarHBondContact CA-O 3.48Å; I212-L231 HydrophobicContact CG1-CB 4.37Å; I212-L231 HydrophobicContact CG1-CD1 4.45Å; G213-L231 PolarHBondContact N-O 2.83Å; L231-G252 WeakPolarHBondContact CA-O 3.38Å; L231-A260 HydrophobicContact CD1-CB 4.33Å
232Q98.7Very high96.9Very high0 Ų038.8 Ų38.80%020%0.2CC..EExtended strand (participates in β ladder)trans-88.1126.9171.5174.866.955.800109.1D214 I216 V220 F238 A250 G252 Y253 V254D214-Q232 VanDerWaalsContact C-NE2 3.28Å; D214-Q232 PolarHBondContact O-NE2 2.87Å; I216-Q232 VanDerWaalsContact CA-OE1 3.23Å; I216-Q232 HydrophobicContact CD1-CB 4.49Å; I216-Q232 HydrophobicContact CD1-CG 4.48Å; V220-Q232 HydrophobicContact CG2-CB 4.06Å; Q232-F238 HydrophobicContact CG-CD2 4.01Å; Q232-F238 HydrophobicContact CG-CE2 4.31Å; Q232-A250 HydrophobicContact CB-CB 3.99Å; Q232-G252 PolarHBondContact N-O 2.76Å; Q232-Y253 HydrophobicContact CB-CD1 3.59Å; Q232-Y253 HydrophobicContact CB-CE1 3.83Å; Q232-Y253 HydrophobicContact CB-CG 4.49Å; Q232-Y253 HydrophobicContact CG-CD1 3.78Å; Q232-Y253 HydrophobicContact CG-CE1 4Å; Q232-Y253 WeakPolarHBondContact O-CA 3.39Å; Q232-V254 PolarHBondContact O-N 3.48Å
233V98.6Very high96.8Very high0 Ų041.6 Ų41.60%021%0.213CC..EExtended strand (participates in β ladder)trans-85.8155169.8-58.30000111.4V21 I212 G213 D214 T235 V254V21-V233 HydrophobicContact CG2-CG2 3.94Å; I212-V233 HydrophobicContact CG2-CG1 3.57Å; G213-V233 PolarHBondContact O-N 3.25Å; D214-V233 HydrophobicContact CB-CG2 3.78Å; V233-T235 VanDerWaalsContact CG2-OG1 3.26Å; V233-T235 WeakPolarHBondContact CG2-OG1 3.41Å; V233-V254 CarbonylContact C-O 3.5Å; V233-V254 VanDerWaalsContact CA-O 3.26Å; V233-V254 WeakPolarHBondContact CA-O 3.49Å; V233-V254 HydrophobicContact CG1-CG2 3.95Å
234R98.1Very high96.7Very high86 Ų8648.7 Ų48.733%0.32525%0.246SC..SBendtrans-93.37.9172.6-58.9-174.9-177.886.59.9114.1F238 E243 Y253 V254 D255R234-F238 HydrophobicContact CB-CD1 3.8Å; R234-F238 HydrophobicContact CB-CE1 3.87Å; R234-F238 HydrophobicContact CB-CG 4.28Å; R234-F238 HydrophobicContact CB-CZ 4.4Å; R234-F238 HydrophobicContact CG-CD1 4.11Å; R234-F238 HydrophobicContact CG-CE1 3.75Å; R234-F238 HydrophobicContact CG-CE2 4.23Å; R234-F238 HydrophobicContact CG-CG 4.49Å; R234-F238 HydrophobicContact CG-CZ 3.81Å; R234-E243 IonicContact CZ-OE1 3.67Å; R234-E243 IonicContact NE-OE1 3.84Å; R234-E243 PolarHBondContact NE-OE1 3.26Å; R234-E243 IonicContact NH2-OE1 2.69Å; R234-E243 PolarHBondContact NH2-OE1 2.9Å; R234-Y253 VanDerWaalsContact NH2-CB 3.27Å; R234-V254 WeakPolarHBondContact CG-O 3.26Å; R234-V254 PolarHBondContact N-O 2.87Å; R234-D255 WeakPolarHBondContact CD-OD1 3.44Å; R234-D255 IonicContact CZ-OD1 2.69Å; R234-D255 PolarHBondContact N-O 2.85Å; R234-D255 IonicContact NE-OD1 3.68Å; R234-D255 IonicContact NH1-OD1 2.88Å; R234-D255 PolarHBondContact NH1-OD1 3.42Å
235T96.6Very high96.6Very high28 Ų2847.8 Ų47.817%0.17224%0.242CC..SBendtrans-89.5179.6171.149.90000111.3G20 I33 V233 F238 D255 N256G20-T235 CarbonylContact O-C 3.5Å; G20-T235 VanDerWaalsContact O-CB 3.26Å; G20-T235 WeakPolarHBondContact O-CB 3.26Å; G20-T235 PolarHBondContact O-OG1 3.07Å; I33-T235 HydrophobicContact CG2-CG2 3.74Å; V233-T235 VanDerWaalsContact CG2-OG1 3.26Å; V233-T235 WeakPolarHBondContact CG2-OG1 3.41Å; T235-F238 WeakPolarHBondContact O-CB 3.45Å; T235-F238 PolarHBondContact O-N 3.5Å; T235-D255 WeakPolarHBondContact CG2-O 3.45Å; T235-N256 HydrophobicContact CG2-CB 3.82Å
236G94.1Very high96.5Very high5 Ų546.1 Ų46.15%0.05225%0.251CS..THydrogen-bonded Turntrans65.6-136.8177.400000113.6G20 K160 D214 F238G20-G236 PolarHBondContact O-N 3.49Å; K160-G236 WeakPolarHBondContact CD-O 3.43Å; K160-G236 PolarHBondContact NZ-O 2.76Å; D214-G236 WeakPolarHBondContact OD2-CA 3.46Å; G236-F238 VanDerWaalsContact C-N 3.28Å; G236-F238 PolarHBondContact O-N 2.69Å
237K91.8Very high96.4Very high30 Ų3052.3 Ų52.313%0.1328%0.277CS..THydrogen-bonded Turntrans-81.9-0.4-177.178.8-168156.7-165.20114.6K160 D214 D215K160-K237 HydrophobicContact CB-CB 4.26Å; D214-K237 WeakPolarHBondContact OD1-CE 3.19Å; D214-K237 IonicContact OD1-NZ 2.75Å; D214-K237 WeakPolarHBondContact OD2-CG 3.25Å; D214-K237 PolarHBondContact OD2-N 3.19Å; D215-K237 VanDerWaalsContact CB-NZ 3.28Å; D215-K237 VanDerWaalsContact CG-NZ 3.3Å; D215-K237 WeakPolarHBondContact OD2-CE 3.45Å; D215-K237 IonicContact OD2-NZ 3.15Å; D215-K237 PolarHBondContact OD2-NZ 2.99Å
238F95Very high96.4Very high35 Ų3550.3 Ų50.315%0.15426%0.255CS..  trans-48.5140.5178.3169.3-94.6000112.3Q232 R234 T235 G236 D242 E243Q232-F238 HydrophobicContact CG-CD2 4.01Å; Q232-F238 HydrophobicContact CG-CE2 4.31Å; R234-F238 HydrophobicContact CB-CD1 3.8Å; R234-F238 HydrophobicContact CB-CE1 3.87Å; R234-F238 HydrophobicContact CB-CG 4.28Å; R234-F238 HydrophobicContact CB-CZ 4.4Å; R234-F238 HydrophobicContact CG-CD1 4.11Å; R234-F238 HydrophobicContact CG-CE1 3.75Å; R234-F238 HydrophobicContact CG-CE2 4.23Å; R234-F238 HydrophobicContact CG-CG 4.49Å; R234-F238 HydrophobicContact CG-CZ 3.81Å; T235-F238 WeakPolarHBondContact O-CB 3.45Å; T235-F238 PolarHBondContact O-N 3.5Å; G236-F238 VanDerWaalsContact C-N 3.28Å; G236-F238 PolarHBondContact O-N 2.69Å; F238-D242 HydrophobicContact CD2-CB 4.08Å; F238-D242 HydrophobicContact CE2-CB 4.13Å; F238-E243 HydrophobicContact CE2-CG 3.66Å; F238-E243 HydrophobicContact CZ-CG 3.64Å
239R93.6Very high96.4Very high105 Ų10557.8 Ų57.840%0.39629%0.288SS..  trans-129.5153169.5-64.1178.3177.7-167.52110.1S241 D242R239-S241 PolarHBondContact O-N 3.22Å; R239-D242 PolarHBondContact N-OD2 3.42Å; R239-D242 VanDerWaalsContact O-CB 3.26Å; R239-D242 WeakPolarHBondContact O-CB 3.3Å; R239-D242 PolarHBondContact O-N 3.29Å
240P95.9Very high96.4Very high102 Ų10256.4 Ų56.466%0.66229%0.285SS*.G310 helixtrans-55.4-25.2178.1-2835.6000115.2D242 H244P240-D242 PolarHBondContact O-N 3.48Å; P240-H244 PolarHBondContact O-ND1 3.16Å
241S95.3Very high96.4Very high74 Ų7459 Ų5952%0.51730%0.299SS..G310 helixtrans-63.5-25.9173.551.70000113.5R239 E243 H244 H245R239-S241 PolarHBondContact O-N 3.22Å; S241-E243 VanDerWaalsContact C-N 3.31Å; S241-E243 PolarHBondContact O-N 2.81Å; S241-H244 CarbonylContact O-C 3.44Å; S241-H244 VanDerWaalsContact O-C 3.27Å; S241-H244 PolarHBondContact O-N 3.43Å; S241-H245 PolarHBondContact O-N 3.36Å; S241-H245 VanDerWaalsContact O-N 3.16Å
242D94.3Very high96.3Very high18 Ų1859 Ų5910%0.09630%0.298CS..G310 helixtrans-73.2-25.2-174.9-57.5-26.5000111.8I216 F238 R239 P240 H244 H245I216-D242 HydrophobicContact CB-CB 4.12Å; I216-D242 HydrophobicContact CG1-CB 4.42Å; I216-D242 HydrophobicContact CG2-CB 4.11Å; F238-D242 HydrophobicContact CD2-CB 4.08Å; F238-D242 HydrophobicContact CE2-CB 4.13Å; R239-D242 PolarHBondContact N-OD2 3.42Å; R239-D242 VanDerWaalsContact O-CB 3.26Å; R239-D242 WeakPolarHBondContact O-CB 3.3Å; R239-D242 PolarHBondContact O-N 3.29Å; P240-D242 PolarHBondContact O-N 3.48Å; D242-H244 PolarHBondContact O-N 3.38Å; D242-H245 WeakPolarHBondContact O-CB 3.44Å; D242-H245 PolarHBondContact O-N 3.07Å
243E95.4Very high96.3Very high59 Ų5960.1 Ų60.128%0.27630%0.303SS..G310 helixtrans-67.9-23169.8-58.7-163.8160.800113.1R234 F238 S241 Y253R234-E243 IonicContact CZ-OE1 3.67Å; R234-E243 IonicContact NE-OE1 3.84Å; R234-E243 PolarHBondContact NE-OE1 3.26Å; R234-E243 IonicContact NH2-OE1 2.69Å; R234-E243 PolarHBondContact NH2-OE1 2.9Å; F238-E243 HydrophobicContact CE2-CG 3.66Å; F238-E243 HydrophobicContact CZ-CG 3.64Å; S241-E243 VanDerWaalsContact C-N 3.31Å; S241-E243 PolarHBondContact O-N 2.81Å; E243-Y253 HydrophobicContact CB-CD1 4.35Å; E243-Y253 HydrophobicContact CB-CE1 4.09Å; E243-Y253 HydrophobicContact CG-CD1 3.75Å; E243-Y253 HydrophobicContact CG-CE1 3.94Å; E243-Y253 HydrophobicContact CG-CG 4.34Å; E243-Y253 PolarHBondContact O-OH 3.4Å
244H95.9Very high96.3Very high150 Ų15060.1 Ų60.169%0.69430%0.303SS*.G310 helixtrans-113.124.3-179.2-56.189.1000111P240 S241 D242P240-H244 PolarHBondContact O-ND1 3.16Å; S241-H244 CarbonylContact O-C 3.44Å; S241-H244 VanDerWaalsContact O-C 3.27Å; S241-H244 PolarHBondContact O-N 3.43Å; D242-H244 PolarHBondContact O-N 3.38Å
245H96.4Very high96.4Very high35 Ų3560.3 Ų60.316%0.16231%0.31CS..  trans-57.9132.6-178.4-170.1-85.4000110.2I216 S241 D242 E247 V248I216-H245 HydrophobicContact CG1-CB 3.96Å; S241-H245 PolarHBondContact O-N 3.36Å; S241-H245 VanDerWaalsContact O-N 3.16Å; D242-H245 WeakPolarHBondContact O-CB 3.44Å; D242-H245 PolarHBondContact O-N 3.07Å; H245-E247 VanDerWaalsContact C-N 3.27Å; H245-E247 PolarHBondContact ND1-N 3.45Å; H245-E247 PolarHBondContact O-N 3Å; H245-V248 PolarHBondContact ND1-N 3.36Å
246P96.2Very high96.5Very high119 Ų11961 Ų6177%0.77331%0.313SS*.SBendtrans-66.8-27.1-169.324.3-34.8000113.7
247E96.5Very high96.7Very high156 Ų15660.8 Ų60.873%0.72931%0.311SS*.SBendtrans-111-20.1-173.5-61.1-177.1170.500114.5H245H245-E247 VanDerWaalsContact C-N 3.27Å; H245-E247 PolarHBondContact ND1-N 3.45Å; H245-E247 PolarHBondContact O-N 3Å
248V97.8Very high97Very high5 Ų560.1 Ų60.13%0.0331%0.311CS..  trans-128127-170.8-175.80000108.5I216 V220 H245I216-V248 HydrophobicContact CD1-CB 4.47Å; I216-V248 HydrophobicContact CD1-CG1 4.05Å; I216-V248 HydrophobicContact CG1-CB 4.16Å; I216-V248 HydrophobicContact CG1-CG1 4.19Å; I216-V248 WeakPolarHBondContact O-CG1 3.32Å; V220-V248 HydrophobicContact CB-CG1 4.44Å; V220-V248 HydrophobicContact CG1-CG1 3.91Å; H245-V248 PolarHBondContact ND1-N 3.36Å
249K98Very high97.2Very high167 Ų16761.2 Ų61.273%0.72632%0.316SS*.  trans-122.5113.3174.1-68.7-178.8179.1178.60107.5Q224Q224-K249 PolarHBondContact NE2-O 2.83Å; Q224-K249 PolarHBondContact OE1-O 2.96Å
250A98.4Very high97.4Very high10 Ų1056.2 Ų56.28%0.08330%0.298CS..  trans-62.3153.6178.100000110.7V220 Q232 G252 Y253V220-A250 HydrophobicContact CG1-CB 3.67Å; Q232-A250 HydrophobicContact CB-CB 3.99Å; A250-G252 WeakPolarHBondContact CB-O 3.32Å; A250-G252 PolarHBondContact O-N 3.29Å; A250-Y253 HydrophobicContact CB-CD1 4.37Å; A250-Y253 HydrophobicContact CB-CD2 4.4Å; A250-Y253 HydrophobicContact CB-CE1 3.88Å; A250-Y253 HydrophobicContact CB-CE2 3.91Å; A250-Y253 PolarHBondContact N-OH 3.01Å
251D98.4Very high97.5Very high54 Ų5451.4 Ų51.429%0.28927%0.266SS..SBendtrans-66.3-23.6171.7-62.6-88.2000110.8R7 Q224 R229 A230R7-D251 WeakPolarHBondContact CD-O 3.22Å; R7-D251 PolarHBondContact NH1-O 3.23Å; Q224-D251 PolarHBondContact NE2-OD2 3.47Å; R229-D251 WeakPolarHBondContact CA-OD2 3.37Å; R229-D251 HydrophobicContact CB-CB 4.44Å; A230-D251 PolarHBondContact N-OD2 3.24Å; A230-D251 WeakPolarHBondContact O-CB 3.44Å; A230-D251 PolarHBondContact O-N 2.94Å
252G98.3Very high97.7Very high0 Ų051.6 Ų51.60%026%0.261CS..EExtended strand (participates in β ladder)trans-166.7163168.700000112.7L231 Q232 A250L231-G252 WeakPolarHBondContact CA-O 3.38Å; Q232-G252 PolarHBondContact N-O 2.76Å; A250-G252 WeakPolarHBondContact CB-O 3.32Å; A250-G252 PolarHBondContact O-N 3.29Å
253Y98.5Very high97.8Very high25 Ų2551.5 Ų51.510%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-122.4130.1177.4-60.2-93.4000108M1 I216 Q232 R234 E243 A250M1-Y253 HydrophobicContact CE-CD2 4.37Å; I216-Y253 HydrophobicContact CD1-CE1 4.42Å; Q232-Y253 HydrophobicContact CB-CD1 3.59Å; Q232-Y253 HydrophobicContact CB-CE1 3.83Å; Q232-Y253 HydrophobicContact CB-CG 4.49Å; Q232-Y253 HydrophobicContact CG-CD1 3.78Å; Q232-Y253 HydrophobicContact CG-CE1 4Å; Q232-Y253 WeakPolarHBondContact O-CA 3.39Å; R234-Y253 VanDerWaalsContact NH2-CB 3.27Å; E243-Y253 HydrophobicContact CB-CD1 4.35Å; E243-Y253 HydrophobicContact CB-CE1 4.09Å; E243-Y253 HydrophobicContact CG-CD1 3.75Å; E243-Y253 HydrophobicContact CG-CE1 3.94Å; E243-Y253 HydrophobicContact CG-CG 4.34Å; E243-Y253 PolarHBondContact O-OH 3.4Å; A250-Y253 HydrophobicContact CB-CD1 4.37Å; A250-Y253 HydrophobicContact CB-CD2 4.4Å; A250-Y253 HydrophobicContact CB-CE1 3.88Å; A250-Y253 HydrophobicContact CB-CE2 3.91Å; A250-Y253 PolarHBondContact N-OH 3.01Å
254V98.6Very high97.9Very high0 Ų048.7 Ų48.70%025%0.248CC..EExtended strand (participates in β ladder)trans-132.6149.6-175.7-65.10000109.1W4 Q232 V233 R234 N256 E259 A260 L263W4-V254 HydrophobicContact CH2-CG1 3.89Å; W4-V254 HydrophobicContact CZ2-CG1 4.17Å; Q232-V254 PolarHBondContact O-N 3.48Å; V233-V254 CarbonylContact C-O 3.5Å; V233-V254 VanDerWaalsContact CA-O 3.26Å; V233-V254 WeakPolarHBondContact CA-O 3.49Å; V233-V254 HydrophobicContact CG1-CG2 3.95Å; R234-V254 WeakPolarHBondContact CG-O 3.26Å; R234-V254 PolarHBondContact N-O 2.87Å; V254-N256 PolarHBondContact O-N 3.32Å; V254-E259 WeakPolarHBondContact CA-OE2 3.26Å; V254-E259 HydrophobicContact CB-CB 4.39Å; V254-E259 HydrophobicContact CB-CG 4.38Å; V254-E259 HydrophobicContact CG1-CG 4.43Å; V254-A260 HydrophobicContact CG2-CB 3.96Å; V254-L263 HydrophobicContact CG1-CD1 3.78Å
255D98.4Very high97.9Very high89 Ų8943.4 Ų43.448%0.47622%0.224SC..SBendtrans-65.6-40.4-176.8-72.2-16.5000111.5R234 T235 E259R234-D255 WeakPolarHBondContact CD-OD1 3.44Å; R234-D255 IonicContact CZ-OD1 2.69Å; R234-D255 PolarHBondContact N-O 2.85Å; R234-D255 IonicContact NE-OD1 3.68Å; R234-D255 IonicContact NH1-OD1 2.88Å; R234-D255 PolarHBondContact NH1-OD1 3.42Å; T235-D255 WeakPolarHBondContact CG2-O 3.45Å; D255-E259 WeakPolarHBondContact CB-OE2 3.33Å; D255-E259 PolarHBondContact N-OE2 2.79Å
256N98.7Very high97.8Very high43 Ų4347.4 Ų47.423%0.2324%0.243CC..SBendtrans-158.8-177.8179.959.537.1000111.5T235 V254 A258 E259 A260T235-N256 HydrophobicContact CG2-CB 3.82Å; V254-N256 PolarHBondContact O-N 3.32Å; N256-A258 VanDerWaalsContact C-N 3.29Å; N256-A258 PolarHBondContact O-N 2.81Å; N256-A258 WeakPolarHBondContact OD1-CA 3.26Å; N256-A258 WeakPolarHBondContact OD1-CB 3.37Å; N256-A258 PolarHBondContact OD1-N 3.46Å; N256-E259 PolarHBondContact OD1-N 3.47Å; N256-A260 PolarHBondContact O-N 2.67Å
257L98.8Very high97.5Very high0 Ų043.9 Ų43.90%022%0.216CC..Hα-helixtrans-62.2-34.4177-178.661.8000112.8L16 V21 L22 A39 V40 I212 A260 V261L16-L257 HydrophobicContact CD2-CD1 3.66Å; V21-L257 HydrophobicContact CG1-CB 4.07Å; V21-L257 HydrophobicContact CG1-CD1 4.12Å; V21-L257 HydrophobicContact CG1-CD2 4.28Å; V21-L257 HydrophobicContact CG1-CG 4.38Å; L22-L257 HydrophobicContact CD1-CD2 3.95Å; A39-L257 HydrophobicContact CB-CD2 4.08Å; A39-L257 HydrophobicContact CB-CG 3.85Å; V40-L257 HydrophobicContact CG2-CD2 3.95Å; I212-L257 HydrophobicContact CD1-CD1 4.09Å; I212-L257 HydrophobicContact CG2-CD1 4.26Å; L257-A260 WeakPolarHBondContact O-CB 3.44Å; L257-A260 PolarHBondContact O-N 3.48Å; L257-V261 HydrophobicContact CD1-CG2 4.06Å; L257-V261 HydrophobicContact CG-CG2 4.24Å; L257-V261 WeakPolarHBondContact O-CG2 3.5Å; L257-V261 PolarHBondContact O-N 2.96Å
258A98.7Very high96.4Very high16 Ų1637.6 Ų37.613%0.13219%0.189CC..Hα-helixtrans-62.7-45.9-178.400000111.7A39 R42 N256 A260 V261 D262A39-A258 HydrophobicContact CB-CB 4.41Å; R42-A258 PolarHBondContact NH2-O 3.46Å; N256-A258 VanDerWaalsContact C-N 3.29Å; N256-A258 PolarHBondContact O-N 2.81Å; N256-A258 WeakPolarHBondContact OD1-CA 3.26Å; N256-A258 WeakPolarHBondContact OD1-CB 3.37Å; N256-A258 PolarHBondContact OD1-N 3.46Å; A258-A260 VanDerWaalsContact C-N 3.34Å; A258-A260 PolarHBondContact O-N 3.01Å; A258-V261 PolarHBondContact O-N 3.35Å; A258-D262 VanDerWaalsContact O-CG 3.27Å; A258-D262 PolarHBondContact O-N 3.37Å
259E98.7Very high94.6Very high59 Ų5942.3 Ų42.328%0.27621%0.214SC..Hα-helixtrans-61.6-42.4174-174.5-169.7172.200111.4V254 D255 N256 V261 D262 L263V254-E259 WeakPolarHBondContact CA-OE2 3.26Å; V254-E259 HydrophobicContact CB-CB 4.39Å; V254-E259 HydrophobicContact CB-CG 4.38Å; V254-E259 HydrophobicContact CG1-CG 4.43Å; D255-E259 WeakPolarHBondContact CB-OE2 3.33Å; D255-E259 PolarHBondContact N-OE2 2.79Å; N256-E259 PolarHBondContact OD1-N 3.47Å; E259-V261 VanDerWaalsContact C-N 3.27Å; E259-V261 PolarHBondContact O-N 2.64Å; E259-D262 PolarHBondContact O-N 3.32Å; E259-L263 HydrophobicContact CG-CD1 4.17Å; E259-L263 WeakPolarHBondContact O-CG 3.26Å; E259-L263 PolarHBondContact O-N 2.91Å
260A98.6Very high92.3Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-58.5-42177.800000111.9I212 L231 V254 N256 L257 A258 L264I212-A260 HydrophobicContact CD1-CB 3.82Å; I212-A260 HydrophobicContact CG2-CB 4.48Å; L231-A260 HydrophobicContact CD1-CB 4.33Å; V254-A260 HydrophobicContact CG2-CB 3.96Å; N256-A260 PolarHBondContact O-N 2.67Å; L257-A260 WeakPolarHBondContact O-CB 3.44Å; L257-A260 PolarHBondContact O-N 3.48Å; A258-A260 VanDerWaalsContact C-N 3.34Å; A258-A260 PolarHBondContact O-N 3.01Å; A260-L264 WeakPolarHBondContact O-CB 3.25Å; A260-L264 VanDerWaalsContact O-CG 3.3Å; A260-L264 WeakPolarHBondContact O-CG 3.02Å; A260-L264 PolarHBondContact O-N 3.16Å
261V98.4Very high92Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-70.4-39.4178.2173.30000111.6A39 R42 L43 L257 A258 E259 L263 L264 L265A39-V261 HydrophobicContact CB-CB 4.16Å; A39-V261 HydrophobicContact CB-CG2 3.84Å; R42-V261 HydrophobicContact CB-CG1 4.11Å; L43-V261 HydrophobicContact CD1-CG2 3.53Å; L43-V261 HydrophobicContact CD2-CG1 4.2Å; L43-V261 HydrophobicContact CD2-CG2 3.93Å; L43-V261 HydrophobicContact CG-CB 4.39Å; L43-V261 HydrophobicContact CG-CG1 4Å; L43-V261 HydrophobicContact CG-CG2 3.48Å; L43-V261 VanDerWaalsContact CG-CG2 3.48Å; L257-V261 HydrophobicContact CD1-CG2 4.06Å; L257-V261 HydrophobicContact CG-CG2 4.24Å; L257-V261 WeakPolarHBondContact O-CG2 3.5Å; L257-V261 PolarHBondContact O-N 2.96Å; A258-V261 PolarHBondContact O-N 3.35Å; E259-V261 VanDerWaalsContact C-N 3.27Å; E259-V261 PolarHBondContact O-N 2.64Å; V261-L263 VanDerWaalsContact C-N 3.31Å; V261-L263 PolarHBondContact O-N 3.35Å; V261-L264 PolarHBondContact O-N 3.2Å; V261-L265 HydrophobicContact CG1-CD1 3.77Å; V261-L265 HydrophobicContact CG1-CG 4.1Å; V261-L265 WeakPolarHBondContact O-CG 3.34Å; V261-L265 PolarHBondContact O-N 3.39Å
262D98.2Very high91.6Very high78 Ų7847.2 Ų47.242%0.41723%0.233SC..Hα-helixtrans-56.4-48.2173.7-68.2-17.4000110.8R42 A258 E259 Q266R42-D262 IonicContact CZ-OD1 2.74Å; R42-D262 IonicContact NH1-OD1 2.7Å; R42-D262 PolarHBondContact NH1-OD1 3Å; R42-D262 IonicContact NH2-OD1 2.74Å; R42-D262 PolarHBondContact NH2-OD1 3.29Å; A258-D262 VanDerWaalsContact O-CG 3.27Å; A258-D262 PolarHBondContact O-N 3.37Å; E259-D262 PolarHBondContact O-N 3.32Å; D262-Q266 WeakPolarHBondContact O-CB 3.09Å; D262-Q266 PolarHBondContact O-N 2.74Å
263L97.9Very high91.3Very high17 Ų1749.8 Ų49.89%0.08925%0.246CC..Hα-helixtrans-64.3-42.2178.5-69.5168.7000112.5W4 L8 V254 E259 V261 H267W4-L263 HydrophobicContact CB-CD2 4.23Å; W4-L263 HydrophobicContact CD2-CD1 3.86Å; W4-L263 HydrophobicContact CD2-CD2 4.02Å; W4-L263 HydrophobicContact CD2-CG 4.47Å; W4-L263 HydrophobicContact CE3-CD1 4.17Å; W4-L263 HydrophobicContact CG-CD1 4.46Å; W4-L263 HydrophobicContact CG-CD2 3.74Å; W4-L263 HydrophobicContact CH2-CD1 3.92Å; W4-L263 HydrophobicContact CZ2-CD1 3.6Å; W4-L263 HydrophobicContact CZ3-CD1 4.2Å; L8-L263 HydrophobicContact CD1-CB 3.87Å; V254-L263 HydrophobicContact CG1-CD1 3.78Å; E259-L263 HydrophobicContact CG-CD1 4.17Å; E259-L263 WeakPolarHBondContact O-CG 3.26Å; E259-L263 PolarHBondContact O-N 2.91Å; V261-L263 VanDerWaalsContact C-N 3.31Å; V261-L263 PolarHBondContact O-N 3.35Å; L263-H267 WeakPolarHBondContact O-CB 3.27Å; L263-H267 PolarHBondContact O-CD2 2.86Å; L263-H267 PolarHBondContact O-N 2.74Å
264L97.3Very high90.8Very high0 Ų051.3 Ų51.30%026%0.255CS..Hα-helixtrans-62.1-55.4178.1-78.8167000110.9L8 V11 V14 L43 L48 V210 I212 A260 V261 Q266 H267 T268L8-L264 HydrophobicContact CD1-CD2 4.2Å; L8-L264 HydrophobicContact CD1-CG 4.43Å; L8-L264 HydrophobicContact CD2-CD2 4.13Å; V11-L264 HydrophobicContact CB-CD2 4.42Å; V11-L264 HydrophobicContact CG1-CD2 4.01Å; V14-L264 HydrophobicContact CG2-CD1 3.98Å; L43-L264 HydrophobicContact CD2-CD1 4.35Å; L48-L264 HydrophobicContact CD1-CB 4.22Å; V210-L264 HydrophobicContact CG1-CD1 4.4Å; V210-L264 HydrophobicContact CG1-CD2 4.1Å; I212-L264 HydrophobicContact CD1-CD1 4.03Å; A260-L264 WeakPolarHBondContact O-CB 3.25Å; A260-L264 VanDerWaalsContact O-CG 3.3Å; A260-L264 WeakPolarHBondContact O-CG 3.02Å; A260-L264 PolarHBondContact O-N 3.16Å; V261-L264 PolarHBondContact O-N 3.2Å; L264-Q266 PolarHBondContact O-N 2.92Å; L264-H267 CarbonylContact O-C 3.57Å; L264-H267 PolarHBondContact O-N 2.7Å; L264-T268 HydrophobicContact CD2-CG2 4.13Å; L264-T268 WeakPolarHBondContact O-CB 3.44Å; L264-T268 WeakPolarHBondContact O-CG2 3.41Å; L264-T268 PolarHBondContact O-N 2.69Å; L264-T268 PolarHBondContact O-OG1 3.08Å
265L95.9Very high90.4Very high39 Ų3954.5 Ų54.520%0.20427%0.271CS..Hα-helixtrans-65.4-28.6-177-60.4-178.4000112.4R42 L48 V261 H267R42-L265 HydrophobicContact CB-CD1 4.01Å; L48-L265 HydrophobicContact CD1-CD2 4.26Å; V261-L265 HydrophobicContact CG1-CD1 3.77Å; V261-L265 HydrophobicContact CG1-CG 4.1Å; V261-L265 WeakPolarHBondContact O-CG 3.34Å; V261-L265 PolarHBondContact O-N 3.39Å; L265-H267 VanDerWaalsContact C-N 3.32Å; L265-H267 PolarHBondContact O-N 2.99Å
266Q94.3Very high89.8Confident119 Ų11952.2 Ų52.256%0.55626%0.257SS*.Hα-helixtrans-69.5-28.1173.7-173.1176.115.100113.5D262 L264D262-Q266 WeakPolarHBondContact O-CB 3.09Å; D262-Q266 PolarHBondContact O-N 2.74Å; L264-Q266 PolarHBondContact O-N 2.92Å
267H88.4Confident89.2Confident45 Ų4552.9 Ų52.921%0.20826%0.259CS..Hα-helixtrans-120.7-11.1-167-67.3-55.1000115.5L8 L263 L264 L265L8-H267 HydrophobicContact CB-CB 4.28Å; L263-H267 WeakPolarHBondContact O-CB 3.27Å; L263-H267 PolarHBondContact O-CD2 2.86Å; L263-H267 PolarHBondContact O-N 2.74Å; L264-H267 CarbonylContact O-C 3.57Å; L264-H267 PolarHBondContact O-N 2.7Å; L265-H267 VanDerWaalsContact C-N 3.32Å; L265-H267 PolarHBondContact O-N 2.99Å
268T75Confident88.4Confident24 Ų2456.9 Ų56.915%0.14728%0.279CS..Hα-helixtrans-99.4-15.4175.660.60000114V11 L48 L264 K270V11-T268 HydrophobicContact CB-CG2 3.8Å; V11-T268 HydrophobicContact CG1-CG2 4.39Å; L48-T268 HydrophobicContact CD2-CG2 4.36Å; L264-T268 HydrophobicContact CD2-CG2 4.13Å; L264-T268 WeakPolarHBondContact O-CB 3.44Å; L264-T268 WeakPolarHBondContact O-CG2 3.41Å; L264-T268 PolarHBondContact O-N 2.69Å; L264-T268 PolarHBondContact O-OG1 3.08Å; T268-K270 VanDerWaalsContact C-N 3.32Å
269D58.8Low87.6Confident104 Ų10460.3 Ų60.356%0.55629%0.291SS*.  trans-88.78.2178.6-77-22.6000113.9
270K49.8Very low86.6Confident239 Ų23960.5 Ų60.5100%1.03929%0.292SS*.  trans-104.80172-69.2-173-179.6-177.40111T268T268-K270 VanDerWaalsContact C-N 3.32Å

Retrieved 270 of 270 residues in 58.6 ms (Link to these results)

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