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Protein O glucosyltransferase 1

Protein O-glucosyltransferase. Catalyzes the reaction that attaches glucose through an O-glycosidic linkage to a conserved serine residue found in the consensus sequence C-X-S-X-[PA]-C in epidermal growth factor-like repeats. Regulates Notch signaling by glucosylating Notch in the ER, glucosylation is required for the correct folding and cleavage of Notch.

AlphaFold DB , UniProt , Accession A0A077Z689, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.5Very low44.9Very low246 Ų246115.9 Ų115.9100%1.21263%0.628SS**  087.40-62.5178.2-143.600107.9
2S27.5Very low48.5Very low116 Ų116112.6 Ų112.681%0.81162%0.62SS**  trans-102.3123.1167.157.40000107.2G4S2-G4 PolarHBondContact O-N 3.37Å; S2-G4 VanDerWaalsContact O-N 3.14Å
3Y30.7Very low51.9Low230 Ų230104.1 Ų104.190%0.90257%0.573SS**  trans-60.5114.4171.8-84.3-100.8000108.1Q5Y3-Q5 PolarHBondContact O-N 3.35Å; Y3-Q5 VanDerWaalsContact O-N 3.07Å
4G29.3Very low55Low71 Ų7196.6 Ų96.673%0.73253%0.532SS*.  trans-63.5106.7172.300000109.1S2 T6S2-G4 PolarHBondContact O-N 3.37Å; S2-G4 VanDerWaalsContact O-N 3.14Å; G4-T6 PolarHBondContact O-N 3.24Å
5Q33.1Very low57.6Low185 Ų18595.9 Ų95.986%0.86452%0.523SS*.  trans-61.8109165.3-79.9179.1-37.600107.5Y3 I7Y3-Q5 PolarHBondContact O-N 3.35Å; Y3-Q5 VanDerWaalsContact O-N 3.07Å; Q5-I7 PolarHBondContact O-N 3.16Å
6T36.1Very low59.9Low128 Ų12896.3 Ų96.379%0.78551%0.514SS*.  trans-49.8120.9169-4.70000108.3G4 V8G4-T6 PolarHBondContact O-N 3.24Å; T6-V8 PolarHBondContact O-N 2.97Å
7I50.5Low62Low74 Ų7491.5 Ų91.538%0.37949%0.489SS..  trans-60.1103.2175.2-59.1172.6000106.4Q5 C9 D296Q5-I7 PolarHBondContact O-N 3.16Å; I7-C9 PolarHBondContact O-N 3.01Å; I7-C9 PolarHBondContact O-SG 3.25Å; I7-C9 VanDerWaalsContact O-SG 3.33Å; I7-D296 WeakPolarHBondContact CG2-OD1 3.36Å
8V54.7Low63.9Low114 Ų11487 Ų8769%0.69147%0.465SS*.  trans-75.381.2172.1-175.60000106T6 F11T6-V8 PolarHBondContact O-N 2.97Å; V8-F11 HydrophobicContact CG1-CD2 4.34Å
9C62.9Low65.6Low9 Ų990.6 Ų90.66%0.06147%0.471CS..  trans-52.1142.6172-46.40000107.2I7 F11 C299I7-C9 PolarHBondContact O-N 3.01Å; I7-C9 PolarHBondContact O-SG 3.25Å; I7-C9 VanDerWaalsContact O-SG 3.33Å; C9-F11 VanDerWaalsContact C-N 3.26Å; C9-F11 HydrophobicContact CB-CE2 4.24Å; C9-F11 HydrophobicContact CB-CZ 4.45Å; C9-F11 WeakPolarHBondContact O-CD2 3.38Å; C9-F11 WeakPolarHBondContact O-CE2 3.43Å; C9-F11 WeakPolarHBondContact O-CG 3.48Å; C9-F11 PolarHBondContact O-N 3.14Å; C9-C299 HydrophobicContact CB-CB 4Å; C9-C299 WeakPolarHBondContact CB-SG 3.3Å; C9-C299 WeakPolarHBondContact SG-CB 3.27Å; C9-C299 CovalentContact SG-SG 2.01Å; C9-C299 PolarHBondContact SG-SG 3.37Å
10T63.1Low67.1Low10 Ų1089.9 Ų89.96%0.06147%0.472CS..  trans-76.576.1-15769.40000111.7S12 Y300T10-S12 VanDerWaalsContact C-N 3.34Å; T10-S12 PolarHBondContact O-N 2.99Å; T10-Y300 WeakPolarHBondContact OG1-CD2 3.48Å; T10-Y300 WeakPolarHBondContact OG1-CE2 3.2Å
11F75.4Confident68.5Low92 Ų9287.2 Ų87.240%0.40446%0.457SS..Hα-helixtrans-65-33.7-165.5-75.5-79000112.9V8 C9 V13 I14 E15 T303V8-F11 HydrophobicContact CG1-CD2 4.34Å; C9-F11 VanDerWaalsContact C-N 3.26Å; C9-F11 HydrophobicContact CB-CE2 4.24Å; C9-F11 HydrophobicContact CB-CZ 4.45Å; C9-F11 WeakPolarHBondContact O-CD2 3.38Å; C9-F11 WeakPolarHBondContact O-CE2 3.43Å; C9-F11 WeakPolarHBondContact O-CG 3.48Å; C9-F11 PolarHBondContact O-N 3.14Å; F11-V13 VanDerWaalsContact C-N 3.28Å; F11-V13 PolarHBondContact O-N 3.29Å; F11-I14 PolarHBondContact O-N 3.34Å; F11-E15 VanDerWaalsContact O-CG 3.24Å; F11-E15 WeakPolarHBondContact O-CG 3.46Å; F11-E15 PolarHBondContact O-N 3.2Å; F11-T303 HydrophobicContact CD1-CG2 3.85Å; F11-T303 HydrophobicContact CE1-CG2 3.43Å; F11-T303 VanDerWaalsContact CE1-CG2 3.43Å; F11-T303 HydrophobicContact CZ-CG2 4.24Å
12S88.6Confident71.6Confident76 Ų7681.8 Ų81.853%0.53143%0.429SS..Hα-helixtrans-63.7-31-172.161.90000114T10 R16T10-S12 VanDerWaalsContact C-N 3.34Å; T10-S12 PolarHBondContact O-N 2.99Å; S12-R16 WeakPolarHBondContact O-CB 3.38Å; S12-R16 PolarHBondContact O-N 3.05Å
13V92.8Very high74.9Confident2 Ų285.3 Ų85.31%0.01243%0.429CS..Hα-helixtrans-75.2-46177.5176.40000110.6F11 E15 R16 D17 M103 F242 S245 Y300F11-V13 VanDerWaalsContact C-N 3.28Å; F11-V13 PolarHBondContact O-N 3.29Å; V13-E15 VanDerWaalsContact C-N 3.3Å; V13-E15 PolarHBondContact O-N 3.33Å; V13-R16 PolarHBondContact O-N 3.08Å; V13-D17 WeakPolarHBondContact O-CB 3.21Å; V13-D17 VanDerWaalsContact O-CG 3.25Å; V13-D17 PolarHBondContact O-N 3.23Å; V13-M103 HydrophobicContact CG1-CE 3.62Å; V13-F242 WeakPolarHBondContact CG2-O 3.5Å; V13-S245 WeakPolarHBondContact CG2-OG 3.36Å; V13-Y300 WeakPolarHBondContact CG1-OH 3.44Å
14I95.3Very high78Confident0 Ų074.8 Ų74.80%039%0.391CS..Hα-helixtrans-57.1-46.6175.3-62.5171.6000110.2F11 R16 D17 L18 Y300 T303 L304F11-I14 PolarHBondContact O-N 3.34Å; I14-R16 PolarHBondContact O-N 2.9Å; I14-D17 PolarHBondContact O-N 3.45Å; I14-L18 HydrophobicContact CG2-CD1 3.63Å; I14-L18 HydrophobicContact CG2-CG 4.15Å; I14-L18 VanDerWaalsContact O-CB 3.28Å; I14-L18 WeakPolarHBondContact O-CB 3.48Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.44Å; I14-L18 PolarHBondContact O-N 2.9Å; I14-Y300 HydrophobicContact CD1-CD1 4.46Å; I14-Y300 HydrophobicContact CD1-CD2 3.92Å; I14-Y300 HydrophobicContact CD1-CE1 4.31Å; I14-Y300 HydrophobicContact CD1-CE2 3.73Å; I14-Y300 HydrophobicContact CD1-CG 4.31Å; I14-Y300 HydrophobicContact CG1-CD2 4.24Å; I14-Y300 HydrophobicContact CG1-CE1 4.08Å; I14-Y300 HydrophobicContact CG1-CE2 3.53Å; I14-Y300 VanDerWaalsContact CG1-CZ 3.45Å; I14-T303 HydrophobicContact CD1-CG2 3.69Å; I14-L304 HydrophobicContact CD1-CB 4.08Å; I14-L304 HydrophobicContact CG1-CB 4.34Å; I14-L304 HydrophobicContact CG1-CD1 4.45Å; I14-L304 HydrophobicContact CG2-CD1 4.2Å
15E93.7Very high81.3Confident85 Ų8571.7 Ų71.740%0.39736%0.357SS..Hα-helixtrans-57.5-47176.8-69.8-71.9-178.300112.5F11 V13 R19 R307F11-E15 VanDerWaalsContact O-CG 3.24Å; F11-E15 WeakPolarHBondContact O-CG 3.46Å; F11-E15 PolarHBondContact O-N 3.2Å; V13-E15 VanDerWaalsContact C-N 3.3Å; V13-E15 PolarHBondContact O-N 3.33Å; E15-R19 WeakPolarHBondContact O-CB 3.29Å; E15-R19 PolarHBondContact O-N 3.19Å; E15-R307 VanDerWaalsContact CD-CZ 3.45Å; E15-R307 IonicContact OE1-CZ 3.51Å; E15-R307 IonicContact OE1-NH1 3.41Å; E15-R307 PolarHBondContact OE1-NH1 2.98Å; E15-R307 IonicContact OE1-NH2 2.92Å; E15-R307 PolarHBondContact OE1-NH2 3.11Å; E15-R307 IonicContact OE2-CZ 2.69Å; E15-R307 IonicContact OE2-NH1 2.68Å; E15-R307 PolarHBondContact OE2-NH1 3.16Å; E15-R307 IonicContact OE2-NH2 3.06Å; E15-R307 PolarHBondContact OE2-NH2 3.21Å
16R94Very high84.3Confident102 Ų10265.8 Ų65.839%0.38533%0.334SS..Hα-helixtrans-65.7-45.9-178.8-178.5-162.564.6-168.3-1.7111S12 V13 I14 L18 R19S12-R16 WeakPolarHBondContact O-CB 3.38Å; S12-R16 PolarHBondContact O-N 3.05Å; V13-R16 PolarHBondContact O-N 3.08Å; I14-R16 PolarHBondContact O-N 2.9Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-R19 WeakPolarHBondContact O-CB 3.34Å; R16-R19 PolarHBondContact O-N 3.13Å
17D95.7Very high87.1Confident16 Ų1664.8 Ų64.89%0.08632%0.319CS..Hα-helixtrans-71.7-30.4-175.2-66.87000111.4V13 I14 P20 I102 M103V13-D17 WeakPolarHBondContact O-CB 3.21Å; V13-D17 VanDerWaalsContact O-CG 3.25Å; V13-D17 PolarHBondContact O-N 3.23Å; I14-D17 PolarHBondContact O-N 3.45Å; D17-P20 WeakPolarHBondContact O-CD 3.14Å; D17-I102 HydrophobicContact CB-CB 4.41Å; D17-I102 HydrophobicContact CB-CG1 4.4Å; D17-I102 HydrophobicContact CB-CG2 4Å; D17-M103 WeakPolarHBondContact OD2-CB 3.5Å; D17-M103 PolarHBondContact OD2-N 2.95Å; D17-M103 VanDerWaalsContact OD2-N 3.08Å
18L96.3Very high89.1Confident10 Ų1068.9 Ų68.95%0.05234%0.336CS..Hα-helixtrans-86.3-18.1176.2-65.2-175.2000114.2I14 R16 P20 F21 I102 L304 R307 Y308 L311I14-L18 HydrophobicContact CG2-CD1 3.63Å; I14-L18 HydrophobicContact CG2-CG 4.15Å; I14-L18 VanDerWaalsContact O-CB 3.28Å; I14-L18 WeakPolarHBondContact O-CB 3.48Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.44Å; I14-L18 PolarHBondContact O-N 2.9Å; R16-L18 VanDerWaalsContact C-N 3.34Å; L18-P20 VanDerWaalsContact C-CD 3.41Å; L18-F21 PolarHBondContact O-N 3.47Å; L18-I102 HydrophobicContact CD2-CD1 3.59Å; L18-I102 HydrophobicContact CD2-CG1 4.13Å; L18-I102 HydrophobicContact CD2-CG2 4.19Å; L18-L304 HydrophobicContact CD2-CD1 4.46Å; L18-R307 HydrophobicContact CD1-CB 3.74Å; L18-Y308 HydrophobicContact CD2-CD2 4.11Å; L18-L311 HydrophobicContact CB-CD1 3.97Å; L18-L311 HydrophobicContact CD1-CD1 4.23Å; L18-L311 HydrophobicContact CD2-CD1 4.21Å; L18-L311 HydrophobicContact CG-CD1 4.37Å
19R95.9Very high91Very high155 Ų15568 Ų6859%0.58533%0.326SS*.G310 helixtrans-51.9-42.7-177.9-173-177.4-57.8172.51.3114.5E15 R16 F21 E22E15-R19 WeakPolarHBondContact O-CB 3.29Å; E15-R19 PolarHBondContact O-N 3.19Å; R16-R19 WeakPolarHBondContact O-CB 3.34Å; R16-R19 PolarHBondContact O-N 3.13Å; R19-F21 PolarHBondContact O-N 3.27Å; R19-E22 WeakPolarHBondContact O-CB 3.25Å; R19-E22 WeakPolarHBondContact O-CG 3.41Å; R19-E22 PolarHBondContact O-N 2.97Å; R19-E22 VanDerWaalsContact O-N 3.12Å
20P95.4Very high92.3Very high76 Ų7668.6 Ų68.649%0.49433%0.328SS..G310 helixtrans-58.2-19.6178.1-25.136.4000114D17 L18 L100D17-P20 WeakPolarHBondContact O-CD 3.14Å; L18-P20 VanDerWaalsContact C-CD 3.41Å; P20-L100 HydrophobicContact CB-CD2 4.17Å; P20-L100 HydrophobicContact CG-CD2 4.04Å
21F96.3Very high93.6Very high35 Ų3570.6 Ų70.615%0.15434%0.341CS..G310 helixtrans-107.815.4-176.5-49.5-73.7000113L18 R19 K23 G24 I25 M29 L100 I102 L311L18-F21 PolarHBondContact O-N 3.47Å; R19-F21 PolarHBondContact O-N 3.27Å; F21-K23 PolarHBondContact O-N 2.86Å; F21-K23 VanDerWaalsContact O-N 3.11Å; F21-G24 WeakPolarHBondContact O-CA 3.37Å; F21-G24 PolarHBondContact O-N 3.43Å; F21-I25 HydrophobicContact CB-CD1 4.01Å; F21-I25 HydrophobicContact CB-CG1 3.75Å; F21-I25 HydrophobicContact CD1-CG1 4.17Å; F21-I25 HydrophobicContact CG-CD1 4.2Å; F21-I25 HydrophobicContact CG-CG1 4.14Å; F21-M29 HydrophobicContact CD1-CE 3.84Å; F21-M29 HydrophobicContact CE1-CE 4.17Å; F21-L100 HydrophobicContact CZ-CB 4.26Å; F21-I102 HydrophobicContact CD2-CD1 4.23Å; F21-I102 HydrophobicContact CE2-CD1 3.95Å; F21-I102 HydrophobicContact CE2-CG1 4.13Å; F21-L311 HydrophobicContact CB-CD1 4.24Å
22E96Very high94.3Very high132 Ų13270.5 Ų70.562%0.61734%0.339SS*.THydrogen-bonded Turntrans-57.8-27.9-17767.1-177.8-173.600113.8R19 G24R19-E22 WeakPolarHBondContact O-CB 3.25Å; R19-E22 WeakPolarHBondContact O-CG 3.41Å; R19-E22 PolarHBondContact O-N 2.97Å; R19-E22 VanDerWaalsContact O-N 3.12Å; E22-G24 PolarHBondContact O-N 3.3Å
23K96.5Very high94.2Very high190 Ų19069 Ų6983%0.82634%0.336SS*.THydrogen-bonded Turntrans-76-8.8176-63.2-174-179.1178.80113.2F21F21-K23 PolarHBondContact O-N 2.86Å; F21-K23 VanDerWaalsContact O-N 3.11Å
24G97.2Very high93.8Very high9 Ų975.5 Ų75.59%0.09337%0.371CS..  trans108.3162.3-179.200000113.4F21 E22 L311F21-G24 WeakPolarHBondContact O-CA 3.37Å; F21-G24 PolarHBondContact O-N 3.43Å; E22-G24 PolarHBondContact O-N 3.3Å; G24-L311 CarbonylContact C-O 3.57Å; G24-L311 WeakPolarHBondContact CA-O 3.46Å
25I97.5Very high93.4Very high5 Ų583.4 Ų83.43%0.02640%0.4CS..BIsolated β-bridgetrans-114.6113.7-179.7-58.1172.4000107.6F21 M29 L30 Y308 L311 L312 R313F21-I25 HydrophobicContact CB-CD1 4.01Å; F21-I25 HydrophobicContact CB-CG1 3.75Å; F21-I25 HydrophobicContact CD1-CG1 4.17Å; F21-I25 HydrophobicContact CG-CD1 4.2Å; F21-I25 HydrophobicContact CG-CG1 4.14Å; I25-M29 HydrophobicContact CG2-CB 4.46Å; I25-L30 HydrophobicContact CG2-CD2 3.93Å; I25-L30 HydrophobicContact CG2-CG 4.3Å; I25-Y308 HydrophobicContact CD1-CD2 3.89Å; I25-Y308 HydrophobicContact CD1-CE2 3.42Å; I25-Y308 VanDerWaalsContact CD1-CE2 3.42Å; I25-L311 HydrophobicContact CD1-CB 4.09Å; I25-L311 HydrophobicContact CG1-CB 4.21Å; I25-L311 PolarHBondContact N-O 3.19Å; I25-L312 HydrophobicContact CB-CD2 4.05Å; I25-L312 HydrophobicContact CD1-CD2 4.45Å; I25-L312 HydrophobicContact CG2-CD2 4.09Å; I25-R313 PolarHBondContact O-N 3.07Å
26V97Very high93.4Very high62 Ų6280.3 Ų80.338%0.37639%0.386SS..  trans-92160.2170.2-61.30000110.1E28 M29 R313V26-E28 WeakPolarHBondContact CB-OE2 3.32Å; V26-E28 HydrophobicContact CG2-CB 4.46Å; V26-E28 WeakPolarHBondContact CG2-OE2 3.29Å; V26-E28 PolarHBondContact O-N 3.35Å; V26-M29 HydrophobicContact CG2-CG 3.71Å; V26-M29 HydrophobicContact CG2-SD 3.91Å; V26-M29 WeakPolarHBondContact O-CB 3.13Å; V26-M29 PolarHBondContact O-N 2.95Å; V26-R313 HydrophobicContact CG1-CB 4.02Å
27K93.7Very high93.6Very high106 Ų10675.5 Ų75.546%0.46137%0.368SS..G310 helixtrans-58.5-35.1-173.1-166.8168.2-175.4169.40112.3M29 L30 Y32 F314K27-M29 PolarHBondContact O-N 3.48Å; K27-L30 WeakPolarHBondContact O-CB 3.26Å; K27-L30 PolarHBondContact O-N 2.79Å; K27-L30 VanDerWaalsContact O-N 3.13Å; K27-Y32 VanDerWaalsContact CE-OH 3.24Å; K27-Y32 WeakPolarHBondContact CE-OH 3.07Å; K27-Y32 HydrophobicContact CG-CE2 3.82Å; K27-Y32 VanDerWaalsContact CG-OH 3.29Å; K27-Y32 WeakPolarHBondContact CG-OH 3.46Å; K27-Y32 WeakPolarHBondContact O-CE2 3.33Å; K27-F314 HydrophobicContact CB-CD1 4.17Å; K27-F314 HydrophobicContact CB-CE1 4.37Å; K27-F314 HydrophobicContact CB-CG 4.33Å
28E93.7Very high93.7Very high160 Ų16075.7 Ų75.775%0.74837%0.369SS*.G310 helixtrans-68-17-178.4-59.170.1-15100113.2V26 L30V26-E28 WeakPolarHBondContact CB-OE2 3.32Å; V26-E28 HydrophobicContact CG2-CB 4.46Å; V26-E28 WeakPolarHBondContact CG2-OE2 3.29Å; V26-E28 PolarHBondContact O-N 3.35Å; E28-L30 VanDerWaalsContact C-N 3.33Å
29M93.4Very high93.8Very high97 Ų9775.2 Ų75.248%0.47837%0.366SS..G310 helixtrans-79.3-18.5175.9-63.6174.37000112.6F21 I25 V26 K27F21-M29 HydrophobicContact CD1-CE 3.84Å; F21-M29 HydrophobicContact CE1-CE 4.17Å; I25-M29 HydrophobicContact CG2-CB 4.46Å; V26-M29 HydrophobicContact CG2-CG 3.71Å; V26-M29 HydrophobicContact CG2-SD 3.91Å; V26-M29 WeakPolarHBondContact O-CB 3.13Å; V26-M29 PolarHBondContact O-N 2.95Å; K27-M29 PolarHBondContact O-N 3.48Å
30L92Very high93.9Very high20 Ų2067.9 Ų67.911%0.10534%0.339CS..SBendtrans-82.3126.8-174.5-65.5-177.4000110.7I25 K27 E28 Y32 L78 Y308 F314I25-L30 HydrophobicContact CG2-CD2 3.93Å; I25-L30 HydrophobicContact CG2-CG 4.3Å; K27-L30 WeakPolarHBondContact O-CB 3.26Å; K27-L30 PolarHBondContact O-N 2.79Å; K27-L30 VanDerWaalsContact O-N 3.13Å; E28-L30 VanDerWaalsContact C-N 3.33Å; L30-Y32 HydrophobicContact CB-CD2 4.08Å; L30-Y32 HydrophobicContact CB-CE2 3.63Å; L30-Y32 HydrophobicContact CD1-CE2 4.42Å; L30-Y32 VanDerWaalsContact O-CD2 3.26Å; L30-Y32 WeakPolarHBondContact O-CD2 3.24Å; L30-Y32 PolarHBondContact O-N 3.07Å; L30-L78 HydrophobicContact CB-CD1 3.79Å; L30-Y308 WeakPolarHBondContact CD2-OH 3.34Å; L30-F314 HydrophobicContact CD1-CE1 4.18Å; L30-F314 HydrophobicContact CD1-CZ 3.75Å
31P90.3Very high94.1Very high52 Ų5264.3 Ų64.334%0.33832%0.315SS..  trans-79.363.3-175.833.6-38.2000112.3H36 L78 F86P31-H36 PolarHBondContact O-ND1 3.12Å; P31-H36 VanDerWaalsContact O-ND1 3.16Å; P31-L78 VanDerWaalsContact C-CD1 3.5Å; P31-L78 VanDerWaalsContact CD-CD1 3.46Å; P31-L78 HydrophobicContact CG-CD1 3.89Å; P31-F86 HydrophobicContact CB-CE1 4.38Å
32Y90Very high94.2Very high90 Ų9063.1 Ų63.135%0.35331%0.311SS..  trans-55.8145.1175.5-63.1-80.6000111.5K27 L30 L38 E76 L78K27-Y32 VanDerWaalsContact CE-OH 3.24Å; K27-Y32 WeakPolarHBondContact CE-OH 3.07Å; K27-Y32 HydrophobicContact CG-CE2 3.82Å; K27-Y32 VanDerWaalsContact CG-OH 3.29Å; K27-Y32 WeakPolarHBondContact CG-OH 3.46Å; K27-Y32 WeakPolarHBondContact O-CE2 3.33Å; L30-Y32 HydrophobicContact CB-CD2 4.08Å; L30-Y32 HydrophobicContact CB-CE2 3.63Å; L30-Y32 HydrophobicContact CD1-CE2 4.42Å; L30-Y32 VanDerWaalsContact O-CD2 3.26Å; L30-Y32 WeakPolarHBondContact O-CD2 3.24Å; L30-Y32 PolarHBondContact O-N 3.07Å; Y32-L38 HydrophobicContact CD1-CD2 4.41Å; Y32-L38 HydrophobicContact CE1-CD1 4.11Å; Y32-L38 HydrophobicContact CE1-CD2 4.28Å; Y32-E76 WeakPolarHBondContact CE1-OE1 3.36Å; Y32-E76 VanDerWaalsContact CZ-OE1 3.27Å; Y32-E76 PolarHBondContact OH-OE1 3.32Å; Y32-L78 HydrophobicContact CD1-CD1 4.39Å; Y32-L78 HydrophobicContact CD1-CD2 4.41Å
33G86.5Confident94.2Very high46 Ų4662.7 Ų62.747%0.47431%0.313SS..SBendtrans141.9-178.4-179.700000111.2R35G33-R35 PolarHBondContact O-N 3.42Å; G33-R35 VanDerWaalsContact O-N 3.14Å
34D83.4Confident94.3Very high138 Ų13858.5 Ų58.574%0.73830%0.296SS*.THydrogen-bonded Turntrans-78.84.4-169.6-57.7-45000115.1
35R87.9Confident94.4Very high166 Ų16663 Ų6363%0.62631%0.313SS*.THydrogen-bonded Turntrans-92.5-5.8-178.3-67.5-167.7-72.3179.7-6.7114G33 F86G33-R35 PolarHBondContact O-N 3.42Å; G33-R35 VanDerWaalsContact O-N 3.14Å; R35-F86 HydrophobicContact CB-CE2 4.38Å; R35-F86 VanDerWaalsContact NH2-CZ 3.33Å
36H94Very high94.4Very high19 Ų1962.8 Ų62.89%0.08831%0.312CS..SBendtrans-135.4156.1-179.5-54.8102.1000109.4P31 L78 F86P31-H36 PolarHBondContact O-ND1 3.12Å; P31-H36 VanDerWaalsContact O-ND1 3.16Å; H36-L78 HydrophobicContact CB-CB 3.92Å; H36-L78 HydrophobicContact CB-CD2 3.84Å; H36-L78 HydrophobicContact CB-CG 4.45Å; H36-F86 AromaticContact CE1-CD1 3.7Å; H36-F86 AromaticContact CE1-CE1 3.55Å; H36-F86 AromaticContact CE1-CE2 3.97Å; H36-F86 AromaticContact CE1-CG 3.98Å; H36-F86 AromaticContact CE1-CZ 3.66Å; H36-F86 AromaticContact NE2-CD1 3.58Å; H36-F86 AromaticContact NE2-CD2 3.82Å; H36-F86 AromaticContact NE2-CE1 3.92Å; H36-F86 AromaticContact NE2-CG 3.51Å
37V96.9Very high94.5Very high2 Ų260.7 Ų60.71%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-92.6115173.5-171.80000107.8Y39 R48 C52 L79V37-Y39 HydrophobicContact CB-CD2 4.36Å; V37-Y39 HydrophobicContact CB-CE2 3.9Å; V37-Y39 HydrophobicContact CG1-CD2 3.95Å; V37-Y39 HydrophobicContact CG1-CE2 3.39Å; V37-R48 HydrophobicContact CG1-CG 3.4Å; V37-C52 HydrophobicContact CG2-CB 4.23Å; V37-L79 HydrophobicContact CB-CB 4.49Å; V37-L79 PolarHBondContact N-O 3.44Å; V37-L79 PolarHBondContact O-N 3.13Å
38L97.5Very high94.7Very high19 Ų1956.3 Ų56.310%0.09928%0.278CS..EExtended strand (participates in β ladder)trans-78.1123.3176.9176.559.3000108.9Y32 R48 S49 E76 L78 L322Y32-L38 HydrophobicContact CD1-CD2 4.41Å; Y32-L38 HydrophobicContact CE1-CD1 4.11Å; Y32-L38 HydrophobicContact CE1-CD2 4.28Å; L38-R48 CarbonylContact O-C 3.51Å; L38-R48 VanDerWaalsContact O-CA 3.25Å; L38-R48 WeakPolarHBondContact O-CA 3.22Å; L38-S49 PolarHBondContact N-OG 2.72Å; L38-S49 VanDerWaalsContact N-OG 3.13Å; L38-S49 PolarHBondContact O-N 2.81Å; L38-E76 HydrophobicContact CD1-CG 3.52Å; L38-L78 HydrophobicContact CB-CD2 4.01Å; L38-L78 HydrophobicContact CD1-CD2 4.02Å; L38-L78 HydrophobicContact CD1-CG 4.3Å; L38-L322 HydrophobicContact CD2-CD1 4.31Å; L38-L322 HydrophobicContact CD2-CD2 4.03Å; L38-L322 HydrophobicContact CG-CD1 4.29Å; L38-L322 HydrophobicContact CG-CD2 4.34Å
39Y98.4Very high94.8Very high0 Ų049.6 Ų49.60%025%0.249CC..EExtended strand (participates in β ladder)trans-114.5142.6170.9-77.2-89000110.8V37 L46 Y47 R48 E62 L65 E76 F77 L79V37-Y39 HydrophobicContact CB-CD2 4.36Å; V37-Y39 HydrophobicContact CB-CE2 3.9Å; V37-Y39 HydrophobicContact CG1-CD2 3.95Å; V37-Y39 HydrophobicContact CG1-CE2 3.39Å; Y39-L46 HydrophobicContact CD1-CD1 3.86Å; Y39-L46 HydrophobicContact CD1-CG 4.38Å; Y39-Y47 CarbonylContact C-O 3.55Å; Y39-Y47 VanDerWaalsContact CA-O 3.3Å; Y39-Y47 WeakPolarHBondContact CA-O 3.37Å; Y39-R48 HydrophobicContact CD1-CB 3.98Å; Y39-R48 HydrophobicContact CD1-CG 3.92Å; Y39-R48 HydrophobicContact CD2-CG 4.41Å; Y39-R48 HydrophobicContact CE1-CB 3.81Å; Y39-R48 HydrophobicContact CE1-CG 3.5Å; Y39-R48 HydrophobicContact CE2-CG 4.03Å; Y39-R48 HydrophobicContact CG-CG 4.38Å; Y39-R48 VanDerWaalsContact OH-CD 3.3Å; Y39-R48 WeakPolarHBondContact OH-CD 3.4Å; Y39-E62 HydrophobicContact CE1-CG 3.94Å; Y39-E62 PolarHBondContact OH-OE1 2.92Å; Y39-L65 HydrophobicContact CD1-CD1 3.99Å; Y39-L65 HydrophobicContact CE1-CD1 4.02Å; Y39-L65 HydrophobicContact CG-CD1 4.45Å; Y39-E76 WeakPolarHBondContact O-CA 3.26Å; Y39-F77 VanDerWaalsContact CB-CZ 3.42Å; Y39-F77 AromaticContact CD2-CE2 3.86Å; Y39-F77 HydrophobicContact CD2-CE2 3.86Å; Y39-F77 HydrophobicContact CD2-CZ 4.24Å; Y39-F77 AromaticContact CG-CE2 3.95Å; Y39-F77 HydrophobicContact CG-CE2 3.95Å; Y39-F77 AromaticContact CG-CZ 3.87Å; Y39-F77 HydrophobicContact CG-CZ 3.87Å; Y39-F77 PolarHBondContact N-O 3.21Å; Y39-F77 PolarHBondContact O-N 3.38Å; Y39-L79 HydrophobicContact CD2-CB 4.04Å; Y39-L79 HydrophobicContact CE2-CB 4.08Å; Y39-L79 HydrophobicContact CE2-CD1 4.4Å
40Q98.6Very high94.8Very high1 Ų148 Ų481%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-127138166.5-69.9-176.7-33.100109.8V42 Y47 V75 E76 V316 V317 L322Q40-V42 HydrophobicContact CB-CG2 4.17Å; Q40-Y47 PolarHBondContact N-O 2.85Å; Q40-Y47 PolarHBondContact O-N 2.98Å; Q40-V75 CarbonylContact C-O 3.45Å; Q40-V75 VanDerWaalsContact CA-O 3.32Å; Q40-V75 WeakPolarHBondContact CA-O 3.43Å; Q40-E76 HydrophobicContact CG-CB 4.11Å; Q40-E76 HydrophobicContact CG-CG 3.81Å; Q40-E76 PolarHBondContact NE2-OE2 3.2Å; Q40-V316 HydrophobicContact CG-CG1 4.32Å; Q40-V317 PolarHBondContact NE2-O 2.6Å; Q40-L322 HydrophobicContact CB-CD1 4.04Å; Q40-L322 HydrophobicContact CG-CD1 3.62Å
41V98.7Very high94.6Very high1 Ų152.2 Ų52.21%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-104.6122.2155.8-179.20000106.4K45 L46 V69 L72 D74 V75V41-K45 VanDerWaalsContact CA-O 3.29Å; V41-K45 WeakPolarHBondContact CA-O 3.35Å; V41-L46 HydrophobicContact CG2-CD1 3.99Å; V41-V69 HydrophobicContact CG1-CG2 3.77Å; V41-V69 HydrophobicContact CG2-CG2 4.24Å; V41-L72 HydrophobicContact CG1-CB 4.31Å; V41-L72 HydrophobicContact CG2-CD1 4.12Å; V41-D74 CarbonylContact O-C 3.25Å; V41-D74 WeakPolarHBondContact O-CA 3.47Å; V41-V75 HydrophobicContact CB-CG1 3.86Å; V41-V75 HydrophobicContact CG2-CG1 3.92Å; V41-V75 PolarHBondContact N-O 2.77Å; V41-V75 PolarHBondContact O-N 3.28Å
42V98.6Very high94.8Very high11 Ų1150.5 Ų50.57%0.06726%0.263CS..EExtended strand (participates in β ladder)trans-138129.8174.7-1730000108.5Q40 H44 K45 Y47 D74 V316 R318Q40-V42 HydrophobicContact CB-CG2 4.17Å; V42-H44 PolarHBondContact O-N 3.05Å; V42-K45 PolarHBondContact N-O 3.35Å; V42-K45 WeakPolarHBondContact O-CB 3.32Å; V42-K45 PolarHBondContact O-N 3.3Å; V42-Y47 HydrophobicContact CB-CE2 4.22Å; V42-D74 WeakPolarHBondContact CA-OD1 3.29Å; V42-V316 HydrophobicContact CG2-CG1 3.82Å; V42-R318 HydrophobicContact CB-CB 4.32Å; V42-R318 HydrophobicContact CG1-CB 4.19Å; V42-R318 HydrophobicContact CG2-CB 4.17Å
43D97.6Very high94.9Very high122 Ų12249.9 Ų49.965%0.65227%0.268SS*.THydrogen-bonded Turntrans5143.8-177.3-63.7-44.1000111.9K45 D74D43-K45 PolarHBondContact O-N 2.88Å; D43-K45 VanDerWaalsContact O-N 3.16Å; D43-D74 PolarHBondContact N-OD1 2.77Å
44H97.8Very high95.3Very high103 Ų10351.3 Ų51.348%0.47726%0.262SS..THydrogen-bonded Turntrans58.225.9-178.8-54.3-61.7000114.9V42 V69 D70 L72V42-H44 PolarHBondContact O-N 3.05Å; H44-V69 PolarHBondContact ND1-O 3.16Å; H44-V69 WeakPolarHBondContact O-CG2 3.37Å; H44-D70 PolarHBondContact ND1-O 3.02Å; H44-L72 PolarHBondContact CE1-O 3.13Å; H44-L72 PolarHBondContact ND1-O 2.44Å
45K98.4Very high95.9Very high102 Ų10248.5 Ų48.544%0.44324%0.244SC..EExtended strand (participates in β ladder)trans-117.6139.8174.1-67.9173.8-173.51700110.7V41 V42 D43 Y47V41-K45 VanDerWaalsContact CA-O 3.29Å; V41-K45 WeakPolarHBondContact CA-O 3.35Å; V42-K45 PolarHBondContact N-O 3.35Å; V42-K45 WeakPolarHBondContact O-CB 3.32Å; V42-K45 PolarHBondContact O-N 3.3Å; D43-K45 PolarHBondContact O-N 2.88Å; D43-K45 VanDerWaalsContact O-N 3.16Å; K45-Y47 HydrophobicContact CB-CD2 4.46Å; K45-Y47 HydrophobicContact CB-CE2 3.57Å; K45-Y47 WeakPolarHBondContact CD-OH 3.3Å; K45-Y47 WeakPolarHBondContact O-CD2 3.44Å; K45-Y47 WeakPolarHBondContact O-CE2 3.25Å
46L98.7Very high96.3Very high2 Ų244.1 Ų44.11%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-92.1129.4-179.1-175.364.9000110.6Y39 V41 E62 L65 L66 V69 H324 I325Y39-L46 HydrophobicContact CD1-CD1 3.86Å; Y39-L46 HydrophobicContact CD1-CG 4.38Å; V41-L46 HydrophobicContact CG2-CD1 3.99Å; L46-E62 HydrophobicContact CD2-CG 4.41Å; L46-L65 HydrophobicContact CD1-CB 4.27Å; L46-L65 HydrophobicContact CD1-CD1 3.98Å; L46-L65 HydrophobicContact CD2-CB 3.75Å; L46-L65 HydrophobicContact CD2-CD1 4.18Å; L46-L66 HydrophobicContact CB-CD2 4.11Å; L46-L66 HydrophobicContact CD2-CD2 3.89Å; L46-L66 HydrophobicContact CD2-CG 3.95Å; L46-V69 HydrophobicContact CB-CG2 4.15Å; L46-H324 PolarHBondContact O-CD2 3.08Å; L46-I325 HydrophobicContact CB-CB 4.4Å; L46-I325 HydrophobicContact CD2-CB 4.09Å; L46-I325 HydrophobicContact CD2-CG2 4.07Å; L46-I325 HydrophobicContact CG-CB 4.15Å; L46-I325 PolarHBondContact O-N 2.83Å
47Y98.6Very high96.5Very high17 Ų1744.8 Ų44.87%0.06724%0.239CC..EExtended strand (participates in β ladder)trans-126.5148.5176.2-55.9-89.7000110.3Y39 Q40 V42 K45 R318 V323 H324Y39-Y47 CarbonylContact C-O 3.55Å; Y39-Y47 VanDerWaalsContact CA-O 3.3Å; Y39-Y47 WeakPolarHBondContact CA-O 3.37Å; Q40-Y47 PolarHBondContact N-O 2.85Å; Q40-Y47 PolarHBondContact O-N 2.98Å; V42-Y47 HydrophobicContact CB-CE2 4.22Å; K45-Y47 HydrophobicContact CB-CD2 4.46Å; K45-Y47 HydrophobicContact CB-CE2 3.57Å; K45-Y47 WeakPolarHBondContact CD-OH 3.3Å; K45-Y47 WeakPolarHBondContact O-CD2 3.44Å; K45-Y47 WeakPolarHBondContact O-CE2 3.25Å; Y47-R318 HydrophobicContact CE2-CG 4.39Å; Y47-V323 CarbonylContact C-O 3.57Å; Y47-V323 VanDerWaalsContact CA-O 3.22Å; Y47-V323 WeakPolarHBondContact CA-O 3.3Å; Y47-H324 HydrophobicContact CD1-CB 4Å; Y47-H324 HydrophobicContact CE1-CB 3.84Å; Y47-H324 AromaticContact CE1-CD2 3.84Å
48R98Very high96.6Very high14 Ų1444.7 Ų44.75%0.05324%0.238CC..EExtended strand (participates in β ladder)trans-139.1152.6-178.4-166.8-168.780.1173.89.6111.3V37 L38 Y39 A50 E55 E62 L322 V323 I325V37-R48 HydrophobicContact CG1-CG 3.4Å; L38-R48 CarbonylContact O-C 3.51Å; L38-R48 VanDerWaalsContact O-CA 3.25Å; L38-R48 WeakPolarHBondContact O-CA 3.22Å; Y39-R48 HydrophobicContact CD1-CB 3.98Å; Y39-R48 HydrophobicContact CD1-CG 3.92Å; Y39-R48 HydrophobicContact CD2-CG 4.41Å; Y39-R48 HydrophobicContact CE1-CB 3.81Å; Y39-R48 HydrophobicContact CE1-CG 3.5Å; Y39-R48 HydrophobicContact CE2-CG 4.03Å; Y39-R48 HydrophobicContact CG-CG 4.38Å; Y39-R48 VanDerWaalsContact OH-CD 3.3Å; Y39-R48 WeakPolarHBondContact OH-CD 3.4Å; R48-A50 PolarHBondContact NH2-O 2.01Å; R48-E55 IonicContact CZ-OE1 3.66Å; R48-E55 IonicContact CZ-OE2 2.64Å; R48-E55 IonicContact NH1-OE1 2.85Å; R48-E55 IonicContact NH1-OE2 3.6Å; R48-E55 PolarHBondContact NH1-OE2 3.18Å; R48-E55 IonicContact NH2-OE1 2.66Å; R48-E55 PolarHBondContact NH2-OE1 2.8Å; R48-E55 IonicContact NH2-OE2 2.87Å; R48-E55 PolarHBondContact NH2-OE2 2.98Å; R48-E62 WeakPolarHBondContact CD-OE1 3.42Å; R48-E62 IonicContact CZ-OE1 3.64Å; R48-E62 IonicContact NE-OE1 2.78Å; R48-E62 IonicContact NH1-OE1 3.56Å; R48-E62 PolarHBondContact NH1-OE1 2.68Å; R48-L322 CarbonylContact O-C 3.59Å; R48-L322 WeakPolarHBondContact O-CA 3.34Å; R48-L322 WeakPolarHBondContact O-CB 3.42Å; R48-V323 HydrophobicContact CB-CG2 4.29Å; R48-V323 PolarHBondContact N-O 3.07Å; R48-V323 VanDerWaalsContact O-CG2 3.26Å; R48-V323 WeakPolarHBondContact O-CG2 3.46Å; R48-V323 PolarHBondContact O-N 3.08Å; R48-I325 HydrophobicContact CB-CD1 3.91Å; R48-I325 HydrophobicContact CB-CG1 3.69Å
49S96.7Very high96.6Very high20 Ų2044.6 Ų44.614%0.1424%0.239CC..  trans-57.7145.5163.7520000110.7L38 N51L38-S49 PolarHBondContact N-OG 2.72Å; L38-S49 VanDerWaalsContact N-OG 3.13Å; L38-S49 PolarHBondContact O-N 2.81Å; S49-N51 PolarHBondContact O-N 3.46Å; S49-N51 PolarHBondContact OG-O 3.03Å; S49-N51 VanDerWaalsContact OG-O 3.05Å
50A91.6Very high96.5Very high62 Ų6244.6 Ų44.651%0.51224%0.239SC..SBendtrans-59.1-38.5175.900000111.3R48 C52R48-A50 PolarHBondContact NH2-O 2.01Å; A50-C52 PolarHBondContact O-N 3.34Å
51N88.4Confident96.5Very high109 Ų10944.5 Ų44.558%0.58324%0.239SC*.  trans-77.7119177.3-64.8-14.6000110.7S49S49-N51 PolarHBondContact O-N 3.46Å; S49-N51 PolarHBondContact OG-O 3.03Å; S49-N51 VanDerWaalsContact OG-O 3.05Å
52C93.9Very high96.5Very high17 Ų1745.3 Ų45.312%0.11524%0.242CC..  trans-126.1123.7160.11720000108.2V37 A50 F54 C58V37-C52 HydrophobicContact CG2-CB 4.23Å; A50-C52 PolarHBondContact O-N 3.34Å; C52-F54 VanDerWaalsContact C-N 3.29Å; C52-F54 PolarHBondContact O-N 3.33Å; C52-F54 PolarHBondContact SG-O 3.03Å; C52-F54 VanDerWaalsContact SG-O 3.33Å; C52-C58 HydrophobicContact CB-CB 3.97Å; C52-C58 WeakPolarHBondContact CB-SG 3.31Å; C52-C58 WeakPolarHBondContact SG-CB 3.45Å; C52-C58 CovalentContact SG-SG 2.02Å; C52-C58 PolarHBondContact SG-SG 2.87Å
53T93.5Very high96.5Very high76 Ų7646.3 Ų46.347%0.46625%0.246SC..THydrogen-bonded Turntrans-65.7-36-175.1-580000111.6D81T53-D81 WeakPolarHBondContact CB-OD2 3.44Å; T53-D81 PolarHBondContact N-OD2 2.92Å
54F94.9Very high96.5Very high76 Ų7640.5 Ų40.533%0.33322%0.215SC..THydrogen-bonded Turntrans-126.486.8176-56.9-78.8000111C52 P56 R57 C58 D81 H82C52-F54 VanDerWaalsContact C-N 3.29Å; C52-F54 PolarHBondContact O-N 3.33Å; C52-F54 PolarHBondContact SG-O 3.03Å; C52-F54 VanDerWaalsContact SG-O 3.33Å; F54-P56 VanDerWaalsContact C-N 3.34Å; F54-P56 VanDerWaalsContact O-N 3.15Å; F54-R57 HydrophobicContact CB-CB 3.95Å; F54-R57 VanDerWaalsContact CB-CD 3.49Å; F54-R57 HydrophobicContact CB-CG 3.58Å; F54-R57 HydrophobicContact CG-CG 4.39Å; F54-R57 WeakPolarHBondContact O-CA 3.47Å; F54-R57 VanDerWaalsContact O-CB 3.29Å; F54-R57 WeakPolarHBondContact O-CB 3.36Å; F54-R57 PolarHBondContact O-N 2.68Å; F54-C58 PolarHBondContact O-N 3.26Å; F54-D81 HydrophobicContact CD2-CB 4.43Å; F54-D81 WeakPolarHBondContact CD2-O 3.4Å; F54-D81 PolarHBondContact N-OD2 3.1Å; F54-H82 AromaticContact CE2-CE1 3.85Å; F54-H82 AromaticContact CE2-ND1 3.62Å
55E95.8Very high96.6Very high80 Ų8035.7 Ų35.737%0.37419%0.193SC..Hα-helixtrans-48.6-43.1-176.9-76.9-64.5171.200115.3R48 R57 C58 S59R48-E55 IonicContact CZ-OE1 3.66Å; R48-E55 IonicContact CZ-OE2 2.64Å; R48-E55 IonicContact NH1-OE1 2.85Å; R48-E55 IonicContact NH1-OE2 3.6Å; R48-E55 PolarHBondContact NH1-OE2 3.18Å; R48-E55 IonicContact NH2-OE1 2.66Å; R48-E55 PolarHBondContact NH2-OE1 2.8Å; R48-E55 IonicContact NH2-OE2 2.87Å; R48-E55 PolarHBondContact NH2-OE2 2.98Å; E55-R57 PolarHBondContact O-N 2.69Å; E55-C58 PolarHBondContact O-N 3.48Å; E55-S59 WeakPolarHBondContact O-CB 3.24Å; E55-S59 PolarHBondContact O-N 3.1Å
56P96.6Very high96.6Very high74 Ų7433.1 Ų33.148%0.48118%0.184SC..Hα-helixtrans-61.1-30.2174.5-26.136.8000113.9F54 G60 E111F54-P56 VanDerWaalsContact C-N 3.34Å; F54-P56 VanDerWaalsContact O-N 3.15Å; P56-G60 PolarHBondContact O-N 2.97Å; P56-E111 WeakPolarHBondContact O-CG 3.31Å
57R97.7Very high96.5Very high33 Ų3337.3 Ų37.313%0.12520%0.202CC..Hα-helixtrans-72.2-43.7176.2-58.3-174.5-178.4-161-5.7110.8F54 E55 G60 V61 D81 D83 W107F54-R57 HydrophobicContact CB-CB 3.95Å; F54-R57 VanDerWaalsContact CB-CD 3.49Å; F54-R57 HydrophobicContact CB-CG 3.58Å; F54-R57 HydrophobicContact CG-CG 4.39Å; F54-R57 WeakPolarHBondContact O-CA 3.47Å; F54-R57 VanDerWaalsContact O-CB 3.29Å; F54-R57 WeakPolarHBondContact O-CB 3.36Å; F54-R57 PolarHBondContact O-N 2.68Å; E55-R57 PolarHBondContact O-N 2.69Å; R57-G60 PolarHBondContact O-N 2.91Å; R57-V61 PolarHBondContact O-N 2.95Å; R57-D81 HydrophobicContact CB-CB 4.43Å; R57-D81 WeakPolarHBondContact CD-O 3.07Å; R57-D81 PolarHBondContact NH1-O 2.88Å; R57-D83 IonicContact CZ-OD1 3.57Å; R57-D83 IonicContact NH1-OD1 2.77Å; R57-D83 PolarHBondContact NH1-OD1 3.28Å; R57-D83 IonicContact NH2-OD1 2.89Å; R57-D83 PolarHBondContact NH2-OD1 2.89Å; R57-W107 HydrophobicContact CB-CB 4.07Å; R57-W107 HydrophobicContact CB-CD2 3.72Å; R57-W107 HydrophobicContact CB-CE3 4.03Å; R57-W107 HydrophobicContact CB-CG 3.7Å; R57-W107 VanDerWaalsContact CD-CE2 3.42Å; R57-W107 HydrophobicContact CG-CD2 3.74Å; R57-W107 HydrophobicContact CG-CE3 4.36Å; R57-W107 HydrophobicContact CG-CG 3.81Å; R57-W107 HydrophobicContact CG-CZ2 4.34Å; R57-W107 WeakPolarHBondContact O-CB 3.28Å
58C97.8Very high96.5Very high0 Ų036.9 Ų36.90%020%0.201CC..Hα-helixtrans-59.9-47.6173.7-720000111.5C52 F54 E55 G60 V61 E62C52-C58 HydrophobicContact CB-CB 3.97Å; C52-C58 WeakPolarHBondContact CB-SG 3.31Å; C52-C58 WeakPolarHBondContact SG-CB 3.45Å; C52-C58 CovalentContact SG-SG 2.02Å; C52-C58 PolarHBondContact SG-SG 2.87Å; F54-C58 PolarHBondContact O-N 3.26Å; E55-C58 PolarHBondContact O-N 3.48Å; C58-G60 VanDerWaalsContact C-N 3.27Å; C58-G60 PolarHBondContact O-N 2.77Å; C58-V61 CarbonylContact O-C 3.58Å; C58-V61 WeakPolarHBondContact O-CA 3.26Å; C58-V61 WeakPolarHBondContact O-CB 3.33Å; C58-V61 PolarHBondContact O-N 3.4Å; C58-E62 WeakPolarHBondContact O-CB 3.42Å; C58-E62 WeakPolarHBondContact O-CG 2.8Å; C58-E62 PolarHBondContact O-N 3.38Å
59S97.5Very high96.5Very high16 Ų1637.1 Ų37.111%0.11220%0.204CC..Hα-helixtrans-56.9-40.2175.6-169.60000112.3E55 V61 E62 H63 E111E55-S59 WeakPolarHBondContact O-CB 3.24Å; E55-S59 PolarHBondContact O-N 3.1Å; S59-V61 PolarHBondContact O-N 2.86Å; S59-E62 PolarHBondContact O-N 3.26Å; S59-H63 PolarHBondContact O-N 3.41Å; S59-E111 WeakPolarHBondContact CB-OE1 3.5Å; S59-E111 PolarHBondContact OG-OE1 3.17Å
60G98.1Very high96.5Very high0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-64.1-33.7173.700000114.6P56 R57 C58 F64P56-G60 PolarHBondContact O-N 2.97Å; R57-G60 PolarHBondContact O-N 2.91Å; C58-G60 VanDerWaalsContact C-N 3.27Å; C58-G60 PolarHBondContact O-N 2.77Å; G60-F64 WeakPolarHBondContact O-CD2 3.39Å; G60-F64 WeakPolarHBondContact O-CE2 3.33Å
61V98.3Very high96.8Very high0 Ų042.2 Ų42.20%022%0.218CC..Hα-helixtrans-74.3-48.2172.7171.60000110.9R57 C58 S59 H63 F64 L65 L79 Y104 W107 W301R57-V61 PolarHBondContact O-N 2.95Å; C58-V61 CarbonylContact O-C 3.58Å; C58-V61 WeakPolarHBondContact O-CA 3.26Å; C58-V61 WeakPolarHBondContact O-CB 3.33Å; C58-V61 PolarHBondContact O-N 3.4Å; S59-V61 PolarHBondContact O-N 2.86Å; V61-H63 PolarHBondContact O-N 3.11Å; V61-F64 PolarHBondContact O-N 2.85Å; V61-L65 HydrophobicContact CG1-CD1 3.68Å; V61-L65 HydrophobicContact CG1-CG 3.88Å; V61-L65 PolarHBondContact O-N 2.66Å; V61-L65 VanDerWaalsContact O-N 3.1Å; V61-L79 HydrophobicContact CB-CD1 4.33Å; V61-L79 HydrophobicContact CG1-CD1 3.7Å; V61-L79 HydrophobicContact CG2-CD1 3.91Å; V61-Y104 HydrophobicContact CG2-CE2 3.95Å; V61-W107 HydrophobicContact CG2-CB 4.19Å; V61-W301 HydrophobicContact CG1-CH2 3.79Å; V61-W301 HydrophobicContact CG1-CZ2 3.87Å; V61-W301 HydrophobicContact CG2-CZ2 4.32Å
62E98.5Very high97.2Very high17 Ų1737.1 Ų37.18%0.07919%0.191CC..Hα-helixtrans-56.4-35.3-178.6-71.6160.5-162.100111.7Y39 L46 R48 C58 S59 F64 L65 L66 I325Y39-E62 HydrophobicContact CE1-CG 3.94Å; Y39-E62 PolarHBondContact OH-OE1 2.92Å; L46-E62 HydrophobicContact CD2-CG 4.41Å; R48-E62 WeakPolarHBondContact CD-OE1 3.42Å; R48-E62 IonicContact CZ-OE1 3.64Å; R48-E62 IonicContact NE-OE1 2.78Å; R48-E62 IonicContact NH1-OE1 3.56Å; R48-E62 PolarHBondContact NH1-OE1 2.68Å; C58-E62 WeakPolarHBondContact O-CB 3.42Å; C58-E62 WeakPolarHBondContact O-CG 2.8Å; C58-E62 PolarHBondContact O-N 3.38Å; S59-E62 PolarHBondContact O-N 3.26Å; E62-F64 VanDerWaalsContact C-N 3.26Å; E62-F64 PolarHBondContact O-N 2.92Å; E62-L65 PolarHBondContact O-N 2.86Å; E62-L66 VanDerWaalsContact O-CB 3.31Å; E62-L66 WeakPolarHBondContact O-CB 3.4Å; E62-L66 VanDerWaalsContact O-CG 3.24Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 3.47Å; E62-I325 HydrophobicContact CB-CG2 4.33Å; E62-I325 HydrophobicContact CG-CG2 4.05Å
63H98.3Very high97.5Very high33 Ų3338.9 Ų38.915%0.15320%0.202CC..Hα-helixtrans-50.8-45.7171.8175.581.7000112.9S59 V61 K67 W110S59-H63 PolarHBondContact O-N 3.41Å; V61-H63 PolarHBondContact O-N 3.11Å; H63-K67 WeakPolarHBondContact NE2-CE 3.33Å; H63-K67 PolarHBondContact NE2-NZ 2.86Å; H63-K67 WeakPolarHBondContact O-CG 3.41Å; H63-W110 HydrophobicContact CB-CB 4.14Å; H63-W110 HydrophobicContact CB-CD2 4.26Å; H63-W110 HydrophobicContact CB-CG 3.67Å; H63-W110 AromaticContact CD2-CD2 3.59Å; H63-W110 AromaticContact CD2-CE3 3.83Å; H63-W110 AromaticContact CD2-CG 3.65Å; H63-W110 AromaticContact CE1-CD2 3.48Å; H63-W110 VanDerWaalsContact CE1-CD2 3.48Å; H63-W110 AromaticContact CE1-CE2 3.42Å; H63-W110 VanDerWaalsContact CE1-CE2 3.42Å; H63-W110 AromaticContact CE1-CE3 3.55Å; H63-W110 AromaticContact CE1-CH2 3.52Å; H63-W110 AromaticContact CE1-CZ2 3.45Å; H63-W110 VanDerWaalsContact CE1-CZ2 3.45Å; H63-W110 WeakPolarHBondContact CE1-CZ2 3.45Å; H63-W110 AromaticContact CE1-CZ3 3.57Å; H63-W110 AromaticContact CG-CD1 3.5Å; H63-W110 VanDerWaalsContact CG-CD1 3.5Å; H63-W110 AromaticContact CG-CD2 3.5Å; H63-W110 AromaticContact CG-CE2 3.66Å; H63-W110 AromaticContact CG-CG 3.41Å; H63-W110 VanDerWaalsContact CG-CG 3.41Å; H63-W110 AromaticContact CG-NE1 3.64Å; H63-W110 AromaticContact ND1-CD1 3.78Å; H63-W110 AromaticContact ND1-CD2 3.45Å; H63-W110 AromaticContact ND1-CE2 3.17Å; H63-W110 AromaticContact ND1-CG 3.84Å; H63-W110 AromaticContact ND1-CZ2 3.54Å; H63-W110 AromaticContact ND1-NE1 3.4Å; H63-W110 PolarHBondContact ND1-NE1 2.64Å; H63-W110 AromaticContact NE2-CD2 3.6Å; H63-W110 AromaticContact NE2-CE3 3.43Å; H63-W110 AromaticContact NE2-CZ3 3.73Å
64F98.2Very high97.7Very high0 Ų038.4 Ų38.40%020%0.196CC..Hα-helixtrans-77.3-41.7180-63.9-73.3000111.6G60 V61 E62 L66 K67 I68 F109 W110 M294 V297 E298 W301G60-F64 WeakPolarHBondContact O-CD2 3.39Å; G60-F64 WeakPolarHBondContact O-CE2 3.33Å; V61-F64 PolarHBondContact O-N 2.85Å; E62-F64 VanDerWaalsContact C-N 3.26Å; E62-F64 PolarHBondContact O-N 2.92Å; F64-L66 PolarHBondContact O-N 3.05Å; F64-K67 PolarHBondContact O-N 3.18Å; F64-I68 WeakPolarHBondContact O-CG1 3.23Å; F64-F109 HydrophobicContact CE2-CB 3.88Å; F64-F109 HydrophobicContact CZ-CB 3.55Å; F64-W110 HydrophobicContact CE2-CB 3.81Å; F64-W110 HydrophobicContact CZ-CB 4.06Å; F64-M294 HydrophobicContact CE1-CE 3.54Å; F64-M294 HydrophobicContact CZ-CE 3.65Å; F64-V297 HydrophobicContact CD1-CG1 3.78Å; F64-V297 HydrophobicContact CE1-CB 4.2Å; F64-V297 HydrophobicContact CE1-CG1 3.39Å; F64-V297 HydrophobicContact CE2-CG1 4.26Å; F64-V297 HydrophobicContact CG-CG1 4.35Å; F64-V297 HydrophobicContact CZ-CG1 3.68Å; F64-E298 HydrophobicContact CD1-CG 3.83Å; F64-E298 HydrophobicContact CE1-CG 4.31Å; F64-W301 HydrophobicContact CB-CG 4.14Å; F64-W301 AromaticContact CD2-NE1 3.82Å; F64-W301 AromaticContact CG-CD1 3.78Å; F64-W301 AromaticContact CG-NE1 3.79Å
65L98.5Very high97.9Very high1 Ų134.8 Ų34.81%0.00518%0.181CC..Hα-helixtrans-61.2-45.2-179.7-62.5-177.5000111.9Y39 L46 V61 E62 K67 I68 V69 F77 W301 L305Y39-L65 HydrophobicContact CD1-CD1 3.99Å; Y39-L65 HydrophobicContact CE1-CD1 4.02Å; Y39-L65 HydrophobicContact CG-CD1 4.45Å; L46-L65 HydrophobicContact CD1-CB 4.27Å; L46-L65 HydrophobicContact CD1-CD1 3.98Å; L46-L65 HydrophobicContact CD2-CB 3.75Å; L46-L65 HydrophobicContact CD2-CD1 4.18Å; V61-L65 HydrophobicContact CG1-CD1 3.68Å; V61-L65 HydrophobicContact CG1-CG 3.88Å; V61-L65 PolarHBondContact O-N 2.66Å; V61-L65 VanDerWaalsContact O-N 3.1Å; E62-L65 PolarHBondContact O-N 2.86Å; L65-K67 PolarHBondContact O-N 3.33Å; L65-I68 WeakPolarHBondContact O-CG1 3.49Å; L65-I68 PolarHBondContact O-N 3.33Å; L65-I68 VanDerWaalsContact O-N 3.13Å; L65-V69 WeakPolarHBondContact O-CB 3.25Å; L65-V69 PolarHBondContact O-N 3Å; L65-F77 HydrophobicContact CD1-CZ 3.85Å; L65-F77 HydrophobicContact CD2-CZ 4.25Å; L65-W301 HydrophobicContact CD2-CD2 4.48Å; L65-W301 HydrophobicContact CD2-CE3 3.96Å; L65-W301 HydrophobicContact CD2-CZ3 4.08Å; L65-L305 HydrophobicContact CD2-CD1 3.43Å; L65-L305 VanDerWaalsContact CD2-CD1 3.43Å
66L98.3Very high98Very high49 Ų4931.3 Ų31.326%0.25717%0.165SC..Hα-helixtrans-63.9-27.5-180-71.4169.7000113.1L46 E62 F64 I68 I325L46-L66 HydrophobicContact CB-CD2 4.11Å; L46-L66 HydrophobicContact CD2-CD2 3.89Å; L46-L66 HydrophobicContact CD2-CG 3.95Å; E62-L66 VanDerWaalsContact O-CB 3.31Å; E62-L66 WeakPolarHBondContact O-CB 3.4Å; E62-L66 VanDerWaalsContact O-CG 3.24Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 3.47Å; F64-L66 PolarHBondContact O-N 3.05Å; L66-I68 VanDerWaalsContact C-N 3.28Å; L66-I68 PolarHBondContact O-N 3.43Å; L66-I325 HydrophobicContact CD1-CG2 4.25Å; L66-I325 HydrophobicContact CD2-CG2 4.43Å
67K97.4Very high98.1Very high90 Ų9028.6 Ų28.639%0.39115%0.145SC..Hα-helixtrans-72.2-20.5176.2-78.6178.7166.6177.80114.2H63 F64 L65 E298H63-K67 WeakPolarHBondContact NE2-CE 3.33Å; H63-K67 PolarHBondContact NE2-NZ 2.86Å; H63-K67 WeakPolarHBondContact O-CG 3.41Å; F64-K67 PolarHBondContact O-N 3.18Å; L65-K67 PolarHBondContact O-N 3.33Å; K67-E298 HydrophobicContact CD-CG 4.25Å; K67-E298 VanDerWaalsContact CD-OE1 3.3Å; K67-E298 WeakPolarHBondContact CD-OE1 3.31Å; K67-E298 IonicContact NZ-OE1 3.37Å; K67-E298 PolarHBondContact NZ-OE1 2.97Å
68I97.3Very high98Very high7 Ų728.5 Ų28.54%0.03615%0.147CC..Hα-helixtrans-121.3-2.9-173.564173.4000112.8F64 L65 L66 D70 Q71 L72 W301 K302 L305F64-I68 WeakPolarHBondContact O-CG1 3.23Å; L65-I68 WeakPolarHBondContact O-CG1 3.49Å; L65-I68 PolarHBondContact O-N 3.33Å; L65-I68 VanDerWaalsContact O-N 3.13Å; L66-I68 VanDerWaalsContact C-N 3.28Å; L66-I68 PolarHBondContact O-N 3.43Å; I68-D70 PolarHBondContact O-N 3.45Å; I68-Q71 WeakPolarHBondContact O-CA 3.49Å; I68-Q71 WeakPolarHBondContact O-CB 3.27Å; I68-Q71 PolarHBondContact O-N 3.38Å; I68-L72 HydrophobicContact CD1-CD1 3.98Å; I68-L72 HydrophobicContact CD1-CD2 4.3Å; I68-L72 HydrophobicContact CD1-CG 4.31Å; I68-L72 HydrophobicContact CG1-CD1 3.93Å; I68-L72 HydrophobicContact CG1-CG 4.21Å; I68-L72 WeakPolarHBondContact O-CG 3.41Å; I68-L72 PolarHBondContact O-N 3.47Å; I68-W301 HydrophobicContact CD1-CB 3.79Å; I68-K302 HydrophobicContact CB-CB 4.43Å; I68-K302 HydrophobicContact CD1-CB 4.08Å; I68-K302 HydrophobicContact CG2-CB 4.25Å; I68-L305 HydrophobicContact CD1-CD1 4.42Å
69V98.2Very high98Very high19 Ų1928.8 Ų28.812%0.11515%0.149CC..G310 helixtrans-58.5-32.6-172.271.10000112.9V41 H44 L46 L65 Q71 L72V41-V69 HydrophobicContact CG1-CG2 3.77Å; V41-V69 HydrophobicContact CG2-CG2 4.24Å; H44-V69 PolarHBondContact ND1-O 3.16Å; H44-V69 WeakPolarHBondContact O-CG2 3.37Å; L46-V69 HydrophobicContact CB-CG2 4.15Å; L65-V69 WeakPolarHBondContact O-CB 3.25Å; L65-V69 PolarHBondContact O-N 3Å; V69-Q71 PolarHBondContact O-N 2.84Å; V69-L72 PolarHBondContact O-N 3.3Å
70D97.6Very high98Very high100 Ų10029.1 Ų29.154%0.53515%0.149SC..G310 helixtrans-68.5-17.8175.967.6-29.1000113.8H44 I68H44-D70 PolarHBondContact ND1-O 3.02Å; I68-D70 PolarHBondContact O-N 3.45Å
71Q97.3Very high97.8Very high90 Ų9029.1 Ų29.142%0.42115%0.149SC..G310 helixtrans-111.4-2.1-177.2-65157.87500112.9I68 V69 K302I68-Q71 WeakPolarHBondContact O-CA 3.49Å; I68-Q71 WeakPolarHBondContact O-CB 3.27Å; I68-Q71 PolarHBondContact O-N 3.38Å; V69-Q71 PolarHBondContact O-N 2.84Å; Q71-K302 HydrophobicContact CB-CD 4.41Å
72L98.2Very high97.6Very high2 Ų232.8 Ų32.81%0.0117%0.166CC..PPolyproline II helixtrans-90.5142.7178.4-70.1178.4000110.8V41 H44 I68 V69 L305V41-L72 HydrophobicContact CG1-CB 4.31Å; V41-L72 HydrophobicContact CG2-CD1 4.12Å; H44-L72 PolarHBondContact CE1-O 3.13Å; H44-L72 PolarHBondContact ND1-O 2.44Å; I68-L72 HydrophobicContact CD1-CD1 3.98Å; I68-L72 HydrophobicContact CD1-CD2 4.3Å; I68-L72 HydrophobicContact CD1-CG 4.31Å; I68-L72 HydrophobicContact CG1-CD1 3.93Å; I68-L72 HydrophobicContact CG1-CG 4.21Å; I68-L72 WeakPolarHBondContact O-CG 3.41Å; I68-L72 PolarHBondContact O-N 3.47Å; V69-L72 PolarHBondContact O-N 3.3Å; L72-L305 HydrophobicContact CD1-CB 4.28Å; L72-L305 HydrophobicContact CD1-CD1 3.72Å; L72-L305 HydrophobicContact CD2-CB 3.7Å; L72-L305 HydrophobicContact CD2-CD1 4.5Å
73P98.3Very high97.4Very high54 Ų5435.6 Ų35.635%0.35118%0.181SC..PPolyproline II helixtrans-68.3169162.933.5-36.4000110.4V75 A309P73-V75 PolarHBondContact O-N 2.85Å; P73-A309 HydrophobicContact CB-CB 4.46Å; P73-A309 HydrophobicContact CG-CB 3.52Å
74D98.6Very high97.1Very high65 Ų6538.6 Ų38.635%0.34819%0.192SC..SBendtrans-57.3126.7169.1-70.6-2.9000110.1V41 V42 D43 V316V41-D74 CarbonylContact O-C 3.25Å; V41-D74 WeakPolarHBondContact O-CA 3.47Å; V42-D74 WeakPolarHBondContact CA-OD1 3.29Å; D43-D74 PolarHBondContact N-OD1 2.77Å; D74-V316 HydrophobicContact CB-CB 4.25Å
75V98.7Very high97Very high0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-150.1141.5-174.364.30000110.7Q40 V41 P73 F77 Y308 A309 L312Q40-V75 CarbonylContact C-O 3.45Å; Q40-V75 VanDerWaalsContact CA-O 3.32Å; Q40-V75 WeakPolarHBondContact CA-O 3.43Å; V41-V75 HydrophobicContact CB-CG1 3.86Å; V41-V75 HydrophobicContact CG2-CG1 3.92Å; V41-V75 PolarHBondContact N-O 2.77Å; V41-V75 PolarHBondContact O-N 3.28Å; P73-V75 PolarHBondContact O-N 2.85Å; V75-F77 HydrophobicContact CG1-CD1 4.42Å; V75-F77 HydrophobicContact CG1-CE1 4.47Å; V75-F77 HydrophobicContact CG2-CD1 4.33Å; V75-Y308 HydrophobicContact CG2-CD1 3.56Å; V75-Y308 HydrophobicContact CG2-CE1 3.83Å; V75-A309 HydrophobicContact CB-CB 3.85Å; V75-A309 HydrophobicContact CG2-CB 3.78Å; V75-L312 HydrophobicContact CG2-CD1 4.24Å
76E98.4Very high96.7Very high8 Ų842.9 Ų42.94%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-124130172.1-176.817998.600109.6Y32 L38 Y39 Q40 Y308 V316Y32-E76 WeakPolarHBondContact CE1-OE1 3.36Å; Y32-E76 VanDerWaalsContact CZ-OE1 3.27Å; Y32-E76 PolarHBondContact OH-OE1 3.32Å; L38-E76 HydrophobicContact CD1-CG 3.52Å; Y39-E76 WeakPolarHBondContact O-CA 3.26Å; Q40-E76 HydrophobicContact CG-CB 4.11Å; Q40-E76 HydrophobicContact CG-CG 3.81Å; Q40-E76 PolarHBondContact NE2-OE2 3.2Å; E76-Y308 VanDerWaalsContact O-CE1 3.27Å; E76-Y308 WeakPolarHBondContact O-CE1 3.44Å; E76-Y308 PolarHBondContact O-OH 2.93Å; E76-V316 HydrophobicContact CB-CG1 3.98Å; E76-V316 HydrophobicContact CB-CG2 4.01Å
77F98Very high96.3Very high16 Ų1643.3 Ų43.37%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-146.1154.9179.261.4-86.1000111.7Y39 L65 V75 L79 L305 Y308Y39-F77 VanDerWaalsContact CB-CZ 3.42Å; Y39-F77 AromaticContact CD2-CE2 3.86Å; Y39-F77 HydrophobicContact CD2-CE2 3.86Å; Y39-F77 HydrophobicContact CD2-CZ 4.24Å; Y39-F77 AromaticContact CG-CE2 3.95Å; Y39-F77 HydrophobicContact CG-CE2 3.95Å; Y39-F77 AromaticContact CG-CZ 3.87Å; Y39-F77 HydrophobicContact CG-CZ 3.87Å; Y39-F77 PolarHBondContact N-O 3.21Å; Y39-F77 PolarHBondContact O-N 3.38Å; L65-F77 HydrophobicContact CD1-CZ 3.85Å; L65-F77 HydrophobicContact CD2-CZ 4.25Å; V75-F77 HydrophobicContact CG1-CD1 4.42Å; V75-F77 HydrophobicContact CG1-CE1 4.47Å; V75-F77 HydrophobicContact CG2-CD1 4.33Å; F77-L79 HydrophobicContact CD2-CB 4.43Å; F77-L79 HydrophobicContact CE2-CB 4.34Å; F77-L79 HydrophobicContact CE2-CD1 4.33Å; F77-L305 HydrophobicContact CD1-CD2 3.83Å; F77-L305 HydrophobicContact CE1-CD1 4.3Å; F77-L305 HydrophobicContact CE1-CD2 3.78Å; F77-L305 HydrophobicContact CG-CD2 4.27Å; F77-L305 HydrophobicContact CZ-CD1 4.46Å; F77-L305 HydrophobicContact CZ-CD2 4.17Å; F77-Y308 HydrophobicContact CB-CE1 3.85Å
78L97.2Very high96Very high32 Ų3241.1 Ų41.117%0.16821%0.214CC..EExtended strand (participates in β ladder)trans-104.9117.7176.1-72156.5000108.7L30 P31 Y32 H36 L38L30-L78 HydrophobicContact CB-CD1 3.79Å; P31-L78 VanDerWaalsContact C-CD1 3.5Å; P31-L78 VanDerWaalsContact CD-CD1 3.46Å; P31-L78 HydrophobicContact CG-CD1 3.89Å; Y32-L78 HydrophobicContact CD1-CD1 4.39Å; Y32-L78 HydrophobicContact CD1-CD2 4.41Å; H36-L78 HydrophobicContact CB-CB 3.92Å; H36-L78 HydrophobicContact CB-CD2 3.84Å; H36-L78 HydrophobicContact CB-CG 4.45Å; L38-L78 HydrophobicContact CB-CD2 4.01Å; L38-L78 HydrophobicContact CD1-CD2 4.02Å; L38-L78 HydrophobicContact CD1-CG 4.3Å
79L97.4Very high95.6Very high6 Ų644.1 Ų44.13%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-97.1126.5-180-175.2139.9000110.7V37 Y39 V61 F77 D81 Y104 W301V37-L79 HydrophobicContact CB-CB 4.49Å; V37-L79 PolarHBondContact N-O 3.44Å; V37-L79 PolarHBondContact O-N 3.13Å; Y39-L79 HydrophobicContact CD2-CB 4.04Å; Y39-L79 HydrophobicContact CE2-CB 4.08Å; Y39-L79 HydrophobicContact CE2-CD1 4.4Å; V61-L79 HydrophobicContact CB-CD1 4.33Å; V61-L79 HydrophobicContact CG1-CD1 3.7Å; V61-L79 HydrophobicContact CG2-CD1 3.91Å; F77-L79 HydrophobicContact CD2-CB 4.43Å; F77-L79 HydrophobicContact CE2-CB 4.34Å; F77-L79 HydrophobicContact CE2-CD1 4.33Å; L79-D81 HydrophobicContact CD2-CB 3.95Å; L79-Y104 HydrophobicContact CD1-CE1 4.29Å; L79-Y104 HydrophobicContact CD1-CE2 4.25Å; L79-Y104 HydrophobicContact CG-CE1 4.18Å; L79-W301 HydrophobicContact CD1-CH2 4.15Å
80N96.1Very high94.9Very high23 Ų2350.1 Ų50.112%0.12325%0.254CS..  trans-84.3114.3167.5-179.913.9000109.4H82 Y84 Y104N80-H82 VanDerWaalsContact OD1-CB 3.3Å; N80-H82 WeakPolarHBondContact OD1-CB 3.25Å; N80-H82 PolarHBondContact OD1-N 2.9Å; N80-Y84 PolarHBondContact ND2-O 3.18Å; N80-Y104 PolarHBondContact O-OH 3.34Å
81D94.3Very high94.2Very high0 Ų051.3 Ų51.30%027%0.271CS..  trans-96.63.9176.970.4-20.3000112.7T53 F54 R57 L79T53-D81 WeakPolarHBondContact CB-OD2 3.44Å; T53-D81 PolarHBondContact N-OD2 2.92Å; F54-D81 HydrophobicContact CD2-CB 4.43Å; F54-D81 WeakPolarHBondContact CD2-O 3.4Å; F54-D81 PolarHBondContact N-OD2 3.1Å; R57-D81 HydrophobicContact CB-CB 4.43Å; R57-D81 WeakPolarHBondContact CD-O 3.07Å; R57-D81 PolarHBondContact NH1-O 2.88Å; L79-D81 HydrophobicContact CD2-CB 3.95Å
82H94.8Very high93.7Very high76 Ų7655.1 Ų55.135%0.35229%0.286SS..SBendtrans-82.9164.1172.4-66.2-95.1000112.4F54 N80F54-H82 AromaticContact CE2-CE1 3.85Å; F54-H82 AromaticContact CE2-ND1 3.62Å; N80-H82 VanDerWaalsContact OD1-CB 3.3Å; N80-H82 WeakPolarHBondContact OD1-CB 3.25Å; N80-H82 PolarHBondContact OD1-N 2.9Å
83D94Very high93.1Very high76 Ų7656.4 Ų56.441%0.40629%0.294SS..SBendtrans-69.7-30.8178.5-71.57.7000113R57 V216 A217R57-D83 IonicContact CZ-OD1 3.57Å; R57-D83 IonicContact NH1-OD1 2.77Å; R57-D83 PolarHBondContact NH1-OD1 3.28Å; R57-D83 IonicContact NH2-OD1 2.89Å; R57-D83 PolarHBondContact NH2-OD1 2.89Å; D83-V216 HydrophobicContact CB-CB 4.07Å; D83-V216 HydrophobicContact CB-CG1 3.68Å; D83-A217 WeakPolarHBondContact O-CB 3.38Å
84Y92.8Very high92.6Very high97 Ų9761 Ų6138%0.3831%0.308SS..SBendtrans-101.7137.1-171.8-148.5-108000110.6N80 Y99 V216 W239N80-Y84 PolarHBondContact ND2-O 3.18Å; Y84-Y99 WeakPolarHBondContact CE1-OH 3.42Å; Y84-Y99 PolarHBondContact OH-OH 3.28Å; Y84-V216 HydrophobicContact CD2-CG1 3.96Å; Y84-V216 WeakPolarHBondContact CD2-O 3.49Å; Y84-V216 WeakPolarHBondContact CE2-O 3.41Å; Y84-W239 AromaticContact CD2-CH2 3.94Å; Y84-W239 HydrophobicContact CD2-CH2 3.94Å; Y84-W239 HydrophobicContact CE1-CH2 4.48Å; Y84-W239 AromaticContact CE2-CH2 3.28Å; Y84-W239 HydrophobicContact CE2-CH2 3.28Å; Y84-W239 AromaticContact CE2-CZ2 3.62Å; Y84-W239 HydrophobicContact CE2-CZ2 3.62Å; Y84-W239 HydrophobicContact CE2-CZ3 4.24Å; Y84-W239 AromaticContact CZ-CH2 3.58Å; Y84-W239 AromaticContact CZ-CZ2 4Å
85P94.5Very high92.2Very high26 Ų2661 Ų6117%0.16931%0.307CS..  trans-67162.517529.4-35.8000111.9Y99 D101 W239P85-Y99 HydrophobicContact CB-CD1 3.59Å; P85-Y99 HydrophobicContact CB-CD2 4.13Å; P85-Y99 HydrophobicContact CB-CE1 3.91Å; P85-Y99 HydrophobicContact CB-CE2 4.41Å; P85-Y99 HydrophobicContact CB-CG 3.7Å; P85-Y99 HydrophobicContact CG-CD1 3.68Å; P85-Y99 HydrophobicContact CG-CD2 3.55Å; P85-Y99 HydrophobicContact CG-CE1 3.61Å; P85-Y99 HydrophobicContact CG-CE2 3.46Å; P85-Y99 VanDerWaalsContact CG-CE2 3.46Å; P85-Y99 HydrophobicContact CG-CG 3.65Å; P85-Y99 VanDerWaalsContact CG-CZ 3.49Å; P85-Y99 WeakPolarHBondContact O-CE1 3.48Å; P85-D101 WeakPolarHBondContact CA-OD1 3.35Å; P85-D101 HydrophobicContact CB-CB 4.07Å; P85-W239 HydrophobicContact CG-CH2 4.33Å; P85-W239 HydrophobicContact CG-CZ3 3.84Å
86F92.4Very high91.8Very high65 Ų6562.2 Ų62.229%0.28532%0.315SS..  trans-116.8-46.8-163.1-174.4-90.1000114.4P31 R35 H36 S88 D101P31-F86 HydrophobicContact CB-CE1 4.38Å; R35-F86 HydrophobicContact CB-CE2 4.38Å; R35-F86 VanDerWaalsContact NH2-CZ 3.33Å; H36-F86 AromaticContact CE1-CD1 3.7Å; H36-F86 AromaticContact CE1-CE1 3.55Å; H36-F86 AromaticContact CE1-CE2 3.97Å; H36-F86 AromaticContact CE1-CG 3.98Å; H36-F86 AromaticContact CE1-CZ 3.66Å; H36-F86 AromaticContact NE2-CD1 3.58Å; H36-F86 AromaticContact NE2-CD2 3.82Å; H36-F86 AromaticContact NE2-CE1 3.92Å; H36-F86 AromaticContact NE2-CG 3.51Å; F86-S88 PolarHBondContact O-N 3.38Å; F86-S88 VanDerWaalsContact O-N 3.12Å; F86-D101 VanDerWaalsContact N-CG 3.3Å; F86-D101 PolarHBondContact N-OD1 3.15Å; F86-D101 PolarHBondContact N-OD2 2.79Å
87V91.2Very high91.5Very high58 Ų5866 Ų6635%0.35234%0.342SS..  trans-88.779.1-170.8-169.90000110.3Y99 L100 D101V87-Y99 CarbonylContact O-C 3.57Å; V87-Y99 VanDerWaalsContact O-CA 3.28Å; V87-Y99 WeakPolarHBondContact O-CA 3.3Å; V87-L100 HydrophobicContact CB-CB 4.18Å; V87-L100 HydrophobicContact CG1-CB 3.84Å; V87-L100 HydrophobicContact CG1-CD1 4.14Å; V87-L100 HydrophobicContact CG1-CG 4.33Å; V87-L100 PolarHBondContact O-N 3.4Å; V87-D101 PolarHBondContact N-OD2 2.92Å
88S91Very high91.3Very high43 Ų4366.2 Ų66.230%0.30134%0.344SS..BIsolated β-bridgetrans-75.4137.6179.9-174.40000112.9F86 Y90 P93 D98F86-S88 PolarHBondContact O-N 3.38Å; F86-S88 VanDerWaalsContact O-N 3.12Å; S88-Y90 PolarHBondContact OG-N 3.49Å; S88-Y90 VanDerWaalsContact OG-N 3.1Å; S88-Y90 PolarHBondContact OG-O 2.95Å; S88-P93 WeakPolarHBondContact OG-CB 3.18Å; S88-P93 WeakPolarHBondContact OG-CD 3.47Å; S88-P93 WeakPolarHBondContact OG-CG 3.48Å; S88-D98 WeakPolarHBondContact CA-O 3.2Å
89T87.9Confident91.2Very high71 Ų7165.7 Ų65.744%0.43634%0.34SS..SBendtrans-88.2-8.1166.959.20000112.9D98 L100T89-D98 PolarHBondContact N-O 3.44Å; T89-D98 PolarHBondContact OG1-O 3.04Å; T89-D98 VanDerWaalsContact OG1-O 3.14Å; T89-L100 HydrophobicContact CG2-CD1 3.94Å; T89-L100 HydrophobicContact CG2-CD2 3.51Å; T89-L100 HydrophobicContact CG2-CG 3.44Å; T89-L100 VanDerWaalsContact CG2-CG 3.44Å
90Y84.9Confident91.1Very high145 Ų14568.2 Ų68.257%0.56935%0.353SS*.SBendtrans-121.9156.3-177.8-66.6-89.1000111.9S88 K92 D98S88-Y90 PolarHBondContact OG-N 3.49Å; S88-Y90 VanDerWaalsContact OG-N 3.1Å; S88-Y90 PolarHBondContact OG-O 2.95Å; Y90-K92 VanDerWaalsContact C-N 3.29Å; Y90-K92 PolarHBondContact O-N 3.28Å; Y90-D98 HydrophobicContact CD2-CB 3.62Å; Y90-D98 HydrophobicContact CE2-CB 4.22Å; Y90-D98 HydrophobicContact CG-CB 4.48Å
91S82.9Confident91.1Very high125 Ų12569.1 Ų69.187%0.87436%0.358SS*.SBendtrans-69.8-26.8176.458.10000113.3
92K85.8Confident91.2Very high170 Ų17071.2 Ų71.274%0.73937%0.369SS*.SBendtrans-138.674-180-66.6-176.3-177.4177.40109.7Y90Y90-K92 VanDerWaalsContact C-N 3.29Å; Y90-K92 PolarHBondContact O-N 3.28Å
93P86.4Confident91.3Very high28 Ų2868.9 Ų68.918%0.18236%0.358CS..  trans-64141-179.729.1-37000111.1S88 D98 Y99S88-P93 WeakPolarHBondContact OG-CB 3.18Å; S88-P93 WeakPolarHBondContact OG-CD 3.47Å; S88-P93 WeakPolarHBondContact OG-CG 3.48Å; P93-D98 WeakPolarHBondContact CA-OD2 3.41Å; P93-D98 HydrophobicContact CB-CB 3.6Å; P93-Y99 HydrophobicContact CB-CD2 4.25Å; P93-Y99 HydrophobicContact CB-CE1 4.1Å; P93-Y99 HydrophobicContact CB-CE2 3.44Å; P93-Y99 VanDerWaalsContact CB-CE2 3.44Å; P93-Y99 WeakPolarHBondContact CB-OH 3.45Å; P93-Y99 HydrophobicContact CG-CE1 3.94Å; P93-Y99 HydrophobicContact CG-CE2 4.04Å; P93-Y99 WeakPolarHBondContact CG-OH 3.24Å
94K87Confident91.5Very high150 Ų15067.3 Ų67.365%0.65235%0.347SS*.  trans-123.3-24.2-175.8-64.9-179.9-176.9174.20113.1D98K94-D98 PolarHBondContact N-OD2 2.99Å
95M89.9Confident91.7Very high65 Ų6562.7 Ų62.732%0.3233%0.329SS..SBendtrans-140.1164.7-174.559-178.872.700111.1S97 D98 Y99 D238M95-S97 WeakPolarHBondContact CG-OG 3.13Å; M95-S97 PolarHBondContact O-N 3.05Å; M95-S97 PolarHBondContact SD-OG 3.22Å; M95-D98 WeakPolarHBondContact CG-OD2 3.01Å; M95-D98 PolarHBondContact N-OD2 3.24Å; M95-D98 VanDerWaalsContact N-OD2 3.17Å; M95-D98 VanDerWaalsContact O-CB 3.31Å; M95-D98 WeakPolarHBondContact O-CB 3.16Å; M95-D98 PolarHBondContact O-N 2.93Å; M95-Y99 WeakPolarHBondContact O-CD2 3.1Å; M95-D238 CarbonylContact C-O 3.54Å; M95-D238 WeakPolarHBondContact CA-O 3.48Å; M95-D238 HydrophobicContact CB-CB 3.75Å; M95-D238 WeakPolarHBondContact CB-O 3.31Å
96T90.6Very high91.9Very high26 Ų2662 Ų6216%0.1633%0.325CS..G310 helixtrans-57.9-34.9-178.3-61.50000112.7D98 Y99 M103 D238 W239 Q240T96-D98 PolarHBondContact O-N 3.02Å; T96-D98 VanDerWaalsContact O-N 3.16Å; T96-Y99 PolarHBondContact O-N 3.06Å; T96-M103 HydrophobicContact CG2-SD 4.32Å; T96-D238 PolarHBondContact N-O 3.34Å; T96-D238 PolarHBondContact OG1-O 3.13Å; T96-W239 WeakPolarHBondContact OG1-CA 3.46Å; T96-Q240 HydrophobicContact CG2-CB 4.12Å; T96-Q240 HydrophobicContact CG2-CG 4.49Å; T96-Q240 PolarHBondContact OG1-N 3.42Å
97S91.9Very high92.2Very high89 Ų8959.5 Ų59.562%0.62231%0.314SS*.G310 helixtrans-68.8-8.8178.4550000114.6M95 Y99M95-S97 WeakPolarHBondContact CG-OG 3.13Å; M95-S97 PolarHBondContact O-N 3.05Å; M95-S97 PolarHBondContact SD-OG 3.22Å; S97-Y99 PolarHBondContact O-N 2.82Å
98D93.9Very high92.5Very high19 Ų1956.8 Ų56.810%0.10230%0.298CS..G310 helixtrans-82.82.8174.7-60.8-21.2000112.5S88 T89 Y90 P93 K94 M95 T96S88-D98 WeakPolarHBondContact CA-O 3.2Å; T89-D98 PolarHBondContact N-O 3.44Å; T89-D98 PolarHBondContact OG1-O 3.04Å; T89-D98 VanDerWaalsContact OG1-O 3.14Å; Y90-D98 HydrophobicContact CD2-CB 3.62Å; Y90-D98 HydrophobicContact CE2-CB 4.22Å; Y90-D98 HydrophobicContact CG-CB 4.48Å; P93-D98 WeakPolarHBondContact CA-OD2 3.41Å; P93-D98 HydrophobicContact CB-CB 3.6Å; K94-D98 PolarHBondContact N-OD2 2.99Å; M95-D98 WeakPolarHBondContact CG-OD2 3.01Å; M95-D98 PolarHBondContact N-OD2 3.24Å; M95-D98 VanDerWaalsContact N-OD2 3.17Å; M95-D98 VanDerWaalsContact O-CB 3.31Å; M95-D98 WeakPolarHBondContact O-CB 3.16Å; M95-D98 PolarHBondContact O-N 2.93Å; T96-D98 PolarHBondContact O-N 3.02Å; T96-D98 VanDerWaalsContact O-N 3.16Å
99Y95.2Very high92.9Very high21 Ų2154.8 Ų54.88%0.08228%0.283CS..BIsolated β-bridgetrans-122.7149.4-176.8-64.1-92.1000111.9Y84 P85 V87 P93 M95 T96 S97 W239Y84-Y99 WeakPolarHBondContact CE1-OH 3.42Å; Y84-Y99 PolarHBondContact OH-OH 3.28Å; P85-Y99 HydrophobicContact CB-CD1 3.59Å; P85-Y99 HydrophobicContact CB-CD2 4.13Å; P85-Y99 HydrophobicContact CB-CE1 3.91Å; P85-Y99 HydrophobicContact CB-CE2 4.41Å; P85-Y99 HydrophobicContact CB-CG 3.7Å; P85-Y99 HydrophobicContact CG-CD1 3.68Å; P85-Y99 HydrophobicContact CG-CD2 3.55Å; P85-Y99 HydrophobicContact CG-CE1 3.61Å; P85-Y99 HydrophobicContact CG-CE2 3.46Å; P85-Y99 VanDerWaalsContact CG-CE2 3.46Å; P85-Y99 HydrophobicContact CG-CG 3.65Å; P85-Y99 VanDerWaalsContact CG-CZ 3.49Å; P85-Y99 WeakPolarHBondContact O-CE1 3.48Å; V87-Y99 CarbonylContact O-C 3.57Å; V87-Y99 VanDerWaalsContact O-CA 3.28Å; V87-Y99 WeakPolarHBondContact O-CA 3.3Å; P93-Y99 HydrophobicContact CB-CD2 4.25Å; P93-Y99 HydrophobicContact CB-CE1 4.1Å; P93-Y99 HydrophobicContact CB-CE2 3.44Å; P93-Y99 VanDerWaalsContact CB-CE2 3.44Å; P93-Y99 WeakPolarHBondContact CB-OH 3.45Å; P93-Y99 HydrophobicContact CG-CE1 3.94Å; P93-Y99 HydrophobicContact CG-CE2 4.04Å; P93-Y99 WeakPolarHBondContact CG-OH 3.24Å; M95-Y99 WeakPolarHBondContact O-CD2 3.1Å; T96-Y99 PolarHBondContact O-N 3.06Å; S97-Y99 PolarHBondContact O-N 2.82Å; Y99-W239 HydrophobicContact CE2-CH2 4.31Å
100L94.8Very high93.4Very high60 Ų6054.2 Ų54.231%0.31427%0.273SS..  trans-93.41.6170-58179.4000112.6P20 F21 V87 T89 I102P20-L100 HydrophobicContact CB-CD2 4.17Å; P20-L100 HydrophobicContact CG-CD2 4.04Å; F21-L100 HydrophobicContact CZ-CB 4.26Å; V87-L100 HydrophobicContact CB-CB 4.18Å; V87-L100 HydrophobicContact CG1-CB 3.84Å; V87-L100 HydrophobicContact CG1-CD1 4.14Å; V87-L100 HydrophobicContact CG1-CG 4.33Å; V87-L100 PolarHBondContact O-N 3.4Å; T89-L100 HydrophobicContact CG2-CD1 3.94Å; T89-L100 HydrophobicContact CG2-CD2 3.51Å; T89-L100 HydrophobicContact CG2-CG 3.44Å; T89-L100 VanDerWaalsContact CG2-CG 3.44Å; L100-I102 PolarHBondContact O-N 2.76Å
101D96.2Very high94Very high41 Ų4150.3 Ų50.322%0.21926%0.26CS..PPolyproline II helixtrans-55.2130173.5-65.3-122.1000110.4P85 F86 V87P85-D101 WeakPolarHBondContact CA-OD1 3.35Å; P85-D101 HydrophobicContact CB-CB 4.07Å; F86-D101 VanDerWaalsContact N-CG 3.3Å; F86-D101 PolarHBondContact N-OD1 3.15Å; F86-D101 PolarHBondContact N-OD2 2.79Å; V87-D101 PolarHBondContact N-OD2 2.92Å
102I96.9Very high94.7Very high44 Ų4444.8 Ų44.823%0.22622%0.223CC..PPolyproline II helixtrans-86.3121.3177.6-61.3157.4000108.5D17 L18 F21 L100 L304 Y308D17-I102 HydrophobicContact CB-CB 4.41Å; D17-I102 HydrophobicContact CB-CG1 4.4Å; D17-I102 HydrophobicContact CB-CG2 4Å; L18-I102 HydrophobicContact CD2-CD1 3.59Å; L18-I102 HydrophobicContact CD2-CG1 4.13Å; L18-I102 HydrophobicContact CD2-CG2 4.19Å; F21-I102 HydrophobicContact CD2-CD1 4.23Å; F21-I102 HydrophobicContact CE2-CD1 3.95Å; F21-I102 HydrophobicContact CE2-CG1 4.13Å; L100-I102 PolarHBondContact O-N 2.76Å; I102-L304 HydrophobicContact CG2-CD1 3.53Å; I102-L304 HydrophobicContact CG2-CD2 4.44Å; I102-Y308 HydrophobicContact CD1-CD2 3.98Å; I102-Y308 HydrophobicContact CD1-CE2 4.14Å
103M97Very high95.2Very high27 Ų2736.9 Ų36.913%0.13319%0.19CC..PPolyproline II helixtrans-72.1139.6-177.8-74.3-172.5-73.800112.1V13 D17 T96 Q240 F242 Y300V13-M103 HydrophobicContact CG1-CE 3.62Å; D17-M103 WeakPolarHBondContact OD2-CB 3.5Å; D17-M103 PolarHBondContact OD2-N 2.95Å; D17-M103 VanDerWaalsContact OD2-N 3.08Å; T96-M103 HydrophobicContact CG2-SD 4.32Å; M103-Q240 HydrophobicContact CE-CB 4.37Å; M103-Q240 HydrophobicContact SD-CB 4.03Å; M103-F242 HydrophobicContact CB-CB 4.31Å; M103-Y300 PolarHBondContact O-OH 3.27Å
104Y97.5Very high95.7Very high44 Ų4438.8 Ų38.817%0.17320%0.203CC..  trans-126.2160.4171.768.7-91.7000111V61 L79 N80 A106 W107 W301V61-Y104 HydrophobicContact CG2-CE2 3.95Å; L79-Y104 HydrophobicContact CD1-CE1 4.29Å; L79-Y104 HydrophobicContact CD1-CE2 4.25Å; L79-Y104 HydrophobicContact CG-CE1 4.18Å; N80-Y104 PolarHBondContact O-OH 3.34Å; Y104-A106 PolarHBondContact O-N 2.9Å; Y104-A106 VanDerWaalsContact O-N 3.16Å; Y104-W107 HydrophobicContact CE2-CE3 4.29Å; Y104-W107 WeakPolarHBondContact OH-CZ3 3.27Å; Y104-W301 AromaticContact CD2-CH2 3.32Å; Y104-W301 HydrophobicContact CD2-CH2 3.32Å; Y104-W301 AromaticContact CD2-CZ2 3.22Å; Y104-W301 HydrophobicContact CD2-CZ2 3.22Å; Y104-W301 HydrophobicContact CD2-CZ3 4.43Å; Y104-W301 HydrophobicContact CE2-CH2 4.08Å; Y104-W301 AromaticContact CE2-CZ2 3.98Å; Y104-W301 HydrophobicContact CE2-CZ2 3.98Å; Y104-W301 AromaticContact CG-CH2 3.58Å; Y104-W301 HydrophobicContact CG-CH2 3.58Å; Y104-W301 AromaticContact CG-CZ2 3.89Å; Y104-W301 HydrophobicContact CG-CZ2 3.89Å; Y104-W301 HydrophobicContact CG-CZ3 4.34Å
105P97.7Very high96.1Very high0 Ų034.4 Ų34.40%019%0.19CC..  trans-64.8113.9172.9-20.733.2000110.9F109 F242 V297 Y300 W301P105-F109 HydrophobicContact CB-CD2 3.99Å; P105-F109 HydrophobicContact CB-CE2 4.13Å; P105-F242 HydrophobicContact CB-CD1 4.07Å; P105-F242 HydrophobicContact CB-CE1 3.65Å; P105-F242 HydrophobicContact CB-CZ 4.15Å; P105-F242 HydrophobicContact CG-CD1 4.1Å; P105-F242 HydrophobicContact CG-CE1 3.89Å; P105-F242 HydrophobicContact CG-CE2 4.43Å; P105-F242 HydrophobicContact CG-CG 4.45Å; P105-F242 HydrophobicContact CG-CZ 4.06Å; P105-V297 HydrophobicContact CB-CG1 3.61Å; P105-V297 HydrophobicContact CG-CG1 4.12Å; P105-Y300 VanDerWaalsContact CD-CD1 3.43Å; P105-Y300 HydrophobicContact CG-CD1 3.52Å; P105-Y300 HydrophobicContact CG-CE1 4.28Å; P105-Y300 HydrophobicContact CG-CG 4.03Å; P105-W301 HydrophobicContact CG-CG 4.27Å; P105-W301 PolarHBondContact O-NE1 2.97Å
106A98.3Very high96.3Very high11 Ų1133.2 Ų33.29%0.09119%0.185CC..  trans-53.5147.1-173.100000113.4Y104 S108 F109 F220Y104-A106 PolarHBondContact O-N 2.9Å; Y104-A106 VanDerWaalsContact O-N 3.16Å; A106-S108 PolarHBondContact O-N 2.7Å; A106-F109 VanDerWaalsContact O-CD2 3.24Å; A106-F109 WeakPolarHBondContact O-CD2 3Å; A106-F109 PolarHBondContact O-N 3.2Å; A106-F220 HydrophobicContact CB-CE1 3.56Å; A106-F220 HydrophobicContact CB-CZ 3.92Å
107W98.4Very high96.6Very high13 Ų1340.1 Ų40.15%0.04921%0.213CC..G310 helixtrans-42.8-38.4175.250.584.2000114R57 V61 Y104 F109 W110 E111 G112 F220R57-W107 HydrophobicContact CB-CB 4.07Å; R57-W107 HydrophobicContact CB-CD2 3.72Å; R57-W107 HydrophobicContact CB-CE3 4.03Å; R57-W107 HydrophobicContact CB-CG 3.7Å; R57-W107 VanDerWaalsContact CD-CE2 3.42Å; R57-W107 HydrophobicContact CG-CD2 3.74Å; R57-W107 HydrophobicContact CG-CE3 4.36Å; R57-W107 HydrophobicContact CG-CG 3.81Å; R57-W107 HydrophobicContact CG-CZ2 4.34Å; R57-W107 WeakPolarHBondContact O-CB 3.28Å; V61-W107 HydrophobicContact CG2-CB 4.19Å; Y104-W107 HydrophobicContact CE2-CE3 4.29Å; Y104-W107 WeakPolarHBondContact OH-CZ3 3.27Å; W107-F109 PolarHBondContact O-N 2.52Å; W107-W110 PolarHBondContact O-N 3.27Å; W107-E111 CarbonylContact C-O 3.6Å; W107-E111 PolarHBondContact O-N 2.79Å; W107-G112 VanDerWaalsContact CD1-O 3.25Å; W107-G112 PolarHBondContact NE1-O 3.17Å; W107-G112 VanDerWaalsContact NE1-O 3.13Å; W107-F220 AromaticContact CE2-CZ 3.87Å; W107-F220 AromaticContact CZ2-CZ 3.91Å; W107-F220 HydrophobicContact CZ2-CZ 3.91Å; W107-F220 AromaticContact NE1-CE2 3.82Å; W107-F220 AromaticContact NE1-CZ 3.79Å
108S98.4Very high96.7Very high1 Ų138 Ų381%0.00720%0.197CC..G310 helixtrans-65.6-0.9-177.268.50000115.9A106 W110 E111 G124 F220 R223A106-S108 PolarHBondContact O-N 2.7Å; S108-W110 VanDerWaalsContact C-N 3.25Å; S108-E111 WeakPolarHBondContact CA-O 3.38Å; S108-E111 PolarHBondContact N-O 3.42Å; S108-G124 WeakPolarHBondContact O-CA 3.38Å; S108-F220 VanDerWaalsContact CB-CE2 3.46Å; S108-F220 WeakPolarHBondContact OG-CD1 3.47Å; S108-F220 VanDerWaalsContact OG-CD2 3.24Å; S108-F220 WeakPolarHBondContact OG-CD2 3.34Å; S108-F220 WeakPolarHBondContact OG-CE1 3.32Å; S108-F220 WeakPolarHBondContact OG-CE2 3.05Å; S108-F220 WeakPolarHBondContact OG-CG 3.48Å; S108-F220 VanDerWaalsContact OG-CZ 3.3Å; S108-F220 WeakPolarHBondContact OG-CZ 3.31Å; S108-R223 PolarHBondContact O-NH2 3.2Å; S108-R223 PolarHBondContact OG-NH2 3.27Å
109F98.6Very high96.8Very high0 Ų038.7 Ų38.70%020%0.198CC..G310 helixtrans-67.2-30.2162-77.6-75.7000111.6F64 P105 A106 W107 W126 F242 Y243 L292 V297F64-F109 HydrophobicContact CE2-CB 3.88Å; F64-F109 HydrophobicContact CZ-CB 3.55Å; P105-F109 HydrophobicContact CB-CD2 3.99Å; P105-F109 HydrophobicContact CB-CE2 4.13Å; A106-F109 VanDerWaalsContact O-CD2 3.24Å; A106-F109 WeakPolarHBondContact O-CD2 3Å; A106-F109 PolarHBondContact O-N 3.2Å; W107-F109 PolarHBondContact O-N 2.52Å; F109-W126 HydrophobicContact CB-CB 4.44Å; F109-W126 HydrophobicContact CD1-CB 3.84Å; F109-W126 AromaticContact CD1-CD1 3.42Å; F109-W126 VanDerWaalsContact CD1-CD1 3.42Å; F109-W126 HydrophobicContact CD1-CD2 4.42Å; F109-W126 AromaticContact CD1-CG 3.63Å; F109-W126 HydrophobicContact CD1-CG 3.63Å; F109-W126 AromaticContact CE1-CD1 3.73Å; F109-W126 HydrophobicContact CE1-CD2 4.46Å; F109-W126 HydrophobicContact CE1-CG 4.07Å; F109-W126 AromaticContact CE1-NE1 3.81Å; F109-W126 VanDerWaalsContact O-CB 3.25Å; F109-W126 WeakPolarHBondContact O-CB 3.21Å; F109-W126 PolarHBondContact O-N 2.91Å; F109-F242 AromaticContact CE2-CE1 3.69Å; F109-F242 HydrophobicContact CE2-CE1 3.69Å; F109-F242 AromaticContact CZ-CE1 3.87Å; F109-F242 HydrophobicContact CZ-CE1 3.87Å; F109-F242 HydrophobicContact CZ-CZ 4.43Å; F109-Y243 HydrophobicContact CZ-CD1 4.49Å; F109-Y243 HydrophobicContact CZ-CE1 4.35Å; F109-L292 HydrophobicContact CE1-CD1 4.2Å; F109-L292 HydrophobicContact CE1-CD2 4.07Å; F109-L292 HydrophobicContact CE1-CG 4.01Å; F109-L292 HydrophobicContact CZ-CD1 4.02Å; F109-L292 HydrophobicContact CZ-CD2 4.16Å; F109-L292 HydrophobicContact CZ-CG 4.25Å; F109-V297 HydrophobicContact CB-CG1 4.37Å; F109-V297 HydrophobicContact CD1-CG2 3.74Å; F109-V297 HydrophobicContact CD2-CG1 4.44Å; F109-V297 HydrophobicContact CD2-CG2 4.27Å; F109-V297 HydrophobicContact CE1-CG2 3.88Å; F109-V297 HydrophobicContact CE2-CG2 4.43Å; F109-V297 HydrophobicContact CG-CG1 4.33Å; F109-V297 HydrophobicContact CG-CG2 3.96Å; F109-V297 HydrophobicContact CZ-CG2 4.24Å
110W98.4Very high96.8Very high60 Ų6042.5 Ų42.523%0.22723%0.225CC..THydrogen-bonded Turntrans-110.3-56.3174.7-172-113.1000112.8H63 F64 W107 S108 G124 R125 M294H63-W110 HydrophobicContact CB-CB 4.14Å; H63-W110 HydrophobicContact CB-CD2 4.26Å; H63-W110 HydrophobicContact CB-CG 3.67Å; H63-W110 AromaticContact CD2-CD2 3.59Å; H63-W110 AromaticContact CD2-CE3 3.83Å; H63-W110 AromaticContact CD2-CG 3.65Å; H63-W110 AromaticContact CE1-CD2 3.48Å; H63-W110 VanDerWaalsContact CE1-CD2 3.48Å; H63-W110 AromaticContact CE1-CE2 3.42Å; H63-W110 VanDerWaalsContact CE1-CE2 3.42Å; H63-W110 AromaticContact CE1-CE3 3.55Å; H63-W110 AromaticContact CE1-CH2 3.52Å; H63-W110 AromaticContact CE1-CZ2 3.45Å; H63-W110 VanDerWaalsContact CE1-CZ2 3.45Å; H63-W110 WeakPolarHBondContact CE1-CZ2 3.45Å; H63-W110 AromaticContact CE1-CZ3 3.57Å; H63-W110 AromaticContact CG-CD1 3.5Å; H63-W110 VanDerWaalsContact CG-CD1 3.5Å; H63-W110 AromaticContact CG-CD2 3.5Å; H63-W110 AromaticContact CG-CE2 3.66Å; H63-W110 AromaticContact CG-CG 3.41Å; H63-W110 VanDerWaalsContact CG-CG 3.41Å; H63-W110 AromaticContact CG-NE1 3.64Å; H63-W110 AromaticContact ND1-CD1 3.78Å; H63-W110 AromaticContact ND1-CD2 3.45Å; H63-W110 AromaticContact ND1-CE2 3.17Å; H63-W110 AromaticContact ND1-CG 3.84Å; H63-W110 AromaticContact ND1-CZ2 3.54Å; H63-W110 AromaticContact ND1-NE1 3.4Å; H63-W110 PolarHBondContact ND1-NE1 2.64Å; H63-W110 AromaticContact NE2-CD2 3.6Å; H63-W110 AromaticContact NE2-CE3 3.43Å; H63-W110 AromaticContact NE2-CZ3 3.73Å; F64-W110 HydrophobicContact CE2-CB 3.81Å; F64-W110 HydrophobicContact CZ-CB 4.06Å; W107-W110 PolarHBondContact O-N 3.27Å; S108-W110 VanDerWaalsContact C-N 3.25Å; W110-G124 CarbonylContact O-C 3.6Å; W110-G124 WeakPolarHBondContact O-CA 3.43Å; W110-R125 VanDerWaalsContact CZ3-NE 3.35Å; W110-R125 PolarHBondContact O-N 3.22Å; W110-M294 HydrophobicContact CE3-CE 4.09Å
111E97.9Very high96.8Very high62 Ų6245.7 Ų45.729%0.2925%0.248SC..SBendtrans-163.1-179.7179.567.5-175.8152.400113P56 S59 W107 S108 G113P56-E111 WeakPolarHBondContact O-CG 3.31Å; S59-E111 WeakPolarHBondContact CB-OE1 3.5Å; S59-E111 PolarHBondContact OG-OE1 3.17Å; W107-E111 CarbonylContact C-O 3.6Å; W107-E111 PolarHBondContact O-N 2.79Å; S108-E111 WeakPolarHBondContact CA-O 3.38Å; S108-E111 PolarHBondContact N-O 3.42Å; E111-G113 VanDerWaalsContact C-N 3.33Å; E111-G113 PolarHBondContact O-N 3.43Å
112G97.2Very high96.8Very high9 Ų944.1 Ų44.19%0.09324%0.241CC..  trans79.36.8176.100000115.8W107W107-G112 VanDerWaalsContact CD1-O 3.25Å; W107-G112 PolarHBondContact NE1-O 3.17Å; W107-G112 VanDerWaalsContact NE1-O 3.13Å
113G97.7Very high96.8Very high5 Ų542.6 Ų42.65%0.05223%0.234CC..SBendtrans-69.217616700000112.4E111 S115 G122 I123E111-G113 VanDerWaalsContact C-N 3.33Å; E111-G113 PolarHBondContact O-N 3.43Å; G113-S115 PolarHBondContact O-N 3.02Å; G113-G122 VanDerWaalsContact O-CA 3.22Å; G113-G122 WeakPolarHBondContact O-CA 3.38Å; G113-I123 WeakPolarHBondContact CA-O 3.42Å; G113-I123 PolarHBondContact N-O 2.92Å
114P96.2Very high96.9Very high68 Ų6841.8 Ų41.844%0.44223%0.232SC..  trans-56.7129.6-176-26.234.5000113.3I116 I123P114-I116 PolarHBondContact O-N 3.12Å; P114-I123 HydrophobicContact CB-CD1 4.48Å; P114-I123 WeakPolarHBondContact O-CG1 3.25Å; P114-I123 PolarHBondContact O-N 3.39Å; P114-I123 VanDerWaalsContact O-N 3.09Å
115S95.4Very high96.9Very high57 Ų5744.3 Ų44.340%0.39924%0.241SC..  trans-79.7114.6172.3-56.40000110.3G113 G122G113-S115 PolarHBondContact O-N 3.02Å; S115-G122 PolarHBondContact OG-N 3.24Å
116I95Very high97Very high41 Ų4144.3 Ų44.321%0.2124%0.241CC..BIsolated β-bridgetrans-127.1165.2177.459.7164.8000109.4P114 P118 Y119 I123 E198P114-I116 PolarHBondContact O-N 3.12Å; I116-P118 VanDerWaalsContact C-N 3.35Å; I116-Y119 HydrophobicContact CD1-CD2 3.72Å; I116-Y119 HydrophobicContact CD1-CE2 4.2Å; I116-Y119 HydrophobicContact CG1-CD2 3.66Å; I116-Y119 HydrophobicContact CG1-CG 4.41Å; I116-Y119 PolarHBondContact N-O 3.23Å; I116-Y119 CarbonylContact O-C 3.46Å; I116-Y119 WeakPolarHBondContact O-CA 3.08Å; I116-Y119 PolarHBondContact O-N 3.43Å; I116-I123 HydrophobicContact CD1-CD1 4.22Å; I116-I123 HydrophobicContact CG1-CD1 4.34Å; I116-E198 WeakPolarHBondContact CB-OE2 3.24Å; I116-E198 VanDerWaalsContact CG2-OE1 3.31Å; I116-E198 WeakPolarHBondContact CG2-OE1 3.1Å
117K95Very high97Very high171 Ų17145.8 Ų45.874%0.74325%0.248SC*.THydrogen-bonded Turntrans-54.6-41.9-174.1-177.8176.5-177.2174.20113.8Y119 E198K117-Y119 VanDerWaalsContact C-N 3.28Å; K117-Y119 PolarHBondContact O-N 2.96Å; K117-E198 WeakPolarHBondContact CB-OE2 3.19Å; K117-E198 PolarHBondContact N-OE2 3.01Å
118P95.5Very high97Very high44 Ų4448.8 Ų48.829%0.28626%0.264SS..THydrogen-bonded Turntrans-69.9-19.7173.7-21.234.2000115I116 E198 P200I116-P118 VanDerWaalsContact C-N 3.35Å; P118-E198 HydrophobicContact CG-CB 4.39Å; P118-P200 HydrophobicContact CB-CB 4.11Å
119Y96Very high97Very high34 Ų3449.4 Ų49.413%0.13327%0.267CS..BIsolated β-bridgetrans-133.170.3-177.9-52.2-71.5000109.5I116 K117 T121 G122 I123 L129 F201 E202I116-Y119 HydrophobicContact CD1-CD2 3.72Å; I116-Y119 HydrophobicContact CD1-CE2 4.2Å; I116-Y119 HydrophobicContact CG1-CD2 3.66Å; I116-Y119 HydrophobicContact CG1-CG 4.41Å; I116-Y119 PolarHBondContact N-O 3.23Å; I116-Y119 CarbonylContact O-C 3.46Å; I116-Y119 WeakPolarHBondContact O-CA 3.08Å; I116-Y119 PolarHBondContact O-N 3.43Å; K117-Y119 VanDerWaalsContact C-N 3.28Å; K117-Y119 PolarHBondContact O-N 2.96Å; Y119-T121 PolarHBondContact O-N 2.92Å; Y119-G122 PolarHBondContact O-N 3.33Å; Y119-I123 HydrophobicContact CD2-CD1 4.32Å; Y119-I123 HydrophobicContact CD2-CG1 3.64Å; Y119-I123 HydrophobicContact CE2-CG1 4.41Å; Y119-I123 HydrophobicContact CG-CG1 3.95Å; Y119-L129 HydrophobicContact CE1-CD2 3.93Å; Y119-F201 HydrophobicContact CD2-CE2 4.44Å; Y119-F201 AromaticContact CE2-CD2 3.6Å; Y119-F201 HydrophobicContact CE2-CD2 3.6Å; Y119-F201 AromaticContact CE2-CE2 3.79Å; Y119-F201 HydrophobicContact CE2-CE2 3.79Å; Y119-F201 HydrophobicContact CE2-CG 4.41Å; Y119-F201 AromaticContact CZ-CD2 3.59Å; Y119-F201 VanDerWaalsContact OH-CD2 3.27Å; Y119-F201 WeakPolarHBondContact OH-CD2 3.38Å; Y119-F201 PolarHBondContact OH-N 3.38Å; Y119-E202 PolarHBondContact OH-OE2 3.32Å
120P95.1Very high97Very high100 Ų10050.3 Ų50.365%0.64927%0.271SS*.THydrogen-bonded Turntrans-64-28.3-169.424.3-34.3000113.3G122P120-G122 VanDerWaalsContact C-N 3.27Å; P120-G122 PolarHBondContact O-N 3.38Å
121T94.3Very high96.9Very high127 Ų12752.4 Ų52.478%0.77928%0.283SS*.THydrogen-bonded Turntrans-879.4176.656.40000113.5Y119Y119-T121 PolarHBondContact O-N 2.92Å
122G96.4Very high97Very high8 Ų852.1 Ų52.18%0.08229%0.285CS..  trans92.9143.9-174.700000112.6G113 S115 Y119 P120 G124G113-G122 VanDerWaalsContact O-CA 3.22Å; G113-G122 WeakPolarHBondContact O-CA 3.38Å; S115-G122 PolarHBondContact OG-N 3.24Å; Y119-G122 PolarHBondContact O-N 3.33Å; P120-G122 VanDerWaalsContact C-N 3.27Å; P120-G122 PolarHBondContact O-N 3.38Å; G122-G124 PolarHBondContact O-N 2.86Å
123I97.8Very high97Very high13 Ų1351.7 Ų51.77%0.06728%0.281CS..SBendtrans-63124.6172.5-66.5160.2000108.9G113 P114 I116 Y119 L129 F201G113-I123 WeakPolarHBondContact CA-O 3.42Å; G113-I123 PolarHBondContact N-O 2.92Å; P114-I123 HydrophobicContact CB-CD1 4.48Å; P114-I123 WeakPolarHBondContact O-CG1 3.25Å; P114-I123 PolarHBondContact O-N 3.39Å; P114-I123 VanDerWaalsContact O-N 3.09Å; I116-I123 HydrophobicContact CD1-CD1 4.22Å; I116-I123 HydrophobicContact CG1-CD1 4.34Å; Y119-I123 HydrophobicContact CD2-CD1 4.32Å; Y119-I123 HydrophobicContact CD2-CG1 3.64Å; Y119-I123 HydrophobicContact CE2-CG1 4.41Å; Y119-I123 HydrophobicContact CG-CG1 3.95Å; I123-L129 HydrophobicContact CG2-CD1 4.35Å; I123-F201 HydrophobicContact CD1-CE2 4.01Å; I123-F201 HydrophobicContact CD1-CZ 3.87Å; I123-F201 HydrophobicContact CG1-CE2 4.11Å; I123-F201 HydrophobicContact CG1-CZ 4.47Å; I123-F201 HydrophobicContact CG2-CE2 3.91Å; I123-F201 HydrophobicContact CG2-CZ 4.36Å
124G98.1Very high97Very high10 Ų1052.7 Ų52.710%0.10329%0.287CS..  trans-163.7-160.2-177.100000110.1S108 W110 G122 W126 L129S108-G124 WeakPolarHBondContact O-CA 3.38Å; W110-G124 CarbonylContact O-C 3.6Å; W110-G124 WeakPolarHBondContact O-CA 3.43Å; G122-G124 PolarHBondContact O-N 2.86Å; G124-W126 PolarHBondContact O-N 3.37Å; G124-L129 VanDerWaalsContact O-CD1 3.24Å; G124-L129 WeakPolarHBondContact O-CD1 3.05Å
125R98.4Very high97.1Very high96 Ų9655.9 Ų55.936%0.36229%0.294SS..  trans47.759.3173.9-65-60.4-56.1-83.92.5111.9W110 D127 L128 L129W110-R125 VanDerWaalsContact CZ3-NE 3.35Å; W110-R125 PolarHBondContact O-N 3.22Å; R125-D127 WeakPolarHBondContact CA-OD1 3.29Å; R125-D127 WeakPolarHBondContact CB-OD1 3.39Å; R125-D127 IonicContact CZ-OD1 2.74Å; R125-D127 IonicContact CZ-OD2 2.71Å; R125-D127 IonicContact NE-OD1 2.86Å; R125-D127 PolarHBondContact NE-OD1 2.94Å; R125-D127 IonicContact NE-OD2 3.04Å; R125-D127 PolarHBondContact NE-OD2 3.38Å; R125-D127 IonicContact NH2-OD1 2.81Å; R125-D127 IonicContact NH2-OD2 3.27Å; R125-D127 PolarHBondContact NH2-OD2 3.28Å; R125-D127 PolarHBondContact O-N 3.1Å; R125-L128 HydrophobicContact CB-CB 4.17Å; R125-L128 HydrophobicContact CB-CD1 4.02Å; R125-L128 HydrophobicContact CB-CG 4.09Å; R125-L128 HydrophobicContact CG-CD1 4.33Å; R125-L128 PolarHBondContact O-N 2.91Å; R125-L129 PolarHBondContact O-N 3.16Å
126W98.7Very high97.3Very high0 Ų054.2 Ų54.20%028%0.28CS..Hα-helixtrans-57.1-34.4179175.2-124.4000111.9F109 G124 L128 L129 R130 R223 H224 L227 I288 L292 M294F109-W126 HydrophobicContact CB-CB 4.44Å; F109-W126 HydrophobicContact CD1-CB 3.84Å; F109-W126 AromaticContact CD1-CD1 3.42Å; F109-W126 VanDerWaalsContact CD1-CD1 3.42Å; F109-W126 HydrophobicContact CD1-CD2 4.42Å; F109-W126 AromaticContact CD1-CG 3.63Å; F109-W126 HydrophobicContact CD1-CG 3.63Å; F109-W126 AromaticContact CE1-CD1 3.73Å; F109-W126 HydrophobicContact CE1-CD2 4.46Å; F109-W126 HydrophobicContact CE1-CG 4.07Å; F109-W126 AromaticContact CE1-NE1 3.81Å; F109-W126 VanDerWaalsContact O-CB 3.25Å; F109-W126 WeakPolarHBondContact O-CB 3.21Å; F109-W126 PolarHBondContact O-N 2.91Å; G124-W126 PolarHBondContact O-N 3.37Å; W126-L128 PolarHBondContact O-N 2.73Å; W126-L129 HydrophobicContact CE3-CB 4.26Å; W126-L129 PolarHBondContact O-N 2.84Å; W126-R130 HydrophobicContact CD2-CG 3.7Å; W126-R130 VanDerWaalsContact CE2-CG 3.45Å; W126-R130 HydrophobicContact CE3-CG 4.04Å; W126-R130 HydrophobicContact CG-CG 4.27Å; W126-R130 HydrophobicContact CH2-CG 3.95Å; W126-R130 HydrophobicContact CZ2-CG 3.59Å; W126-R130 HydrophobicContact CZ3-CG 4.15Å; W126-R130 WeakPolarHBondContact O-CB 3.33Å; W126-R130 WeakPolarHBondContact O-CD 3.49Å; W126-R130 WeakPolarHBondContact O-CG 3.32Å; W126-R130 PolarHBondContact O-N 2.9Å; W126-R223 HydrophobicContact CH2-CB 3.98Å; W126-R223 HydrophobicContact CH2-CG 4.17Å; W126-R223 HydrophobicContact CZ2-CB 4.33Å; W126-R223 HydrophobicContact CZ3-CB 4.45Å; W126-R223 HydrophobicContact CZ3-CG 4.14Å; W126-H224 AromaticContact CE3-NE2 3.99Å; W126-H224 AromaticContact CZ3-CD2 3.71Å; W126-L227 HydrophobicContact CH2-CD1 3.24Å; W126-L227 HydrophobicContact CH2-CG 3.92Å; W126-L227 HydrophobicContact CZ2-CD1 3.88Å; W126-L227 HydrophobicContact CZ3-CD1 3.83Å; W126-I288 HydrophobicContact CH2-CG2 4.01Å; W126-I288 HydrophobicContact CZ2-CG2 3.76Å; W126-L292 HydrophobicContact CZ2-CD2 4.21Å; W126-L292 PolarHBondContact NE1-O 2.89Å; W126-M294 HydrophobicContact CB-SD 4.09Å; W126-M294 HydrophobicContact CG-SD 4.49Å
127D98.4Very high97.4Very high42 Ų4252.6 Ų52.623%0.22527%0.273CS..Hα-helixtrans-49.4-53.1168.458.7-36.1000112.4R125 M294R125-D127 WeakPolarHBondContact CA-OD1 3.29Å; R125-D127 WeakPolarHBondContact CB-OD1 3.39Å; R125-D127 IonicContact CZ-OD1 2.74Å; R125-D127 IonicContact CZ-OD2 2.71Å; R125-D127 IonicContact NE-OD1 2.86Å; R125-D127 PolarHBondContact NE-OD1 2.94Å; R125-D127 IonicContact NE-OD2 3.04Å; R125-D127 PolarHBondContact NE-OD2 3.38Å; R125-D127 IonicContact NH2-OD1 2.81Å; R125-D127 IonicContact NH2-OD2 3.27Å; R125-D127 PolarHBondContact NH2-OD2 3.28Å; R125-D127 PolarHBondContact O-N 3.1Å; D127-M294 HydrophobicContact CB-CG 3.86Å; D127-M294 HydrophobicContact CB-SD 4.44Å
128L98.3Very high97.6Very high77 Ų7748.2 Ų48.240%0.40327%0.269SS..Hα-helixtrans-71.2-43.7-179.2-59.5-176.3000112.2R125 W126 R130 E131 T132R125-L128 HydrophobicContact CB-CB 4.17Å; R125-L128 HydrophobicContact CB-CD1 4.02Å; R125-L128 HydrophobicContact CB-CG 4.09Å; R125-L128 HydrophobicContact CG-CD1 4.33Å; R125-L128 PolarHBondContact O-N 2.91Å; W126-L128 PolarHBondContact O-N 2.73Å; L128-R130 PolarHBondContact O-N 2.73Å; L128-E131 PolarHBondContact O-N 3.04Å; L128-E131 VanDerWaalsContact O-N 3.12Å; L128-T132 PolarHBondContact O-N 2.97Å
129L98.1Very high97.7Very high13 Ų1351.5 Ų51.57%0.06828%0.282CS..Hα-helixtrans-62.9-31.8179-75.8175.1000112.2Y119 I123 G124 R125 W126 E131 T132 L133 F201 H224Y119-L129 HydrophobicContact CE1-CD2 3.93Å; I123-L129 HydrophobicContact CG2-CD1 4.35Å; G124-L129 VanDerWaalsContact O-CD1 3.24Å; G124-L129 WeakPolarHBondContact O-CD1 3.05Å; R125-L129 PolarHBondContact O-N 3.16Å; W126-L129 HydrophobicContact CE3-CB 4.26Å; W126-L129 PolarHBondContact O-N 2.84Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-T132 PolarHBondContact O-OG1 2.85Å; L129-L133 VanDerWaalsContact O-CB 3.22Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 WeakPolarHBondContact O-CD1 3.4Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 3.16Å; L129-F201 HydrophobicContact CD1-CD2 4.37Å; L129-F201 HydrophobicContact CD1-CE2 4.42Å; L129-F201 HydrophobicContact CD2-CD2 4.35Å; L129-H224 WeakPolarHBondContact CD1-NE2 3.38Å
130R98.4Very high97.8Very high20 Ų2052.9 Ų52.98%0.07529%0.287CS..Hα-helixtrans-60.4-46173-75.6166.565.875.411.8111.5W126 L128 S134 L227 I288 W289 L292W126-R130 HydrophobicContact CD2-CG 3.7Å; W126-R130 VanDerWaalsContact CE2-CG 3.45Å; W126-R130 HydrophobicContact CE3-CG 4.04Å; W126-R130 HydrophobicContact CG-CG 4.27Å; W126-R130 HydrophobicContact CH2-CG 3.95Å; W126-R130 HydrophobicContact CZ2-CG 3.59Å; W126-R130 HydrophobicContact CZ3-CG 4.15Å; W126-R130 WeakPolarHBondContact O-CB 3.33Å; W126-R130 WeakPolarHBondContact O-CD 3.49Å; W126-R130 WeakPolarHBondContact O-CG 3.32Å; W126-R130 PolarHBondContact O-N 2.9Å; L128-R130 PolarHBondContact O-N 2.73Å; R130-S134 WeakPolarHBondContact O-CB 3.41Å; R130-S134 PolarHBondContact O-N 3.14Å; R130-L227 HydrophobicContact CB-CD1 4.03Å; R130-L227 HydrophobicContact CG-CD1 3.69Å; R130-I288 PolarHBondContact NH1-O 3.1Å; R130-W289 HydrophobicContact CB-CZ3 4.25Å; R130-W289 PolarHBondContact NH2-O 2.93Å; R130-L292 PolarHBondContact NH1-O 2.94Å
131E98.2Very high98Very high104 Ų10451.2 Ų51.249%0.48628%0.276SS..Hα-helixtrans-66.1-47.2179.4-65.8-174.7-171.800112.1L128 L129 S134 K135L128-E131 PolarHBondContact O-N 3.04Å; L128-E131 VanDerWaalsContact O-N 3.12Å; L129-E131 VanDerWaalsContact C-N 3.34Å; E131-S134 PolarHBondContact O-N 3.12Å; E131-K135 WeakPolarHBondContact O-CG 3.47Å; E131-K135 PolarHBondContact O-N 2.98Å
132T98.1Very high98.2Very high55 Ų5546.4 Ų46.434%0.33724%0.243SC..Hα-helixtrans-66-42.8-177.864.60000111.5L128 L129 K135 E136 E202L128-T132 PolarHBondContact O-N 2.97Å; L129-T132 PolarHBondContact O-OG1 2.85Å; T132-K135 PolarHBondContact O-N 3.45Å; T132-E136 WeakPolarHBondContact O-CB 3.4Å; T132-E136 PolarHBondContact O-N 3.43Å; T132-E202 VanDerWaalsContact CB-OE1 3.31Å; T132-E202 WeakPolarHBondContact CB-OE1 3.48Å; T132-E202 PolarHBondContact OG1-OE1 3.11Å
133L98.6Very high98.3Very high0 Ų049.5 Ų49.50%028%0.275CS..Hα-helixtrans-67.1-38.6178-68.2170000112.3L129 E136 A137 F201 E202 H224 L227L129-L133 VanDerWaalsContact O-CB 3.22Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 WeakPolarHBondContact O-CD1 3.4Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 3.16Å; L133-E136 PolarHBondContact O-N 2.86Å; L133-A137 WeakPolarHBondContact O-CB 3Å; L133-A137 PolarHBondContact O-N 2.88Å; L133-F201 HydrophobicContact CD1-CB 4.41Å; L133-F201 HydrophobicContact CD2-CB 3.72Å; L133-E202 HydrophobicContact CD2-CG 4.23Å; L133-H224 HydrophobicContact CD1-CB 3.95Å; L133-L227 HydrophobicContact CB-CB 3.69Å; L133-L227 HydrophobicContact CB-CD1 4.47Å; L133-L227 HydrophobicContact CD1-CB 4.11Å; L133-L227 HydrophobicContact CD1-CD1 4.41Å
134S97.8Very high98.3Very high26 Ų2654.4 Ų54.418%0.18230%0.299CS..Hα-helixtrans-63.5-43.5175.4-172.60000111.8R130 E131 A137 A138 Y285R130-S134 WeakPolarHBondContact O-CB 3.41Å; R130-S134 PolarHBondContact O-N 3.14Å; E131-S134 PolarHBondContact O-N 3.12Å; S134-A137 PolarHBondContact O-N 3.32Å; S134-A138 PolarHBondContact O-N 2.89Å; S134-A138 VanDerWaalsContact O-N 3.1Å; S134-Y285 PolarHBondContact OG-OH 2.94Å
135K98.4Very high98.3Very high135 Ų13554.3 Ų54.359%0.58730%0.296SS*.Hα-helixtrans-62.4-44.3173.7-71.5171.8-174.8167.80111.7E131 T132 A137 A138 M139E131-K135 WeakPolarHBondContact O-CG 3.47Å; E131-K135 PolarHBondContact O-N 2.98Å; T132-K135 PolarHBondContact O-N 3.45Å; K135-A137 PolarHBondContact O-N 2.97Å; K135-A138 WeakPolarHBondContact O-CB 3.46Å; K135-A138 PolarHBondContact O-N 3.37Å; K135-M139 PolarHBondContact O-N 3.26Å
136E98.5Very high98.3Very high22 Ų2255.1 Ų55.110%0.10330%0.302CS..Hα-helixtrans-64.3-39.1176.8-170.678.4-16900112T132 L133 A138 M139 W140 E202 C205 R206T132-E136 WeakPolarHBondContact O-CB 3.4Å; T132-E136 PolarHBondContact O-N 3.43Å; L133-E136 PolarHBondContact O-N 2.86Å; E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 PolarHBondContact O-N 3Å; E136-M139 HydrophobicContact CB-CE 4.34Å; E136-M139 HydrophobicContact CG-CE 4.45Å; E136-M139 PolarHBondContact O-N 3.18Å; E136-M139 WeakPolarHBondContact OE2-CE 3.4Å; E136-W140 PolarHBondContact O-N 3.23Å; E136-W140 VanDerWaalsContact O-N 3.15Å; E136-W140 PolarHBondContact OE1-NE1 3.38Å; E136-E202 HydrophobicContact CB-CB 4.21Å; E136-E202 HydrophobicContact CB-CG 4.16Å; E136-E202 HydrophobicContact CG-CB 3.77Å; E136-E202 HydrophobicContact CG-CG 4.29Å; E136-E202 WeakPolarHBondContact CG-O 3.27Å; E136-C205 HydrophobicContact CG-CB 3.78Å; E136-R206 IonicContact OE1-CZ 3.62Å; E136-R206 VanDerWaalsContact OE1-CZ 3.27Å; E136-R206 IonicContact OE1-NH1 2.59Å; E136-R206 PolarHBondContact OE1-NH1 2.93Å; E136-R206 IonicContact OE1-NH2 3.45Å; E136-R206 PolarHBondContact OE1-NH2 2.86Å
137A98.4Very high98.3Very high7 Ų757.7 Ų57.76%0.05832%0.32CS..Hα-helixtrans-62-38175.600000112.1L133 S134 K135 M139 W140 L227 R229L133-A137 WeakPolarHBondContact O-CB 3Å; L133-A137 PolarHBondContact O-N 2.88Å; S134-A137 PolarHBondContact O-N 3.32Å; K135-A137 PolarHBondContact O-N 2.97Å; A137-M139 VanDerWaalsContact C-N 3.33Å; A137-W140 CarbonylContact O-C 3.58Å; A137-W140 VanDerWaalsContact O-C 3.25Å; A137-W140 PolarHBondContact O-N 3.28Å; A137-L227 WeakPolarHBondContact CB-O 3.36Å; A137-R229 HydrophobicContact CB-CB 4.16Å
138A98.3Very high98.2Very high79 Ų7958.1 Ų58.165%0.65332%0.32SS*.Hα-helixtrans-65.9-33.3174.900000112.8S134 K135 E136 W140S134-A138 PolarHBondContact O-N 2.89Å; S134-A138 VanDerWaalsContact O-N 3.1Å; K135-A138 WeakPolarHBondContact O-CB 3.46Å; K135-A138 PolarHBondContact O-N 3.37Å; E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 PolarHBondContact O-N 3Å; A138-W140 VanDerWaalsContact C-N 3.31Å
139M98.2Very high98.2Very high114 Ų11454.5 Ų54.556%0.56230%0.301SS*.Hα-helixtrans-73.7-20.7174.7-65.7-170.2-66.700113.6K135 E136 A137 P141K135-M139 PolarHBondContact O-N 3.26Å; E136-M139 HydrophobicContact CB-CE 4.34Å; E136-M139 HydrophobicContact CG-CE 4.45Å; E136-M139 PolarHBondContact O-N 3.18Å; E136-M139 WeakPolarHBondContact OE2-CE 3.4Å; A137-M139 VanDerWaalsContact C-N 3.33Å; M139-P141 VanDerWaalsContact C-CD 3.43Å; M139-P141 WeakPolarHBondContact O-CD 3.46Å
140W98.4Very high98.3Very high63 Ų6353.9 Ų53.924%0.23930%0.298CS..SBendtrans-11871177-69.196.9000110.7E136 A137 A138 M144 K145 C205 R206E136-W140 PolarHBondContact O-N 3.23Å; E136-W140 VanDerWaalsContact O-N 3.15Å; E136-W140 PolarHBondContact OE1-NE1 3.38Å; A137-W140 CarbonylContact O-C 3.58Å; A137-W140 VanDerWaalsContact O-C 3.25Å; A137-W140 PolarHBondContact O-N 3.28Å; A138-W140 VanDerWaalsContact C-N 3.31Å; W140-M144 HydrophobicContact CE3-CB 4.26Å; W140-K145 HydrophobicContact CB-CG 4.25Å; W140-K145 WeakPolarHBondContact O-CE 3.43Å; W140-K145 PolarHBondContact O-NZ 3.03Å; W140-C205 WeakPolarHBondContact CB-O 3.41Å; W140-R206 HydrophobicContact CD2-CB 4.47Å; W140-R206 HydrophobicContact CD2-CG 3.8Å; W140-R206 HydrophobicContact CE3-CG 4.24Å; W140-R206 HydrophobicContact CG-CG 4.4Å; W140-R206 HydrophobicContact CH2-CG 4.01Å; W140-R206 HydrophobicContact CZ2-CG 3.52Å; W140-R206 HydrophobicContact CZ3-CG 4.33Å
141P98.1Very high98.3Very high65 Ų6553.1 Ų53.142%0.42230%0.295SS..  trans-59.2156.117527.6-35.2000110.7M139 G143 M144 K145M139-P141 VanDerWaalsContact C-CD 3.43Å; M139-P141 WeakPolarHBondContact O-CD 3.46Å; P141-G143 VanDerWaalsContact C-N 3.28Å; P141-G143 PolarHBondContact O-N 3.45Å; P141-G143 VanDerWaalsContact O-N 3.09Å; P141-M144 HydrophobicContact CG-CB 4.25Å; P141-M144 HydrophobicContact CG-CG 3.92Å; P141-M144 HydrophobicContact CG-SD 3.67Å; P141-M144 PolarHBondContact O-N 2.78Å; P141-K145 PolarHBondContact O-N 3.26Å
142W98.5Very high98.3Very high25 Ų2549.2 Ų49.210%0.09528%0.276CS..G310 helixtrans-47.5-45.9-170.2-178.8-98.9000114.3M144 K145 K208 L231 D274 V277 K278 A281W142-M144 VanDerWaalsContact C-N 3.26Å; W142-M144 PolarHBondContact O-N 3.33Å; W142-K145 PolarHBondContact O-N 2.02Å; W142-K208 HydrophobicContact CD2-CD 4.45Å; W142-K208 HydrophobicContact CH2-CB 4.19Å; W142-K208 HydrophobicContact CH2-CD 4.28Å; W142-K208 HydrophobicContact CH2-CG 4.28Å; W142-K208 HydrophobicContact CZ2-CD 3.77Å; W142-K208 HydrophobicContact CZ2-CG 4.23Å; W142-K208 HydrophobicContact CZ3-CB 4.47Å; W142-K208 HydrophobicContact CZ3-CG 4.44Å; W142-K208 WeakPolarHBondContact O-CE 3.3Å; W142-L231 HydrophobicContact CH2-CB 4.18Å; W142-L231 HydrophobicContact CZ3-CB 4.48Å; W142-D274 VanDerWaalsContact NE1-CG 3.33Å; W142-D274 PolarHBondContact NE1-OD1 3.18Å; W142-D274 PolarHBondContact NE1-OD2 3.45Å; W142-V277 HydrophobicContact CH2-CG2 4.09Å; W142-V277 HydrophobicContact CZ2-CG2 3.86Å; W142-K278 HydrophobicContact CB-CD 4.05Å; W142-K278 HydrophobicContact CB-CG 4.24Å; W142-K278 HydrophobicContact CD2-CB 3.86Å; W142-K278 HydrophobicContact CD2-CD 4.23Å; W142-K278 HydrophobicContact CD2-CG 3.69Å; W142-K278 HydrophobicContact CE3-CB 4.34Å; W142-K278 HydrophobicContact CE3-CG 4.13Å; W142-K278 HydrophobicContact CG-CB 4.22Å; W142-K278 HydrophobicContact CG-CD 3.71Å; W142-K278 HydrophobicContact CG-CG 3.71Å; W142-K278 HydrophobicContact CH2-CB 4.42Å; W142-K278 HydrophobicContact CZ2-CB 3.94Å; W142-A281 HydrophobicContact CE3-CB 4.44Å; W142-A281 HydrophobicContact CH2-CB 4.44Å; W142-A281 HydrophobicContact CZ3-CB 3.75Å
143G98Very high98.3Very high73 Ų7346.8 Ų46.875%0.75326%0.262SS*.G310 helixtrans-65.8-20.218000000115.3P141P141-G143 VanDerWaalsContact C-N 3.28Å; P141-G143 PolarHBondContact O-N 3.45Å; P141-G143 VanDerWaalsContact O-N 3.09Å
144M98.2Very high98.2Very high117 Ų11747.8 Ų47.858%0.57627%0.269SS*.G310 helixtrans-91.8-15.5177-67.8-177.667.300113.2W140 P141 W142W140-M144 HydrophobicContact CE3-CB 4.26Å; P141-M144 HydrophobicContact CG-CB 4.25Å; P141-M144 HydrophobicContact CG-CG 3.92Å; P141-M144 HydrophobicContact CG-SD 3.67Å; P141-M144 PolarHBondContact O-N 2.78Å; W142-M144 VanDerWaalsContact C-N 3.26Å; W142-M144 PolarHBondContact O-N 3.33Å
145K98.7Very high98.2Very high8 Ų850.1 Ų50.14%0.03527%0.274CS..SBendtrans-71.4142.7178.9-62-175.2-170.4-61.10110.4W140 P141 W142 S147 C205 R206 K208 C228 R229W140-K145 HydrophobicContact CB-CG 4.25Å; W140-K145 WeakPolarHBondContact O-CE 3.43Å; W140-K145 PolarHBondContact O-NZ 3.03Å; P141-K145 PolarHBondContact O-N 3.26Å; W142-K145 PolarHBondContact O-N 2.02Å; K145-S147 PolarHBondContact O-N 2.96Å; K145-C205 PolarHBondContact NZ-O 2.76Å; K145-R206 WeakPolarHBondContact CA-O 3.06Å; K145-K208 HydrophobicContact CB-CB 4.46Å; K145-K208 HydrophobicContact CB-CG 3.54Å; K145-C228 WeakPolarHBondContact CE-O 3.5Å; K145-C228 PolarHBondContact NZ-O 2.92Å; K145-R229 VanDerWaalsContact CE-O 3.31Å; K145-R229 WeakPolarHBondContact CE-O 3.43Å
146K98.3Very high98.1Very high112 Ų11246 Ų4649%0.48726%0.26SS..EExtended strand (participates in β ladder)trans-69.2127.2177.3-63.2178-179.4-178.90110.7K148 R206 F207 K208K146-K148 PolarHBondContact O-N 2.99Å; K146-R206 PolarHBondContact N-O 3.16Å; K146-F207 HydrophobicContact CB-CD1 4.08Å; K146-F207 HydrophobicContact CB-CE1 4.49Å; K146-F207 HydrophobicContact CD-CD1 4.43Å; K146-F207 HydrophobicContact CD-CE1 4.05Å; K146-K208 PolarHBondContact O-N 3.29Å
147S97.8Very high97.9Very high55 Ų5546.6 Ų46.639%0.38526%0.264SS..EExtended strand (participates in β ladder)trans-72.457.6176-53.30000113.3K145 R271K145-S147 PolarHBondContact O-N 2.96Å; S147-R271 PolarHBondContact O-NE 3.35Å; S147-R271 PolarHBondContact O-NH2 3.4Å
148K97.5Very high97.7Very high51 Ų5154 Ų5422%0.22230%0.295CS..EExtended strand (participates in β ladder)trans-142.7139.6-171.9-166.3179.9-171.3171.20110.8K146 P171 L173 V174 R175 F207K146-K148 PolarHBondContact O-N 2.99Å; K148-P171 WeakPolarHBondContact CE-O 3.48Å; K148-P171 PolarHBondContact NZ-O 3.01Å; K148-L173 VanDerWaalsContact CG-O 3.3Å; K148-L173 WeakPolarHBondContact CG-O 3.36Å; K148-V174 VanDerWaalsContact CE-C 3.46Å; K148-V174 WeakPolarHBondContact CE-O 3.3Å; K148-R175 HydrophobicContact CD-CB 4.19Å; K148-F207 HydrophobicContact CB-CD1 4.36Å
149G98.6Very high97.4Very high0 Ų053 Ų530%028%0.276CS..EExtended strand (participates in β ladder)trans-59.1138.216900000111.7L173 V174 R175 Y209G149-L173 PolarHBondContact N-O 3.33Å; G149-V174 CarbonylContact O-C 3.51Å; G149-V174 WeakPolarHBondContact O-CA 3.5Å; G149-R175 PolarHBondContact O-N 3.01Å; G149-Y209 CarbonylContact C-O 3.5Å; G149-Y209 WeakPolarHBondContact CA-O 3.4Å
150F98.8Very high97.3Very high1 Ų148 Ų480%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-135.1135176.5-172.3-106.5000113R152 R175 V199 Y203 N204 F207 Y209 L210 F211F150-R152 HydrophobicContact CE1-CB 4.14Å; F150-R152 HydrophobicContact CZ-CB 3.95Å; F150-R175 WeakPolarHBondContact CA-O 3.19Å; F150-R175 HydrophobicContact CD2-CB 4.21Å; F150-R175 HydrophobicContact CD2-CG 4.28Å; F150-R175 WeakPolarHBondContact CD2-O 3.38Å; F150-R175 HydrophobicContact CE2-CG 4.36Å; F150-V199 HydrophobicContact CE1-CG2 4.43Å; F150-V199 HydrophobicContact CZ-CG2 4.31Å; F150-Y203 HydrophobicContact CE1-CD1 4.17Å; F150-Y203 HydrophobicContact CE2-CD1 4.48Å; F150-Y203 HydrophobicContact CE2-CE1 4.12Å; F150-Y203 AromaticContact CZ-CD1 3.74Å; F150-Y203 HydrophobicContact CZ-CD1 3.74Å; F150-Y203 AromaticContact CZ-CE1 3.81Å; F150-Y203 HydrophobicContact CZ-CE1 3.81Å; F150-N204 HydrophobicContact CD1-CB 4.4Å; F150-N204 WeakPolarHBondContact CD1-OD1 3.15Å; F150-N204 HydrophobicContact CE1-CB 4.49Å; F150-N204 WeakPolarHBondContact CE1-OD1 3.29Å; F150-F207 HydrophobicContact CB-CB 3.75Å; F150-F207 HydrophobicContact CB-CD1 3.8Å; F150-F207 HydrophobicContact CB-CD2 3.79Å; F150-F207 HydrophobicContact CB-CE1 4.33Å; F150-F207 HydrophobicContact CB-CE2 4.34Å; F150-F207 HydrophobicContact CB-CG 3.5Å; F150-F207 AromaticContact CD1-CD2 3.88Å; F150-F207 HydrophobicContact CD1-CD2 3.88Å; F150-F207 HydrophobicContact CD1-CE2 4.1Å; F150-F207 HydrophobicContact CD1-CG 4.47Å; F150-F207 HydrophobicContact CD2-CD1 4.15Å; F150-F207 AromaticContact CD2-CD2 3.84Å; F150-F207 HydrophobicContact CD2-CD2 3.84Å; F150-F207 AromaticContact CD2-CE1 3.81Å; F150-F207 HydrophobicContact CD2-CE1 3.81Å; F150-F207 AromaticContact CD2-CE2 3.49Å; F150-F207 HydrophobicContact CD2-CE2 3.49Å; F150-F207 VanDerWaalsContact CD2-CE2 3.49Å; F150-F207 HydrophobicContact CD2-CG 4.16Å; F150-F207 AromaticContact CD2-CZ 3.48Å; F150-F207 HydrophobicContact CD2-CZ 3.48Å; F150-F207 VanDerWaalsContact CD2-CZ 3.48Å; F150-F207 HydrophobicContact CE1-CD2 4.42Å; F150-F207 HydrophobicContact CE1-CE2 4.28Å; F150-F207 HydrophobicContact CE2-CD2 4.39Å; F150-F207 AromaticContact CE2-CE2 3.7Å; F150-F207 HydrophobicContact CE2-CE2 3.7Å; F150-F207 AromaticContact CE2-CZ 3.77Å; F150-F207 HydrophobicContact CE2-CZ 3.77Å; F150-F207 HydrophobicContact CG-CB 4.45Å; F150-F207 HydrophobicContact CG-CD1 4.17Å; F150-F207 AromaticContact CG-CD2 3.55Å; F150-F207 HydrophobicContact CG-CD2 3.55Å; F150-F207 HydrophobicContact CG-CE1 4.29Å; F150-F207 AromaticContact CG-CE2 3.71Å; F150-F207 HydrophobicContact CG-CE2 3.71Å; F150-F207 AromaticContact CG-CG 3.8Å; F150-F207 HydrophobicContact CG-CG 3.8Å; F150-F207 HydrophobicContact CG-CZ 4.08Å; F150-F207 HydrophobicContact CZ-CE2 4.09Å; F150-Y209 PolarHBondContact N-O 3.27Å; F150-L210 HydrophobicContact CB-CD2 3.97Å; F150-L210 HydrophobicContact CD1-CD2 4.17Å; F150-F211 PolarHBondContact O-N 3.24Å; F150-F211 VanDerWaalsContact O-N 3.1Å
151F98.7Very high97.3Very high3 Ų346.1 Ų46.11%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-148.4136.3168.9175.8-95.3000110.6L163 I164 R175 A176 E177 Y178 F211F151-L163 HydrophobicContact CB-CD2 3.76Å; F151-L163 HydrophobicContact CG-CD2 4.11Å; F151-I164 HydrophobicContact CD1-CD1 3.98Å; F151-I164 HydrophobicContact CE1-CD1 4.3Å; F151-R175 PolarHBondContact N-O 3.32Å; F151-A176 HydrophobicContact CB-CB 3.85Å; F151-A176 HydrophobicContact CD1-CB 4.44Å; F151-A176 WeakPolarHBondContact O-CA 3.32Å; F151-E177 PolarHBondContact O-N 3.31Å; F151-Y178 HydrophobicContact CE1-CE1 4.43Å; F151-F211 HydrophobicContact CB-CB 4.31Å
152R98.3Very high97.2Very high22 Ų2244.8 Ų44.88%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-140.2110.8171.4-17363.253.7113.72109.3F150 E177 T179 V196 K197 V199 R221F150-R152 HydrophobicContact CE1-CB 4.14Å; F150-R152 HydrophobicContact CZ-CB 3.95Å; R152-E177 IonicContact CZ-OE2 3.82Å; R152-E177 IonicContact NH2-OE2 3.72Å; R152-E177 PolarHBondContact NH2-OE2 3.45Å; R152-T179 VanDerWaalsContact CD-CG2 3.47Å; R152-T179 HydrophobicContact CG-CG2 3.74Å; R152-V196 VanDerWaalsContact CD-CG2 3.47Å; R152-V196 VanDerWaalsContact NH1-CB 3.34Å; R152-K197 PolarHBondContact NH1-O 2.99Å; R152-K197 VanDerWaalsContact NH1-O 3.15Å; R152-V199 HydrophobicContact CB-CG2 3.99Å; R152-V199 HydrophobicContact CG-CG1 4.44Å; R152-V199 HydrophobicContact CG-CG2 3.92Å; R152-R221 PolarHBondContact O-NH2 3.18Å
153G97.9Very high97.2Very high5 Ų543.8 Ų43.85%0.05224%0.236CC..EExtended strand (participates in β ladder)trans-172.5176.4179.300000111.5Y178 T179G153-Y178 CarbonylContact O-C 2.93Å; G153-Y178 VanDerWaalsContact O-CA 3.27Å; G153-Y178 WeakPolarHBondContact O-CA 3.4Å; G153-Y178 WeakPolarHBondContact O-CD1 3.41Å; G153-T179 VanDerWaalsContact C-OG1 3.23Å; G153-T179 PolarHBondContact O-N 3.14Å
154S97.5Very high97.2Very high20 Ų2040.4 Ų40.414%0.1420%0.201CC..EExtended strand (participates in β ladder)trans-85.7165.9179.154.60000112.5T156 R160 T179S154-T156 VanDerWaalsContact C-N 3.27Å; S154-T156 PolarHBondContact O-N 2.98Å; S154-R160 PolarHBondContact O-NH1 3.48Å; S154-T179 WeakPolarHBondContact CA-O 3.36Å; S154-T179 PolarHBondContact N-OG1 2.84Å
155R97.5Very high97.2Very high76 Ų7638.1 Ų38.129%0.28719%0.191SC..  trans-82.364.8177.3-169.7171.8-178-101.80.2111.7N157 D161 Y178 D189R155-N157 VanDerWaalsContact C-N 3.3Å; R155-D161 WeakPolarHBondContact CD-OD1 3.22Å; R155-D161 IonicContact CZ-OD1 3.42Å; R155-D161 IonicContact CZ-OD2 2.8Å; R155-D161 IonicContact NE-OD1 2.93Å; R155-D161 PolarHBondContact NE-OD1 2.96Å; R155-D161 IonicContact NE-OD2 3.89Å; R155-D161 PolarHBondContact NE-OD2 3.37Å; R155-D161 IonicContact NH2-OD1 2.99Å; R155-D161 IonicContact NH2-OD2 3.87Å; R155-D161 PolarHBondContact NH2-OD2 3.01Å; R155-Y178 HydrophobicContact CB-CD1 3.93Å; R155-Y178 HydrophobicContact CB-CD2 4.2Å; R155-Y178 HydrophobicContact CB-CE1 3.67Å; R155-Y178 HydrophobicContact CB-CE2 3.9Å; R155-Y178 HydrophobicContact CB-CG 4.22Å; R155-Y178 HydrophobicContact CG-CE1 4.08Å; R155-Y178 HydrophobicContact CG-CE2 3.82Å; R155-D189 WeakPolarHBondContact CB-O 3.15Å; R155-D189 WeakPolarHBondContact CD-O 3.47Å
156T95.8Very high97.1Very high49 Ų4937.9 Ų37.930%0.30119%0.19SC..SBendtrans-80.8-10.7175.850.80000113.5S154 R160 G215S154-T156 VanDerWaalsContact C-N 3.27Å; S154-T156 PolarHBondContact O-N 2.98Å; T156-R160 PolarHBondContact OG1-NH1 3.21Å; T156-R160 PolarHBondContact OG1-NH2 2.85Å; T156-G215 WeakPolarHBondContact OG1-CA 3.27Å
157N94.1Very high97.1Very high33 Ų3333.1 Ų33.118%0.17617%0.17CC..SBendtrans-148.6132.9175.1-166.1-43.4000109.5R155 K159 R160 A214 G215R155-N157 VanDerWaalsContact C-N 3.3Å; N157-K159 PolarHBondContact O-N 2.73Å; N157-K159 WeakPolarHBondContact OD1-CB 3.21Å; N157-K159 WeakPolarHBondContact OD1-CG 3.49Å; N157-K159 PolarHBondContact OD1-N 3.05Å; N157-R160 WeakPolarHBondContact O-CB 3.12Å; N157-R160 PolarHBondContact O-N 3.35Å; N157-A214 WeakPolarHBondContact CB-O 3.4Å; N157-G215 WeakPolarHBondContact CB-O 3.46Å; N157-G215 PolarHBondContact ND2-O 3.08Å; N157-G215 VanDerWaalsContact ND2-O 3.15Å
158K94.4Very high97.1Very high162 Ų16235.2 Ų35.270%0.70417%0.17SC*.G310 helixtrans-63-23.6178.469.5-179.1-176.4178.50113.3R160 D161K158-R160 PolarHBondContact O-N 3.42Å; K158-R160 VanDerWaalsContact O-N 3.1Å; K158-D161 VanDerWaalsContact O-CB 3.23Å; K158-D161 WeakPolarHBondContact O-CB 3.24Å; K158-D161 PolarHBondContact O-N 2.82Å
159K92.5Very high97.1Very high60 Ų6040.3 Ų40.326%0.26119%0.188SC..G310 helixtrans-57-24.3174.9-70.5-176.6171.7-170.50112.4N157 D161 D238 D258 L260N157-K159 PolarHBondContact O-N 2.73Å; N157-K159 WeakPolarHBondContact OD1-CB 3.21Å; N157-K159 WeakPolarHBondContact OD1-CG 3.49Å; N157-K159 PolarHBondContact OD1-N 3.05Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.39Å; K159-D238 IonicContact NZ-OD2 3.34Å; K159-D238 PolarHBondContact NZ-OD2 2.79Å; K159-D258 IonicContact NZ-OD1 3.18Å; K159-D258 PolarHBondContact NZ-OD1 3.19Å; K159-D258 IonicContact NZ-OD2 3.52Å; K159-D258 PolarHBondContact NZ-OD2 3.18Å; K159-L260 WeakPolarHBondContact O-CD1 3.35Å
160R96.6Very high97Very high7 Ų745.1 Ų45.13%0.02621%0.206CC..G310 helixtrans-71-18.4176.1-65.4174.9-178-173.3-1113.6S154 T156 N157 K158 A162 L163 I164 Y178 S213 A214S154-R160 PolarHBondContact O-NH1 3.48Å; T156-R160 PolarHBondContact OG1-NH1 3.21Å; T156-R160 PolarHBondContact OG1-NH2 2.85Å; N157-R160 WeakPolarHBondContact O-CB 3.12Å; N157-R160 PolarHBondContact O-N 3.35Å; K158-R160 PolarHBondContact O-N 3.42Å; K158-R160 VanDerWaalsContact O-N 3.1Å; R160-A162 VanDerWaalsContact C-N 3.33Å; R160-A162 PolarHBondContact O-N 3.48Å; R160-L163 WeakPolarHBondContact O-CB 3.45Å; R160-L163 PolarHBondContact O-N 2.93Å; R160-I164 PolarHBondContact O-N 2.85Å; R160-Y178 VanDerWaalsContact C-OH 3.28Å; R160-Y178 HydrophobicContact CB-CE1 4.06Å; R160-Y178 WeakPolarHBondContact CB-OH 3.08Å; R160-S213 WeakPolarHBondContact CG-OG 3.4Å; R160-S213 PolarHBondContact NH2-O 2.05Å; R160-A214 PolarHBondContact NE-O 3.32Å; R160-A214 VanDerWaalsContact NE-O 3.09Å; R160-A214 PolarHBondContact NH2-O 2.86Å
161D97.3Very high97Very high24 Ų2448.7 Ų48.713%0.12823%0.229CC..Hα-helixtrans-61.8-39.4-171.7-69.7-16.2000112.6R155 K158 K159 L163 I164 L165 Y178 L191R155-D161 WeakPolarHBondContact CD-OD1 3.22Å; R155-D161 IonicContact CZ-OD1 3.42Å; R155-D161 IonicContact CZ-OD2 2.8Å; R155-D161 IonicContact NE-OD1 2.93Å; R155-D161 PolarHBondContact NE-OD1 2.96Å; R155-D161 IonicContact NE-OD2 3.89Å; R155-D161 PolarHBondContact NE-OD2 3.37Å; R155-D161 IonicContact NH2-OD1 2.99Å; R155-D161 IonicContact NH2-OD2 3.87Å; R155-D161 PolarHBondContact NH2-OD2 3.01Å; K158-D161 VanDerWaalsContact O-CB 3.23Å; K158-D161 WeakPolarHBondContact O-CB 3.24Å; K158-D161 PolarHBondContact O-N 2.82Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.39Å; D161-L163 PolarHBondContact O-N 3.03Å; D161-I164 PolarHBondContact O-N 3.1Å; D161-I164 VanDerWaalsContact O-N 3.12Å; D161-L165 WeakPolarHBondContact O-CB 3.38Å; D161-L165 VanDerWaalsContact O-CG 3.32Å; D161-L165 WeakPolarHBondContact O-CG 3.44Å; D161-L165 PolarHBondContact O-N 3.36Å; D161-Y178 PolarHBondContact N-OH 2.98Å; D161-Y178 WeakPolarHBondContact OD1-CE2 3.22Å; D161-Y178 PolarHBondContact OD1-OH 3.18Å; D161-L191 HydrophobicContact CB-CD1 3.95Å
162A97.1Very high96.8Very high37 Ų3752.3 Ų52.331%0.30625%0.249SC..Hα-helixtrans-58.4-37.7179.600000111.8R160 L166 L260R160-A162 VanDerWaalsContact C-N 3.33Å; R160-A162 PolarHBondContact O-N 3.48Å; A162-L166 VanDerWaalsContact O-CB 3.31Å; A162-L166 WeakPolarHBondContact O-CB 3.24Å; A162-L166 PolarHBondContact O-N 3.42Å; A162-L260 HydrophobicContact CB-CB 4.06Å; A162-L260 HydrophobicContact CB-CD1 4.14Å; A162-L260 HydrophobicContact CB-CD2 4.28Å; A162-L260 HydrophobicContact CB-CG 4.39Å
163L98.1Very high96.8Very high4 Ų451.5 Ų51.52%0.02125%0.246CC..Hα-helixtrans-68.1-41.8177-168.664.3000111.9F151 R160 D161 L166 S167 V174 A176 F211 I235 L260 V263F151-L163 HydrophobicContact CB-CD2 3.76Å; F151-L163 HydrophobicContact CG-CD2 4.11Å; R160-L163 WeakPolarHBondContact O-CB 3.45Å; R160-L163 PolarHBondContact O-N 2.93Å; D161-L163 PolarHBondContact O-N 3.03Å; L163-L166 PolarHBondContact O-N 2.83Å; L163-S167 PolarHBondContact O-N 3.35Å; L163-V174 HydrophobicContact CD1-CG1 3.99Å; L163-V174 HydrophobicContact CG-CG1 4.38Å; L163-A176 HydrophobicContact CD2-CB 4.01Å; L163-A176 HydrophobicContact CG-CB 3.73Å; L163-F211 HydrophobicContact CD1-CD1 4.03Å; L163-F211 HydrophobicContact CD1-CD2 4.17Å; L163-F211 HydrophobicContact CD1-CE1 3.98Å; L163-F211 HydrophobicContact CD1-CE2 4.12Å; L163-F211 HydrophobicContact CD1-CG 4.13Å; L163-F211 HydrophobicContact CD1-CZ 4.03Å; L163-F211 HydrophobicContact CD2-CB 3.68Å; L163-F211 HydrophobicContact CD2-CD1 4.06Å; L163-F211 HydrophobicContact CD2-CD2 4.15Å; L163-F211 HydrophobicContact CD2-CG 3.69Å; L163-I235 HydrophobicContact CD2-CD1 4.42Å; L163-L260 HydrophobicContact CB-CD2 3.56Å; L163-L260 HydrophobicContact CD1-CD2 3.99Å; L163-L260 HydrophobicContact CG-CD2 4.3Å; L163-V263 HydrophobicContact CD1-CG2 4.41Å
164I98.1Very high96.8Very high3 Ų351.3 Ų51.32%0.01524%0.244CC..Hα-helixtrans-65.8-44.3178.1-56.1-55.7000110.3F151 R160 D161 S167 R168 A176 Y178 L191F151-I164 HydrophobicContact CD1-CD1 3.98Å; F151-I164 HydrophobicContact CE1-CD1 4.3Å; R160-I164 PolarHBondContact O-N 2.85Å; D161-I164 PolarHBondContact O-N 3.1Å; D161-I164 VanDerWaalsContact O-N 3.12Å; I164-S167 PolarHBondContact O-N 3.34Å; I164-R168 WeakPolarHBondContact O-CG 3.31Å; I164-R168 PolarHBondContact O-N 2.99Å; I164-R168 VanDerWaalsContact O-N 3.11Å; I164-A176 VanDerWaalsContact CD1-C 3.43Å; I164-A176 HydrophobicContact CD1-CB 3.75Å; I164-A176 WeakPolarHBondContact CD1-O 3.49Å; I164-Y178 HydrophobicContact CB-CD2 4.46Å; I164-Y178 HydrophobicContact CB-CE2 4.16Å; I164-Y178 HydrophobicContact CD1-CD1 4.13Å; I164-Y178 HydrophobicContact CD1-CD2 4.47Å; I164-Y178 HydrophobicContact CD1-CE1 4.1Å; I164-Y178 HydrophobicContact CD1-CE2 4.48Å; I164-Y178 HydrophobicContact CD1-CG 4.3Å; I164-Y178 HydrophobicContact CG1-CD1 4.12Å; I164-Y178 HydrophobicContact CG1-CD2 3.85Å; I164-Y178 HydrophobicContact CG1-CE1 3.77Å; I164-Y178 HydrophobicContact CG1-CE2 3.51Å; I164-Y178 HydrophobicContact CG1-CG 4.15Å; I164-Y178 VanDerWaalsContact CG1-CZ 3.46Å; I164-Y178 HydrophobicContact CG2-CD2 4.13Å; I164-Y178 HydrophobicContact CG2-CE2 4.27Å; I164-L191 HydrophobicContact CB-CD1 4.31Å; I164-L191 HydrophobicContact CG2-CD1 4.25Å
165L97.6Very high96.8Very high69 Ų6954.2 Ų54.236%0.36125%0.252SS..Hα-helixtrans-65.7-38.9177.1-66.7176000111.4D161 R168 R169 L191D161-L165 WeakPolarHBondContact O-CB 3.38Å; D161-L165 VanDerWaalsContact O-CG 3.32Å; D161-L165 WeakPolarHBondContact O-CG 3.44Å; D161-L165 PolarHBondContact O-N 3.36Å; L165-R168 PolarHBondContact O-N 2.8Å; L165-R169 WeakPolarHBondContact O-CG 3.22Å; L165-R169 PolarHBondContact O-N 2.86Å; L165-R169 VanDerWaalsContact O-N 3.08Å; L165-L191 HydrophobicContact CD2-CD1 4.25Å; L165-L191 HydrophobicContact CG-CD1 4.26Å
166L97.7Very high96.8Very high2 Ų250.7 Ų50.71%0.0124%0.239CC..Hα-helixtrans-59.7-46.9171.3175.360.3000111.4A162 L163 R168 R169 R170 V174 V263 E264A162-L166 VanDerWaalsContact O-CB 3.31Å; A162-L166 WeakPolarHBondContact O-CB 3.24Å; A162-L166 PolarHBondContact O-N 3.42Å; L163-L166 PolarHBondContact O-N 2.83Å; L166-R168 PolarHBondContact O-N 3.23Å; L166-R169 PolarHBondContact O-N 3.4Å; L166-R169 VanDerWaalsContact O-N 3.08Å; L166-R170 HydrophobicContact CD1-CB 4Å; L166-R170 HydrophobicContact CD1-CG 4.07Å; L166-R170 PolarHBondContact O-N 3.21Å; L166-V174 HydrophobicContact CD2-CG2 3.99Å; L166-V174 HydrophobicContact CG-CG2 4.34Å; L166-V263 HydrophobicContact CD2-CG1 3.45Å; L166-V263 VanDerWaalsContact CD2-CG1 3.45Å; L166-V263 HydrophobicContact CD2-CG2 4.38Å; L166-E264 HydrophobicContact CD1-CG 3.8Å; L166-E264 WeakPolarHBondContact CD1-OE1 3.4Å; L166-E264 HydrophobicContact CD2-CG 3.95Å
167S98.2Very high97Very high12 Ų1251.1 Ų51.18%0.08424%0.237CC..Hα-helixtrans-59.7-30.3177.6-1780000113.3L163 I164 P171 V174 R175 A176L163-S167 PolarHBondContact O-N 3.35Å; I164-S167 PolarHBondContact O-N 3.34Å; S167-P171 WeakPolarHBondContact O-CA 3.42Å; S167-V174 PolarHBondContact OG-O 3.24Å; S167-R175 WeakPolarHBondContact OG-CA 3.42Å; S167-A176 VanDerWaalsContact CB-N 3.33Å; S167-A176 WeakPolarHBondContact CB-O 3.48Å; S167-A176 PolarHBondContact OG-N 3.37Å; S167-A176 PolarHBondContact OG-O 2.73Å
168R97.4Very high97.2Very high100 Ų10049.9 Ų49.938%0.37723%0.231SC..Hα-helixtrans-73.5-39.2174.9-67.4171.9-171.9-171.8-1.5112.1I164 L165 L166 T190 L191 M193I164-R168 WeakPolarHBondContact O-CG 3.31Å; I164-R168 PolarHBondContact O-N 2.99Å; I164-R168 VanDerWaalsContact O-N 3.11Å; L165-R168 PolarHBondContact O-N 2.8Å; L166-R168 PolarHBondContact O-N 3.23Å; R168-T190 PolarHBondContact NH2-O 2.72Å; R168-L191 PolarHBondContact NH1-O 3.13Å; R168-L191 PolarHBondContact NH2-O 2.74Å; R168-M193 VanDerWaalsContact CZ-CG 3.41Å
169R97.4Very high97.3Very high157 Ų15742.6 Ų42.659%0.59220%0.199SC*.Hα-helixtrans-76.9-40.3179.2-65.8-169.3-52.8-94.91.5113.1L165 L166 P171L165-R169 WeakPolarHBondContact O-CG 3.22Å; L165-R169 PolarHBondContact O-N 2.86Å; L165-R169 VanDerWaalsContact O-N 3.08Å; L166-R169 PolarHBondContact O-N 3.4Å; L166-R169 VanDerWaalsContact O-N 3.08Å; R169-P171 VanDerWaalsContact C-CD 3.41Å; R169-P171 WeakPolarHBondContact O-CD 3.28Å
170R97.1Very high97.5Very high101 Ų10144.2 Ų44.238%0.38121%0.207SC..  trans-125.565.9-175.6-66.3-63.9-58.3-98.40.8110.6L166 D172 L173 V174L166-R170 HydrophobicContact CD1-CB 4Å; L166-R170 HydrophobicContact CD1-CG 4.07Å; L166-R170 PolarHBondContact O-N 3.21Å; R170-D172 VanDerWaalsContact C-OD1 3.3Å; R170-D172 WeakPolarHBondContact CA-OD1 3.46Å; R170-D172 IonicContact CZ-OD1 3.71Å; R170-D172 IonicContact CZ-OD2 2.76Å; R170-D172 IonicContact NE-OD1 3.84Å; R170-D172 PolarHBondContact NE-OD1 2.89Å; R170-D172 IonicContact NE-OD2 2.9Å; R170-D172 PolarHBondContact NE-OD2 2.73Å; R170-D172 IonicContact NH2-OD1 3.74Å; R170-D172 IonicContact NH2-OD2 3.55Å; R170-D172 PolarHBondContact NH2-OD2 3.3Å; R170-D172 PolarHBondContact O-N 3.09Å; R170-D172 VanDerWaalsContact O-N 3.13Å; R170-L173 HydrophobicContact CB-CB 3.89Å; R170-L173 PolarHBondContact O-N 3.32Å; R170-V174 PolarHBondContact O-N 3.24Å; R170-V174 VanDerWaalsContact O-N 3.16Å
171P97Very high97.4Very high76 Ų7646.6 Ų46.649%0.49422%0.22SC..THydrogen-bonded Turntrans-66.1-9.8178.229.9-36.5000112.5K148 S167 R169K148-P171 WeakPolarHBondContact CE-O 3.48Å; K148-P171 PolarHBondContact NZ-O 3.01Å; S167-P171 WeakPolarHBondContact O-CA 3.42Å; R169-P171 VanDerWaalsContact C-CD 3.41Å; R169-P171 WeakPolarHBondContact O-CD 3.28Å
172D95.9Very high97.1Very high80 Ų8053.9 Ų53.943%0.42825%0.253SS..THydrogen-bonded Turntrans-74.7-29.5168.662.4-59.3000112.6R170 R271R170-D172 VanDerWaalsContact C-OD1 3.3Å; R170-D172 WeakPolarHBondContact CA-OD1 3.46Å; R170-D172 IonicContact CZ-OD1 3.71Å; R170-D172 IonicContact CZ-OD2 2.76Å; R170-D172 IonicContact NE-OD1 3.84Å; R170-D172 PolarHBondContact NE-OD1 2.89Å; R170-D172 IonicContact NE-OD2 2.9Å; R170-D172 PolarHBondContact NE-OD2 2.73Å; R170-D172 IonicContact NH2-OD1 3.74Å; R170-D172 IonicContact NH2-OD2 3.55Å; R170-D172 PolarHBondContact NH2-OD2 3.3Å; R170-D172 PolarHBondContact O-N 3.09Å; R170-D172 VanDerWaalsContact O-N 3.13Å; D172-R271 PolarHBondContact O-NH2 3.38Å; D172-R271 VanDerWaalsContact O-NH2 3.12Å
173L96.8Very high96.8Very high5 Ų555.3 Ų55.33%0.02627%0.265CS..THydrogen-bonded Turntrans-92.8-46.3-173.6-172.963.1000112.3K148 G149 R170 E264 L267K148-L173 VanDerWaalsContact CG-O 3.3Å; K148-L173 WeakPolarHBondContact CG-O 3.36Å; G149-L173 PolarHBondContact N-O 3.33Å; R170-L173 HydrophobicContact CB-CB 3.89Å; R170-L173 PolarHBondContact O-N 3.32Å; L173-E264 HydrophobicContact CD2-CB 4.4Å; L173-E264 HydrophobicContact CD2-CG 4.01Å; L173-L267 HydrophobicContact CD1-CB 3.84Å; L173-L267 HydrophobicContact CD1-CD1 4.09Å; L173-L267 HydrophobicContact CD2-CD1 3.99Å; L173-L267 HydrophobicContact CG-CB 4.39Å; L173-L267 HydrophobicContact CG-CD1 3.75Å
174V98.1Very high96.6Very high0 Ų059.2 Ų59.20%028%0.279CS..EExtended strand (participates in β ladder)trans-134.6145.3-174.1-176.40000110.8K148 G149 L163 L166 S167 R170 A176 L267K148-V174 VanDerWaalsContact CE-C 3.46Å; K148-V174 WeakPolarHBondContact CE-O 3.3Å; G149-V174 CarbonylContact O-C 3.51Å; G149-V174 WeakPolarHBondContact O-CA 3.5Å; L163-V174 HydrophobicContact CD1-CG1 3.99Å; L163-V174 HydrophobicContact CG-CG1 4.38Å; L166-V174 HydrophobicContact CD2-CG2 3.99Å; L166-V174 HydrophobicContact CG-CG2 4.34Å; S167-V174 PolarHBondContact OG-O 3.24Å; R170-V174 PolarHBondContact O-N 3.24Å; R170-V174 VanDerWaalsContact O-N 3.16Å; V174-A176 HydrophobicContact CG1-CB 3.77Å; V174-L267 HydrophobicContact CG2-CD1 3.44Å; V174-L267 VanDerWaalsContact CG2-CD1 3.44Å
175R98.2Very high96.4Very high81 Ų8167.7 Ų67.731%0.30632%0.316SS..EExtended strand (participates in β ladder)trans-119.794.1164.3-177.2-179.2-176.11766.5108.8K148 G149 F150 F151 S167 E177K148-R175 HydrophobicContact CD-CB 4.19Å; G149-R175 PolarHBondContact O-N 3.01Å; F150-R175 WeakPolarHBondContact CA-O 3.19Å; F150-R175 HydrophobicContact CD2-CB 4.21Å; F150-R175 HydrophobicContact CD2-CG 4.28Å; F150-R175 WeakPolarHBondContact CD2-O 3.38Å; F150-R175 HydrophobicContact CE2-CG 4.36Å; F151-R175 PolarHBondContact N-O 3.32Å; S167-R175 WeakPolarHBondContact OG-CA 3.42Å; R175-E177 IonicContact CZ-OE2 3.81Å; R175-E177 IonicContact NE-OE2 3.59Å; R175-E177 PolarHBondContact NE-OE2 3.46Å; R175-E177 IonicContact NH2-OE2 3.55Å; R175-E177 PolarHBondContact NH2-OE2 3.24Å
176A98.5Very high96.2Very high2 Ų266.3 Ų66.32%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-126.4119179.500000109.5F151 L163 I164 S167 V174F151-A176 HydrophobicContact CB-CB 3.85Å; F151-A176 HydrophobicContact CD1-CB 4.44Å; F151-A176 WeakPolarHBondContact O-CA 3.32Å; L163-A176 HydrophobicContact CD2-CB 4.01Å; L163-A176 HydrophobicContact CG-CB 3.73Å; I164-A176 VanDerWaalsContact CD1-C 3.43Å; I164-A176 HydrophobicContact CD1-CB 3.75Å; I164-A176 WeakPolarHBondContact CD1-O 3.49Å; S167-A176 VanDerWaalsContact CB-N 3.33Å; S167-A176 WeakPolarHBondContact CB-O 3.48Å; S167-A176 PolarHBondContact OG-N 3.37Å; S167-A176 PolarHBondContact OG-O 2.73Å; V174-A176 HydrophobicContact CG1-CB 3.77Å
177E98.2Very high96.1Very high58 Ų5869.5 Ų69.527%0.27133%0.334SS..EExtended strand (participates in β ladder)trans-139.3140.2-171-60.1174.79500110.8F151 R152 R175 V196F151-E177 PolarHBondContact O-N 3.31Å; R152-E177 IonicContact CZ-OE2 3.82Å; R152-E177 IonicContact NH2-OE2 3.72Å; R152-E177 PolarHBondContact NH2-OE2 3.45Å; R175-E177 IonicContact CZ-OE2 3.81Å; R175-E177 IonicContact NE-OE2 3.59Å; R175-E177 PolarHBondContact NE-OE2 3.46Å; R175-E177 IonicContact NH2-OE2 3.55Å; R175-E177 PolarHBondContact NH2-OE2 3.24Å; E177-V196 HydrophobicContact CB-CB 4.49Å; E177-V196 HydrophobicContact CB-CG1 4.15Å; E177-V196 HydrophobicContact CB-CG2 3.57Å
178Y98.4Very high95.9Very high8 Ų875.8 Ų75.83%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-83.4130.9-178.9-79.2-44.4000113.5F151 G153 R155 R160 D161 I164 L191 V196F151-Y178 HydrophobicContact CE1-CE1 4.43Å; G153-Y178 CarbonylContact O-C 2.93Å; G153-Y178 VanDerWaalsContact O-CA 3.27Å; G153-Y178 WeakPolarHBondContact O-CA 3.4Å; G153-Y178 WeakPolarHBondContact O-CD1 3.41Å; R155-Y178 HydrophobicContact CB-CD1 3.93Å; R155-Y178 HydrophobicContact CB-CD2 4.2Å; R155-Y178 HydrophobicContact CB-CE1 3.67Å; R155-Y178 HydrophobicContact CB-CE2 3.9Å; R155-Y178 HydrophobicContact CB-CG 4.22Å; R155-Y178 HydrophobicContact CG-CE1 4.08Å; R155-Y178 HydrophobicContact CG-CE2 3.82Å; R160-Y178 VanDerWaalsContact C-OH 3.28Å; R160-Y178 HydrophobicContact CB-CE1 4.06Å; R160-Y178 WeakPolarHBondContact CB-OH 3.08Å; D161-Y178 PolarHBondContact N-OH 2.98Å; D161-Y178 WeakPolarHBondContact OD1-CE2 3.22Å; D161-Y178 PolarHBondContact OD1-OH 3.18Å; I164-Y178 HydrophobicContact CB-CD2 4.46Å; I164-Y178 HydrophobicContact CB-CE2 4.16Å; I164-Y178 HydrophobicContact CD1-CD1 4.13Å; I164-Y178 HydrophobicContact CD1-CD2 4.47Å; I164-Y178 HydrophobicContact CD1-CE1 4.1Å; I164-Y178 HydrophobicContact CD1-CE2 4.48Å; I164-Y178 HydrophobicContact CD1-CG 4.3Å; I164-Y178 HydrophobicContact CG1-CD1 4.12Å; I164-Y178 HydrophobicContact CG1-CD2 3.85Å; I164-Y178 HydrophobicContact CG1-CE1 3.77Å; I164-Y178 HydrophobicContact CG1-CE2 3.51Å; I164-Y178 HydrophobicContact CG1-CG 4.15Å; I164-Y178 VanDerWaalsContact CG1-CZ 3.46Å; I164-Y178 HydrophobicContact CG2-CD2 4.13Å; I164-Y178 HydrophobicContact CG2-CE2 4.27Å; Y178-L191 HydrophobicContact CD2-CD1 4.4Å; Y178-L191 HydrophobicContact CD2-CG 4.27Å; Y178-L191 HydrophobicContact CE2-CD1 3.76Å; Y178-L191 HydrophobicContact CE2-CG 3.84Å; Y178-V196 VanDerWaalsContact O-CG2 3.31Å; Y178-V196 WeakPolarHBondContact O-CG2 3.33Å; Y178-V196 PolarHBondContact O-N 2.79Å; Y178-V196 VanDerWaalsContact O-N 3.11Å
179T97.6Very high95.8Very high8 Ų873.1 Ų73.15%0.04936%0.356CS..EExtended strand (participates in β ladder)trans-92.6168.9167.867.80000111R152 G153 S154 V196 E198R152-T179 VanDerWaalsContact CD-CG2 3.47Å; R152-T179 HydrophobicContact CG-CG2 3.74Å; G153-T179 VanDerWaalsContact C-OG1 3.23Å; G153-T179 PolarHBondContact O-N 3.14Å; S154-T179 WeakPolarHBondContact CA-O 3.36Å; S154-T179 PolarHBondContact N-OG1 2.84Å; T179-V196 HydrophobicContact CG2-CG2 4.23Å; T179-E198 HydrophobicContact CG2-CG 3.96Å
180K95.9Very high95.8Very high95 Ų9565.8 Ų65.841%0.41333%0.329SS..PPolyproline II helixtrans-80.3148.8166.3-60.5-161.4174.8-166.10110.1W184 A195K180-W184 HydrophobicContact CB-CB 4.19Å; K180-W184 HydrophobicContact CB-CG 4.21Å; K180-W184 HydrophobicContact CD-CB 4.34Å; K180-W184 HydrophobicContact CD-CD2 3.76Å; K180-W184 HydrophobicContact CD-CE3 4.25Å; K180-W184 HydrophobicContact CD-CG 3.77Å; K180-W184 HydrophobicContact CG-CB 4.41Å; K180-W184 HydrophobicContact CG-CD2 4.34Å; K180-W184 HydrophobicContact CG-CG 3.9Å; K180-A195 HydrophobicContact CD-CB 4.21Å; K180-A195 HydrophobicContact CG-CB 3.38Å
181N93.9Very high95.8Very high57 Ų5763 Ų6331%0.30532%0.321SS..  trans-113.5178.816062.416.3000108.7A183 W184N181-A183 PolarHBondContact O-N 2.96Å; N181-A183 WeakPolarHBondContact OD1-CA 3.44Å; N181-A183 PolarHBondContact OD1-N 3.44Å; N181-A183 VanDerWaalsContact OD1-N 3.07Å; N181-W184 WeakPolarHBondContact O-CB 3.46Å; N181-W184 PolarHBondContact O-N 2.88Å; N181-W184 PolarHBondContact OD1-N 3.35Å; N181-W184 VanDerWaalsContact OD1-N 3.08Å
182Q90.9Very high95.8Very high177 Ų17761.6 Ų61.683%0.82732%0.321SS*.THydrogen-bonded Turntrans-64.3-19.6179.1-65.5176.7-10.500113.5
183A91.5Very high95.7Very high67 Ų6763 Ų6355%0.55433%0.326SS*.THydrogen-bonded Turntrans-95.310.6179.300000113.8N181 K185N181-A183 PolarHBondContact O-N 2.96Å; N181-A183 WeakPolarHBondContact OD1-CA 3.44Å; N181-A183 PolarHBondContact OD1-N 3.44Å; N181-A183 VanDerWaalsContact OD1-N 3.07Å; A183-K185 PolarHBondContact O-N 2.83Å
184W93.4Very high95.6Very high85 Ų8572.2 Ų72.232%0.32237%0.366SS..  trans-63.1128-179.7-176.491.5000111K180 N181 S186 D189K180-W184 HydrophobicContact CB-CB 4.19Å; K180-W184 HydrophobicContact CB-CG 4.21Å; K180-W184 HydrophobicContact CD-CB 4.34Å; K180-W184 HydrophobicContact CD-CD2 3.76Å; K180-W184 HydrophobicContact CD-CE3 4.25Å; K180-W184 HydrophobicContact CD-CG 3.77Å; K180-W184 HydrophobicContact CG-CB 4.41Å; K180-W184 HydrophobicContact CG-CD2 4.34Å; K180-W184 HydrophobicContact CG-CG 3.9Å; N181-W184 WeakPolarHBondContact O-CB 3.46Å; N181-W184 PolarHBondContact O-N 2.88Å; N181-W184 PolarHBondContact OD1-N 3.35Å; N181-W184 VanDerWaalsContact OD1-N 3.08Å; W184-S186 VanDerWaalsContact CZ2-O 3.3Å; W184-S186 WeakPolarHBondContact CZ2-O 3.48Å; W184-S186 PolarHBondContact NE1-O 2.91Å; W184-D189 HydrophobicContact CG-CB 4.44Å
185K94.3Very high95.5Very high182 Ų18273.3 Ų73.379%0.79138%0.375SS*.  trans-116.6-38-178.1-66.2178.8-177.2-178.30112.7A183 D189A183-K185 PolarHBondContact O-N 2.83Å; K185-D189 PolarHBondContact N-OD2 3.27Å
186S94.8Very high95.4Very high40 Ų4071.3 Ų71.328%0.2837%0.371SS..SBendtrans-152.6173.3-174.2760000113.5W184 Q188 D189W184-S186 VanDerWaalsContact CZ2-O 3.3Å; W184-S186 WeakPolarHBondContact CZ2-O 3.48Å; W184-S186 PolarHBondContact NE1-O 2.91Å; S186-Q188 PolarHBondContact O-N 3Å; S186-Q188 VanDerWaalsContact O-N 3.13Å; S186-Q188 WeakPolarHBondContact OG-CB 3.37Å; S186-Q188 PolarHBondContact OG-N 3.35Å; S186-D189 PolarHBondContact N-OD2 2.81Å; S186-D189 WeakPolarHBondContact O-CB 3.39Å; S186-D189 PolarHBondContact O-N 3.12Å; S186-D189 VanDerWaalsContact O-N 3.07Å
187S93.9Very high95.3Very high68 Ų6879.4 Ų79.448%0.47641%0.406SS..G310 helixtrans-59.5-19.4172.457.50000113.3D189 T190 L191 G192S187-D189 PolarHBondContact O-N 3.1Å; S187-T190 CarbonylContact O-C 3.42Å; S187-T190 PolarHBondContact O-N 2.86Å; S187-T190 VanDerWaalsContact O-N 3.11Å; S187-T190 PolarHBondContact O-OG1 2.89Å; S187-L191 PolarHBondContact O-N 3.46Å; S187-G192 WeakPolarHBondContact O-CA 3.34Å; S187-G192 PolarHBondContact O-N 2.9Å
188Q95.2Very high95.3Very high144 Ų14479.2 Ų79.267%0.67341%0.405SS*.G310 helixtrans-64.3-29.6174.6-61.9-176.3-3.700112.2S186 T190 L191S186-Q188 PolarHBondContact O-N 3Å; S186-Q188 VanDerWaalsContact O-N 3.13Å; S186-Q188 WeakPolarHBondContact OG-CB 3.37Å; S186-Q188 PolarHBondContact OG-N 3.35Å; Q188-T190 PolarHBondContact O-N 3.49Å; Q188-T190 VanDerWaalsContact O-N 3.13Å; Q188-L191 PolarHBondContact O-N 2.94Å
189D95.9Very high95.2Very high44 Ų4480.3 Ų80.324%0.23541%0.413CS..G310 helixtrans-67.1-13.4176.2-61.7-45.5000112.6R155 W184 K185 S186 S187R155-D189 WeakPolarHBondContact CB-O 3.15Å; R155-D189 WeakPolarHBondContact CD-O 3.47Å; W184-D189 HydrophobicContact CG-CB 4.44Å; K185-D189 PolarHBondContact N-OD2 3.27Å; S186-D189 PolarHBondContact N-OD2 2.81Å; S186-D189 WeakPolarHBondContact O-CB 3.39Å; S186-D189 PolarHBondContact O-N 3.12Å; S186-D189 VanDerWaalsContact O-N 3.07Å; S187-D189 PolarHBondContact O-N 3.1Å
190T97.1Very high95.2Very high4 Ų482.4 Ų82.43%0.02543%0.427CS..G310 helixtrans-121.722.7173.950.60000112R168 S187 Q188 G192 M193 A195R168-T190 PolarHBondContact NH2-O 2.72Å; S187-T190 CarbonylContact O-C 3.42Å; S187-T190 PolarHBondContact O-N 2.86Å; S187-T190 VanDerWaalsContact O-N 3.11Å; S187-T190 PolarHBondContact O-OG1 2.89Å; Q188-T190 PolarHBondContact O-N 3.49Å; Q188-T190 VanDerWaalsContact O-N 3.13Å; T190-G192 VanDerWaalsContact C-N 3.3Å; T190-G192 PolarHBondContact O-N 3.38Å; T190-M193 VanDerWaalsContact CB-O 3.27Å; T190-M193 WeakPolarHBondContact CB-O 3.31Å; T190-M193 PolarHBondContact O-N 2.89Å; T190-M193 PolarHBondContact OG1-O 3.06Å; T190-A195 HydrophobicContact CG2-CB 3.69Å
191L96.9Very high95.3Very high42 Ų4278.8 Ų78.822%0.2241%0.411CS..THydrogen-bonded Turntrans49.548.6-179.1-60.7177000112.5D161 I164 L165 R168 Y178 S187 Q188 M193D161-L191 HydrophobicContact CB-CD1 3.95Å; I164-L191 HydrophobicContact CB-CD1 4.31Å; I164-L191 HydrophobicContact CG2-CD1 4.25Å; L165-L191 HydrophobicContact CD2-CD1 4.25Å; L165-L191 HydrophobicContact CG-CD1 4.26Å; R168-L191 PolarHBondContact NH1-O 3.13Å; R168-L191 PolarHBondContact NH2-O 2.74Å; Y178-L191 HydrophobicContact CD2-CD1 4.4Å; Y178-L191 HydrophobicContact CD2-CG 4.27Å; Y178-L191 HydrophobicContact CE2-CD1 3.76Å; Y178-L191 HydrophobicContact CE2-CG 3.84Å; S187-L191 PolarHBondContact O-N 3.46Å; Q188-L191 PolarHBondContact O-N 2.94Å; L191-M193 VanDerWaalsContact C-N 3.26Å; L191-M193 PolarHBondContact O-N 3.4Å
192G96.1Very high95.5Very high47 Ų4777.7 Ų77.749%0.48540%0.404SS..THydrogen-bonded Turntrans78.8-6.6176.400000115.8S187 T190S187-G192 WeakPolarHBondContact O-CA 3.34Å; S187-G192 PolarHBondContact O-N 2.9Å; T190-G192 VanDerWaalsContact C-N 3.3Å; T190-G192 PolarHBondContact O-N 3.38Å
193M94.7Very high95.9Very high110 Ų11072.3 Ų72.354%0.54238%0.377SS..SBendtrans-96.9157.4-178.8-67.5-67.4104.900112.2R168 T190 L191 A195R168-M193 VanDerWaalsContact CZ-CG 3.41Å; T190-M193 VanDerWaalsContact CB-O 3.27Å; T190-M193 WeakPolarHBondContact CB-O 3.31Å; T190-M193 PolarHBondContact O-N 2.89Å; T190-M193 PolarHBondContact OG1-O 3.06Å; L191-M193 VanDerWaalsContact C-N 3.26Å; L191-M193 PolarHBondContact O-N 3.4Å; M193-A195 PolarHBondContact O-N 2.77Å
194K94.8Very high96.2Very high197 Ų19769.6 Ų69.686%0.85735%0.353SS*.PPolyproline II helixtrans-62129.3171.7-174.5175.5-179.11750109.8V196K194-V196 PolarHBondContact O-N 3.3Å
195A95.4Very high96.4Very high23 Ų2365.5 Ų65.519%0.1934%0.337CS..PPolyproline II helixtrans-61.6134.9176.200000111.1K180 T190 M193K180-A195 HydrophobicContact CD-CB 4.21Å; K180-A195 HydrophobicContact CG-CB 3.38Å; T190-A195 HydrophobicContact CG2-CB 3.69Å; M193-A195 PolarHBondContact O-N 2.77Å
196V96.7Very high96.7Very high39 Ų3959.8 Ų59.824%0.23631%0.311CS..BIsolated β-bridgetrans-87.1160.6176.3-66.40000111.2R152 E177 Y178 T179 K194R152-V196 VanDerWaalsContact CD-CG2 3.47Å; R152-V196 VanDerWaalsContact NH1-CB 3.34Å; E177-V196 HydrophobicContact CB-CB 4.49Å; E177-V196 HydrophobicContact CB-CG1 4.15Å; E177-V196 HydrophobicContact CB-CG2 3.57Å; Y178-V196 VanDerWaalsContact O-CG2 3.31Å; Y178-V196 WeakPolarHBondContact O-CG2 3.33Å; Y178-V196 PolarHBondContact O-N 2.79Å; Y178-V196 VanDerWaalsContact O-N 3.11Å; T179-V196 HydrophobicContact CG2-CG2 4.23Å; K194-V196 PolarHBondContact O-N 3.3Å
197K96.7Very high96.8Very high172 Ų17258 Ų5875%0.74830%0.298SS*.PPolyproline II helixtrans-67.5146.7173.8-65179.5-178.4174.30110.6R152R152-K197 PolarHBondContact NH1-O 2.99Å; R152-K197 VanDerWaalsContact NH1-O 3.15Å
198E96.7Very high97.1Very high55 Ų5555.4 Ų55.426%0.25728%0.278SS..PPolyproline II helixtrans-62.4155.6166.6-63.6159.116300110.2I116 K117 P118 T179I116-E198 WeakPolarHBondContact CB-OE2 3.24Å; I116-E198 VanDerWaalsContact CG2-OE1 3.31Å; I116-E198 WeakPolarHBondContact CG2-OE1 3.1Å; K117-E198 WeakPolarHBondContact CB-OE2 3.19Å; K117-E198 PolarHBondContact N-OE2 3.01Å; P118-E198 HydrophobicContact CG-CB 4.39Å; T179-E198 HydrophobicContact CG2-CG 3.96Å
199V97.2Very high97.3Very high30 Ų3048.6 Ų48.618%0.18225%0.246CC..  trans-128.1147.7176-590000108.6F150 R152 Y203F150-V199 HydrophobicContact CE1-CG2 4.43Å; F150-V199 HydrophobicContact CZ-CG2 4.31Å; R152-V199 HydrophobicContact CB-CG2 3.99Å; R152-V199 HydrophobicContact CG-CG1 4.44Å; R152-V199 HydrophobicContact CG-CG2 3.92Å; V199-Y203 HydrophobicContact CB-CD1 4.06Å; V199-Y203 HydrophobicContact CB-CG 4.04Å; V199-Y203 HydrophobicContact CG1-CD1 4.07Å; V199-Y203 HydrophobicContact CG1-CG 4.3Å; V199-Y203 HydrophobicContact CG2-CD1 3.97Å; V199-Y203 HydrophobicContact CG2-CG 4.28Å
200P97.4Very high97.4Very high53 Ų5346.5 Ų46.534%0.34424%0.235SC..  trans-63.3159172.730-36.7000110.8P118 E202 Y203P118-P200 HydrophobicContact CB-CB 4.11Å; P200-E202 WeakPolarHBondContact CB-OE2 3.49Å; P200-E202 PolarHBondContact O-N 3.44Å; P200-Y203 WeakPolarHBondContact O-CB 3.47Å; P200-Y203 PolarHBondContact O-N 3.18Å
201F98.1Very high97.5Very high19 Ų1946.4 Ų46.48%0.08323%0.234CC..Hα-helixtrans-59.3-36-178.3-73.9-62.6000112.2Y119 I123 L129 L133 Y203 N204 H224Y119-F201 HydrophobicContact CD2-CE2 4.44Å; Y119-F201 AromaticContact CE2-CD2 3.6Å; Y119-F201 HydrophobicContact CE2-CD2 3.6Å; Y119-F201 AromaticContact CE2-CE2 3.79Å; Y119-F201 HydrophobicContact CE2-CE2 3.79Å; Y119-F201 HydrophobicContact CE2-CG 4.41Å; Y119-F201 AromaticContact CZ-CD2 3.59Å; Y119-F201 VanDerWaalsContact OH-CD2 3.27Å; Y119-F201 WeakPolarHBondContact OH-CD2 3.38Å; Y119-F201 PolarHBondContact OH-N 3.38Å; I123-F201 HydrophobicContact CD1-CE2 4.01Å; I123-F201 HydrophobicContact CD1-CZ 3.87Å; I123-F201 HydrophobicContact CG1-CE2 4.11Å; I123-F201 HydrophobicContact CG1-CZ 4.47Å; I123-F201 HydrophobicContact CG2-CE2 3.91Å; I123-F201 HydrophobicContact CG2-CZ 4.36Å; L129-F201 HydrophobicContact CD1-CD2 4.37Å; L129-F201 HydrophobicContact CD1-CE2 4.42Å; L129-F201 HydrophobicContact CD2-CD2 4.35Å; L133-F201 HydrophobicContact CD1-CB 4.41Å; L133-F201 HydrophobicContact CD2-CB 3.72Å; F201-Y203 PolarHBondContact O-N 3.21Å; F201-Y203 VanDerWaalsContact O-N 3.16Å; F201-N204 WeakPolarHBondContact CA-ND2 3.48Å; F201-N204 VanDerWaalsContact O-CB 3.27Å; F201-N204 WeakPolarHBondContact O-CB 3.39Å; F201-N204 PolarHBondContact O-N 3.34Å; F201-N204 PolarHBondContact O-ND2 3.32Å; F201-H224 HydrophobicContact CB-CB 4.48Å; F201-H224 HydrophobicContact CD1-CB 3.71Å; F201-H224 AromaticContact CD1-CG 3.96Å; F201-H224 HydrophobicContact CD2-CB 4.46Å; F201-H224 AromaticContact CD2-CD2 3.75Å; F201-H224 HydrophobicContact CE1-CB 3.95Å; F201-H224 AromaticContact CE1-CG 3.85Å; F201-H224 AromaticContact CE1-ND1 3.89Å; F201-H224 AromaticContact CE2-CD2 3.74Å; F201-H224 AromaticContact CE2-CE1 3.93Å; F201-H224 AromaticContact CE2-CG 3.93Å; F201-H224 AromaticContact CE2-NE2 3.77Å; F201-H224 HydrophobicContact CG-CB 3.99Å; F201-H224 HydrophobicContact CZ-CB 4.43Å; F201-H224 AromaticContact CZ-CE1 3.84Å; F201-H224 AromaticContact CZ-CG 3.83Å; F201-H224 AromaticContact CZ-ND1 3.65Å
202E98.2Very high97.6Very high34 Ų3444.4 Ų44.416%0.15922%0.224CC..Hα-helixtrans-54.9-33.4175.9-66.382.117700112.2Y119 T132 L133 E136 P200 N204 C205 R206Y119-E202 PolarHBondContact OH-OE2 3.32Å; T132-E202 VanDerWaalsContact CB-OE1 3.31Å; T132-E202 WeakPolarHBondContact CB-OE1 3.48Å; T132-E202 PolarHBondContact OG1-OE1 3.11Å; L133-E202 HydrophobicContact CD2-CG 4.23Å; E136-E202 HydrophobicContact CB-CB 4.21Å; E136-E202 HydrophobicContact CB-CG 4.16Å; E136-E202 HydrophobicContact CG-CB 3.77Å; E136-E202 HydrophobicContact CG-CG 4.29Å; E136-E202 WeakPolarHBondContact CG-O 3.27Å; P200-E202 WeakPolarHBondContact CB-OE2 3.49Å; P200-E202 PolarHBondContact O-N 3.44Å; E202-N204 PolarHBondContact O-N 3.17Å; E202-C205 WeakPolarHBondContact O-CB 3.41Å; E202-C205 PolarHBondContact O-N 3.24Å; E202-R206 PolarHBondContact O-NH1 2.72Å
203Y98.4Very high97.6Very high64 Ų6442.3 Ų42.325%0.25120%0.202SC..Hα-helixtrans-60.1-32.9178.4-169.6-96.7000112.8F150 V199 P200 F201 C205 R206 F207F150-Y203 HydrophobicContact CE1-CD1 4.17Å; F150-Y203 HydrophobicContact CE2-CD1 4.48Å; F150-Y203 HydrophobicContact CE2-CE1 4.12Å; F150-Y203 AromaticContact CZ-CD1 3.74Å; F150-Y203 HydrophobicContact CZ-CD1 3.74Å; F150-Y203 AromaticContact CZ-CE1 3.81Å; F150-Y203 HydrophobicContact CZ-CE1 3.81Å; V199-Y203 HydrophobicContact CB-CD1 4.06Å; V199-Y203 HydrophobicContact CB-CG 4.04Å; V199-Y203 HydrophobicContact CG1-CD1 4.07Å; V199-Y203 HydrophobicContact CG1-CG 4.3Å; V199-Y203 HydrophobicContact CG2-CD1 3.97Å; V199-Y203 HydrophobicContact CG2-CG 4.28Å; P200-Y203 WeakPolarHBondContact O-CB 3.47Å; P200-Y203 PolarHBondContact O-N 3.18Å; F201-Y203 PolarHBondContact O-N 3.21Å; F201-Y203 VanDerWaalsContact O-N 3.16Å; Y203-C205 PolarHBondContact O-N 3.07Å; Y203-R206 VanDerWaalsContact CA-NH1 3.33Å; Y203-R206 PolarHBondContact O-N 3.43Å; Y203-F207 HydrophobicContact CD1-CE2 4.2Å; Y203-F207 AromaticContact CE1-CE2 3.73Å; Y203-F207 HydrophobicContact CE1-CE2 3.73Å; Y203-F207 HydrophobicContact CE1-CZ 4.22Å
204N98.4Very high97.6Very high9 Ų937.7 Ų37.75%0.04818%0.181CC..Hα-helixtrans-61.5-29.9179.7-60.4-90.9000111.4F150 F201 E202 R206 F207 L210F150-N204 HydrophobicContact CD1-CB 4.4Å; F150-N204 WeakPolarHBondContact CD1-OD1 3.15Å; F150-N204 HydrophobicContact CE1-CB 4.49Å; F150-N204 WeakPolarHBondContact CE1-OD1 3.29Å; F201-N204 WeakPolarHBondContact CA-ND2 3.48Å; F201-N204 VanDerWaalsContact O-CB 3.27Å; F201-N204 WeakPolarHBondContact O-CB 3.39Å; F201-N204 PolarHBondContact O-N 3.34Å; F201-N204 PolarHBondContact O-ND2 3.32Å; E202-N204 PolarHBondContact O-N 3.17Å; N204-R206 PolarHBondContact O-N 3.09Å; N204-F207 PolarHBondContact O-N 3.36Å; N204-L210 HydrophobicContact CB-CD1 3.96Å; N204-L210 HydrophobicContact CB-CD2 3.98Å; N204-L210 WeakPolarHBondContact O-CD2 3.34Å
205C98.6Very high97.5Very high0 Ų028.6 Ų28.60%014%0.143CC..THydrogen-bonded Turntrans-66.8-8.6-173.3-51.70000114.1E136 W140 K145 E202 Y203 F207 C228E136-C205 HydrophobicContact CG-CB 3.78Å; W140-C205 WeakPolarHBondContact CB-O 3.41Å; K145-C205 PolarHBondContact NZ-O 2.76Å; E202-C205 WeakPolarHBondContact O-CB 3.41Å; E202-C205 PolarHBondContact O-N 3.24Å; Y203-C205 PolarHBondContact O-N 3.07Å; C205-F207 VanDerWaalsContact C-N 3.28Å; C205-F207 PolarHBondContact O-N 2.9Å; C205-C228 WeakPolarHBondContact CA-SG 3.34Å; C205-C228 HydrophobicContact CB-CB 3.62Å; C205-C228 WeakPolarHBondContact CB-SG 3.43Å; C205-C228 PolarHBondContact N-SG 2.77Å; C205-C228 WeakPolarHBondContact SG-CA 3.34Å; C205-C228 WeakPolarHBondContact SG-CB 2.85Å; C205-C228 CovalentContact SG-SG 2.05Å; C205-C228 PolarHBondContact SG-SG 3.21Å
206R98.6Very high97.4Very high62 Ų6230.7 Ų30.723%0.23415%0.153CC..THydrogen-bonded Turntrans-73.4-11.3172.5-71.3159.4-176.966.83.7114.3E136 W140 K145 K146 E202 Y203 N204E136-R206 IonicContact OE1-CZ 3.62Å; E136-R206 VanDerWaalsContact OE1-CZ 3.27Å; E136-R206 IonicContact OE1-NH1 2.59Å; E136-R206 PolarHBondContact OE1-NH1 2.93Å; E136-R206 IonicContact OE1-NH2 3.45Å; E136-R206 PolarHBondContact OE1-NH2 2.86Å; W140-R206 HydrophobicContact CD2-CB 4.47Å; W140-R206 HydrophobicContact CD2-CG 3.8Å; W140-R206 HydrophobicContact CE3-CG 4.24Å; W140-R206 HydrophobicContact CG-CG 4.4Å; W140-R206 HydrophobicContact CH2-CG 4.01Å; W140-R206 HydrophobicContact CZ2-CG 3.52Å; W140-R206 HydrophobicContact CZ3-CG 4.33Å; K145-R206 WeakPolarHBondContact CA-O 3.06Å; K146-R206 PolarHBondContact N-O 3.16Å; E202-R206 PolarHBondContact O-NH1 2.72Å; Y203-R206 VanDerWaalsContact CA-NH1 3.33Å; Y203-R206 PolarHBondContact O-N 3.43Å; N204-R206 PolarHBondContact O-N 3.09Å
207F98.8Very high97.3Very high3 Ų329.5 Ų29.51%0.01315%0.147CC..EExtended strand (participates in β ladder)trans-118141-173.1-60.3-93.5000111.1K146 K148 F150 Y203 N204 C205 L210 S230K146-F207 HydrophobicContact CB-CD1 4.08Å; K146-F207 HydrophobicContact CB-CE1 4.49Å; K146-F207 HydrophobicContact CD-CD1 4.43Å; K146-F207 HydrophobicContact CD-CE1 4.05Å; K148-F207 HydrophobicContact CB-CD1 4.36Å; F150-F207 HydrophobicContact CB-CB 3.75Å; F150-F207 HydrophobicContact CB-CD1 3.8Å; F150-F207 HydrophobicContact CB-CD2 3.79Å; F150-F207 HydrophobicContact CB-CE1 4.33Å; F150-F207 HydrophobicContact CB-CE2 4.34Å; F150-F207 HydrophobicContact CB-CG 3.5Å; F150-F207 AromaticContact CD1-CD2 3.88Å; F150-F207 HydrophobicContact CD1-CD2 3.88Å; F150-F207 HydrophobicContact CD1-CE2 4.1Å; F150-F207 HydrophobicContact CD1-CG 4.47Å; F150-F207 HydrophobicContact CD2-CD1 4.15Å; F150-F207 AromaticContact CD2-CD2 3.84Å; F150-F207 HydrophobicContact CD2-CD2 3.84Å; F150-F207 AromaticContact CD2-CE1 3.81Å; F150-F207 HydrophobicContact CD2-CE1 3.81Å; F150-F207 AromaticContact CD2-CE2 3.49Å; F150-F207 HydrophobicContact CD2-CE2 3.49Å; F150-F207 VanDerWaalsContact CD2-CE2 3.49Å; F150-F207 HydrophobicContact CD2-CG 4.16Å; F150-F207 AromaticContact CD2-CZ 3.48Å; F150-F207 HydrophobicContact CD2-CZ 3.48Å; F150-F207 VanDerWaalsContact CD2-CZ 3.48Å; F150-F207 HydrophobicContact CE1-CD2 4.42Å; F150-F207 HydrophobicContact CE1-CE2 4.28Å; F150-F207 HydrophobicContact CE2-CD2 4.39Å; F150-F207 AromaticContact CE2-CE2 3.7Å; F150-F207 HydrophobicContact CE2-CE2 3.7Å; F150-F207 AromaticContact CE2-CZ 3.77Å; F150-F207 HydrophobicContact CE2-CZ 3.77Å; F150-F207 HydrophobicContact CG-CB 4.45Å; F150-F207 HydrophobicContact CG-CD1 4.17Å; F150-F207 AromaticContact CG-CD2 3.55Å; F150-F207 HydrophobicContact CG-CD2 3.55Å; F150-F207 HydrophobicContact CG-CE1 4.29Å; F150-F207 AromaticContact CG-CE2 3.71Å; F150-F207 HydrophobicContact CG-CE2 3.71Å; F150-F207 AromaticContact CG-CG 3.8Å; F150-F207 HydrophobicContact CG-CG 3.8Å; F150-F207 HydrophobicContact CG-CZ 4.08Å; F150-F207 HydrophobicContact CZ-CE2 4.09Å; Y203-F207 HydrophobicContact CD1-CE2 4.2Å; Y203-F207 AromaticContact CE1-CE2 3.73Å; Y203-F207 HydrophobicContact CE1-CE2 3.73Å; Y203-F207 HydrophobicContact CE1-CZ 4.22Å; N204-F207 PolarHBondContact O-N 3.36Å; C205-F207 VanDerWaalsContact C-N 3.28Å; C205-F207 PolarHBondContact O-N 2.9Å; F207-L210 HydrophobicContact CB-CD2 3.96Å; F207-S230 VanDerWaalsContact O-CB 3.31Å; F207-S230 WeakPolarHBondContact O-CB 3.29Å; F207-S230 PolarHBondContact O-OG 3.16Å
208K98.8Very high97.3Very high13 Ų1322.5 Ų22.56%0.05712%0.122CC..EExtended strand (participates in β ladder)trans-69.8-35177.1-74.4-171.7171.7-175.80112.3W142 K145 K146 L231 D274W142-K208 HydrophobicContact CD2-CD 4.45Å; W142-K208 HydrophobicContact CH2-CB 4.19Å; W142-K208 HydrophobicContact CH2-CD 4.28Å; W142-K208 HydrophobicContact CH2-CG 4.28Å; W142-K208 HydrophobicContact CZ2-CD 3.77Å; W142-K208 HydrophobicContact CZ2-CG 4.23Å; W142-K208 HydrophobicContact CZ3-CB 4.47Å; W142-K208 HydrophobicContact CZ3-CG 4.44Å; W142-K208 WeakPolarHBondContact O-CE 3.3Å; K145-K208 HydrophobicContact CB-CB 4.46Å; K145-K208 HydrophobicContact CB-CG 3.54Å; K146-K208 PolarHBondContact O-N 3.29Å; K208-L231 WeakPolarHBondContact O-CA 3.5Å; K208-L231 WeakPolarHBondContact O-CB 3.4Å; K208-L231 PolarHBondContact O-N 3.44Å; K208-D274 IonicContact NZ-OD1 3.8Å; K208-D274 PolarHBondContact NZ-OD1 3.43Å; K208-D274 IonicContact NZ-OD2 2.67Å; K208-D274 PolarHBondContact NZ-OD2 3.02Å
209Y98.8Very high97.3Very high0 Ų020.8 Ų20.80%012%0.116CC..EExtended strand (participates in β ladder)trans-119.2108.5-167.7-47.8-37.2000110.3G149 F150 L231 F233 L267 A270 R271G149-Y209 CarbonylContact C-O 3.5Å; G149-Y209 WeakPolarHBondContact CA-O 3.4Å; F150-Y209 PolarHBondContact N-O 3.27Å; Y209-L231 WeakPolarHBondContact CA-O 3.5Å; Y209-L231 HydrophobicContact CD1-CB 4.24Å; Y209-L231 HydrophobicContact CD1-CD2 4.16Å; Y209-L231 HydrophobicContact CE1-CD2 4.48Å; Y209-F233 AromaticContact CD1-CE2 3.93Å; Y209-F233 HydrophobicContact CD1-CE2 3.93Å; Y209-F233 AromaticContact CG-CE2 3.9Å; Y209-F233 HydrophobicContact CG-CE2 3.9Å; Y209-L267 HydrophobicContact CD2-CD2 3.68Å; Y209-L267 HydrophobicContact CE2-CD2 4.45Å; Y209-L267 HydrophobicContact CG-CD2 4.03Å; Y209-A270 HydrophobicContact CD1-CB 4.45Å; Y209-A270 HydrophobicContact CE1-CB 3.95Å; Y209-A270 PolarHBondContact OH-O 2.85Å; Y209-R271 HydrophobicContact CE2-CG 4.05Å
210L98.9Very high97.4Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-112126.5-175.1-60.5-176.2000111.1F150 N204 F207 L225 C228 L231 V232 F233F150-L210 HydrophobicContact CB-CD2 3.97Å; F150-L210 HydrophobicContact CD1-CD2 4.17Å; N204-L210 HydrophobicContact CB-CD1 3.96Å; N204-L210 HydrophobicContact CB-CD2 3.98Å; N204-L210 WeakPolarHBondContact O-CD2 3.34Å; F207-L210 HydrophobicContact CB-CD2 3.96Å; L210-L225 HydrophobicContact CB-CB 4.24Å; L210-L225 HydrophobicContact CB-CD1 4.03Å; L210-L225 HydrophobicContact CB-CD2 4.21Å; L210-L225 HydrophobicContact CB-CG 4.38Å; L210-L225 HydrophobicContact CD1-CB 4.07Å; L210-L225 HydrophobicContact CD1-CD2 4.07Å; L210-C228 HydrophobicContact CD1-CB 3.95Å; L210-L231 PolarHBondContact N-O 2.59Å; L210-V232 CarbonylContact O-C 3.56Å; L210-V232 WeakPolarHBondContact O-CA 3.14Å; L210-F233 PolarHBondContact O-N 3.13Å
211F98.7Very high97.4Very high2 Ų220.2 Ų20.21%0.00910%0.104CC..EExtended strand (participates in β ladder)trans-94.2131.2-178.8-74.5-91.8000112.4F150 F151 L163 F233 I235 V256 V263 L267F150-F211 PolarHBondContact O-N 3.24Å; F150-F211 VanDerWaalsContact O-N 3.1Å; F151-F211 HydrophobicContact CB-CB 4.31Å; L163-F211 HydrophobicContact CD1-CD1 4.03Å; L163-F211 HydrophobicContact CD1-CD2 4.17Å; L163-F211 HydrophobicContact CD1-CE1 3.98Å; L163-F211 HydrophobicContact CD1-CE2 4.12Å; L163-F211 HydrophobicContact CD1-CG 4.13Å; L163-F211 HydrophobicContact CD1-CZ 4.03Å; L163-F211 HydrophobicContact CD2-CB 3.68Å; L163-F211 HydrophobicContact CD2-CD1 4.06Å; L163-F211 HydrophobicContact CD2-CD2 4.15Å; L163-F211 HydrophobicContact CD2-CG 3.69Å; F211-F233 CarbonylContact C-O 3Å; F211-F233 WeakPolarHBondContact CA-O 3.49Å; F211-F233 HydrophobicContact CD1-CB 3.55Å; F211-F233 HydrophobicContact CD1-CG 4.37Å; F211-F233 HydrophobicContact CE1-CB 3.53Å; F211-F233 HydrophobicContact CE1-CD1 4.15Å; F211-F233 AromaticContact CE1-CG 3.91Å; F211-F233 HydrophobicContact CE1-CG 3.91Å; F211-F233 HydrophobicContact CG-CB 4.13Å; F211-F233 HydrophobicContact CZ-CB 4.08Å; F211-F233 HydrophobicContact CZ-CD1 4.24Å; F211-F233 HydrophobicContact CZ-CD2 4.42Å; F211-F233 HydrophobicContact CZ-CG 4Å; F211-I235 HydrophobicContact CD1-CD1 3.93Å; F211-I235 HydrophobicContact CD1-CG1 4.24Å; F211-V256 HydrophobicContact CE1-CG2 4.33Å; F211-V263 HydrophobicContact CE1-CG2 3.55Å; F211-V263 HydrophobicContact CZ-CG2 3.61Å; F211-L267 HydrophobicContact CE2-CD1 4.45Å; F211-L267 HydrophobicContact CE2-CD2 4.22Å; F211-L267 HydrophobicContact CZ-CD1 4.06Å; F211-L267 HydrophobicContact CZ-CD2 4.06Å; F211-L267 HydrophobicContact CZ-CG 4.22Å
212N98.6Very high97.4Very high1 Ų119.3 Ų19.31%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-109.3144.6163.7-176.659000110.6L222 L225 F233 H234 I235N212-L222 HydrophobicContact CB-CB 4.45Å; N212-L222 HydrophobicContact CB-CD1 3.64Å; N212-L225 HydrophobicContact CB-CD1 3.87Å; N212-F233 PolarHBondContact N-O 3.42Å; N212-H234 PolarHBondContact ND2-CE1 3.45Å; N212-H234 PolarHBondContact ND2-ND1 3.22Å; N212-H234 VanDerWaalsContact ND2-ND1 3.19Å; N212-I235 WeakPolarHBondContact O-CB 2.96Å; N212-I235 PolarHBondContact O-N 3.22Å
213S96.5Very high97.4Very high3 Ų317.7 Ų17.72%0.0219%0.093CC..EExtended strand (participates in β ladder)trans-151.4144.9172.9173.90000109R160R160-S213 WeakPolarHBondContact CG-OG 3.4Å; R160-S213 PolarHBondContact NH2-O 2.05Å
214A95.1Very high97.4Very high13 Ų1314.7 Ų14.711%0.1078%0.081CC..  trans-50.6150170.700000112N157 R160 A217 W239N157-A214 WeakPolarHBondContact CB-O 3.4Å; R160-A214 PolarHBondContact NE-O 3.32Å; R160-A214 VanDerWaalsContact NE-O 3.09Å; R160-A214 PolarHBondContact NH2-O 2.86Å; A214-A217 CarbonylContact C-O 3.59Å; A214-A217 WeakPolarHBondContact CA-O 3.44Å; A214-A217 WeakPolarHBondContact CB-O 3.42Å; A214-W239 HydrophobicContact CB-CB 4Å; A214-W239 HydrophobicContact CB-CG 3.94Å
215G93.6Very high97.4Very high6 Ų614.4 Ų14.46%0.0628%0.08CC..SBendtrans-106.4-121.2171.500000110T156 N157 A217T156-G215 WeakPolarHBondContact OG1-CA 3.27Å; N157-G215 WeakPolarHBondContact CB-O 3.46Å; N157-G215 PolarHBondContact ND2-O 3.08Å; N157-G215 VanDerWaalsContact ND2-O 3.15Å; G215-A217 VanDerWaalsContact C-N 3.33Å; G215-A217 PolarHBondContact N-O 3.23Å
216V93.2Very high97.5Very high66 Ų6614.4 Ų14.440%0.48%0.08SC..SBendtrans-61.5-45.8167.1175.20000109.9D83 Y84D83-V216 HydrophobicContact CB-CB 4.07Å; D83-V216 HydrophobicContact CB-CG1 3.68Å; Y84-V216 HydrophobicContact CD2-CG1 3.96Å; Y84-V216 WeakPolarHBondContact CD2-O 3.49Å; Y84-V216 WeakPolarHBondContact CE2-O 3.41Å
217A94.7Very high97.5Very high14 Ų1411.5 Ų11.512%0.1167%0.069CC..SBendtrans-133.1-144.2167.400000109.2D83 A214 G215 W239D83-A217 WeakPolarHBondContact O-CB 3.38Å; A214-A217 CarbonylContact C-O 3.59Å; A214-A217 WeakPolarHBondContact CA-O 3.44Å; A214-A217 WeakPolarHBondContact CB-O 3.42Å; G215-A217 VanDerWaalsContact C-N 3.33Å; G215-A217 PolarHBondContact N-O 3.23Å; A217-W239 HydrophobicContact CB-CD2 4.24Å; A217-W239 HydrophobicContact CB-CE3 3.64Å; A217-W239 HydrophobicContact CB-CZ3 3.88Å
218A96.4Very high97.5Very high25 Ų2511.4 Ų11.421%0.2077%0.068CC..SBendtrans-59.1154.5172.600000111.4W239 E241 Y244A218-W239 HydrophobicContact CB-CB 4.19Å; A218-E241 HydrophobicContact CB-CG 3.7Å; A218-Y244 HydrophobicContact CB-CE2 4.27Å
219S97.3Very high97.5Very high19 Ų1915.2 Ų15.213%0.1338%0.083CC..  trans-110.9125.2-175.2-169.50000111.5R221 L222 Y244S219-R221 PolarHBondContact O-N 2.78Å; S219-R221 PolarHBondContact OG-N 3.15Å; S219-L222 PolarHBondContact O-N 2.71Å; S219-L222 VanDerWaalsContact O-N 3.07Å; S219-Y244 PolarHBondContact O-OH 3.09Å
220F97.6Very high97.5Very high34 Ų3415.2 Ų15.215%0.1498%0.083CC..THydrogen-bonded Turntrans-54-20.1171.5-59.1-22.9000113.5A106 W107 S108 L222 R223 H224A106-F220 HydrophobicContact CB-CE1 3.56Å; A106-F220 HydrophobicContact CB-CZ 3.92Å; W107-F220 AromaticContact CE2-CZ 3.87Å; W107-F220 AromaticContact CZ2-CZ 3.91Å; W107-F220 HydrophobicContact CZ2-CZ 3.91Å; W107-F220 AromaticContact NE1-CE2 3.82Å; W107-F220 AromaticContact NE1-CZ 3.79Å; S108-F220 VanDerWaalsContact CB-CE2 3.46Å; S108-F220 WeakPolarHBondContact OG-CD1 3.47Å; S108-F220 VanDerWaalsContact OG-CD2 3.24Å; S108-F220 WeakPolarHBondContact OG-CD2 3.34Å; S108-F220 WeakPolarHBondContact OG-CE1 3.32Å; S108-F220 WeakPolarHBondContact OG-CE2 3.05Å; S108-F220 WeakPolarHBondContact OG-CG 3.48Å; S108-F220 VanDerWaalsContact OG-CZ 3.3Å; S108-F220 WeakPolarHBondContact OG-CZ 3.31Å; F220-L222 PolarHBondContact O-N 3.04Å; F220-R223 WeakPolarHBondContact O-CG 3.41Å; F220-H224 PolarHBondContact O-CE1 3.49Å; F220-H224 PolarHBondContact O-ND1 2.8Å
221R98.1Very high97.5Very high37 Ų3715.2 Ų15.214%0.148%0.083CC..Hα-helixtrans-52.4-40175173.4177.4-75.189.45.8112.1R152 S219 R223 H224 L225R152-R221 PolarHBondContact O-NH2 3.18Å; S219-R221 PolarHBondContact O-N 2.78Å; S219-R221 PolarHBondContact OG-N 3.15Å; R221-R223 PolarHBondContact O-N 3.23Å; R221-H224 WeakPolarHBondContact O-CB 3.37Å; R221-H224 PolarHBondContact O-N 2.8Å; R221-H224 VanDerWaalsContact O-N 3.09Å; R221-L225 HydrophobicContact CG-CD1 3.91Å; R221-L225 HydrophobicContact CG-CD2 3.7Å; R221-L225 HydrophobicContact CG-CG 3.77Å; R221-L225 WeakPolarHBondContact O-CG 3.48Å; R221-L225 PolarHBondContact O-N 3.16Å
222L98.5Very high97.5Very high0 Ų015.1 Ų15.10%08%0.082CC..Hα-helixtrans-53.5-55.8-166.4-177.458.8000112.9N212 S219 F220 H224 L225 F226 V232 Y244 L247N212-L222 HydrophobicContact CB-CB 4.45Å; N212-L222 HydrophobicContact CB-CD1 3.64Å; S219-L222 PolarHBondContact O-N 2.71Å; S219-L222 VanDerWaalsContact O-N 3.07Å; F220-L222 PolarHBondContact O-N 3.04Å; L222-H224 PolarHBondContact O-N 3.02Å; L222-L225 PolarHBondContact O-N 2.97Å; L222-L225 VanDerWaalsContact O-N 3.11Å; L222-F226 HydrophobicContact CD1-CD2 4.38Å; L222-F226 HydrophobicContact CD1-CE2 3.56Å; L222-F226 HydrophobicContact CD1-CZ 4.12Å; L222-F226 HydrophobicContact CD2-CE2 4.45Å; L222-F226 HydrophobicContact CG-CD2 4.46Å; L222-F226 HydrophobicContact CG-CE2 3.78Å; L222-F226 WeakPolarHBondContact O-CD2 3.39Å; L222-V232 HydrophobicContact CD1-CG1 3.78Å; L222-Y244 HydrophobicContact CB-CE1 4.49Å; L222-Y244 HydrophobicContact CD2-CD1 3.99Å; L222-Y244 HydrophobicContact CD2-CD2 4.09Å; L222-Y244 HydrophobicContact CD2-CE1 3.52Å; L222-Y244 HydrophobicContact CD2-CE2 3.61Å; L222-Y244 HydrophobicContact CD2-CG 4.28Å; L222-L247 HydrophobicContact CD2-CD1 4.04Å
223R98.1Very high97.5Very high0 Ų015.1 Ų15.10%08%0.082CC..Hα-helixtrans-55.5-34.9-179.857.8-178.6-173.1-983.9113.9S108 W126 F220 R221 E241 Y243 L292S108-R223 PolarHBondContact O-NH2 3.2Å; S108-R223 PolarHBondContact OG-NH2 3.27Å; W126-R223 HydrophobicContact CH2-CB 3.98Å; W126-R223 HydrophobicContact CH2-CG 4.17Å; W126-R223 HydrophobicContact CZ2-CB 4.33Å; W126-R223 HydrophobicContact CZ3-CB 4.45Å; W126-R223 HydrophobicContact CZ3-CG 4.14Å; F220-R223 WeakPolarHBondContact O-CG 3.41Å; R221-R223 PolarHBondContact O-N 3.23Å; R223-E241 IonicContact NH1-OE2 2.69Å; R223-E241 PolarHBondContact NH1-OE2 3.26Å; R223-Y243 HydrophobicContact CB-CE2 4.31Å; R223-Y243 WeakPolarHBondContact CB-OH 3.45Å; R223-Y243 PolarHBondContact N-OH 3.35Å; R223-L292 HydrophobicContact CB-CD2 3.85Å
224H98.7Very high97.6Very high2 Ų215.5 Ų15.51%0.0098%0.083CC..Hα-helixtrans-71.7-34.2-178.7-55.691.3000112W126 L129 L133 F201 F220 R221 L222 F226 L227W126-H224 AromaticContact CE3-NE2 3.99Å; W126-H224 AromaticContact CZ3-CD2 3.71Å; L129-H224 WeakPolarHBondContact CD1-NE2 3.38Å; L133-H224 HydrophobicContact CD1-CB 3.95Å; F201-H224 HydrophobicContact CB-CB 4.48Å; F201-H224 HydrophobicContact CD1-CB 3.71Å; F201-H224 AromaticContact CD1-CG 3.96Å; F201-H224 HydrophobicContact CD2-CB 4.46Å; F201-H224 AromaticContact CD2-CD2 3.75Å; F201-H224 HydrophobicContact CE1-CB 3.95Å; F201-H224 AromaticContact CE1-CG 3.85Å; F201-H224 AromaticContact CE1-ND1 3.89Å; F201-H224 AromaticContact CE2-CD2 3.74Å; F201-H224 AromaticContact CE2-CE1 3.93Å; F201-H224 AromaticContact CE2-CG 3.93Å; F201-H224 AromaticContact CE2-NE2 3.77Å; F201-H224 HydrophobicContact CG-CB 3.99Å; F201-H224 HydrophobicContact CZ-CB 4.43Å; F201-H224 AromaticContact CZ-CE1 3.84Å; F201-H224 AromaticContact CZ-CG 3.83Å; F201-H224 AromaticContact CZ-ND1 3.65Å; F220-H224 PolarHBondContact O-CE1 3.49Å; F220-H224 PolarHBondContact O-ND1 2.8Å; R221-H224 WeakPolarHBondContact O-CB 3.37Å; R221-H224 PolarHBondContact O-N 2.8Å; R221-H224 VanDerWaalsContact O-N 3.09Å; L222-H224 PolarHBondContact O-N 3.02Å; H224-F226 VanDerWaalsContact C-N 3.35Å; H224-F226 PolarHBondContact O-N 2.84Å; H224-L227 PolarHBondContact O-N 2.73Å
225L98.8Very high97.7Very high2 Ų215.1 Ų15.11%0.018%0.079CC..Hα-helixtrans-64.3-39.9-177.3-56.4-175.5000112.1L210 N212 R221 L222 L227 C228 V232L210-L225 HydrophobicContact CB-CB 4.24Å; L210-L225 HydrophobicContact CB-CD1 4.03Å; L210-L225 HydrophobicContact CB-CD2 4.21Å; L210-L225 HydrophobicContact CB-CG 4.38Å; L210-L225 HydrophobicContact CD1-CB 4.07Å; L210-L225 HydrophobicContact CD1-CD2 4.07Å; N212-L225 HydrophobicContact CB-CD1 3.87Å; R221-L225 HydrophobicContact CG-CD1 3.91Å; R221-L225 HydrophobicContact CG-CD2 3.7Å; R221-L225 HydrophobicContact CG-CG 3.77Å; R221-L225 WeakPolarHBondContact O-CG 3.48Å; R221-L225 PolarHBondContact O-N 3.16Å; L222-L225 PolarHBondContact O-N 2.97Å; L222-L225 VanDerWaalsContact O-N 3.11Å; L225-L227 VanDerWaalsContact C-N 3.26Å; L225-L227 PolarHBondContact O-N 3.23Å; L225-C228 WeakPolarHBondContact O-CB 3.32Å; L225-C228 PolarHBondContact O-N 3.46Å; L225-C228 VanDerWaalsContact O-N 3.17Å; L225-V232 HydrophobicContact CB-CG2 3.74Å; L225-V232 HydrophobicContact CD1-CG1 4.3Å
226F98.8Very high97.7Very high1 Ų115.5 Ų15.50%0.0048%0.084CC..Hα-helixtrans-60.6-37179.7-73.5-68.8000112.3L222 H224 C228 R229 V232 L247 H252 Y253 Y285 I288L222-F226 HydrophobicContact CD1-CD2 4.38Å; L222-F226 HydrophobicContact CD1-CE2 3.56Å; L222-F226 HydrophobicContact CD1-CZ 4.12Å; L222-F226 HydrophobicContact CD2-CE2 4.45Å; L222-F226 HydrophobicContact CG-CD2 4.46Å; L222-F226 HydrophobicContact CG-CE2 3.78Å; L222-F226 WeakPolarHBondContact O-CD2 3.39Å; H224-F226 VanDerWaalsContact C-N 3.35Å; H224-F226 PolarHBondContact O-N 2.84Å; F226-C228 PolarHBondContact O-N 3.47Å; F226-R229 PolarHBondContact O-N 2.73Å; F226-V232 HydrophobicContact CD1-CB 4.17Å; F226-V232 HydrophobicContact CD1-CG2 3.52Å; F226-V232 HydrophobicContact CD2-CG2 4.36Å; F226-V232 HydrophobicContact CE1-CB 3.69Å; F226-V232 HydrophobicContact CE1-CG1 4.25Å; F226-V232 HydrophobicContact CE1-CG2 3.59Å; F226-V232 HydrophobicContact CE2-CG1 4.46Å; F226-V232 HydrophobicContact CE2-CG2 4.44Å; F226-V232 HydrophobicContact CG-CG2 3.94Å; F226-V232 HydrophobicContact CZ-CB 3.99Å; F226-V232 HydrophobicContact CZ-CG1 4.02Å; F226-V232 HydrophobicContact CZ-CG2 4.08Å; F226-L247 HydrophobicContact CE1-CD2 4.43Å; F226-L247 HydrophobicContact CE2-CD1 3.68Å; F226-L247 HydrophobicContact CE2-CD2 3.99Å; F226-L247 HydrophobicContact CZ-CD1 4.07Å; F226-L247 HydrophobicContact CZ-CD2 3.86Å; F226-H252 WeakPolarHBondContact CE1-O 2.98Å; F226-Y253 HydrophobicContact CZ-CD1 4.3Å; F226-Y253 HydrophobicContact CZ-CG 4.47Å; F226-Y285 WeakPolarHBondContact O-CB 3.41Å; F226-Y285 WeakPolarHBondContact O-CD2 3.39Å; F226-I288 HydrophobicContact CB-CB 4.07Å; F226-I288 HydrophobicContact CB-CG1 3.62Å; F226-I288 HydrophobicContact CD2-CD1 4.13Å; F226-I288 HydrophobicContact CD2-CG1 3.6Å; F226-I288 HydrophobicContact CE2-CG1 4.41Å; F226-I288 HydrophobicContact CG-CG1 3.7Å
227L98.8Very high97.7Very high0 Ų018 Ų180%010%0.095CC..THydrogen-bonded Turntrans-72.1-9.5-179-65-169.4000114.2W126 R130 L133 A137 H224 L225 R229 Y285 I288 W289W126-L227 HydrophobicContact CH2-CD1 3.24Å; W126-L227 HydrophobicContact CH2-CG 3.92Å; W126-L227 HydrophobicContact CZ2-CD1 3.88Å; W126-L227 HydrophobicContact CZ3-CD1 3.83Å; R130-L227 HydrophobicContact CB-CD1 4.03Å; R130-L227 HydrophobicContact CG-CD1 3.69Å; L133-L227 HydrophobicContact CB-CB 3.69Å; L133-L227 HydrophobicContact CB-CD1 4.47Å; L133-L227 HydrophobicContact CD1-CB 4.11Å; L133-L227 HydrophobicContact CD1-CD1 4.41Å; A137-L227 WeakPolarHBondContact CB-O 3.36Å; H224-L227 PolarHBondContact O-N 2.73Å; L225-L227 VanDerWaalsContact C-N 3.26Å; L225-L227 PolarHBondContact O-N 3.23Å; L227-R229 PolarHBondContact O-N 3.17Å; L227-Y285 HydrophobicContact CD2-CD2 4.29Å; L227-Y285 HydrophobicContact CD2-CE2 4.23Å; L227-Y285 WeakPolarHBondContact O-CE2 3.48Å; L227-I288 HydrophobicContact CD2-CB 4.28Å; L227-I288 HydrophobicContact CD2-CG2 3.8Å; L227-I288 HydrophobicContact CG-CG2 4Å; L227-W289 HydrophobicContact CD2-CB 4.48Å; L227-W289 HydrophobicContact CD2-CE3 4.09Å
228C98.8Very high97.6Very high1 Ų118.4 Ų18.41%0.00710%0.095CC..THydrogen-bonded Turntrans-73.9-7.2167-78.40000113.8K145 C205 L210 L225 F226 S230K145-C228 WeakPolarHBondContact CE-O 3.5Å; K145-C228 PolarHBondContact NZ-O 2.92Å; C205-C228 WeakPolarHBondContact CA-SG 3.34Å; C205-C228 HydrophobicContact CB-CB 3.62Å; C205-C228 WeakPolarHBondContact CB-SG 3.43Å; C205-C228 PolarHBondContact N-SG 2.77Å; C205-C228 WeakPolarHBondContact SG-CA 3.34Å; C205-C228 WeakPolarHBondContact SG-CB 2.85Å; C205-C228 CovalentContact SG-SG 2.05Å; C205-C228 PolarHBondContact SG-SG 3.21Å; L210-C228 HydrophobicContact CD1-CB 3.95Å; L225-C228 WeakPolarHBondContact O-CB 3.32Å; L225-C228 PolarHBondContact O-N 3.46Å; L225-C228 VanDerWaalsContact O-N 3.17Å; F226-C228 PolarHBondContact O-N 3.47Å; C228-S230 PolarHBondContact O-N 3.03Å
229R98.6Very high97.6Very high94 Ų9418.3 Ų18.336%0.3559%0.089SC..THydrogen-bonded Turntrans52.438.6-171.4-157.7179-91.9-127.59.4111.5A137 K145 F226 L227 D282 Y285A137-R229 HydrophobicContact CB-CB 4.16Å; K145-R229 VanDerWaalsContact CE-O 3.31Å; K145-R229 WeakPolarHBondContact CE-O 3.43Å; F226-R229 PolarHBondContact O-N 2.73Å; L227-R229 PolarHBondContact O-N 3.17Å; R229-D282 WeakPolarHBondContact CD-OD1 3.43Å; R229-D282 WeakPolarHBondContact CG-OD1 3.26Å; R229-D282 IonicContact CZ-OD1 2.77Å; R229-D282 IonicContact NE-OD1 3.44Å; R229-D282 IonicContact NH1-OD1 2.69Å; R229-D282 PolarHBondContact NH1-OD1 2.9Å; R229-Y285 HydrophobicContact CB-CD2 3.73Å; R229-Y285 HydrophobicContact CB-CE2 4.4Å; R229-Y285 HydrophobicContact CB-CG 4.17Å; R229-Y285 HydrophobicContact CG-CD2 4.19Å; R229-Y285 HydrophobicContact CG-CG 4.12Å
230S98.9Very high97.6Very high0 Ų019.7 Ų19.70%09%0.094CC..  trans-106.2157.9173.9-64.60000108.8F207 C228 V232F207-S230 VanDerWaalsContact O-CB 3.31Å; F207-S230 WeakPolarHBondContact O-CB 3.29Å; F207-S230 PolarHBondContact O-OG 3.16Å; C228-S230 PolarHBondContact O-N 3.03Å; S230-V232 PolarHBondContact O-N 3.1Å
231L98.9Very high97.5Very high0 Ų019 Ų190%09%0.091CC..EExtended strand (participates in β ladder)trans-72.2120.9174.4-17565.6000109.8W142 K208 Y209 L210 F233 I254 A270 V277 I280 A281W142-L231 HydrophobicContact CH2-CB 4.18Å; W142-L231 HydrophobicContact CZ3-CB 4.48Å; K208-L231 WeakPolarHBondContact O-CA 3.5Å; K208-L231 WeakPolarHBondContact O-CB 3.4Å; K208-L231 PolarHBondContact O-N 3.44Å; Y209-L231 WeakPolarHBondContact CA-O 3.5Å; Y209-L231 HydrophobicContact CD1-CB 4.24Å; Y209-L231 HydrophobicContact CD1-CD2 4.16Å; Y209-L231 HydrophobicContact CE1-CD2 4.48Å; L210-L231 PolarHBondContact N-O 2.59Å; L231-F233 HydrophobicContact CB-CE2 4.47Å; L231-F233 HydrophobicContact CD2-CD2 4.46Å; L231-F233 HydrophobicContact CD2-CE2 3.57Å; L231-F233 HydrophobicContact CD2-CZ 3.8Å; L231-F233 HydrophobicContact CG-CD2 4.41Å; L231-F233 HydrophobicContact CG-CE2 3.95Å; L231-I254 HydrophobicContact CD1-CD1 4.23Å; L231-I254 HydrophobicContact CD1-CG1 3.82Å; L231-I254 HydrophobicContact CD2-CD1 4.42Å; L231-I254 HydrophobicContact CD2-CG1 3.74Å; L231-I254 HydrophobicContact CG-CG1 3.88Å; L231-A270 HydrophobicContact CD2-CB 4.05Å; L231-V277 HydrophobicContact CD1-CB 4.28Å; L231-V277 HydrophobicContact CD2-CB 3.56Å; L231-V277 HydrophobicContact CD2-CG1 3.95Å; L231-V277 HydrophobicContact CD2-CG2 4.09Å; L231-V277 HydrophobicContact CG-CB 4.46Å; L231-I280 HydrophobicContact CD1-CB 3.74Å; L231-I280 HydrophobicContact CD1-CG2 3.56Å; L231-A281 HydrophobicContact CB-CB 4.3Å
232V98.9Very high97.4Very high0 Ų017.3 Ų17.30%09%0.085CC..EExtended strand (participates in β ladder)trans-88.1129.7176.4179.70000109.8L210 L222 L225 F226 S230 Y253 I254L210-V232 CarbonylContact O-C 3.56Å; L210-V232 WeakPolarHBondContact O-CA 3.14Å; L222-V232 HydrophobicContact CD1-CG1 3.78Å; L225-V232 HydrophobicContact CB-CG2 3.74Å; L225-V232 HydrophobicContact CD1-CG1 4.3Å; F226-V232 HydrophobicContact CD1-CB 4.17Å; F226-V232 HydrophobicContact CD1-CG2 3.52Å; F226-V232 HydrophobicContact CD2-CG2 4.36Å; F226-V232 HydrophobicContact CE1-CB 3.69Å; F226-V232 HydrophobicContact CE1-CG1 4.25Å; F226-V232 HydrophobicContact CE1-CG2 3.59Å; F226-V232 HydrophobicContact CE2-CG1 4.46Å; F226-V232 HydrophobicContact CE2-CG2 4.44Å; F226-V232 HydrophobicContact CG-CG2 3.94Å; F226-V232 HydrophobicContact CZ-CB 3.99Å; F226-V232 HydrophobicContact CZ-CG1 4.02Å; F226-V232 HydrophobicContact CZ-CG2 4.08Å; S230-V232 PolarHBondContact O-N 3.1Å; V232-Y253 WeakPolarHBondContact O-CB 3.27Å; V232-I254 PolarHBondContact O-N 2.94Å
233F98.8Very high97.3Very high0 Ų017.4 Ų17.40%09%0.085CC..EExtended strand (participates in β ladder)trans-104.1113.7167-73.1-102.4000107.9Y209 L210 F211 N212 L231 I254 V256 L266 L267 A270Y209-F233 AromaticContact CD1-CE2 3.93Å; Y209-F233 HydrophobicContact CD1-CE2 3.93Å; Y209-F233 AromaticContact CG-CE2 3.9Å; Y209-F233 HydrophobicContact CG-CE2 3.9Å; L210-F233 PolarHBondContact O-N 3.13Å; F211-F233 CarbonylContact C-O 3Å; F211-F233 WeakPolarHBondContact CA-O 3.49Å; F211-F233 HydrophobicContact CD1-CB 3.55Å; F211-F233 HydrophobicContact CD1-CG 4.37Å; F211-F233 HydrophobicContact CE1-CB 3.53Å; F211-F233 HydrophobicContact CE1-CD1 4.15Å; F211-F233 AromaticContact CE1-CG 3.91Å; F211-F233 HydrophobicContact CE1-CG 3.91Å; F211-F233 HydrophobicContact CG-CB 4.13Å; F211-F233 HydrophobicContact CZ-CB 4.08Å; F211-F233 HydrophobicContact CZ-CD1 4.24Å; F211-F233 HydrophobicContact CZ-CD2 4.42Å; F211-F233 HydrophobicContact CZ-CG 4Å; N212-F233 PolarHBondContact N-O 3.42Å; L231-F233 HydrophobicContact CB-CE2 4.47Å; L231-F233 HydrophobicContact CD2-CD2 4.46Å; L231-F233 HydrophobicContact CD2-CE2 3.57Å; L231-F233 HydrophobicContact CD2-CZ 3.8Å; L231-F233 HydrophobicContact CG-CD2 4.41Å; L231-F233 HydrophobicContact CG-CE2 3.95Å; F233-I254 CarbonylContact C-O 3.41Å; F233-I254 WeakPolarHBondContact CA-O 3.36Å; F233-I254 HydrophobicContact CD1-CB 3.85Å; F233-I254 HydrophobicContact CD1-CG1 4.49Å; F233-I254 HydrophobicContact CD1-CG2 3.86Å; F233-I254 HydrophobicContact CE1-CB 4Å; F233-I254 HydrophobicContact CE1-CG1 4.24Å; F233-I254 HydrophobicContact CE1-CG2 3.83Å; F233-I254 HydrophobicContact CG-CB 4.3Å; F233-I254 HydrophobicContact CZ-CG1 4.34Å; F233-V256 HydrophobicContact CB-CG2 3.82Å; F233-V256 HydrophobicContact CD1-CG2 3.7Å; F233-V256 HydrophobicContact CG-CG2 4.26Å; F233-L266 HydrophobicContact CE1-CB 3.89Å; F233-L267 HydrophobicContact CE1-CD2 4.28Å; F233-L267 HydrophobicContact CE2-CD2 4.15Å; F233-L267 HydrophobicContact CZ-CD2 3.85Å; F233-A270 HydrophobicContact CZ-CB 4.02Å
234H98.5Very high97.1Very high11 Ų1117.9 Ų17.95%0.0519%0.087CC..EExtended strand (participates in β ladder)trans-103.7113.9-179-170.91.9000110N212 G236 Y244 Y253 I254 V256N212-H234 PolarHBondContact ND2-CE1 3.45Å; N212-H234 PolarHBondContact ND2-ND1 3.22Å; N212-H234 VanDerWaalsContact ND2-ND1 3.19Å; H234-G236 PolarHBondContact CE1-O 3.5Å; H234-Y244 AromaticContact NE2-CD2 3.94Å; H234-Y244 AromaticContact NE2-CE2 3.73Å; H234-Y253 HydrophobicContact CB-CD2 3.51Å; H234-Y253 HydrophobicContact CB-CE2 3.65Å; H234-Y253 HydrophobicContact CB-CG 4.32Å; H234-I254 PolarHBondContact N-O 2.66Å; H234-V256 PolarHBondContact O-N 3.07Å
235I97.6Very high96.8Very high5 Ų519.2 Ų19.23%0.02610%0.097CC..EExtended strand (participates in β ladder)trans-82.1120.9178.6-60.1160.1000109.5L163 F211 N212 V256 L260L163-I235 HydrophobicContact CD2-CD1 4.42Å; F211-I235 HydrophobicContact CD1-CD1 3.93Å; F211-I235 HydrophobicContact CD1-CG1 4.24Å; N212-I235 WeakPolarHBondContact O-CB 2.96Å; N212-I235 PolarHBondContact O-N 3.22Å; I235-V256 HydrophobicContact CB-CB 4.47Å; I235-V256 HydrophobicContact CG1-CB 3.9Å; I235-V256 HydrophobicContact CG1-CG1 3.97Å; I235-V256 HydrophobicContact CG1-CG2 4.5Å; I235-L260 HydrophobicContact CD1-CD1 4.26Å; I235-L260 HydrophobicContact CD1-CD2 3.88Å; I235-L260 HydrophobicContact CD1-CG 4.19Å; I235-L260 HydrophobicContact CG1-CG 4.35Å; I235-L260 HydrophobicContact CG2-CD1 3.74Å; I235-L260 HydrophobicContact CG2-CG 4.34Å
236G94.3Very high96.6Very high15 Ų1521.4 Ų21.416%0.15511%0.107CC..  trans71.6168.7179.600000114.2H234 V256 D258H234-G236 PolarHBondContact CE1-O 3.5Å; G236-V256 PolarHBondContact N-O 3.16Å; G236-D258 WeakPolarHBondContact CA-OD1 3.34Å
237D92.8Very high96.5Very high117 Ų11721.6 Ų21.663%0.62611%0.108SC*.SBendtrans-132.94.6177.160.8-10.2000113.3W239 Q240D237-W239 VanDerWaalsContact C-N 3.35Å; D237-W239 PolarHBondContact O-N 2.77Å; D237-Q240 PolarHBondContact O-NE2 3.45Å
238D93Very high96.4Very high24 Ų2426.6 Ų26.613%0.12813%0.13CC..SBendtrans-59.6-39-179.1-68.5-30.1000114M95 T96 K159M95-D238 CarbonylContact C-O 3.54Å; M95-D238 WeakPolarHBondContact CA-O 3.48Å; M95-D238 HydrophobicContact CB-CB 3.75Å; M95-D238 WeakPolarHBondContact CB-O 3.31Å; T96-D238 PolarHBondContact N-O 3.34Å; T96-D238 PolarHBondContact OG1-O 3.13Å; K159-D238 IonicContact NZ-OD2 3.34Å; K159-D238 PolarHBondContact NZ-OD2 2.79Å
239W96.2Very high96.4Very high22 Ų2229.5 Ų29.58%0.08315%0.149CC..  trans-113.4122.9-166.9-69.397.4000111.8Y84 P85 T96 Y99 A214 A217 A218 D237 Y244Y84-W239 AromaticContact CD2-CH2 3.94Å; Y84-W239 HydrophobicContact CD2-CH2 3.94Å; Y84-W239 HydrophobicContact CE1-CH2 4.48Å; Y84-W239 AromaticContact CE2-CH2 3.28Å; Y84-W239 HydrophobicContact CE2-CH2 3.28Å; Y84-W239 AromaticContact CE2-CZ2 3.62Å; Y84-W239 HydrophobicContact CE2-CZ2 3.62Å; Y84-W239 HydrophobicContact CE2-CZ3 4.24Å; Y84-W239 AromaticContact CZ-CH2 3.58Å; Y84-W239 AromaticContact CZ-CZ2 4Å; P85-W239 HydrophobicContact CG-CH2 4.33Å; P85-W239 HydrophobicContact CG-CZ3 3.84Å; T96-W239 WeakPolarHBondContact OG1-CA 3.46Å; Y99-W239 HydrophobicContact CE2-CH2 4.31Å; A214-W239 HydrophobicContact CB-CB 4Å; A214-W239 HydrophobicContact CB-CG 3.94Å; A217-W239 HydrophobicContact CB-CD2 4.24Å; A217-W239 HydrophobicContact CB-CE3 3.64Å; A217-W239 HydrophobicContact CB-CZ3 3.88Å; A218-W239 HydrophobicContact CB-CB 4.19Å; D237-W239 VanDerWaalsContact C-N 3.35Å; D237-W239 PolarHBondContact O-N 2.77Å; W239-Y244 WeakPolarHBondContact O-CD2 3.19Å; W239-Y244 VanDerWaalsContact O-CE2 3.31Å; W239-Y244 WeakPolarHBondContact O-CE2 3.09Å
240Q96.2Very high96.4Very high49 Ų4930.7 Ų30.723%0.22915%0.153CC..  trans-116.1146.4-170.6-56.5-70.7-51.600112.1T96 M103 D237T96-Q240 HydrophobicContact CG2-CB 4.12Å; T96-Q240 HydrophobicContact CG2-CG 4.49Å; T96-Q240 PolarHBondContact OG1-N 3.42Å; M103-Q240 HydrophobicContact CE-CB 4.37Å; M103-Q240 HydrophobicContact SD-CB 4.03Å; D237-Q240 PolarHBondContact O-NE2 3.45Å
241E96.7Very high96.4Very high18 Ų1833.6 Ų33.68%0.08417%0.171CC..  trans-107166.3152.4-58.4172.8-107.500108.4A218 R223 Y243 Y244A218-E241 HydrophobicContact CB-CG 3.7Å; R223-E241 IonicContact NH1-OE2 2.69Å; R223-E241 PolarHBondContact NH1-OE2 3.26Å; E241-Y243 HydrophobicContact CB-CD1 3.96Å; E241-Y243 HydrophobicContact CB-CE1 3.67Å; E241-Y243 HydrophobicContact CG-CE1 4.25Å; E241-Y243 PolarHBondContact O-N 2.92Å; E241-Y243 PolarHBondContact OE1-OH 3.19Å; E241-Y243 VanDerWaalsContact OE1-OH 3.06Å; E241-Y244 HydrophobicContact CB-CD1 3.67Å; E241-Y244 HydrophobicContact CB-CE1 3.45Å; E241-Y244 VanDerWaalsContact CB-CE1 3.45Å; E241-Y244 HydrophobicContact CG-CD1 4.29Å; E241-Y244 HydrophobicContact CG-CE1 3.56Å; E241-Y244 WeakPolarHBondContact O-CB 3.31Å; E241-Y244 PolarHBondContact O-N 3.21Å; E241-Y244 WeakPolarHBondContact OE1-CE1 3.32Å; E241-Y244 PolarHBondContact OE1-OH 2.76Å
242F95.5Very high96.4Very high3 Ų334.8 Ų34.81%0.01318%0.176CC..THydrogen-bonded Turntrans-54-30.1-172.681.8-82.9000114.8V13 M103 P105 F109 L292 V297 Y300V13-F242 WeakPolarHBondContact CG2-O 3.5Å; M103-F242 HydrophobicContact CB-CB 4.31Å; P105-F242 HydrophobicContact CB-CD1 4.07Å; P105-F242 HydrophobicContact CB-CE1 3.65Å; P105-F242 HydrophobicContact CB-CZ 4.15Å; P105-F242 HydrophobicContact CG-CD1 4.1Å; P105-F242 HydrophobicContact CG-CE1 3.89Å; P105-F242 HydrophobicContact CG-CE2 4.43Å; P105-F242 HydrophobicContact CG-CG 4.45Å; P105-F242 HydrophobicContact CG-CZ 4.06Å; F109-F242 AromaticContact CE2-CE1 3.69Å; F109-F242 HydrophobicContact CE2-CE1 3.69Å; F109-F242 AromaticContact CZ-CE1 3.87Å; F109-F242 HydrophobicContact CZ-CE1 3.87Å; F109-F242 HydrophobicContact CZ-CZ 4.43Å; F242-L292 HydrophobicContact CE1-CD1 4.17Å; F242-L292 HydrophobicContact CE2-CD1 4.31Å; F242-L292 HydrophobicContact CZ-CD1 3.56Å; F242-V297 HydrophobicContact CZ-CG2 4.37Å; F242-Y300 HydrophobicContact CB-CE1 4.16Å; F242-Y300 HydrophobicContact CB-CE2 4.11Å; F242-Y300 HydrophobicContact CD2-CD1 4.21Å; F242-Y300 AromaticContact CD2-CD2 3.46Å; F242-Y300 HydrophobicContact CD2-CD2 3.46Å; F242-Y300 VanDerWaalsContact CD2-CD2 3.46Å; F242-Y300 HydrophobicContact CD2-CE1 4.23Å; F242-Y300 AromaticContact CD2-CE2 3.49Å; F242-Y300 HydrophobicContact CD2-CE2 3.49Å; F242-Y300 VanDerWaalsContact CD2-CE2 3.49Å; F242-Y300 AromaticContact CD2-CG 3.81Å; F242-Y300 HydrophobicContact CD2-CG 3.81Å; F242-Y300 AromaticContact CD2-CZ 3.88Å; F242-Y300 AromaticContact CE2-CD2 3.84Å; F242-Y300 HydrophobicContact CE2-CD2 3.84Å; F242-Y300 HydrophobicContact CE2-CE2 4.33Å; F242-Y300 AromaticContact CE2-CG 3.97Å; F242-Y300 HydrophobicContact CE2-CG 3.97Å; F242-Y300 HydrophobicContact CG-CD2 4.42Å; F242-Y300 HydrophobicContact CG-CE1 4.32Å; F242-Y300 HydrophobicContact CG-CE2 4.18Å
243Y95.6Very high96.3Very high2 Ų236 Ų361%0.00818%0.181CC..THydrogen-bonded Turntrans-88.1-12-178.266.5-86.7000114.1F109 R223 E241 S245 Q246 L247 I288 L292F109-Y243 HydrophobicContact CZ-CD1 4.49Å; F109-Y243 HydrophobicContact CZ-CE1 4.35Å; R223-Y243 HydrophobicContact CB-CE2 4.31Å; R223-Y243 WeakPolarHBondContact CB-OH 3.45Å; R223-Y243 PolarHBondContact N-OH 3.35Å; E241-Y243 HydrophobicContact CB-CD1 3.96Å; E241-Y243 HydrophobicContact CB-CE1 3.67Å; E241-Y243 HydrophobicContact CG-CE1 4.25Å; E241-Y243 PolarHBondContact O-N 2.92Å; E241-Y243 PolarHBondContact OE1-OH 3.19Å; E241-Y243 VanDerWaalsContact OE1-OH 3.06Å; Y243-S245 VanDerWaalsContact C-N 3.31Å; Y243-S245 PolarHBondContact O-N 2.96Å; Y243-Q246 PolarHBondContact O-N 2.66Å; Y243-L247 HydrophobicContact CD2-CD1 3.91Å; Y243-L247 HydrophobicContact CE2-CD1 3.85Å; Y243-I288 HydrophobicContact CD2-CD1 4.07Å; Y243-I288 HydrophobicContact CE2-CD1 4.02Å; Y243-L292 HydrophobicContact CD1-CD1 3.93Å; Y243-L292 HydrophobicContact CD1-CD2 4.1Å; Y243-L292 HydrophobicContact CD2-CD2 4.01Å; Y243-L292 HydrophobicContact CE1-CD2 4.14Å; Y243-L292 HydrophobicContact CE2-CD2 4.03Å; Y243-L292 HydrophobicContact CG-CD1 3.84Å; Y243-L292 HydrophobicContact CG-CD2 4.04Å
244Y95.6Very high96.3Very high9 Ų936.1 Ų36.14%0.03518%0.181CC..G310 helixtrans-63.8-36.2-171.2-79.632.4000112A218 S219 L222 H234 W239 E241 Q246 L247A218-Y244 HydrophobicContact CB-CE2 4.27Å; S219-Y244 PolarHBondContact O-OH 3.09Å; L222-Y244 HydrophobicContact CB-CE1 4.49Å; L222-Y244 HydrophobicContact CD2-CD1 3.99Å; L222-Y244 HydrophobicContact CD2-CD2 4.09Å; L222-Y244 HydrophobicContact CD2-CE1 3.52Å; L222-Y244 HydrophobicContact CD2-CE2 3.61Å; L222-Y244 HydrophobicContact CD2-CG 4.28Å; H234-Y244 AromaticContact NE2-CD2 3.94Å; H234-Y244 AromaticContact NE2-CE2 3.73Å; W239-Y244 WeakPolarHBondContact O-CD2 3.19Å; W239-Y244 VanDerWaalsContact O-CE2 3.31Å; W239-Y244 WeakPolarHBondContact O-CE2 3.09Å; E241-Y244 HydrophobicContact CB-CD1 3.67Å; E241-Y244 HydrophobicContact CB-CE1 3.45Å; E241-Y244 VanDerWaalsContact CB-CE1 3.45Å; E241-Y244 HydrophobicContact CG-CD1 4.29Å; E241-Y244 HydrophobicContact CG-CE1 3.56Å; E241-Y244 WeakPolarHBondContact O-CB 3.31Å; E241-Y244 PolarHBondContact O-N 3.21Å; E241-Y244 WeakPolarHBondContact OE1-CE1 3.32Å; E241-Y244 PolarHBondContact OE1-OH 2.76Å; Y244-Q246 PolarHBondContact O-N 3.24Å; Y244-L247 WeakPolarHBondContact O-CA 3.42Å; Y244-L247 WeakPolarHBondContact O-CB 3.46Å; Y244-L247 PolarHBondContact O-N 3.4Å
245S92.3Very high96.3Very high31 Ų3137.3 Ų37.322%0.21719%0.19CC..G310 helixtrans-59.3-20.2-177.668.30000114.2V13 Y243 K248V13-S245 WeakPolarHBondContact CG2-OG 3.36Å; Y243-S245 VanDerWaalsContact C-N 3.31Å; Y243-S245 PolarHBondContact O-N 2.96Å; S245-K248 WeakPolarHBondContact O-CE 3.32Å; S245-K248 PolarHBondContact O-NZ 2.75Å
246Q93.5Very high96.4Very high47 Ų4737.3 Ų37.322%0.2219%0.191CC..G310 helixtrans-98-13.6177.1-66.2174.296.800113.2Y243 Y244 K248 H252 F287Y243-Q246 PolarHBondContact O-N 2.66Å; Y244-Q246 PolarHBondContact O-N 3.24Å; Q246-K248 PolarHBondContact O-N 2.92Å; Q246-H252 PolarHBondContact O-CE1 2.87Å; Q246-H252 PolarHBondContact O-ND1 2.78Å; Q246-F287 HydrophobicContact CB-CE1 4.29Å; Q246-F287 HydrophobicContact CB-CE2 3.89Å; Q246-F287 HydrophobicContact CB-CZ 3.35Å; Q246-F287 HydrophobicContact CG-CZ 4.48Å
247L96.1Very high96.5Very high6 Ų640.2 Ų40.23%0.03120%0.203CC..SBendtrans-72.1115.3163.8-69.9169.9000107.8L222 F226 Y243 Y244 H252 Y253 F287 I288L222-L247 HydrophobicContact CD2-CD1 4.04Å; F226-L247 HydrophobicContact CE1-CD2 4.43Å; F226-L247 HydrophobicContact CE2-CD1 3.68Å; F226-L247 HydrophobicContact CE2-CD2 3.99Å; F226-L247 HydrophobicContact CZ-CD1 4.07Å; F226-L247 HydrophobicContact CZ-CD2 3.86Å; Y243-L247 HydrophobicContact CD2-CD1 3.91Å; Y243-L247 HydrophobicContact CE2-CD1 3.85Å; Y244-L247 WeakPolarHBondContact O-CA 3.42Å; Y244-L247 WeakPolarHBondContact O-CB 3.46Å; Y244-L247 PolarHBondContact O-N 3.4Å; L247-H252 HydrophobicContact CD2-CB 3.93Å; L247-Y253 HydrophobicContact CB-CD1 4.09Å; L247-Y253 HydrophobicContact CB-CE1 3.77Å; L247-F287 HydrophobicContact CD2-CD1 3.39Å; L247-F287 HydrophobicContact CD2-CE1 3.81Å; L247-F287 HydrophobicContact CD2-CG 4.19Å; L247-F287 HydrophobicContact CG-CD1 4.13Å; L247-F287 HydrophobicContact CG-CE1 4.02Å; L247-I288 HydrophobicContact CD1-CD1 4.42Å; L247-I288 HydrophobicContact CD2-CD1 4.18Å; L247-I288 HydrophobicContact CD2-CG1 4.49Å
248K97.6Very high96.5Very high105 Ų10537.1 Ų37.146%0.45719%0.186SC..  trans-102.1130.5-176.9-56-54.8-173.6-177.50110.2S245 Q246 V251 H252S245-K248 WeakPolarHBondContact O-CE 3.32Å; S245-K248 PolarHBondContact O-NZ 2.75Å; Q246-K248 PolarHBondContact O-N 2.92Å; K248-V251 HydrophobicContact CB-CB 3.91Å; K248-V251 HydrophobicContact CB-CG2 3.85Å; K248-V251 PolarHBondContact O-N 3.45Å; K248-H252 PolarHBondContact N-ND1 3.05Å; K248-H252 VanDerWaalsContact N-ND1 3.1Å; K248-H252 PolarHBondContact O-N 3.07Å
249P98.3Very high96.6Very high62 Ų6241 Ų4140%0.40321%0.207SC..BIsolated β-bridgetrans-58.9143.917525.2-33.1000110.2V251 Y253 P255P249-V251 PolarHBondContact O-N 3.25Å; P249-Y253 HydrophobicContact CB-CE2 4.2Å; P249-P255 HydrophobicContact CB-CB 4.04Å; P249-P255 HydrophobicContact CB-CG 3.73Å
250W98.6Very high96.5Very high118 Ų11840.3 Ų40.345%0.44721%0.205SC..THydrogen-bonded Turntrans63.9-12.5-175.2-56106.6000116.2Y253 I254 P255 L266 F269W250-Y253 WeakPolarHBondContact CA-O 3.18Å; W250-Y253 PolarHBondContact N-O 2.79Å; W250-I254 HydrophobicContact CE3-CD1 3.56Å; W250-I254 HydrophobicContact CH2-CD1 4.37Å; W250-I254 HydrophobicContact CH2-CG2 3.95Å; W250-I254 HydrophobicContact CZ2-CG2 4.43Å; W250-I254 HydrophobicContact CZ3-CD1 3.47Å; W250-I254 VanDerWaalsContact CZ3-CD1 3.47Å; W250-I254 HydrophobicContact CZ3-CG2 4.1Å; W250-P255 HydrophobicContact CZ2-CG 4.23Å; W250-L266 HydrophobicContact CH2-CD2 3.52Å; W250-L266 HydrophobicContact CZ2-CD2 4.02Å; W250-F269 HydrophobicContact CZ3-CD1 4.39Å; W250-F269 AromaticContact CZ3-CE1 3.85Å; W250-F269 HydrophobicContact CZ3-CE1 3.85Å; W250-F269 HydrophobicContact CZ3-CZ 4.38Å
251V98.6Very high96.5Very high61 Ų6141.8 Ų41.837%0.3722%0.22SC..THydrogen-bonded Turntrans-91.8-53.5170.3-173.60000110.5K248 P249 R283K248-V251 HydrophobicContact CB-CB 3.91Å; K248-V251 HydrophobicContact CB-CG2 3.85Å; K248-V251 PolarHBondContact O-N 3.45Å; P249-V251 PolarHBondContact O-N 3.25Å; V251-R283 WeakPolarHBondContact O-CB 3.39Å; V251-R283 PolarHBondContact O-NE 2.98Å
252H98.7Very high96.6Very high25 Ų2542.4 Ų42.412%0.11622%0.224CC..THydrogen-bonded Turntrans-105.9-28.5-173.9-59.1139.6000113F226 Q246 L247 K248 G284 F287F226-H252 WeakPolarHBondContact CE1-O 2.98Å; Q246-H252 PolarHBondContact O-CE1 2.87Å; Q246-H252 PolarHBondContact O-ND1 2.78Å; L247-H252 HydrophobicContact CD2-CB 3.93Å; K248-H252 PolarHBondContact N-ND1 3.05Å; K248-H252 VanDerWaalsContact N-ND1 3.1Å; K248-H252 PolarHBondContact O-N 3.07Å; H252-G284 WeakPolarHBondContact O-CA 3.3Å; H252-F287 AromaticContact CE1-CD2 3.52Å; H252-F287 AromaticContact CE1-CG 3.87Å; H252-F287 AromaticContact NE2-CD2 3.83Å
253Y98.9Very high96.7Very high27 Ų2742.6 Ų42.611%0.10623%0.225CC..BIsolated β-bridgetrans-153.1168.5-176.966-88.8000111.4F226 V232 H234 L247 P249 W250 P255F226-Y253 HydrophobicContact CZ-CD1 4.3Å; F226-Y253 HydrophobicContact CZ-CG 4.47Å; V232-Y253 WeakPolarHBondContact O-CB 3.27Å; H234-Y253 HydrophobicContact CB-CD2 3.51Å; H234-Y253 HydrophobicContact CB-CE2 3.65Å; H234-Y253 HydrophobicContact CB-CG 4.32Å; L247-Y253 HydrophobicContact CB-CD1 4.09Å; L247-Y253 HydrophobicContact CB-CE1 3.77Å; P249-Y253 HydrophobicContact CB-CE2 4.2Å; W250-Y253 WeakPolarHBondContact CA-O 3.18Å; W250-Y253 PolarHBondContact N-O 2.79Å; Y253-P255 HydrophobicContact CE2-CB 4.18Å
254I98.7Very high96.7Very high1 Ų146.4 Ų46.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-94.1118.6172.4-52.5-60.9000109.5L231 V232 F233 H234 W250 L266 I280L231-I254 HydrophobicContact CD1-CD1 4.23Å; L231-I254 HydrophobicContact CD1-CG1 3.82Å; L231-I254 HydrophobicContact CD2-CD1 4.42Å; L231-I254 HydrophobicContact CD2-CG1 3.74Å; L231-I254 HydrophobicContact CG-CG1 3.88Å; V232-I254 PolarHBondContact O-N 2.94Å; F233-I254 CarbonylContact C-O 3.41Å; F233-I254 WeakPolarHBondContact CA-O 3.36Å; F233-I254 HydrophobicContact CD1-CB 3.85Å; F233-I254 HydrophobicContact CD1-CG1 4.49Å; F233-I254 HydrophobicContact CD1-CG2 3.86Å; F233-I254 HydrophobicContact CE1-CB 4Å; F233-I254 HydrophobicContact CE1-CG1 4.24Å; F233-I254 HydrophobicContact CE1-CG2 3.83Å; F233-I254 HydrophobicContact CG-CB 4.3Å; F233-I254 HydrophobicContact CZ-CG1 4.34Å; H234-I254 PolarHBondContact N-O 2.66Å; W250-I254 HydrophobicContact CE3-CD1 3.56Å; W250-I254 HydrophobicContact CH2-CD1 4.37Å; W250-I254 HydrophobicContact CH2-CG2 3.95Å; W250-I254 HydrophobicContact CZ2-CG2 4.43Å; W250-I254 HydrophobicContact CZ3-CD1 3.47Å; W250-I254 VanDerWaalsContact CZ3-CD1 3.47Å; W250-I254 HydrophobicContact CZ3-CG2 4.1Å; I254-L266 HydrophobicContact CG2-CB 4.41Å; I254-L266 HydrophobicContact CG2-CD1 3.97Å; I254-L266 HydrophobicContact CG2-CD2 3.91Å; I254-L266 HydrophobicContact CG2-CG 4.34Å; I254-I280 HydrophobicContact CD1-CD1 3.62Å
255P98.4Very high96.9Very high37 Ų3752.9 Ų52.924%0.2427%0.274CS..EExtended strand (participates in β ladder)trans-71.9136.1173.731.6-35.4000110.6P249 W250 Y253 L266P249-P255 HydrophobicContact CB-CB 4.04Å; P249-P255 HydrophobicContact CB-CG 3.73Å; W250-P255 HydrophobicContact CZ2-CG 4.23Å; Y253-P255 HydrophobicContact CE2-CB 4.18Å; P255-L266 WeakPolarHBondContact O-CD1 3.31Å
256V98.4Very high97.1Very high5 Ų552 Ų523%0.0327%0.267CS..EExtended strand (participates in β ladder)trans-119138.5175.9-177.60000108.7F211 F233 H234 I235 G236 L260 V263 L266F211-V256 HydrophobicContact CE1-CG2 4.33Å; F233-V256 HydrophobicContact CB-CG2 3.82Å; F233-V256 HydrophobicContact CD1-CG2 3.7Å; F233-V256 HydrophobicContact CG-CG2 4.26Å; H234-V256 PolarHBondContact O-N 3.07Å; I235-V256 HydrophobicContact CB-CB 4.47Å; I235-V256 HydrophobicContact CG1-CB 3.9Å; I235-V256 HydrophobicContact CG1-CG1 3.97Å; I235-V256 HydrophobicContact CG1-CG2 4.5Å; G236-V256 PolarHBondContact N-O 3.16Å; V256-L260 HydrophobicContact CG1-CG 4.18Å; V256-V263 HydrophobicContact CG1-CB 4.28Å; V256-L266 HydrophobicContact CB-CD1 4.46Å; V256-L266 HydrophobicContact CG2-CD1 3.91Å
257N97.1Very high97.4Very high76 Ų7649.8 Ų49.841%0.40626%0.257SS..  trans-60.1149.7178.1-67.6-8.9000110.8D259 L260 S261 N262N257-D259 VanDerWaalsContact CB-OD1 3.26Å; N257-D259 WeakPolarHBondContact CB-OD1 3.39Å; N257-D259 PolarHBondContact O-N 3.05Å; N257-L260 WeakPolarHBondContact O-CA 3.48Å; N257-L260 PolarHBondContact O-N 3.41Å; N257-S261 PolarHBondContact ND2-OG 3.5Å; N257-N262 PolarHBondContact N-OD1 2.96Å; N257-N262 PolarHBondContact OD1-ND2 3.5Å
258D92.6Very high97.4Very high52 Ų5253.6 Ų53.628%0.27827%0.274SS..THydrogen-bonded Turntrans-56.6-32.8179.1-98-26.8000114.6K159 G236 L260K159-D258 IonicContact NZ-OD1 3.18Å; K159-D258 PolarHBondContact NZ-OD1 3.19Å; K159-D258 IonicContact NZ-OD2 3.52Å; K159-D258 PolarHBondContact NZ-OD2 3.18Å; G236-D258 WeakPolarHBondContact CA-OD1 3.34Å; D258-L260 VanDerWaalsContact C-N 3.33Å
259D94.1Very high97.5Very high106 Ų10651.6 Ų51.657%0.56727%0.266SS*.THydrogen-bonded Turntrans-88.6-2.4177.867.4-5.6000113.1N257 S261N257-D259 VanDerWaalsContact CB-OD1 3.26Å; N257-D259 WeakPolarHBondContact CB-OD1 3.39Å; N257-D259 PolarHBondContact O-N 3.05Å; D259-S261 PolarHBondContact O-N 3.08Å; D259-S261 WeakPolarHBondContact OD1-CB 3.15Å; D259-S261 PolarHBondContact OD1-N 3.04Å; D259-S261 PolarHBondContact OD1-OG 3.24Å; D259-S261 WeakPolarHBondContact OD2-CB 3.34Å; D259-S261 PolarHBondContact OD2-OG 2.93Å
260L96Very high97.5Very high7 Ų748.7 Ų48.74%0.03725%0.246CC..  trans58.720.5-173.9-68.280.3000114.5K159 A162 L163 I235 V256 N257 D258 N262 V263K159-L260 WeakPolarHBondContact O-CD1 3.35Å; A162-L260 HydrophobicContact CB-CB 4.06Å; A162-L260 HydrophobicContact CB-CD1 4.14Å; A162-L260 HydrophobicContact CB-CD2 4.28Å; A162-L260 HydrophobicContact CB-CG 4.39Å; L163-L260 HydrophobicContact CB-CD2 3.56Å; L163-L260 HydrophobicContact CD1-CD2 3.99Å; L163-L260 HydrophobicContact CG-CD2 4.3Å; I235-L260 HydrophobicContact CD1-CD1 4.26Å; I235-L260 HydrophobicContact CD1-CD2 3.88Å; I235-L260 HydrophobicContact CD1-CG 4.19Å; I235-L260 HydrophobicContact CG1-CG 4.35Å; I235-L260 HydrophobicContact CG2-CD1 3.74Å; I235-L260 HydrophobicContact CG2-CG 4.34Å; V256-L260 HydrophobicContact CG1-CG 4.18Å; N257-L260 WeakPolarHBondContact O-CA 3.48Å; N257-L260 PolarHBondContact O-N 3.41Å; D258-L260 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 2.86Å; L260-N262 VanDerWaalsContact O-N 3.13Å; L260-V263 HydrophobicContact CB-CB 4.2Å; L260-V263 HydrophobicContact CB-CG1 4.14Å; L260-V263 WeakPolarHBondContact O-CB 3.43Å; L260-V263 WeakPolarHBondContact O-CG1 3.42Å; L260-V263 PolarHBondContact O-N 2.66Å
261S95.9Very high97.4Very high80 Ų8046.9 Ų46.956%0.55924%0.24SC*.THydrogen-bonded Turntrans-54.7-32.8-179.347.90000113.8N257 D259N257-S261 PolarHBondContact ND2-OG 3.5Å; D259-S261 PolarHBondContact O-N 3.08Å; D259-S261 WeakPolarHBondContact OD1-CB 3.15Å; D259-S261 PolarHBondContact OD1-N 3.04Å; D259-S261 PolarHBondContact OD1-OG 3.24Å; D259-S261 WeakPolarHBondContact OD2-CB 3.34Å; D259-S261 PolarHBondContact OD2-OG 2.93Å
262N97.4Very high97.4Very high30 Ų3050.3 Ų50.316%0.1625%0.252CS..THydrogen-bonded Turntrans-96.53.7-178.864-10.6000114.5N257 L260 E264 E265 L266N257-N262 PolarHBondContact N-OD1 2.96Å; N257-N262 PolarHBondContact OD1-ND2 3.5Å; L260-N262 PolarHBondContact O-N 2.86Å; L260-N262 VanDerWaalsContact O-N 3.13Å; N262-E264 PolarHBondContact O-N 2.85Å; N262-E265 PolarHBondContact O-N 2.87Å; N262-L266 HydrophobicContact CB-CD1 4.25Å; N262-L266 HydrophobicContact CB-CG 4.34Å; N262-L266 WeakPolarHBondContact ND2-CD1 3.4Å; N262-L266 WeakPolarHBondContact O-CB 3.13Å; N262-L266 WeakPolarHBondContact O-CG 3.47Å; N262-L266 PolarHBondContact O-N 2.9Å
263V97.5Very high97.4Very high7 Ų752 Ų524%0.04226%0.261CS..Hα-helixtrans-65-38.4-169.371.90000113.9L163 L166 F211 V256 L260 L267L163-V263 HydrophobicContact CD1-CG2 4.41Å; L166-V263 HydrophobicContact CD2-CG1 3.45Å; L166-V263 VanDerWaalsContact CD2-CG1 3.45Å; L166-V263 HydrophobicContact CD2-CG2 4.38Å; F211-V263 HydrophobicContact CE1-CG2 3.55Å; F211-V263 HydrophobicContact CZ-CG2 3.61Å; V256-V263 HydrophobicContact CG1-CB 4.28Å; L260-V263 HydrophobicContact CB-CB 4.2Å; L260-V263 HydrophobicContact CB-CG1 4.14Å; L260-V263 WeakPolarHBondContact O-CB 3.43Å; L260-V263 WeakPolarHBondContact O-CG1 3.42Å; L260-V263 PolarHBondContact O-N 2.66Å; V263-L267 HydrophobicContact CG2-CD1 4.14Å; V263-L267 WeakPolarHBondContact O-CB 3.49Å; V263-L267 VanDerWaalsContact O-CG 3.3Å; V263-L267 WeakPolarHBondContact O-CG 3.47Å; V263-L267 PolarHBondContact O-N 2.84Å
264E97.4Very high97.3Very high82 Ų8252.8 Ų52.838%0.38327%0.268SS..Hα-helixtrans-70-42.5-178.8-66.2-170.3-126.900110.8L166 L173 N262 L267 Q268L166-E264 HydrophobicContact CD1-CG 3.8Å; L166-E264 WeakPolarHBondContact CD1-OE1 3.4Å; L166-E264 HydrophobicContact CD2-CG 3.95Å; L173-E264 HydrophobicContact CD2-CB 4.4Å; L173-E264 HydrophobicContact CD2-CG 4.01Å; N262-E264 PolarHBondContact O-N 2.85Å; E264-L267 PolarHBondContact O-N 3.15Å; E264-Q268 PolarHBondContact O-N 3Å
265E97.8Very high97.3Very high146 Ų14658.5 Ų58.568%0.68229%0.294SS*.Hα-helixtrans-60.3-48173.8-176.5-173.4168.600111.3N262 L267 Q268 F269N262-E265 PolarHBondContact O-N 2.87Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 2.69Å; E265-Q268 WeakPolarHBondContact O-CB 3.42Å; E265-Q268 PolarHBondContact O-N 2.81Å; E265-Q268 VanDerWaalsContact O-N 3.16Å; E265-F269 WeakPolarHBondContact O-CB 3.49Å; E265-F269 PolarHBondContact O-N 2.8Å
266L98.4Very high97.3Very high13 Ų1360.3 Ų60.37%0.06830%0.301CS..Hα-helixtrans-64.7-35.4179.9-68.1173.4000112.8F233 W250 I254 P255 V256 N262 A270F233-L266 HydrophobicContact CE1-CB 3.89Å; W250-L266 HydrophobicContact CH2-CD2 3.52Å; W250-L266 HydrophobicContact CZ2-CD2 4.02Å; I254-L266 HydrophobicContact CG2-CB 4.41Å; I254-L266 HydrophobicContact CG2-CD1 3.97Å; I254-L266 HydrophobicContact CG2-CD2 3.91Å; I254-L266 HydrophobicContact CG2-CG 4.34Å; P255-L266 WeakPolarHBondContact O-CD1 3.31Å; V256-L266 HydrophobicContact CB-CD1 4.46Å; V256-L266 HydrophobicContact CG2-CD1 3.91Å; N262-L266 HydrophobicContact CB-CD1 4.25Å; N262-L266 HydrophobicContact CB-CG 4.34Å; N262-L266 WeakPolarHBondContact ND2-CD1 3.4Å; N262-L266 WeakPolarHBondContact O-CB 3.13Å; N262-L266 WeakPolarHBondContact O-CG 3.47Å; N262-L266 PolarHBondContact O-N 2.9Å; L266-A270 WeakPolarHBondContact O-CB 3.36Å; L266-A270 PolarHBondContact O-N 3.27Å
267L98.2Very high97.3Very high0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-70.5-35.2174.3-75.1170.3000112.1L173 V174 Y209 F211 F233 V263 E264 E265 R271L173-L267 HydrophobicContact CD1-CB 3.84Å; L173-L267 HydrophobicContact CD1-CD1 4.09Å; L173-L267 HydrophobicContact CD2-CD1 3.99Å; L173-L267 HydrophobicContact CG-CB 4.39Å; L173-L267 HydrophobicContact CG-CD1 3.75Å; V174-L267 HydrophobicContact CG2-CD1 3.44Å; V174-L267 VanDerWaalsContact CG2-CD1 3.44Å; Y209-L267 HydrophobicContact CD2-CD2 3.68Å; Y209-L267 HydrophobicContact CE2-CD2 4.45Å; Y209-L267 HydrophobicContact CG-CD2 4.03Å; F211-L267 HydrophobicContact CE2-CD1 4.45Å; F211-L267 HydrophobicContact CE2-CD2 4.22Å; F211-L267 HydrophobicContact CZ-CD1 4.06Å; F211-L267 HydrophobicContact CZ-CD2 4.06Å; F211-L267 HydrophobicContact CZ-CG 4.22Å; F233-L267 HydrophobicContact CE1-CD2 4.28Å; F233-L267 HydrophobicContact CE2-CD2 4.15Å; F233-L267 HydrophobicContact CZ-CD2 3.85Å; V263-L267 HydrophobicContact CG2-CD1 4.14Å; V263-L267 WeakPolarHBondContact O-CB 3.49Å; V263-L267 VanDerWaalsContact O-CG 3.3Å; V263-L267 WeakPolarHBondContact O-CG 3.47Å; V263-L267 PolarHBondContact O-N 2.84Å; E264-L267 PolarHBondContact O-N 3.15Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 2.69Å; L267-R271 WeakPolarHBondContact O-CG 3.48Å; L267-R271 PolarHBondContact O-N 3.1Å; L267-R271 VanDerWaalsContact O-N 3.17Å
268Q97.5Very high97.4Very high86 Ų8659.3 Ų59.340%0.40229%0.293SS..Hα-helixtrans-66-49.7173.1-174.562.520.100110.7E264 E265 A270 R271 E272E264-Q268 PolarHBondContact O-N 3Å; E265-Q268 WeakPolarHBondContact O-CB 3.42Å; E265-Q268 PolarHBondContact O-N 2.81Å; E265-Q268 VanDerWaalsContact O-N 3.16Å; Q268-A270 VanDerWaalsContact C-N 3.27Å; Q268-A270 PolarHBondContact O-N 3.21Å; Q268-R271 WeakPolarHBondContact O-CB 3.35Å; Q268-R271 PolarHBondContact O-N 2.8Å; Q268-E272 PolarHBondContact NE2-OE1 3.09Å; Q268-E272 PolarHBondContact O-N 3.06Å
269F98.4Very high97.7Very high63 Ų6361.5 Ų61.528%0.27630%0.302SS..Hα-helixtrans-50.7-46.9173167.4-96.3000111.8W250 E265 R271 E272 N273 L276 V277W250-F269 HydrophobicContact CZ3-CD1 4.39Å; W250-F269 AromaticContact CZ3-CE1 3.85Å; W250-F269 HydrophobicContact CZ3-CE1 3.85Å; W250-F269 HydrophobicContact CZ3-CZ 4.38Å; E265-F269 WeakPolarHBondContact O-CB 3.49Å; E265-F269 PolarHBondContact O-N 2.8Å; F269-R271 VanDerWaalsContact C-N 3.3Å; F269-R271 PolarHBondContact O-N 2.69Å; F269-E272 PolarHBondContact O-N 3.32Å; F269-N273 WeakPolarHBondContact CD2-ND2 3.5Å; F269-N273 HydrophobicContact CE2-CB 4.33Å; F269-N273 HydrophobicContact CZ-CB 4.39Å; F269-N273 WeakPolarHBondContact O-CB 3.27Å; F269-N273 PolarHBondContact O-N 2.85Å; F269-N273 PolarHBondContact O-ND2 2.86Å; F269-L276 HydrophobicContact CE2-CD2 4.45Å; F269-L276 HydrophobicContact CZ-CD2 3.75Å; F269-V277 HydrophobicContact CD1-CG1 4.4Å; F269-V277 HydrophobicContact CE1-CG1 3.94Å
270A98.4Very high97.9Very high0 Ų056.6 Ų56.60%028%0.276CS..Hα-helixtrans-65.5-31.5-179.900000113.4Y209 L231 F233 L266 Q268 V277Y209-A270 HydrophobicContact CD1-CB 4.45Å; Y209-A270 HydrophobicContact CE1-CB 3.95Å; Y209-A270 PolarHBondContact OH-O 2.85Å; L231-A270 HydrophobicContact CD2-CB 4.05Å; F233-A270 HydrophobicContact CZ-CB 4.02Å; L266-A270 WeakPolarHBondContact O-CB 3.36Å; L266-A270 PolarHBondContact O-N 3.27Å; Q268-A270 VanDerWaalsContact C-N 3.27Å; Q268-A270 PolarHBondContact O-N 3.21Å; A270-V277 HydrophobicContact CB-CG1 4Å; A270-V277 HydrophobicContact CB-CG2 4.29Å; A270-V277 WeakPolarHBondContact O-CG2 3.37Å
271R97.1Very high98.1Very high80 Ų8056.3 Ų56.330%0.30227%0.274SS..Hα-helixtrans-73-38.1174.7-74.7173.7169-177.5-3.8112.3S147 D172 Y209 L267 Q268 F269S147-R271 PolarHBondContact O-NE 3.35Å; S147-R271 PolarHBondContact O-NH2 3.4Å; D172-R271 PolarHBondContact O-NH2 3.38Å; D172-R271 VanDerWaalsContact O-NH2 3.12Å; Y209-R271 HydrophobicContact CE2-CG 4.05Å; L267-R271 WeakPolarHBondContact O-CG 3.48Å; L267-R271 PolarHBondContact O-N 3.1Å; L267-R271 VanDerWaalsContact O-N 3.17Å; Q268-R271 WeakPolarHBondContact O-CB 3.35Å; Q268-R271 PolarHBondContact O-N 2.8Å; F269-R271 VanDerWaalsContact C-N 3.3Å; F269-R271 PolarHBondContact O-N 2.69Å
272E98Very high98.2Very high133 Ų13353.9 Ų53.962%0.62126%0.255SS*.Hα-helixtrans-77.6-23.2-179.3-69173.217300112.8Q268 F269Q268-E272 PolarHBondContact NE2-OE1 3.09Å; Q268-E272 PolarHBondContact O-N 3.06Å; F269-E272 PolarHBondContact O-N 3.32Å
273N98.5Very high98.3Very high60 Ų6056.5 Ų56.532%0.32126%0.262SS..THydrogen-bonded Turntrans-119.947.9-175.7-61.1-89.6000111.7F269 E275 L276 V277F269-N273 WeakPolarHBondContact CD2-ND2 3.5Å; F269-N273 HydrophobicContact CE2-CB 4.33Å; F269-N273 HydrophobicContact CZ-CB 4.39Å; F269-N273 WeakPolarHBondContact O-CB 3.27Å; F269-N273 PolarHBondContact O-N 2.85Å; F269-N273 PolarHBondContact O-ND2 2.86Å; N273-E275 VanDerWaalsContact C-N 3.35Å; N273-E275 PolarHBondContact O-N 2.8Å; N273-L276 HydrophobicContact CB-CB 4.14Å; N273-L276 HydrophobicContact CB-CD2 4.31Å; N273-L276 WeakPolarHBondContact O-CB 3.36Å; N273-L276 PolarHBondContact O-N 2.78Å; N273-L276 VanDerWaalsContact O-N 3.08Å; N273-V277 PolarHBondContact O-N 2.91Å
274D98.5Very high98.3Very high45 Ų4556.1 Ų56.124%0.24126%0.26CS..Hα-helixtrans-54.4-44.2-168.7-163.263.9000113.5W142 K208 V277 K278W142-D274 VanDerWaalsContact NE1-CG 3.33Å; W142-D274 PolarHBondContact NE1-OD1 3.18Å; W142-D274 PolarHBondContact NE1-OD2 3.45Å; K208-D274 IonicContact NZ-OD1 3.8Å; K208-D274 PolarHBondContact NZ-OD1 3.43Å; K208-D274 IonicContact NZ-OD2 2.67Å; K208-D274 PolarHBondContact NZ-OD2 3.02Å; D274-V277 WeakPolarHBondContact O-CG2 3.48Å; D274-V277 PolarHBondContact O-N 3.08Å; D274-K278 VanDerWaalsContact O-CB 3.29Å; D274-K278 WeakPolarHBondContact O-CB 3.44Å; D274-K278 PolarHBondContact O-N 3.4Å
275E98.3Very high98.4Very high121 Ų12153 Ų5357%0.56525%0.245SC*.Hα-helixtrans-67.2-40.4178.7-73-54.8140.100112.8N273 K278 Q279N273-E275 VanDerWaalsContact C-N 3.35Å; N273-E275 PolarHBondContact O-N 2.8Å; E275-K278 WeakPolarHBondContact O-CB 3.36Å; E275-K278 PolarHBondContact O-N 3.18Å; E275-Q279 WeakPolarHBondContact O-CG 3.46Å; E275-Q279 PolarHBondContact O-N 2.94Å; E275-Q279 VanDerWaalsContact O-N 3.13Å
276L98.4Very high98.4Very high74 Ų7449.2 Ų49.239%0.38723%0.229SC..Hα-helixtrans-62.7-47.5177.7174.463.1000110.5F269 N273 K278 Q279 I280F269-L276 HydrophobicContact CE2-CD2 4.45Å; F269-L276 HydrophobicContact CZ-CD2 3.75Å; N273-L276 HydrophobicContact CB-CB 4.14Å; N273-L276 HydrophobicContact CB-CD2 4.31Å; N273-L276 WeakPolarHBondContact O-CB 3.36Å; N273-L276 PolarHBondContact O-N 2.78Å; N273-L276 VanDerWaalsContact O-N 3.08Å; L276-K278 VanDerWaalsContact C-N 3.33Å; L276-K278 PolarHBondContact O-N 3.04Å; L276-Q279 WeakPolarHBondContact O-CB 3.22Å; L276-Q279 PolarHBondContact O-N 3.25Å; L276-Q279 VanDerWaalsContact O-N 3.16Å; L276-I280 PolarHBondContact O-N 2.96Å
277V98.6Very high98.4Very high0 Ų049.7 Ų49.70%023%0.231CC..Hα-helixtrans-73.4-27.9-178.3-59.50000112.8W142 L231 F269 A270 N273 D274 Q279 I280 A281W142-V277 HydrophobicContact CH2-CG2 4.09Å; W142-V277 HydrophobicContact CZ2-CG2 3.86Å; L231-V277 HydrophobicContact CD1-CB 4.28Å; L231-V277 HydrophobicContact CD2-CB 3.56Å; L231-V277 HydrophobicContact CD2-CG1 3.95Å; L231-V277 HydrophobicContact CD2-CG2 4.09Å; L231-V277 HydrophobicContact CG-CB 4.46Å; F269-V277 HydrophobicContact CD1-CG1 4.4Å; F269-V277 HydrophobicContact CE1-CG1 3.94Å; A270-V277 HydrophobicContact CB-CG1 4Å; A270-V277 HydrophobicContact CB-CG2 4.29Å; A270-V277 WeakPolarHBondContact O-CG2 3.37Å; N273-V277 PolarHBondContact O-N 2.91Å; D274-V277 WeakPolarHBondContact O-CG2 3.48Å; D274-V277 PolarHBondContact O-N 3.08Å; V277-Q279 VanDerWaalsContact C-N 3.28Å; V277-Q279 PolarHBondContact O-N 3.21Å; V277-I280 PolarHBondContact O-N 3.27Å; V277-A281 PolarHBondContact O-N 3.22Å
278K98.8Very high98.4Very high60 Ų6049.7 Ų49.726%0.26123%0.231SC..Hα-helixtrans-57.8-42.9167.3-177.7-173.9171.9-65.40111.1W142 D274 E275 L276 I280 A281 D282W142-K278 HydrophobicContact CB-CD 4.05Å; W142-K278 HydrophobicContact CB-CG 4.24Å; W142-K278 HydrophobicContact CD2-CB 3.86Å; W142-K278 HydrophobicContact CD2-CD 4.23Å; W142-K278 HydrophobicContact CD2-CG 3.69Å; W142-K278 HydrophobicContact CE3-CB 4.34Å; W142-K278 HydrophobicContact CE3-CG 4.13Å; W142-K278 HydrophobicContact CG-CB 4.22Å; W142-K278 HydrophobicContact CG-CD 3.71Å; W142-K278 HydrophobicContact CG-CG 3.71Å; W142-K278 HydrophobicContact CH2-CB 4.42Å; W142-K278 HydrophobicContact CZ2-CB 3.94Å; D274-K278 VanDerWaalsContact O-CB 3.29Å; D274-K278 WeakPolarHBondContact O-CB 3.44Å; D274-K278 PolarHBondContact O-N 3.4Å; E275-K278 WeakPolarHBondContact O-CB 3.36Å; E275-K278 PolarHBondContact O-N 3.18Å; L276-K278 VanDerWaalsContact C-N 3.33Å; L276-K278 PolarHBondContact O-N 3.04Å; K278-I280 VanDerWaalsContact C-N 3.33Å; K278-I280 PolarHBondContact O-N 3.38Å; K278-A281 WeakPolarHBondContact O-CB 3.46Å; K278-A281 PolarHBondContact O-N 3.07Å; K278-D282 IonicContact NZ-OD2 3Å; K278-D282 PolarHBondContact NZ-OD2 2.98Å; K278-D282 PolarHBondContact O-N 3.02Å
279Q98.8Very high98.4Very high98 Ų9849.7 Ų49.746%0.45823%0.228SC..Hα-helixtrans-64.7-36.5177-64.4171.423.900112.4E275 L276 V277 D282 R283E275-Q279 WeakPolarHBondContact O-CG 3.46Å; E275-Q279 PolarHBondContact O-N 2.94Å; E275-Q279 VanDerWaalsContact O-N 3.13Å; L276-Q279 WeakPolarHBondContact O-CB 3.22Å; L276-Q279 PolarHBondContact O-N 3.25Å; L276-Q279 VanDerWaalsContact O-N 3.16Å; V277-Q279 VanDerWaalsContact C-N 3.28Å; V277-Q279 PolarHBondContact O-N 3.21Å; Q279-D282 PolarHBondContact O-N 3.15Å; Q279-R283 WeakPolarHBondContact O-CG 3.38Å; Q279-R283 PolarHBondContact O-N 2.92Å
280I98.9Very high98.3Very high4 Ų450.7 Ų50.72%0.02124%0.236CC..Hα-helixtrans-62.9-46.8173.5-62.3169.3000110.1L231 I254 L276 V277 K278 D282 R283 G284L231-I280 HydrophobicContact CD1-CB 3.74Å; L231-I280 HydrophobicContact CD1-CG2 3.56Å; I254-I280 HydrophobicContact CD1-CD1 3.62Å; L276-I280 PolarHBondContact O-N 2.96Å; V277-I280 PolarHBondContact O-N 3.27Å; K278-I280 VanDerWaalsContact C-N 3.33Å; K278-I280 PolarHBondContact O-N 3.38Å; I280-D282 PolarHBondContact O-N 3.31Å; I280-R283 PolarHBondContact O-N 3Å; I280-G284 PolarHBondContact O-N 3.27Å
281A98.9Very high98.2Very high1 Ų153.9 Ų53.91%0.00825%0.253CS..Hα-helixtrans-57.8-45.3175.600000112.5W142 L231 V277 K278 G284 Y285W142-A281 HydrophobicContact CE3-CB 4.44Å; W142-A281 HydrophobicContact CH2-CB 4.44Å; W142-A281 HydrophobicContact CZ3-CB 3.75Å; L231-A281 HydrophobicContact CB-CB 4.3Å; V277-A281 PolarHBondContact O-N 3.22Å; K278-A281 WeakPolarHBondContact O-CB 3.46Å; K278-A281 PolarHBondContact O-N 3.07Å; A281-G284 PolarHBondContact O-N 3.38Å; A281-Y285 WeakPolarHBondContact O-CB 3.44Å; A281-Y285 PolarHBondContact O-N 3.03Å
282D98.8Very high98.2Very high28 Ų2850.1 Ų50.115%0.1524%0.239CC..Hα-helixtrans-62.9-42.9177-79.5-40.8000111.4R229 K278 Q279 I280 Y285 N286R229-D282 WeakPolarHBondContact CD-OD1 3.43Å; R229-D282 WeakPolarHBondContact CG-OD1 3.26Å; R229-D282 IonicContact CZ-OD1 2.77Å; R229-D282 IonicContact NE-OD1 3.44Å; R229-D282 IonicContact NH1-OD1 2.69Å; R229-D282 PolarHBondContact NH1-OD1 2.9Å; K278-D282 IonicContact NZ-OD2 3Å; K278-D282 PolarHBondContact NZ-OD2 2.98Å; K278-D282 PolarHBondContact O-N 3.02Å; Q279-D282 PolarHBondContact O-N 3.15Å; I280-D282 PolarHBondContact O-N 3.31Å; D282-Y285 PolarHBondContact O-N 3.2Å; D282-N286 WeakPolarHBondContact O-CB 3.17Å; D282-N286 PolarHBondContact O-N 3.37Å; D282-N286 PolarHBondContact O-ND2 2.96Å
283R98.8Very high98.2Very high85 Ų8547.6 Ų47.632%0.32122%0.223SC..Hα-helixtrans-64.2-43.1175.6-73.7-172.1-62-96.48.3112.4V251 Q279 I280 N286 F287V251-R283 WeakPolarHBondContact O-CB 3.39Å; V251-R283 PolarHBondContact O-NE 2.98Å; Q279-R283 WeakPolarHBondContact O-CG 3.38Å; Q279-R283 PolarHBondContact O-N 2.92Å; I280-R283 PolarHBondContact O-N 3Å; R283-N286 PolarHBondContact O-N 3.17Å; R283-F287 WeakPolarHBondContact O-CB 3.43Å; R283-F287 PolarHBondContact O-N 3.5Å
284G98.7Very high98.1Very high0 Ų045.5 Ų45.50%021%0.212CC..Hα-helixtrans-62.7-44.6176.400000112.8H252 I280 A281 F287 I288H252-G284 WeakPolarHBondContact O-CA 3.3Å; I280-G284 PolarHBondContact O-N 3.27Å; A281-G284 PolarHBondContact O-N 3.38Å; G284-F287 PolarHBondContact O-N 3.18Å; G284-I288 PolarHBondContact O-N 3.36Å
285Y98.8Very high98Very high15 Ų1548.2 Ų48.26%0.05922%0.223CC..Hα-helixtrans-56.2-53.1171.7174.4-81.5000110.8S134 F226 L227 R229 A281 D282 F287 I288 W289S134-Y285 PolarHBondContact OG-OH 2.94Å; F226-Y285 WeakPolarHBondContact O-CB 3.41Å; F226-Y285 WeakPolarHBondContact O-CD2 3.39Å; L227-Y285 HydrophobicContact CD2-CD2 4.29Å; L227-Y285 HydrophobicContact CD2-CE2 4.23Å; L227-Y285 WeakPolarHBondContact O-CE2 3.48Å; R229-Y285 HydrophobicContact CB-CD2 3.73Å; R229-Y285 HydrophobicContact CB-CE2 4.4Å; R229-Y285 HydrophobicContact CB-CG 4.17Å; R229-Y285 HydrophobicContact CG-CD2 4.19Å; R229-Y285 HydrophobicContact CG-CG 4.12Å; A281-Y285 WeakPolarHBondContact O-CB 3.44Å; A281-Y285 PolarHBondContact O-N 3.03Å; D282-Y285 PolarHBondContact O-N 3.2Å; Y285-F287 VanDerWaalsContact C-N 3.3Å; Y285-F287 PolarHBondContact O-N 3.34Å; Y285-I288 PolarHBondContact O-N 3.38Å; Y285-W289 HydrophobicContact CD1-CB 4.41Å; Y285-W289 HydrophobicContact CE1-CB 4.11Å; Y285-W289 HydrophobicContact CE1-CG 4.22Å; Y285-W289 VanDerWaalsContact O-CB 3.27Å; Y285-W289 WeakPolarHBondContact O-CB 3.43Å; Y285-W289 PolarHBondContact O-N 3Å
286N98.5Very high97.9Very high67 Ų6743.1 Ų43.136%0.35820%0.2SC..Hα-helixtrans-62.7-37.2-176.8-72-24.5000111.9D282 R283 W289 N290D282-N286 WeakPolarHBondContact O-CB 3.17Å; D282-N286 PolarHBondContact O-N 3.37Å; D282-N286 PolarHBondContact O-ND2 2.96Å; R283-N286 PolarHBondContact O-N 3.17Å; N286-W289 PolarHBondContact O-N 3.23Å; N286-N290 VanDerWaalsContact O-CB 3.31Å; N286-N290 WeakPolarHBondContact O-CB 3.34Å; N286-N290 VanDerWaalsContact O-CG 3.32Å; N286-N290 PolarHBondContact O-N 3.27Å; N286-N290 PolarHBondContact O-ND2 3.5Å; N286-N290 VanDerWaalsContact O-ND2 3.1Å
287F97.9Very high97.8Very high23 Ų2339.6 Ų39.610%0.10118%0.182CC..Hα-helixtrans-60.7-53.4176.6-179.2-89.4000111.3Q246 L247 H252 R283 G284 Y285 W289 N290 N291Q246-F287 HydrophobicContact CB-CE1 4.29Å; Q246-F287 HydrophobicContact CB-CE2 3.89Å; Q246-F287 HydrophobicContact CB-CZ 3.35Å; Q246-F287 HydrophobicContact CG-CZ 4.48Å; L247-F287 HydrophobicContact CD2-CD1 3.39Å; L247-F287 HydrophobicContact CD2-CE1 3.81Å; L247-F287 HydrophobicContact CD2-CG 4.19Å; L247-F287 HydrophobicContact CG-CD1 4.13Å; L247-F287 HydrophobicContact CG-CE1 4.02Å; H252-F287 AromaticContact CE1-CD2 3.52Å; H252-F287 AromaticContact CE1-CG 3.87Å; H252-F287 AromaticContact NE2-CD2 3.83Å; R283-F287 WeakPolarHBondContact O-CB 3.43Å; R283-F287 PolarHBondContact O-N 3.5Å; G284-F287 PolarHBondContact O-N 3.18Å; Y285-F287 VanDerWaalsContact C-N 3.3Å; Y285-F287 PolarHBondContact O-N 3.34Å; F287-W289 VanDerWaalsContact C-N 3.34Å; F287-W289 PolarHBondContact O-N 3.19Å; F287-N290 PolarHBondContact O-N 2.74Å; F287-N291 HydrophobicContact CE2-CB 4.24Å; F287-N291 HydrophobicContact CZ-CB 4.15Å; F287-N291 WeakPolarHBondContact O-CB 3.5Å; F287-N291 PolarHBondContact O-N 2.88Å; F287-N291 PolarHBondContact O-ND2 2.58Å
288I98Very high97.7Very high0 Ų041.9 Ų41.90%019%0.192CC..Hα-helixtrans-67-36.3179.5-65.4-63.4000111.6W126 R130 F226 L227 Y243 L247 G284 Y285 L292W126-I288 HydrophobicContact CH2-CG2 4.01Å; W126-I288 HydrophobicContact CZ2-CG2 3.76Å; R130-I288 PolarHBondContact NH1-O 3.1Å; F226-I288 HydrophobicContact CB-CB 4.07Å; F226-I288 HydrophobicContact CB-CG1 3.62Å; F226-I288 HydrophobicContact CD2-CD1 4.13Å; F226-I288 HydrophobicContact CD2-CG1 3.6Å; F226-I288 HydrophobicContact CE2-CG1 4.41Å; F226-I288 HydrophobicContact CG-CG1 3.7Å; L227-I288 HydrophobicContact CD2-CB 4.28Å; L227-I288 HydrophobicContact CD2-CG2 3.8Å; L227-I288 HydrophobicContact CG-CG2 4Å; Y243-I288 HydrophobicContact CD2-CD1 4.07Å; Y243-I288 HydrophobicContact CE2-CD1 4.02Å; L247-I288 HydrophobicContact CD1-CD1 4.42Å; L247-I288 HydrophobicContact CD2-CD1 4.18Å; L247-I288 HydrophobicContact CD2-CG1 4.49Å; G284-I288 PolarHBondContact O-N 3.36Å; Y285-I288 PolarHBondContact O-N 3.38Å; I288-L292 HydrophobicContact CD1-CB 4.4Å; I288-L292 HydrophobicContact CD1-CD2 3.94Å; I288-L292 HydrophobicContact CG2-CB 4.32Å; I288-L292 HydrophobicContact CG2-CD2 4.32Å; I288-L292 WeakPolarHBondContact O-CB 3.23Å; I288-L292 PolarHBondContact O-N 2.77Å
289W97.9Very high97.6Very high87 Ų8740.6 Ų40.633%0.3319%0.19SC..Hα-helixtrans-62.7-44.1177-172.9-102.5000111.6R130 L227 Y285 N286 F287 R293R130-W289 HydrophobicContact CB-CZ3 4.25Å; R130-W289 PolarHBondContact NH2-O 2.93Å; L227-W289 HydrophobicContact CD2-CB 4.48Å; L227-W289 HydrophobicContact CD2-CE3 4.09Å; Y285-W289 HydrophobicContact CD1-CB 4.41Å; Y285-W289 HydrophobicContact CE1-CB 4.11Å; Y285-W289 HydrophobicContact CE1-CG 4.22Å; Y285-W289 VanDerWaalsContact O-CB 3.27Å; Y285-W289 WeakPolarHBondContact O-CB 3.43Å; Y285-W289 PolarHBondContact O-N 3Å; N286-W289 PolarHBondContact O-N 3.23Å; F287-W289 VanDerWaalsContact C-N 3.34Å; F287-W289 PolarHBondContact O-N 3.19Å; W289-R293 WeakPolarHBondContact O-CG 3.47Å
290N96.6Very high97.5Very high83 Ų8335.9 Ų35.944%0.44417%0.168SC..Hα-helixtrans-92.1-22.9-172.7-64.4-35.7000114.8N286 F287 R293N286-N290 VanDerWaalsContact O-CB 3.31Å; N286-N290 WeakPolarHBondContact O-CB 3.34Å; N286-N290 VanDerWaalsContact O-CG 3.32Å; N286-N290 PolarHBondContact O-N 3.27Å; N286-N290 PolarHBondContact O-ND2 3.5Å; N286-N290 VanDerWaalsContact O-ND2 3.1Å; F287-N290 PolarHBondContact O-N 2.74Å; N290-R293 PolarHBondContact O-NE 2.59Å
291N95.7Very high97.5Very high68 Ų6835.9 Ų35.936%0.36417%0.168SC..Hα-helixtrans-125.16.9-169.4-50.3-87.7000114F287F287-N291 HydrophobicContact CE2-CB 4.24Å; F287-N291 HydrophobicContact CZ-CB 4.15Å; F287-N291 WeakPolarHBondContact O-CB 3.5Å; F287-N291 PolarHBondContact O-N 2.88Å; F287-N291 PolarHBondContact O-ND2 2.58Å
292L97Very high97.4Very high1 Ų139.2 Ų39.21%0.00518%0.182CC..SBendtrans-134.949174.3-16269.2000110.3F109 W126 R130 R223 F242 Y243 I288 D296F109-L292 HydrophobicContact CE1-CD1 4.2Å; F109-L292 HydrophobicContact CE1-CD2 4.07Å; F109-L292 HydrophobicContact CE1-CG 4.01Å; F109-L292 HydrophobicContact CZ-CD1 4.02Å; F109-L292 HydrophobicContact CZ-CD2 4.16Å; F109-L292 HydrophobicContact CZ-CG 4.25Å; W126-L292 HydrophobicContact CZ2-CD2 4.21Å; W126-L292 PolarHBondContact NE1-O 2.89Å; R130-L292 PolarHBondContact NH1-O 2.94Å; R223-L292 HydrophobicContact CB-CD2 3.85Å; F242-L292 HydrophobicContact CE1-CD1 4.17Å; F242-L292 HydrophobicContact CE2-CD1 4.31Å; F242-L292 HydrophobicContact CZ-CD1 3.56Å; Y243-L292 HydrophobicContact CD1-CD1 3.93Å; Y243-L292 HydrophobicContact CD1-CD2 4.1Å; Y243-L292 HydrophobicContact CD2-CD2 4.01Å; Y243-L292 HydrophobicContact CE1-CD2 4.14Å; Y243-L292 HydrophobicContact CE2-CD2 4.03Å; Y243-L292 HydrophobicContact CG-CD1 3.84Å; Y243-L292 HydrophobicContact CG-CD2 4.04Å; I288-L292 HydrophobicContact CD1-CB 4.4Å; I288-L292 HydrophobicContact CD1-CD2 3.94Å; I288-L292 HydrophobicContact CG2-CB 4.32Å; I288-L292 HydrophobicContact CG2-CD2 4.32Å; I288-L292 WeakPolarHBondContact O-CB 3.23Å; I288-L292 PolarHBondContact O-N 2.77Å; L292-D296 PolarHBondContact N-OD2 2.77Å
293R97.6Very high97.3Very high79 Ų7938.9 Ų38.930%0.29818%0.181SC..SBendtrans-84171.3172.9-51.9164.7-70.9176.52110.1W289 N290 E295 D296 V297W289-R293 WeakPolarHBondContact O-CG 3.47Å; N290-R293 PolarHBondContact O-NE 2.59Å; R293-E295 WeakPolarHBondContact CB-OE2 3.4Å; R293-E295 PolarHBondContact O-N 3.45Å; R293-D296 VanDerWaalsContact CB-OD2 3.25Å; R293-D296 WeakPolarHBondContact CB-OD2 3.46Å; R293-D296 WeakPolarHBondContact CG-OD2 3.42Å; R293-D296 IonicContact CZ-OD1 2.79Å; R293-D296 IonicContact CZ-OD2 2.7Å; R293-D296 PolarHBondContact N-OD2 3.45Å; R293-D296 IonicContact NE-OD1 3.22Å; R293-D296 IonicContact NE-OD2 3.27Å; R293-D296 PolarHBondContact NE-OD2 3.36Å; R293-D296 IonicContact NH2-OD1 3.39Å; R293-D296 PolarHBondContact NH2-OD1 2.99Å; R293-D296 IonicContact NH2-OD2 3.2Å; R293-D296 PolarHBondContact O-N 3.11Å; R293-V297 WeakPolarHBondContact O-CG2 3.48Å; R293-V297 PolarHBondContact O-N 3.05Å; R293-V297 VanDerWaalsContact O-N 3.13Å
294M97.5Very high97.2Very high17 Ų1735.2 Ų35.28%0.08417%0.168CC..Hα-helixtrans-63.5-34.7177.2-68.8-60.2-73.900111.4F64 W110 W126 D127 D296 V297 E298F64-M294 HydrophobicContact CE1-CE 3.54Å; F64-M294 HydrophobicContact CZ-CE 3.65Å; W110-M294 HydrophobicContact CE3-CE 4.09Å; W126-M294 HydrophobicContact CB-SD 4.09Å; W126-M294 HydrophobicContact CG-SD 4.49Å; D127-M294 HydrophobicContact CB-CG 3.86Å; D127-M294 HydrophobicContact CB-SD 4.44Å; M294-D296 VanDerWaalsContact C-N 3.31Å; M294-D296 PolarHBondContact O-N 3.13Å; M294-V297 WeakPolarHBondContact O-CB 3.4Å; M294-V297 PolarHBondContact O-N 2.71Å; M294-E298 WeakPolarHBondContact O-CG 3.08Å; M294-E298 PolarHBondContact O-N 2.82Å
295E96.1Very high97.2Very high102 Ų10235.5 Ų35.548%0.47717%0.169SC..Hα-helixtrans-65.8-34.9176.2-5677.5-170.100111.7R293 C299R293-E295 WeakPolarHBondContact CB-OE2 3.4Å; R293-E295 PolarHBondContact O-N 3.45Å; E295-C299 WeakPolarHBondContact O-CB 3.42Å; E295-C299 PolarHBondContact O-N 3.11Å
296D96Very high97.2Very high14 Ų1437.3 Ų37.38%0.07518%0.182CC..Hα-helixtrans-69.3-37.3175.9-56.1-50.7000110.7I7 L292 R293 M294 Y300I7-D296 WeakPolarHBondContact CG2-OD1 3.36Å; L292-D296 PolarHBondContact N-OD2 2.77Å; R293-D296 VanDerWaalsContact CB-OD2 3.25Å; R293-D296 WeakPolarHBondContact CB-OD2 3.46Å; R293-D296 WeakPolarHBondContact CG-OD2 3.42Å; R293-D296 IonicContact CZ-OD1 2.79Å; R293-D296 IonicContact CZ-OD2 2.7Å; R293-D296 PolarHBondContact N-OD2 3.45Å; R293-D296 IonicContact NE-OD1 3.22Å; R293-D296 IonicContact NE-OD2 3.27Å; R293-D296 PolarHBondContact NE-OD2 3.36Å; R293-D296 IonicContact NH2-OD1 3.39Å; R293-D296 PolarHBondContact NH2-OD1 2.99Å; R293-D296 IonicContact NH2-OD2 3.2Å; R293-D296 PolarHBondContact O-N 3.11Å; M294-D296 VanDerWaalsContact C-N 3.31Å; M294-D296 PolarHBondContact O-N 3.13Å; D296-Y300 WeakPolarHBondContact O-CB 3.48Å; D296-Y300 PolarHBondContact O-N 3.13Å
297V96.7Very high97.1Very high0 Ų037.9 Ų37.90%018%0.179CC..Hα-helixtrans-65.6-47.8174.7172.20000111.1F64 P105 F109 F242 R293 M294 Y300 W301F64-V297 HydrophobicContact CD1-CG1 3.78Å; F64-V297 HydrophobicContact CE1-CB 4.2Å; F64-V297 HydrophobicContact CE1-CG1 3.39Å; F64-V297 HydrophobicContact CE2-CG1 4.26Å; F64-V297 HydrophobicContact CG-CG1 4.35Å; F64-V297 HydrophobicContact CZ-CG1 3.68Å; P105-V297 HydrophobicContact CB-CG1 3.61Å; P105-V297 HydrophobicContact CG-CG1 4.12Å; F109-V297 HydrophobicContact CB-CG1 4.37Å; F109-V297 HydrophobicContact CD1-CG2 3.74Å; F109-V297 HydrophobicContact CD2-CG1 4.44Å; F109-V297 HydrophobicContact CD2-CG2 4.27Å; F109-V297 HydrophobicContact CE1-CG2 3.88Å; F109-V297 HydrophobicContact CE2-CG2 4.43Å; F109-V297 HydrophobicContact CG-CG1 4.33Å; F109-V297 HydrophobicContact CG-CG2 3.96Å; F109-V297 HydrophobicContact CZ-CG2 4.24Å; F242-V297 HydrophobicContact CZ-CG2 4.37Å; R293-V297 WeakPolarHBondContact O-CG2 3.48Å; R293-V297 PolarHBondContact O-N 3.05Å; R293-V297 VanDerWaalsContact O-N 3.13Å; M294-V297 WeakPolarHBondContact O-CB 3.4Å; M294-V297 PolarHBondContact O-N 2.71Å; V297-Y300 PolarHBondContact O-N 3.01Å; V297-W301 PolarHBondContact O-N 2.89Å; V297-W301 VanDerWaalsContact O-N 3.1Å
298E96.6Very high97.1Very high48 Ų4837.7 Ų37.722%0.22418%0.178CC..Hα-helixtrans-62.1-44.6176.9-72.3171.7-156.400111.6F64 K67 M294 Y300 W301 K302F64-E298 HydrophobicContact CD1-CG 3.83Å; F64-E298 HydrophobicContact CE1-CG 4.31Å; K67-E298 HydrophobicContact CD-CG 4.25Å; K67-E298 VanDerWaalsContact CD-OE1 3.3Å; K67-E298 WeakPolarHBondContact CD-OE1 3.31Å; K67-E298 IonicContact NZ-OE1 3.37Å; K67-E298 PolarHBondContact NZ-OE1 2.97Å; M294-E298 WeakPolarHBondContact O-CG 3.08Å; M294-E298 PolarHBondContact O-N 2.82Å; E298-Y300 VanDerWaalsContact C-N 3.33Å; E298-Y300 PolarHBondContact O-N 3.34Å; E298-W301 PolarHBondContact O-N 3.16Å; E298-K302 PolarHBondContact O-N 3.39Å
299C96.1Very high97.1Very high32 Ų3238.2 Ų38.222%0.21618%0.183CC..Hα-helixtrans-63.7-38.8177-171.30000112.5C9 E295 K302 T303C9-C299 HydrophobicContact CB-CB 4Å; C9-C299 WeakPolarHBondContact CB-SG 3.3Å; C9-C299 WeakPolarHBondContact SG-CB 3.27Å; C9-C299 CovalentContact SG-SG 2.01Å; C9-C299 PolarHBondContact SG-SG 3.37Å; E295-C299 WeakPolarHBondContact O-CB 3.42Å; E295-C299 PolarHBondContact O-N 3.11Å; C299-K302 PolarHBondContact O-N 3.41Å; C299-T303 WeakPolarHBondContact O-CB 3.17Å; C299-T303 PolarHBondContact O-N 3.07Å; C299-T303 PolarHBondContact O-OG1 3.43Å
300Y97Very high97.1Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-61-48.3176.4-171.2-81.8000111.1T10 V13 I14 M103 P105 F242 D296 V297 E298 K302 T303 L304T10-Y300 WeakPolarHBondContact OG1-CD2 3.48Å; T10-Y300 WeakPolarHBondContact OG1-CE2 3.2Å; V13-Y300 WeakPolarHBondContact CG1-OH 3.44Å; I14-Y300 HydrophobicContact CD1-CD1 4.46Å; I14-Y300 HydrophobicContact CD1-CD2 3.92Å; I14-Y300 HydrophobicContact CD1-CE1 4.31Å; I14-Y300 HydrophobicContact CD1-CE2 3.73Å; I14-Y300 HydrophobicContact CD1-CG 4.31Å; I14-Y300 HydrophobicContact CG1-CD2 4.24Å; I14-Y300 HydrophobicContact CG1-CE1 4.08Å; I14-Y300 HydrophobicContact CG1-CE2 3.53Å; I14-Y300 VanDerWaalsContact CG1-CZ 3.45Å; M103-Y300 PolarHBondContact O-OH 3.27Å; P105-Y300 VanDerWaalsContact CD-CD1 3.43Å; P105-Y300 HydrophobicContact CG-CD1 3.52Å; P105-Y300 HydrophobicContact CG-CE1 4.28Å; P105-Y300 HydrophobicContact CG-CG 4.03Å; F242-Y300 HydrophobicContact CB-CE1 4.16Å; F242-Y300 HydrophobicContact CB-CE2 4.11Å; F242-Y300 HydrophobicContact CD2-CD1 4.21Å; F242-Y300 AromaticContact CD2-CD2 3.46Å; F242-Y300 HydrophobicContact CD2-CD2 3.46Å; F242-Y300 VanDerWaalsContact CD2-CD2 3.46Å; F242-Y300 HydrophobicContact CD2-CE1 4.23Å; F242-Y300 AromaticContact CD2-CE2 3.49Å; F242-Y300 HydrophobicContact CD2-CE2 3.49Å; F242-Y300 VanDerWaalsContact CD2-CE2 3.49Å; F242-Y300 AromaticContact CD2-CG 3.81Å; F242-Y300 HydrophobicContact CD2-CG 3.81Å; F242-Y300 AromaticContact CD2-CZ 3.88Å; F242-Y300 AromaticContact CE2-CD2 3.84Å; F242-Y300 HydrophobicContact CE2-CD2 3.84Å; F242-Y300 HydrophobicContact CE2-CE2 4.33Å; F242-Y300 AromaticContact CE2-CG 3.97Å; F242-Y300 HydrophobicContact CE2-CG 3.97Å; F242-Y300 HydrophobicContact CG-CD2 4.42Å; F242-Y300 HydrophobicContact CG-CE1 4.32Å; F242-Y300 HydrophobicContact CG-CE2 4.18Å; D296-Y300 WeakPolarHBondContact O-CB 3.48Å; D296-Y300 PolarHBondContact O-N 3.13Å; V297-Y300 PolarHBondContact O-N 3.01Å; E298-Y300 VanDerWaalsContact C-N 3.33Å; E298-Y300 PolarHBondContact O-N 3.34Å; Y300-K302 PolarHBondContact O-N 2.62Å; Y300-T303 PolarHBondContact O-N 3.12Å; Y300-L304 HydrophobicContact CD1-CB 4.37Å; Y300-L304 HydrophobicContact CE1-CB 4.27Å; Y300-L304 HydrophobicContact CE1-CD2 4.07Å; Y300-L304 VanDerWaalsContact O-CB 3.23Å; Y300-L304 WeakPolarHBondContact O-CB 3.43Å; Y300-L304 PolarHBondContact O-N 3.27Å
301W97.7Very high97.2Very high4 Ų434.8 Ų34.82%0.01518%0.18CC..Hα-helixtrans-56.2-49.8176.3-89115.9000112.3V61 F64 L65 I68 L79 Y104 P105 V297 E298 T303 L304 L305V61-W301 HydrophobicContact CG1-CH2 3.79Å; V61-W301 HydrophobicContact CG1-CZ2 3.87Å; V61-W301 HydrophobicContact CG2-CZ2 4.32Å; F64-W301 HydrophobicContact CB-CG 4.14Å; F64-W301 AromaticContact CD2-NE1 3.82Å; F64-W301 AromaticContact CG-CD1 3.78Å; F64-W301 AromaticContact CG-NE1 3.79Å; L65-W301 HydrophobicContact CD2-CD2 4.48Å; L65-W301 HydrophobicContact CD2-CE3 3.96Å; L65-W301 HydrophobicContact CD2-CZ3 4.08Å; I68-W301 HydrophobicContact CD1-CB 3.79Å; L79-W301 HydrophobicContact CD1-CH2 4.15Å; Y104-W301 AromaticContact CD2-CH2 3.32Å; Y104-W301 HydrophobicContact CD2-CH2 3.32Å; Y104-W301 AromaticContact CD2-CZ2 3.22Å; Y104-W301 HydrophobicContact CD2-CZ2 3.22Å; Y104-W301 HydrophobicContact CD2-CZ3 4.43Å; Y104-W301 HydrophobicContact CE2-CH2 4.08Å; Y104-W301 AromaticContact CE2-CZ2 3.98Å; Y104-W301 HydrophobicContact CE2-CZ2 3.98Å; Y104-W301 AromaticContact CG-CH2 3.58Å; Y104-W301 HydrophobicContact CG-CH2 3.58Å; Y104-W301 AromaticContact CG-CZ2 3.89Å; Y104-W301 HydrophobicContact CG-CZ2 3.89Å; Y104-W301 HydrophobicContact CG-CZ3 4.34Å; P105-W301 HydrophobicContact CG-CG 4.27Å; P105-W301 PolarHBondContact O-NE1 2.97Å; V297-W301 PolarHBondContact O-N 2.89Å; V297-W301 VanDerWaalsContact O-N 3.1Å; E298-W301 PolarHBondContact O-N 3.16Å; W301-T303 PolarHBondContact O-N 2.86Å; W301-L304 PolarHBondContact O-N 2.84Å; W301-L305 HydrophobicContact CE3-CD1 4.04Å; W301-L305 HydrophobicContact CE3-CG 4.28Å; W301-L305 HydrophobicContact CZ3-CD1 4.45Å; W301-L305 WeakPolarHBondContact O-CG 3.44Å; W301-L305 PolarHBondContact O-N 3.12Å
302K97.2Very high97.3Very high71 Ų7132.4 Ų32.431%0.30917%0.168SC..Hα-helixtrans-58.4-48.6178.1-178.4179.3174.5179.80112I68 Q71 E298 C299 Y300 T306I68-K302 HydrophobicContact CB-CB 4.43Å; I68-K302 HydrophobicContact CD1-CB 4.08Å; I68-K302 HydrophobicContact CG2-CB 4.25Å; Q71-K302 HydrophobicContact CB-CD 4.41Å; E298-K302 PolarHBondContact O-N 3.39Å; C299-K302 PolarHBondContact O-N 3.41Å; Y300-K302 PolarHBondContact O-N 2.62Å; K302-T306 VanDerWaalsContact O-CB 3.29Å; K302-T306 WeakPolarHBondContact O-CB 3.3Å; K302-T306 PolarHBondContact O-N 3.18Å; K302-T306 PolarHBondContact O-OG1 2.67Å
303T96.8Very high97.4Very high20 Ų2038.8 Ų38.812%0.12319%0.192CC..Hα-helixtrans-63.5-46.2-179.4-56.80000111F11 I14 C299 Y300 W301 R307F11-T303 HydrophobicContact CD1-CG2 3.85Å; F11-T303 HydrophobicContact CE1-CG2 3.43Å; F11-T303 VanDerWaalsContact CE1-CG2 3.43Å; F11-T303 HydrophobicContact CZ-CG2 4.24Å; I14-T303 HydrophobicContact CD1-CG2 3.69Å; C299-T303 WeakPolarHBondContact O-CB 3.17Å; C299-T303 PolarHBondContact O-N 3.07Å; C299-T303 PolarHBondContact O-OG1 3.43Å; Y300-T303 PolarHBondContact O-N 3.12Å; W301-T303 PolarHBondContact O-N 2.86Å; T303-R307 WeakPolarHBondContact O-CB 3.31Å; T303-R307 VanDerWaalsContact O-CG 3.25Å; T303-R307 WeakPolarHBondContact O-CG 3.32Å; T303-R307 PolarHBondContact O-N 2.95Å; T303-R307 VanDerWaalsContact O-N 3.12Å
304L97.7Very high97.4Very high8 Ų837.1 Ų37.14%0.04219%0.186CC..Hα-helixtrans-57.8-54.5179.9170.260.8000110.8I14 L18 I102 Y300 W301 R307 Y308I14-L304 HydrophobicContact CD1-CB 4.08Å; I14-L304 HydrophobicContact CG1-CB 4.34Å; I14-L304 HydrophobicContact CG1-CD1 4.45Å; I14-L304 HydrophobicContact CG2-CD1 4.2Å; L18-L304 HydrophobicContact CD2-CD1 4.46Å; I102-L304 HydrophobicContact CG2-CD1 3.53Å; I102-L304 HydrophobicContact CG2-CD2 4.44Å; Y300-L304 HydrophobicContact CD1-CB 4.37Å; Y300-L304 HydrophobicContact CE1-CB 4.27Å; Y300-L304 HydrophobicContact CE1-CD2 4.07Å; Y300-L304 VanDerWaalsContact O-CB 3.23Å; Y300-L304 WeakPolarHBondContact O-CB 3.43Å; Y300-L304 PolarHBondContact O-N 3.27Å; W301-L304 PolarHBondContact O-N 2.84Å; L304-R307 PolarHBondContact O-N 3.13Å; L304-Y308 VanDerWaalsContact O-CB 3.25Å; L304-Y308 WeakPolarHBondContact O-CB 3.47Å; L304-Y308 PolarHBondContact O-N 3.23Å
305L98.3Very high97.3Very high6 Ų643.4 Ų43.43%0.03122%0.22CC..Hα-helixtrans-69.4-37.6-174.4-69176.2000112.5L65 I68 L72 F77 W301 R307 Y308 A309L65-L305 HydrophobicContact CD2-CD1 3.43Å; L65-L305 VanDerWaalsContact CD2-CD1 3.43Å; I68-L305 HydrophobicContact CD1-CD1 4.42Å; L72-L305 HydrophobicContact CD1-CB 4.28Å; L72-L305 HydrophobicContact CD1-CD1 3.72Å; L72-L305 HydrophobicContact CD2-CB 3.7Å; L72-L305 HydrophobicContact CD2-CD1 4.5Å; F77-L305 HydrophobicContact CD1-CD2 3.83Å; F77-L305 HydrophobicContact CE1-CD1 4.3Å; F77-L305 HydrophobicContact CE1-CD2 3.78Å; F77-L305 HydrophobicContact CG-CD2 4.27Å; F77-L305 HydrophobicContact CZ-CD1 4.46Å; F77-L305 HydrophobicContact CZ-CD2 4.17Å; W301-L305 HydrophobicContact CE3-CD1 4.04Å; W301-L305 HydrophobicContact CE3-CG 4.28Å; W301-L305 HydrophobicContact CZ3-CD1 4.45Å; W301-L305 WeakPolarHBondContact O-CG 3.44Å; W301-L305 PolarHBondContact O-N 3.12Å; L305-R307 VanDerWaalsContact C-N 3.31Å; L305-R307 PolarHBondContact O-N 2.57Å; L305-Y308 PolarHBondContact O-N 3.28Å; L305-A309 VanDerWaalsContact O-CB 3.26Å; L305-A309 WeakPolarHBondContact O-CB 3.39Å; L305-A309 PolarHBondContact O-N 3.23Å
306T97.5Very high97.4Very high54 Ų5439.4 Ų39.433%0.33120%0.203SC..Hα-helixtrans-60.6-43.2175.3-57.70000111.1K302 A310K302-T306 VanDerWaalsContact O-CB 3.29Å; K302-T306 WeakPolarHBondContact O-CB 3.3Å; K302-T306 PolarHBondContact O-N 3.18Å; K302-T306 PolarHBondContact O-OG1 2.67Å; T306-A310 PolarHBondContact O-N 2.99Å
307R97.1Very high97.5Very high78 Ų7844 Ų4429%0.29423%0.231SC..Hα-helixtrans-75.8-38.2-178.9-66.4-170.476.2-176.36.1112.8E15 L18 T303 L304 L305 A309 A310E15-R307 VanDerWaalsContact CD-CZ 3.45Å; E15-R307 IonicContact OE1-CZ 3.51Å; E15-R307 IonicContact OE1-NH1 3.41Å; E15-R307 PolarHBondContact OE1-NH1 2.98Å; E15-R307 IonicContact OE1-NH2 2.92Å; E15-R307 PolarHBondContact OE1-NH2 3.11Å; E15-R307 IonicContact OE2-CZ 2.69Å; E15-R307 IonicContact OE2-NH1 2.68Å; E15-R307 PolarHBondContact OE2-NH1 3.16Å; E15-R307 IonicContact OE2-NH2 3.06Å; E15-R307 PolarHBondContact OE2-NH2 3.21Å; L18-R307 HydrophobicContact CD1-CB 3.74Å; T303-R307 WeakPolarHBondContact O-CB 3.31Å; T303-R307 VanDerWaalsContact O-CG 3.25Å; T303-R307 WeakPolarHBondContact O-CG 3.32Å; T303-R307 PolarHBondContact O-N 2.95Å; T303-R307 VanDerWaalsContact O-N 3.12Å; L304-R307 PolarHBondContact O-N 3.13Å; L305-R307 VanDerWaalsContact C-N 3.31Å; L305-R307 PolarHBondContact O-N 2.57Å; R307-A309 VanDerWaalsContact C-N 3.35Å; R307-A310 PolarHBondContact O-N 3.33Å
308Y98.2Very high97.5Very high19 Ų1949.9 Ų49.98%0.07525%0.254CS..Hα-helixtrans-60.3-45172.5172.9-90.1000111.2L18 I25 L30 V75 E76 F77 I102 L304 L305 A310 L311 L312L18-Y308 HydrophobicContact CD2-CD2 4.11Å; I25-Y308 HydrophobicContact CD1-CD2 3.89Å; I25-Y308 HydrophobicContact CD1-CE2 3.42Å; I25-Y308 VanDerWaalsContact CD1-CE2 3.42Å; L30-Y308 WeakPolarHBondContact CD2-OH 3.34Å; V75-Y308 HydrophobicContact CG2-CD1 3.56Å; V75-Y308 HydrophobicContact CG2-CE1 3.83Å; E76-Y308 VanDerWaalsContact O-CE1 3.27Å; E76-Y308 WeakPolarHBondContact O-CE1 3.44Å; E76-Y308 PolarHBondContact O-OH 2.93Å; F77-Y308 HydrophobicContact CB-CE1 3.85Å; I102-Y308 HydrophobicContact CD1-CD2 3.98Å; I102-Y308 HydrophobicContact CD1-CE2 4.14Å; L304-Y308 VanDerWaalsContact O-CB 3.25Å; L304-Y308 WeakPolarHBondContact O-CB 3.47Å; L304-Y308 PolarHBondContact O-N 3.23Å; L305-Y308 PolarHBondContact O-N 3.28Å; Y308-A310 VanDerWaalsContact C-N 3.29Å; Y308-A310 PolarHBondContact O-N 2.79Å; Y308-L311 WeakPolarHBondContact O-CB 2.88Å; Y308-L311 PolarHBondContact O-N 3.24Å; Y308-L312 HydrophobicContact CE1-CD1 4.49Å; Y308-L312 HydrophobicContact CE1-CD2 3.87Å; Y308-L312 HydrophobicContact CE1-CG 4.41Å
309A98.3Very high97.5Very high12 Ų1249.9 Ų49.910%0.09926%0.255CS..Hα-helixtrans-57.7-39.7177.900000112.6P73 V75 L305 R307 L311 L312P73-A309 HydrophobicContact CB-CB 4.46Å; P73-A309 HydrophobicContact CG-CB 3.52Å; V75-A309 HydrophobicContact CB-CB 3.85Å; V75-A309 HydrophobicContact CG2-CB 3.78Å; L305-A309 VanDerWaalsContact O-CB 3.26Å; L305-A309 WeakPolarHBondContact O-CB 3.39Å; L305-A309 PolarHBondContact O-N 3.23Å; R307-A309 VanDerWaalsContact C-N 3.35Å; A309-L311 PolarHBondContact O-N 3.02Å; A309-L311 VanDerWaalsContact O-N 3.16Å; A309-L312 WeakPolarHBondContact O-CB 3.4Å; A309-L312 PolarHBondContact O-N 3.37Å
310A98Very high97.5Very high71 Ų7153.1 Ų53.159%0.58728%0.275SS*.THydrogen-bonded Turntrans-64.8-16.8177.100000114.2T306 R307 Y308 R313T306-A310 PolarHBondContact O-N 2.99Å; R307-A310 PolarHBondContact O-N 3.33Å; Y308-A310 VanDerWaalsContact C-N 3.29Å; Y308-A310 PolarHBondContact O-N 2.79Å; A310-R313 PolarHBondContact O-NH1 3.19Å
311L98.2Very high97.4Very high27 Ų2759.4 Ų59.414%0.14131%0.309CS..THydrogen-bonded Turntrans-87.4-16.5175.2-61.1174.2000112.5L18 F21 G24 I25 Y308 A309 R313L18-L311 HydrophobicContact CB-CD1 3.97Å; L18-L311 HydrophobicContact CD1-CD1 4.23Å; L18-L311 HydrophobicContact CD2-CD1 4.21Å; L18-L311 HydrophobicContact CG-CD1 4.37Å; F21-L311 HydrophobicContact CB-CD1 4.24Å; G24-L311 CarbonylContact C-O 3.57Å; G24-L311 WeakPolarHBondContact CA-O 3.46Å; I25-L311 HydrophobicContact CD1-CB 4.09Å; I25-L311 HydrophobicContact CG1-CB 4.21Å; I25-L311 PolarHBondContact N-O 3.19Å; Y308-L311 WeakPolarHBondContact O-CB 2.88Å; Y308-L311 PolarHBondContact O-N 3.24Å; A309-L311 PolarHBondContact O-N 3.02Å; A309-L311 VanDerWaalsContact O-N 3.16Å; L311-R313 PolarHBondContact O-N 3.14Å
312L98.4Very high97.4Very high18 Ų1859.7 Ų59.79%0.09431%0.311CS..BIsolated β-bridgetrans-62138.4177.6-58.1-177.2000110.5I25 V75 Y308 A309 F314 V316I25-L312 HydrophobicContact CB-CD2 4.05Å; I25-L312 HydrophobicContact CD1-CD2 4.45Å; I25-L312 HydrophobicContact CG2-CD2 4.09Å; V75-L312 HydrophobicContact CG2-CD1 4.24Å; Y308-L312 HydrophobicContact CE1-CD1 4.49Å; Y308-L312 HydrophobicContact CE1-CD2 3.87Å; Y308-L312 HydrophobicContact CE1-CG 4.41Å; A309-L312 WeakPolarHBondContact O-CB 3.4Å; A309-L312 PolarHBondContact O-N 3.37Å; L312-F314 HydrophobicContact CB-CE1 4.35Å; L312-F314 HydrophobicContact CD1-CZ 4.31Å; L312-F314 HydrophobicContact CD2-CE1 3.82Å; L312-F314 HydrophobicContact CD2-CZ 3.96Å; L312-V316 HydrophobicContact CD1-CG2 3.77Å
313R98Very high97.4Very high135 Ų13559.2 Ų59.251%0.50931%0.314SS..  trans-115.623.6178.5-60.4-64175.3-113.92.1112.1I25 V26 A310 L311I25-R313 PolarHBondContact O-N 3.07Å; V26-R313 HydrophobicContact CG1-CB 4.02Å; A310-R313 PolarHBondContact O-NH1 3.19Å; L311-R313 PolarHBondContact O-N 3.14Å
314F97.6Very high97.4Very high43 Ų4362.8 Ų62.819%0.18933%0.329CS..SBendtrans-142153.5174.461.6-86.6000108.9K27 L30 L312 V316K27-F314 HydrophobicContact CB-CD1 4.17Å; K27-F314 HydrophobicContact CB-CE1 4.37Å; K27-F314 HydrophobicContact CB-CG 4.33Å; L30-F314 HydrophobicContact CD1-CE1 4.18Å; L30-F314 HydrophobicContact CD1-CZ 3.75Å; L312-F314 HydrophobicContact CB-CE1 4.35Å; L312-F314 HydrophobicContact CD1-CZ 4.31Å; L312-F314 HydrophobicContact CD2-CE1 3.82Å; L312-F314 HydrophobicContact CD2-CZ 3.96Å; F314-V316 HydrophobicContact CE2-CG2 4.31Å
315N96.6Very high97.4Very high149 Ų14963.5 Ų63.580%0.79733%0.332SS*.  trans-76.9130.6173.6-66.6-23.8000109.3V317N315-V317 PolarHBondContact O-N 3.13Å
316V97.8Very high97.2Very high18 Ų1867.8 Ų67.811%0.10936%0.359CS..  trans-73.6115.5172.3-179.30000107.8Q40 V42 D74 E76 L312 F314Q40-V316 HydrophobicContact CG-CG1 4.32Å; V42-V316 HydrophobicContact CG2-CG1 3.82Å; D74-V316 HydrophobicContact CB-CB 4.25Å; E76-V316 HydrophobicContact CB-CG1 3.98Å; E76-V316 HydrophobicContact CB-CG2 4.01Å; L312-V316 HydrophobicContact CD1-CG2 3.77Å; F314-V316 HydrophobicContact CE2-CG2 4.31Å
317V97Very high96.3Very high110 Ų11068 Ų6867%0.66737%0.372SS*.  trans-110.7127.6177.1179.90000107.6Q40 N315 N319Q40-V317 PolarHBondContact NE2-O 2.6Å; N315-V317 PolarHBondContact O-N 3.13Å; V317-N319 PolarHBondContact O-N 2.8Å; V317-N319 VanDerWaalsContact O-N 3.08Å
318R97.4Very high94.8Very high125 Ų12577.7 Ų77.747%0.47241%0.408SS..  trans-51.4117.2179.8-179.2-99.9178.5116.3-4.9110.6V42 Y47V42-R318 HydrophobicContact CB-CB 4.32Å; V42-R318 HydrophobicContact CG1-CB 4.19Å; V42-R318 HydrophobicContact CG2-CB 4.17Å; Y47-R318 HydrophobicContact CE2-CG 4.39Å
319N96.3Very high94.6Very high48 Ų4880.7 Ų80.726%0.25743%0.425SS..  trans-78.5121.1174.2175.9-10.9000108.5V317 D321 L322V317-N319 PolarHBondContact O-N 2.8Å; V317-N319 VanDerWaalsContact O-N 3.08Å; N319-D321 PolarHBondContact O-N 2.99Å; N319-D321 WeakPolarHBondContact OD1-CB 3.42Å; N319-D321 PolarHBondContact OD1-N 2.77Å; N319-L322 HydrophobicContact CB-CD1 3.97Å; N319-L322 HydrophobicContact CB-CG 3.81Å; N319-L322 PolarHBondContact O-N 3.42Å
320P96.7Very high94.4Very high99 Ų9984.3 Ų84.364%0.64344%0.442SS*.THydrogen-bonded Turntrans-66-20.8-176.227.6-35.6000113.8L322P320-L322 VanDerWaalsContact C-N 3.32Å
321D95.7Very high94.2Very high132 Ų13285 Ų8571%0.70643%0.434SS*.THydrogen-bonded Turntrans-82.1-10.7-179-59.5-32000113N319N319-D321 PolarHBondContact O-N 2.99Å; N319-D321 WeakPolarHBondContact OD1-CB 3.42Å; N319-D321 PolarHBondContact OD1-N 2.77Å
322L97.2Very high94Very high11 Ų1188.4 Ų88.46%0.05845%0.451CS..SBendtrans-80.3138.2177.6-55.4-174.1000111.2L38 Q40 R48 N319 P320L38-L322 HydrophobicContact CD2-CD1 4.31Å; L38-L322 HydrophobicContact CD2-CD2 4.03Å; L38-L322 HydrophobicContact CG-CD1 4.29Å; L38-L322 HydrophobicContact CG-CD2 4.34Å; Q40-L322 HydrophobicContact CB-CD1 4.04Å; Q40-L322 HydrophobicContact CG-CD1 3.62Å; R48-L322 CarbonylContact O-C 3.59Å; R48-L322 WeakPolarHBondContact O-CA 3.34Å; R48-L322 WeakPolarHBondContact O-CB 3.42Å; N319-L322 HydrophobicContact CB-CD1 3.97Å; N319-L322 HydrophobicContact CB-CG 3.81Å; N319-L322 PolarHBondContact O-N 3.42Å; P320-L322 VanDerWaalsContact C-N 3.32Å
323V96.9Very high93.7Very high60 Ų6092.8 Ų92.836%0.36447%0.474SS..EExtended strand (participates in β ladder)trans-76.5136.9176.1-640000109.9Y47 R48 I325Y47-V323 CarbonylContact C-O 3.57Å; Y47-V323 VanDerWaalsContact CA-O 3.22Å; Y47-V323 WeakPolarHBondContact CA-O 3.3Å; R48-V323 HydrophobicContact CB-CG2 4.29Å; R48-V323 PolarHBondContact N-O 3.07Å; R48-V323 VanDerWaalsContact O-CG2 3.26Å; R48-V323 WeakPolarHBondContact O-CG2 3.46Å; R48-V323 PolarHBondContact O-N 3.08Å; V323-I325 HydrophobicContact CG2-CD1 3.74Å; V323-I325 PolarHBondContact O-N 3.24Å
324H97.6Very high93.4Very high96 Ų9690 Ų9044%0.44447%0.471SS..EExtended strand (participates in β ladder)trans-75.7118.8172.7-179-138.3000109.3L46 Y47L46-H324 PolarHBondContact O-CD2 3.08Å; Y47-H324 HydrophobicContact CD1-CB 4Å; Y47-H324 HydrophobicContact CE1-CB 3.84Å; Y47-H324 AromaticContact CE1-CD2 3.84Å
325I97.7Very high93.1Very high22 Ų2293.4 Ų93.411%0.11349%0.491CS..PPolyproline II helixtrans-89.6125-179.9-57.4-56.8000108.9L46 R48 E62 L66 V323L46-I325 HydrophobicContact CB-CB 4.4Å; L46-I325 HydrophobicContact CD2-CB 4.09Å; L46-I325 HydrophobicContact CD2-CG2 4.07Å; L46-I325 HydrophobicContact CG-CB 4.15Å; L46-I325 PolarHBondContact O-N 2.83Å; R48-I325 HydrophobicContact CB-CD1 3.91Å; R48-I325 HydrophobicContact CB-CG1 3.69Å; E62-I325 HydrophobicContact CB-CG2 4.33Å; E62-I325 HydrophobicContact CG-CG2 4.05Å; L66-I325 HydrophobicContact CD1-CG2 4.25Å; L66-I325 HydrophobicContact CD2-CG2 4.43Å; V323-I325 HydrophobicContact CG2-CD1 3.74Å; V323-I325 PolarHBondContact O-N 3.24Å
326V92.7Very high92.8Very high97 Ų9789.1 Ų89.159%0.58847%0.468SS*.  trans-118.8147.8176-63.70000109.5
327G78.9Confident92.4Very high58 Ų5895 Ų9560%0.59850%0.498SS*.  trans-57.4138.3175.900000111.5
328R64.9Low92Very high282 Ų28293.6 Ų93.6100%1.06448%0.482SS*.  trans-83.30173.3-70.2-173.6-176.6172.54.3112.2

Retrieved 328 of 328 residues in 366.2 ms (Link to these results)

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