A0A077Z8N6_TRITR Loading...

Fructose-1,6-bisphosphatase isozyme 2

Catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate in the presence of divalent cations and probably participates in glycogen synthesis from carbohydrate precursors, such as lactate.

AlphaFold DB , UniProt , Accession A0A077Z8N6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 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
1M41.8Very low58.6Low222 Ų222124.9 Ų124.9100%1.09463%0.629SS**  0103.90-161.4170.7179.200105.4L3M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 2.94Å
2D45.9Very low59.3Low126 Ų126123.8 Ų123.867%0.67462%0.624SS**  trans-68.592.1-174.5-159.420.8000107.6R4D2-R4 PolarHBondContact O-N 2.89Å; D2-R4 IonicContact OD2-CZ 3.18Å; D2-R4 IonicContact OD2-NE 3.57Å; D2-R4 PolarHBondContact OD2-NE 3.05Å; D2-R4 IonicContact OD2-NH2 2.74Å; D2-R4 PolarHBondContact OD2-NH2 3.06Å
3L49.3Very low60.4Low154 Ų154121.7 Ų121.781%0.80662%0.616SS**  trans-76.665.7-178.9-76.7164.4000109.2M1 R5M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 2.94Å; L3-R5 PolarHBondContact O-N 3.46Å
4R56.6Low61.8Low156 Ų156120.6 Ų120.659%0.58962%0.618SS**  trans-61.5133.9162.4-64.7-176.2-155.7-179.35.2107.3D2 E8D2-R4 PolarHBondContact O-N 2.89Å; D2-R4 IonicContact OD2-CZ 3.18Å; D2-R4 IonicContact OD2-NE 3.57Å; D2-R4 PolarHBondContact OD2-NE 3.05Å; D2-R4 IonicContact OD2-NH2 2.74Å; D2-R4 PolarHBondContact OD2-NH2 3.06Å; R4-E8 WeakPolarHBondContact CA-OE2 3.24Å; R4-E8 HydrophobicContact CB-CB 4.38Å
5R62.8Low63.3Low177 Ų177118.6 Ų118.667%0.66861%0.609SS**  trans-62.4147.9179.4-70.7-177.5176.8-167.7-0.9108.5L3 S7 E8 Q9L3-R5 PolarHBondContact O-N 3.46Å; R5-S7 VanDerWaalsContact CB-OG 3.29Å; R5-S7 WeakPolarHBondContact CB-OG 3.43Å; R5-S7 PolarHBondContact O-N 3.23Å; R5-E8 PolarHBondContact N-OE2 2.83Å; R5-E8 WeakPolarHBondContact O-CA 3.46Å; R5-E8 WeakPolarHBondContact O-CB 3.47Å; R5-E8 PolarHBondContact O-N 3.2Å; R5-Q9 PolarHBondContact O-N 2.84Å
6A64.7Low64.8Low34 Ų34113.7 Ų113.728%0.28159%0.589SS.*Hα-helixtrans-53-28.5174.500000112.2E8 Q9 F10 T14A6-E8 PolarHBondContact O-N 3.01Å; A6-Q9 PolarHBondContact O-N 2.7Å; A6-F10 HydrophobicContact CB-CD2 4.01Å; A6-F10 HydrophobicContact CB-CE2 4.46Å; A6-F10 WeakPolarHBondContact O-CB 3.13Å; A6-F10 WeakPolarHBondContact O-CD2 3.5Å; A6-F10 PolarHBondContact O-N 3.47Å; A6-T14 HydrophobicContact CB-CG2 3.69Å
7S63.9Low66.6Low39 Ų39111 Ų11127%0.27358%0.575SS.*Hα-helixtrans-58.9-40.3171.161.10000113.8R5 G11 I12R5-S7 VanDerWaalsContact CB-OG 3.29Å; R5-S7 WeakPolarHBondContact CB-OG 3.43Å; R5-S7 PolarHBondContact O-N 3.23Å; S7-G11 VanDerWaalsContact O-CA 3.24Å; S7-G11 WeakPolarHBondContact O-CA 3.47Å; S7-G11 PolarHBondContact O-N 2.81Å; S7-G11 VanDerWaalsContact O-N 3.11Å; S7-I12 WeakPolarHBondContact CA-O 3.29Å; S7-I12 PolarHBondContact N-O 3.34Å
8E62.1Low68.2Low134 Ų134106.6 Ų106.663%0.62655%0.554SS**Hα-helixtrans-79.2-27.5-179.9-64.8171.116400112R4 R5 A6R4-E8 WeakPolarHBondContact CA-OE2 3.24Å; R4-E8 HydrophobicContact CB-CB 4.38Å; R5-E8 PolarHBondContact N-OE2 2.83Å; R5-E8 WeakPolarHBondContact O-CA 3.46Å; R5-E8 WeakPolarHBondContact O-CB 3.47Å; R5-E8 PolarHBondContact O-N 3.2Å; A6-E8 PolarHBondContact O-N 3.01Å
9Q60.1Low69.7Low128 Ų128101 Ų10160%0.59853%0.525SS*.Hα-helixtrans-91.9-34.6-176.2-168.6172.1-0.200113.5R5 A6R5-Q9 PolarHBondContact O-N 2.84Å; A6-Q9 PolarHBondContact O-N 2.7Å
10F70.1Confident70.9Confident134 Ų13497.9 Ų97.959%0.58851%0.51SS*.Hα-helixtrans-122-4.1-173.2-52.3-67.2000113.5A6 I12A6-F10 HydrophobicContact CB-CD2 4.01Å; A6-F10 HydrophobicContact CB-CE2 4.46Å; A6-F10 WeakPolarHBondContact O-CB 3.13Å; A6-F10 WeakPolarHBondContact O-CD2 3.5Å; A6-F10 PolarHBondContact O-N 3.47Å; F10-I12 HydrophobicContact CB-CD1 4.41Å; F10-I12 HydrophobicContact CB-CG1 4.3Å; F10-I12 PolarHBondContact O-N 3.11Å
11G67Low72.1Confident70 Ų7098.5 Ų98.572%0.72251%0.506SS*.SBendtrans70.29.2-173.800000114S7S7-G11 VanDerWaalsContact O-CA 3.24Å; S7-G11 WeakPolarHBondContact O-CA 3.47Å; S7-G11 PolarHBondContact O-N 2.81Å; S7-G11 VanDerWaalsContact O-N 3.11Å
12I66.7Low74.7Confident112 Ų11288.9 Ų88.957%0.57446%0.458SS*.  trans-100.2111.3-179.9-58.5176000108.9S7 F10 T14S7-I12 WeakPolarHBondContact CA-O 3.29Å; S7-I12 PolarHBondContact N-O 3.34Å; F10-I12 HydrophobicContact CB-CD1 4.41Å; F10-I12 HydrophobicContact CB-CG1 4.3Å; F10-I12 PolarHBondContact O-N 3.11Å; I12-T14 PolarHBondContact O-N 3.21Å; I12-T14 VanDerWaalsContact O-N 3.13Å
13D74.1Confident77Confident96 Ų9683 Ų8351%0.51343%0.427SS..  trans-71.1105.1172.8-175.98.1000110.9D15D13-D15 VanDerWaalsContact C-N 3.28Å; D13-D15 PolarHBondContact O-N 3.46Å; D13-D15 PolarHBondContact OD1-N 2.95Å
14T79.5Confident79.2Confident106 Ų10679.3 Ų79.365%0.6541%0.407SS*.THydrogen-bonded Turntrans-79.5-5.7179.158.70000113.8A6 I12A6-T14 HydrophobicContact CB-CG2 3.69Å; I12-T14 PolarHBondContact O-N 3.21Å; I12-T14 VanDerWaalsContact O-N 3.13Å
15D84.7Confident80.9Confident91 Ų9174.3 Ų74.349%0.48740%0.396SS..THydrogen-bonded Turntrans-117.933.3173.9-16926.1000111.4D13 R21D13-D15 VanDerWaalsContact C-N 3.28Å; D13-D15 PolarHBondContact O-N 3.46Å; D13-D15 PolarHBondContact OD1-N 2.95Å; D15-R21 PolarHBondContact O-NH1 3.13Å; D15-R21 IonicContact OD1-CZ 3.86Å; D15-R21 VanDerWaalsContact OD1-CZ 3.25Å; D15-R21 IonicContact OD1-NH1 3.47Å; D15-R21 PolarHBondContact OD1-NH1 3.28Å; D15-R21 IonicContact OD1-NH2 3.52Å; D15-R21 PolarHBondContact OD1-NH2 3.01Å; D15-R21 IonicContact OD2-NH2 3.64Å
16S87.6Confident82.3Confident40 Ų4069.3 Ų69.328%0.2838%0.379SS..  trans-58.3143.4179.965.50000112.3R21S16-R21 PolarHBondContact O-NH1 3.38Å
17I94.6Very high83.6Confident68 Ų6869.9 Ų69.935%0.34938%0.376SS..  trans-94.2106.1-178.4-59.4175.9000108.6F22 L202I17-F22 HydrophobicContact CG2-CB 3.94Å; I17-L202 HydrophobicContact CB-CB 4.1Å; I17-L202 HydrophobicContact CB-CD2 4.25Å; I17-L202 HydrophobicContact CD1-CD2 4.19Å; I17-L202 HydrophobicContact CG2-CB 4.44Å; I17-L202 HydrophobicContact CG2-CD2 4.36Å; I17-L202 WeakPolarHBondContact O-CB 3.38Å; I17-L202 PolarHBondContact O-N 2.9Å
18T96.2Very high84.9Confident32 Ų3277 Ų7720%0.19640%0.402CS..BIsolated β-bridgetrans-69.9156.4170.671.70000111.2T20 R21 F22 E199 F200 I201T18-T20 VanDerWaalsContact C-N 3.27Å; T18-T20 PolarHBondContact O-N 3.42Å; T18-R21 PolarHBondContact O-N 3.25Å; T18-R21 VanDerWaalsContact O-N 3.13Å; T18-R21 WeakPolarHBondContact OG1-CB 3.46Å; T18-R21 PolarHBondContact OG1-N 3.15Å; T18-R21 VanDerWaalsContact OG1-N 3.07Å; T18-F22 WeakPolarHBondContact O-CB 3.41Å; T18-F22 PolarHBondContact O-N 3.02Å; T18-E199 HydrophobicContact CG2-CB 4.32Å; T18-E199 HydrophobicContact CG2-CG 4.41Å; T18-F200 CarbonylContact C-O 3.6Å; T18-F200 VanDerWaalsContact CA-O 3.25Å; T18-F200 WeakPolarHBondContact CA-O 3.36Å; T18-I201 HydrophobicContact CG2-CD1 3.96Å
19L96.2Very high86.3Confident0 Ų078.2 Ų78.20%041%0.405CS..Hα-helixtrans-59.9-40176.8-163156.6000111.1F22 V23 I41 L45 V180 L182 F191 F200L19-F22 WeakPolarHBondContact O-CB 3.48Å; L19-F22 PolarHBondContact O-N 3.12Å; L19-V23 HydrophobicContact CD2-CG2 3.71Å; L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 3.36Å; L19-I41 HydrophobicContact CD2-CG2 3.78Å; L19-L45 HydrophobicContact CB-CD1 4.13Å; L19-L45 HydrophobicContact CD1-CD1 4.09Å; L19-L45 HydrophobicContact CD1-CD2 3.77Å; L19-L45 HydrophobicContact CD2-CD1 3.29Å; L19-L45 HydrophobicContact CD2-CD2 4.21Å; L19-L45 HydrophobicContact CD2-CG 4.21Å; L19-L45 HydrophobicContact CG-CD1 4.01Å; L19-V180 HydrophobicContact CD1-CB 4.17Å; L19-V180 HydrophobicContact CD1-CG1 3.8Å; L19-L182 HydrophobicContact CD2-CD2 4.24Å; L19-F191 HydrophobicContact CB-CD1 3.69Å; L19-F191 HydrophobicContact CB-CE1 3.95Å; L19-F191 HydrophobicContact CB-CG 4.05Å; L19-F191 HydrophobicContact CB-CZ 4.5Å; L19-F191 HydrophobicContact CD1-CB 4.02Å; L19-F191 HydrophobicContact CD1-CD1 4.15Å; L19-F191 HydrophobicContact CD1-CD2 3.51Å; L19-F191 HydrophobicContact CD1-CE2 3.97Å; L19-F191 HydrophobicContact CD1-CG 3.64Å; L19-F191 HydrophobicContact CD1-CZ 4.47Å; L19-F191 HydrophobicContact CG-CD1 3.95Å; L19-F191 HydrophobicContact CG-CD2 3.97Å; L19-F191 HydrophobicContact CG-CE1 3.99Å; L19-F191 HydrophobicContact CG-CE2 4.01Å; L19-F191 HydrophobicContact CG-CG 3.96Å; L19-F191 HydrophobicContact CG-CZ 4.03Å; L19-F200 HydrophobicContact CB-CB 3.74Å; L19-F200 HydrophobicContact CD1-CB 4.18Å; L19-F200 PolarHBondContact N-O 3.06Å
20T95Very high87.7Confident38 Ų3877.1 Ų77.123%0.23340%0.403CS..Hα-helixtrans-61.8-45.2173.8-58.10000111.7T18 F22 V23 L24 N42T18-T20 VanDerWaalsContact C-N 3.27Å; T18-T20 PolarHBondContact O-N 3.42Å; T20-F22 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 3.33Å; T20-V23 PolarHBondContact O-N 2.88Å; T20-L24 HydrophobicContact CG2-CD1 4.02Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 VanDerWaalsContact O-CG 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.31Å; T20-L24 PolarHBondContact O-N 3.35Å; T20-N42 PolarHBondContact OG1-OD1 3.12Å
21R95Very high88.6Confident111 Ų11177 Ų7742%0.41942%0.415SS..Hα-helixtrans-61.5-40.5174.5-178179.3177.2-173.22.8111.4D15 S16 T18 S25D15-R21 PolarHBondContact O-NH1 3.13Å; D15-R21 IonicContact OD1-CZ 3.86Å; D15-R21 VanDerWaalsContact OD1-CZ 3.25Å; D15-R21 IonicContact OD1-NH1 3.47Å; D15-R21 PolarHBondContact OD1-NH1 3.28Å; D15-R21 IonicContact OD1-NH2 3.52Å; D15-R21 PolarHBondContact OD1-NH2 3.01Å; D15-R21 IonicContact OD2-NH2 3.64Å; S16-R21 PolarHBondContact O-NH1 3.38Å; T18-R21 PolarHBondContact O-N 3.25Å; T18-R21 VanDerWaalsContact O-N 3.13Å; T18-R21 WeakPolarHBondContact OG1-CB 3.46Å; T18-R21 PolarHBondContact OG1-N 3.15Å; T18-R21 VanDerWaalsContact OG1-N 3.07Å; R21-S25 WeakPolarHBondContact O-CB 3.4Å; R21-S25 PolarHBondContact O-N 3.34Å
22F96Very high89.5Confident20 Ų2077.2 Ų77.29%0.08842%0.418CS..Hα-helixtrans-60.5-52.1177.2179.5-91.4000111.2I17 T18 L19 T20 L24 S25 K26 L184 N189 F191I17-F22 HydrophobicContact CG2-CB 3.94Å; T18-F22 WeakPolarHBondContact O-CB 3.41Å; T18-F22 PolarHBondContact O-N 3.02Å; L19-F22 WeakPolarHBondContact O-CB 3.48Å; L19-F22 PolarHBondContact O-N 3.12Å; T20-F22 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 3.33Å; F22-L24 PolarHBondContact O-N 2.66Å; F22-S25 WeakPolarHBondContact O-CB 3.36Å; F22-S25 PolarHBondContact O-N 3.16Å; F22-S25 VanDerWaalsContact O-N 3.16Å; F22-S25 PolarHBondContact O-OG 3.48Å; F22-K26 HydrophobicContact CD1-CG 4.42Å; F22-K26 HydrophobicContact CE1-CG 4.13Å; F22-K26 VanDerWaalsContact CZ-CE 3.41Å; F22-K26 HydrophobicContact CZ-CG 4.44Å; F22-K26 WeakPolarHBondContact O-CG 3.36Å; F22-K26 PolarHBondContact O-N 2.98Å; F22-K26 VanDerWaalsContact O-N 3.15Å; F22-L184 HydrophobicContact CE1-CD1 4.41Å; F22-N189 HydrophobicContact CZ-CB 4.32Å; F22-N189 WeakPolarHBondContact CZ-ND2 3.27Å; F22-F191 HydrophobicContact CB-CE1 3.86Å; F22-F191 HydrophobicContact CB-CZ 3.96Å; F22-F191 HydrophobicContact CD1-CE1 4.49Å; F22-F191 AromaticContact CD1-CZ 3.72Å; F22-F191 HydrophobicContact CD1-CZ 3.72Å; F22-F191 HydrophobicContact CD2-CE1 4.45Å; F22-F191 HydrophobicContact CD2-CZ 4.1Å; F22-F191 HydrophobicContact CE1-CZ 4.2Å; F22-F191 HydrophobicContact CG-CE1 4.04Å; F22-F191 AromaticContact CG-CZ 3.67Å; F22-F191 HydrophobicContact CG-CZ 3.67Å
23V95.1Very high90.5Very high3 Ų373.9 Ų73.92%0.01841%0.407CS..Hα-helixtrans-63-43.7-179.8177.30000111.2L19 T20 S25 K26 Q27 T38 I41 L182L19-V23 HydrophobicContact CD2-CG2 3.71Å; L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 3.36Å; T20-V23 PolarHBondContact O-N 2.88Å; V23-S25 VanDerWaalsContact C-N 3.29Å; V23-S25 PolarHBondContact O-N 2.94Å; V23-K26 WeakPolarHBondContact O-CB 3.25Å; V23-K26 PolarHBondContact O-N 3.4Å; V23-Q27 PolarHBondContact O-N 3.43Å; V23-T38 HydrophobicContact CG1-CG2 3.91Å; V23-I41 HydrophobicContact CG2-CG2 4.08Å; V23-L182 HydrophobicContact CG2-CD2 4.36Å
24L94.4Very high91.4Very high77 Ų7773.6 Ų73.640%0.40341%0.409SS..Hα-helixtrans-58.7-40174.3-75.3169.3000112.3T20 F22 K26 Q27 K28 T38T20-L24 HydrophobicContact CG2-CD1 4.02Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 VanDerWaalsContact O-CG 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.31Å; T20-L24 PolarHBondContact O-N 3.35Å; F22-L24 PolarHBondContact O-N 2.66Å; L24-K26 VanDerWaalsContact C-N 3.26Å; L24-K26 PolarHBondContact O-N 2.92Å; L24-Q27 PolarHBondContact O-N 3.23Å; L24-K28 PolarHBondContact O-N 2.65Å; L24-K28 VanDerWaalsContact O-N 3.12Å; L24-T38 HydrophobicContact CD2-CG2 3.85Å; L24-T38 HydrophobicContact CG-CG2 4.07Å
25S93.4Very high92.1Very high50 Ų5069.5 Ų69.535%0.3539%0.387SS..Hα-helixtrans-65.1-30.2177.182.80000112.8R21 F22 V23R21-S25 WeakPolarHBondContact O-CB 3.4Å; R21-S25 PolarHBondContact O-N 3.34Å; F22-S25 WeakPolarHBondContact O-CB 3.36Å; F22-S25 PolarHBondContact O-N 3.16Å; F22-S25 VanDerWaalsContact O-N 3.16Å; F22-S25 PolarHBondContact O-OG 3.48Å; V23-S25 VanDerWaalsContact C-N 3.29Å; V23-S25 PolarHBondContact O-N 2.94Å
26K92.9Very high92.5Very high72 Ų7268 Ų6831%0.31338%0.377SS..Hα-helixtrans-77.6-42.9175.1-62.8-67.4-176.2166.30111.1F22 V23 L24 K28 K29 L184F22-K26 HydrophobicContact CD1-CG 4.42Å; F22-K26 HydrophobicContact CE1-CG 4.13Å; F22-K26 VanDerWaalsContact CZ-CE 3.41Å; F22-K26 HydrophobicContact CZ-CG 4.44Å; F22-K26 WeakPolarHBondContact O-CG 3.36Å; F22-K26 PolarHBondContact O-N 2.98Å; F22-K26 VanDerWaalsContact O-N 3.15Å; V23-K26 WeakPolarHBondContact O-CB 3.25Å; V23-K26 PolarHBondContact O-N 3.4Å; L24-K26 VanDerWaalsContact C-N 3.26Å; L24-K26 PolarHBondContact O-N 2.92Å; K26-K28 VanDerWaalsContact C-N 3.29Å; K26-K28 PolarHBondContact O-N 2.85Å; K26-K29 WeakPolarHBondContact O-CB 3.4Å; K26-K29 PolarHBondContact O-N 2.78Å; K26-L184 HydrophobicContact CB-CD1 4.27Å; K26-L184 HydrophobicContact CG-CD1 4.18Å
27Q91Very high92.9Very high46 Ų4667.9 Ų67.922%0.21537%0.372CS..Hα-helixtrans-53.5-45.8175.2-177.2-169.1-34.800111.6V23 L24 K29 I30 A33 T38V23-Q27 PolarHBondContact O-N 3.43Å; L24-Q27 PolarHBondContact O-N 3.23Å; Q27-K29 PolarHBondContact O-N 3.13Å; Q27-I30 PolarHBondContact O-N 3.37Å; Q27-A33 HydrophobicContact CG-CB 3.68Å; Q27-T38 PolarHBondContact OE1-OG1 2.81Å
28K91.6Very high92.9Very high188 Ų18865.1 Ų65.182%0.81736%0.358SS*.THydrogen-bonded Turntrans-57.6-19.7179-76-174.9177.4-174.80114.3L24 K26L24-K28 PolarHBondContact O-N 2.65Å; L24-K28 VanDerWaalsContact O-N 3.12Å; K26-K28 VanDerWaalsContact C-N 3.29Å; K26-K28 PolarHBondContact O-N 2.85Å
29K91.5Very high92.9Very high160 Ų16067.2 Ų67.270%0.69637%0.368SS*.THydrogen-bonded Turntrans-90.9-6.8179.9-60.5-179.1-178.9-172.10113.3K26 Q27K26-K29 WeakPolarHBondContact O-CB 3.4Å; K26-K29 PolarHBondContact O-N 2.78Å; Q27-K29 PolarHBondContact O-N 3.13Å
30I89.6Confident93Very high106 Ų10667.2 Ų67.254%0.54437%0.368SS..SBendtrans-108.7109-176-58.8172.6000108.8Q27 G32 A33Q27-I30 PolarHBondContact O-N 3.37Å; I30-G32 PolarHBondContact O-N 2.82Å; I30-A33 HydrophobicContact CB-CB 4.07Å; I30-A33 HydrophobicContact CG2-CB 4.17Å; I30-A33 WeakPolarHBondContact O-CB 3.49Å; I30-A33 PolarHBondContact O-N 3.07Å
31P88.1Confident93.1Very high130 Ų13065.5 Ų65.584%0.84436%0.357SS*.THydrogen-bonded Turntrans-56.1133.6175.5-25.134.9000111.8A33P31-A33 VanDerWaalsContact C-N 3.32Å; P31-A33 PolarHBondContact O-N 3.4Å
32G86.6Confident93.2Very high76 Ų7662.1 Ų62.178%0.78435%0.348SS*.THydrogen-bonded Turntrans78.94178.600000115.8I30 T34I30-G32 PolarHBondContact O-N 2.82Å; G32-T34 PolarHBondContact O-N 3.36Å; G32-T34 VanDerWaalsContact O-N 3.15Å
33A88.7Confident93.3Very high42 Ų4262 Ų6235%0.34735%0.349SS..  trans-67.8112.5176.800000111.8Q27 I30 P31 G35Q27-A33 HydrophobicContact CG-CB 3.68Å; I30-A33 HydrophobicContact CB-CB 4.07Å; I30-A33 HydrophobicContact CG2-CB 4.17Å; I30-A33 WeakPolarHBondContact O-CB 3.49Å; I30-A33 PolarHBondContact O-N 3.07Å; P31-A33 VanDerWaalsContact C-N 3.32Å; P31-A33 PolarHBondContact O-N 3.4Å; A33-G35 VanDerWaalsContact C-N 3.29Å; A33-G35 PolarHBondContact O-N 2.83Å
34T91.8Very high93.5Very high90 Ų9061.9 Ų61.955%0.55235%0.348SS*.  trans-74.5-13.2-174.957.40000114.7G32 E36 K119G32-T34 PolarHBondContact O-N 3.36Å; G32-T34 VanDerWaalsContact O-N 3.15Å; T34-E36 VanDerWaalsContact C-N 3.34Å; T34-E36 WeakPolarHBondContact CB-OE1 3.14Å; T34-E36 VanDerWaalsContact OG1-CD 3.3Å; T34-E36 WeakPolarHBondContact OG1-CG 3.4Å; T34-E36 PolarHBondContact OG1-OE1 3.48Å; T34-K119 PolarHBondContact OG1-NZ 2.84Å; T34-K119 VanDerWaalsContact OG1-NZ 3.17Å
35G93.6Very high93.6Very high19 Ų1958.6 Ų58.620%0.19633%0.331CS..SBendtrans90.3-9.1-172.900000114.4A33 F37 T38 N39A33-G35 VanDerWaalsContact C-N 3.29Å; A33-G35 PolarHBondContact O-N 2.83Å; G35-F37 VanDerWaalsContact C-N 3.28Å; G35-F37 PolarHBondContact O-N 3.34Å; G35-T38 WeakPolarHBondContact O-CB 3.44Å; G35-T38 PolarHBondContact O-N 3.43Å; G35-N39 PolarHBondContact O-N 2.87Å
36E94.6Very high93.8Very high59 Ų5959.1 Ų59.128%0.27633%0.332SS..Hα-helixtrans-54.2-43.4175.1-79.4164.8-114.100112.6T34 T38 N39 L40 T97 K119 Y120T34-E36 VanDerWaalsContact C-N 3.34Å; T34-E36 WeakPolarHBondContact CB-OE1 3.14Å; T34-E36 VanDerWaalsContact OG1-CD 3.3Å; T34-E36 WeakPolarHBondContact OG1-CG 3.4Å; T34-E36 PolarHBondContact OG1-OE1 3.48Å; E36-T38 VanDerWaalsContact C-N 3.31Å; E36-T38 PolarHBondContact O-N 3.26Å; E36-N39 PolarHBondContact O-N 3Å; E36-L40 PolarHBondContact O-N 2.86Å; E36-T97 HydrophobicContact CB-CG2 3.87Å; E36-T97 HydrophobicContact CG-CG2 4.18Å; E36-T97 WeakPolarHBondContact O-CG2 3.33Å; E36-K119 IonicContact OE1-NZ 3.91Å; E36-K119 PolarHBondContact OE1-NZ 2.85Å; E36-K119 VanDerWaalsContact OE2-CD 3.3Å; E36-K119 WeakPolarHBondContact OE2-CD 3.5Å; E36-K119 WeakPolarHBondContact OE2-CE 3.23Å; E36-K119 IonicContact OE2-NZ 3.05Å; E36-K119 PolarHBondContact OE2-NZ 3.28Å; E36-Y120 HydrophobicContact CB-CE2 4.12Å
37F95.2Very high94.1Very high39 Ų3955.7 Ų55.717%0.17132%0.317CS..Hα-helixtrans-62.7-40.2177.5-172.9-94.3000112G35 N39 L40 I41 Y120 I145 L167 A168 L184G35-F37 VanDerWaalsContact C-N 3.28Å; G35-F37 PolarHBondContact O-N 3.34Å; F37-N39 VanDerWaalsContact C-N 3.32Å; F37-N39 PolarHBondContact O-N 2.86Å; F37-L40 WeakPolarHBondContact O-CB 3.45Å; F37-L40 PolarHBondContact O-N 2.99Å; F37-I41 HydrophobicContact CD1-CG1 4.09Å; F37-I41 HydrophobicContact CE1-CD1 4.03Å; F37-I41 HydrophobicContact CE1-CG1 3.58Å; F37-I41 HydrophobicContact CZ-CD1 3.92Å; F37-I41 HydrophobicContact CZ-CG1 3.95Å; F37-I41 WeakPolarHBondContact O-CG1 3.47Å; F37-I41 PolarHBondContact O-N 3.4Å; F37-Y120 HydrophobicContact CB-CE2 4.12Å; F37-Y120 WeakPolarHBondContact CB-OH 3.38Å; F37-Y120 AromaticContact CD2-CE1 3.97Å; F37-Y120 HydrophobicContact CD2-CE1 3.97Å; F37-Y120 HydrophobicContact CD2-CE2 4.27Å; F37-Y120 AromaticContact CD2-CZ 3.84Å; F37-I145 HydrophobicContact CE2-CB 4.49Å; F37-I145 HydrophobicContact CE2-CD1 4.05Å; F37-I145 HydrophobicContact CE2-CG2 4.01Å; F37-I145 HydrophobicContact CZ-CD1 4.2Å; F37-L167 HydrophobicContact CE2-CB 4.47Å; F37-A168 HydrophobicContact CE2-CB 4.18Å; F37-A168 HydrophobicContact CZ-CB 3.56Å; F37-L184 HydrophobicContact CE1-CD2 3.63Å; F37-L184 HydrophobicContact CZ-CD2 3.84Å
38T95.4Very high94.5Very high9 Ų953.5 Ų53.56%0.05531%0.307CS..Hα-helixtrans-64-40.3176.6-56.50000111.1V23 L24 Q27 G35 E36 I41 N42V23-T38 HydrophobicContact CG1-CG2 3.91Å; L24-T38 HydrophobicContact CD2-CG2 3.85Å; L24-T38 HydrophobicContact CG-CG2 4.07Å; Q27-T38 PolarHBondContact OE1-OG1 2.81Å; G35-T38 WeakPolarHBondContact O-CB 3.44Å; G35-T38 PolarHBondContact O-N 3.43Å; E36-T38 VanDerWaalsContact C-N 3.31Å; E36-T38 PolarHBondContact O-N 3.26Å; T38-I41 PolarHBondContact O-N 3.15Å; T38-N42 PolarHBondContact O-N 3.38Å; T38-N42 PolarHBondContact O-ND2 3.09Å
39N96.3Very high94.8Very high76 Ų7647.7 Ų47.741%0.40628%0.282SS..Hα-helixtrans-63.2-44175.7-162.749.5000111.7G35 E36 F37 I41 N42 S43 S95 T97G35-N39 PolarHBondContact O-N 2.87Å; E36-N39 PolarHBondContact O-N 3Å; F37-N39 VanDerWaalsContact C-N 3.32Å; F37-N39 PolarHBondContact O-N 2.86Å; N39-I41 PolarHBondContact O-N 3.42Å; N39-N42 PolarHBondContact O-N 2.96Å; N39-S43 PolarHBondContact O-N 2.8Å; N39-S95 PolarHBondContact ND2-O 3.25Å; N39-T97 HydrophobicContact CB-CG2 4.18Å
40L97.7Very high95.1Very high0 Ų041.6 Ų41.60%026%0.262CS..Hα-helixtrans-55.4-50174.5-178.849.2000112.1E36 F37 N42 S43 I44 I92 T97 T98 Y120 V122 I145E36-L40 PolarHBondContact O-N 2.86Å; F37-L40 WeakPolarHBondContact O-CB 3.45Å; F37-L40 PolarHBondContact O-N 2.99Å; L40-N42 VanDerWaalsContact C-N 3.35Å; L40-N42 PolarHBondContact O-N 2.69Å; L40-S43 WeakPolarHBondContact O-CB 3.46Å; L40-S43 PolarHBondContact O-N 2.91Å; L40-I44 HydrophobicContact CD1-CD1 4.09Å; L40-I44 HydrophobicContact CD1-CG1 4.34Å; L40-I44 HydrophobicContact CG-CD1 4.15Å; L40-I44 WeakPolarHBondContact O-CG1 3.47Å; L40-I44 PolarHBondContact O-N 3.05Å; L40-I92 HydrophobicContact CD1-CG2 4.07Å; L40-T97 VanDerWaalsContact CB-OG1 3.32Å; L40-T97 WeakPolarHBondContact CB-OG1 3.35Å; L40-T98 HydrophobicContact CD1-CG2 3.54Å; L40-T98 HydrophobicContact CD2-CG2 4.04Å; L40-T98 HydrophobicContact CG-CG2 4.43Å; L40-Y120 HydrophobicContact CD2-CD2 3.73Å; L40-Y120 HydrophobicContact CD2-CG 3.84Å; L40-V122 HydrophobicContact CD1-CG2 4.09Å; L40-V122 HydrophobicContact CD2-CG2 4.01Å; L40-I145 HydrophobicContact CD2-CD1 3.99Å; L40-I145 HydrophobicContact CD2-CG1 4.3Å; L40-I145 HydrophobicContact CD2-CG2 3.86Å; L40-I145 HydrophobicContact CG-CD1 4.27Å
41I97.5Very high95.4Very high2 Ų236.6 Ų36.61%0.0124%0.236CC..Hα-helixtrans-60.2-46.5178.8-65.3-66.6000110.3L19 V23 F37 T38 N39 S43 I44 L45 I145 L182L19-I41 HydrophobicContact CD2-CG2 3.78Å; V23-I41 HydrophobicContact CG2-CG2 4.08Å; F37-I41 HydrophobicContact CD1-CG1 4.09Å; F37-I41 HydrophobicContact CE1-CD1 4.03Å; F37-I41 HydrophobicContact CE1-CG1 3.58Å; F37-I41 HydrophobicContact CZ-CD1 3.92Å; F37-I41 HydrophobicContact CZ-CG1 3.95Å; F37-I41 WeakPolarHBondContact O-CG1 3.47Å; F37-I41 PolarHBondContact O-N 3.4Å; T38-I41 PolarHBondContact O-N 3.15Å; N39-I41 PolarHBondContact O-N 3.42Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 PolarHBondContact O-N 3.4Å; I41-I44 PolarHBondContact O-N 3.03Å; I41-I44 VanDerWaalsContact O-N 3.17Å; I41-L45 HydrophobicContact CG2-CD1 4.13Å; I41-L45 HydrophobicContact CG2-CG 4.21Å; I41-L45 VanDerWaalsContact O-CG 3.29Å; I41-L45 WeakPolarHBondContact O-CG 3.47Å; I41-L45 PolarHBondContact O-N 3.28Å; I41-I145 HydrophobicContact CD1-CD1 3.6Å; I41-L182 HydrophobicContact CD1-CD1 4.33Å
42N97Very high95.9Very high41 Ų4130.5 Ų30.522%0.21920%0.196CC..Hα-helixtrans-60.4-38.3178.1-72.4-25.5000112.9T20 T38 N39 L40 L45 T46T20-N42 PolarHBondContact OG1-OD1 3.12Å; T38-N42 PolarHBondContact O-N 3.38Å; T38-N42 PolarHBondContact O-ND2 3.09Å; N39-N42 PolarHBondContact O-N 2.96Å; L40-N42 VanDerWaalsContact C-N 3.35Å; L40-N42 PolarHBondContact O-N 2.69Å; N42-L45 PolarHBondContact O-N 2.89Å; N42-T46 PolarHBondContact O-N 3.17Å; N42-T46 PolarHBondContact O-OG1 2.96Å
43S97.9Very high96.3Very high16 Ų1629.5 Ų29.511%0.11218%0.178CC..Hα-helixtrans-60.6-48172.7-84.30000112N39 L40 I41 L45 T46 A47 M91 S95N39-S43 PolarHBondContact O-N 2.8Å; L40-S43 WeakPolarHBondContact O-CB 3.46Å; L40-S43 PolarHBondContact O-N 2.91Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 PolarHBondContact O-N 3.4Å; S43-L45 PolarHBondContact O-N 3.49Å; S43-T46 WeakPolarHBondContact O-CB 3.38Å; S43-T46 PolarHBondContact O-N 2.77Å; S43-A47 PolarHBondContact O-N 3.24Å; S43-A47 VanDerWaalsContact O-N 3.09Å; S43-M91 WeakPolarHBondContact CB-O 3.43Å; S43-M91 PolarHBondContact OG-O 3.01Å; S43-S95 VanDerWaalsContact OG-CB 3.28Å; S43-S95 WeakPolarHBondContact OG-CB 3.36Å
44I98.4Very high96.6Very high1 Ų128.3 Ų28.31%0.00517%0.168CC..Hα-helixtrans-59.7-45.7175.9-67.7167.9000110.5L40 I41 T46 A47 V48 M88 I92 V122 F143 I145L40-I44 HydrophobicContact CD1-CD1 4.09Å; L40-I44 HydrophobicContact CD1-CG1 4.34Å; L40-I44 HydrophobicContact CG-CD1 4.15Å; L40-I44 WeakPolarHBondContact O-CG1 3.47Å; L40-I44 PolarHBondContact O-N 3.05Å; I41-I44 PolarHBondContact O-N 3.03Å; I41-I44 VanDerWaalsContact O-N 3.17Å; I44-T46 VanDerWaalsContact C-N 3.25Å; I44-T46 PolarHBondContact O-N 3.46Å; I44-A47 WeakPolarHBondContact O-CB 3.5Å; I44-A47 PolarHBondContact O-N 3.33Å; I44-V48 HydrophobicContact CG2-CG2 4.39Å; I44-V48 WeakPolarHBondContact O-CG2 3.16Å; I44-V48 PolarHBondContact O-N 3.41Å; I44-M88 HydrophobicContact CG2-CE 4.48Å; I44-I92 HydrophobicContact CG1-CD1 4.2Å; I44-I92 HydrophobicContact CG1-CG1 3.9Å; I44-V122 HydrophobicContact CD1-CG1 4.44Å; I44-F143 HydrophobicContact CD1-CD2 4.14Å; I44-F143 HydrophobicContact CD1-CE2 4.49Å; I44-F143 HydrophobicContact CG2-CD1 4Å; I44-F143 HydrophobicContact CG2-CD2 4.44Å; I44-F143 HydrophobicContact CG2-CE1 4.01Å; I44-F143 HydrophobicContact CG2-CE2 4.46Å; I44-F143 HydrophobicContact CG2-CG 4.22Å; I44-F143 HydrophobicContact CG2-CZ 4.24Å; I44-I145 HydrophobicContact CD1-CD1 3.94Å; I44-I145 HydrophobicContact CD1-CG1 4.4Å
45L97.7Very high96.7Very high9 Ų925.3 Ų25.35%0.04715%0.149CC..Hα-helixtrans-63-32.9178.2-63.7177.3000112.7L19 I41 N42 S43 V48 K49 V180 F200L19-L45 HydrophobicContact CB-CD1 4.13Å; L19-L45 HydrophobicContact CD1-CD1 4.09Å; L19-L45 HydrophobicContact CD1-CD2 3.77Å; L19-L45 HydrophobicContact CD2-CD1 3.29Å; L19-L45 HydrophobicContact CD2-CD2 4.21Å; L19-L45 HydrophobicContact CD2-CG 4.21Å; L19-L45 HydrophobicContact CG-CD1 4.01Å; I41-L45 HydrophobicContact CG2-CD1 4.13Å; I41-L45 HydrophobicContact CG2-CG 4.21Å; I41-L45 VanDerWaalsContact O-CG 3.29Å; I41-L45 WeakPolarHBondContact O-CG 3.47Å; I41-L45 PolarHBondContact O-N 3.28Å; N42-L45 PolarHBondContact O-N 2.89Å; S43-L45 PolarHBondContact O-N 3.49Å; L45-V48 PolarHBondContact O-N 2.96Å; L45-K49 WeakPolarHBondContact O-CG 3.29Å; L45-K49 PolarHBondContact O-N 3.22Å; L45-V180 HydrophobicContact CD2-CG1 4.09Å; L45-V180 HydrophobicContact CD2-CG2 4.11Å; L45-F200 HydrophobicContact CB-CD2 4.44Å; L45-F200 HydrophobicContact CB-CE2 4.34Å; L45-F200 HydrophobicContact CD2-CD2 4.09Å; L45-F200 HydrophobicContact CD2-CE2 4.14Å
46T98.1Very high96.7Very high60 Ų6030.1 Ų30.137%0.36816%0.161SC..Hα-helixtrans-66.9-43.8176-58.80000110.7N42 S43 I44 K49 A50 M91N42-T46 PolarHBondContact O-N 3.17Å; N42-T46 PolarHBondContact O-OG1 2.96Å; S43-T46 WeakPolarHBondContact O-CB 3.38Å; S43-T46 PolarHBondContact O-N 2.77Å; I44-T46 VanDerWaalsContact C-N 3.25Å; I44-T46 PolarHBondContact O-N 3.46Å; T46-K49 PolarHBondContact O-N 2.81Å; T46-A50 PolarHBondContact O-N 3.35Å; T46-M91 HydrophobicContact CG2-CE 4.13Å; T46-M91 HydrophobicContact CG2-SD 3.86Å
47A98.4Very high96.6Very high0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-59.8-47.1171.800000111.5S43 I44 K49 A50 I51 M88 M91S43-A47 PolarHBondContact O-N 3.24Å; S43-A47 VanDerWaalsContact O-N 3.09Å; I44-A47 WeakPolarHBondContact O-CB 3.5Å; I44-A47 PolarHBondContact O-N 3.33Å; A47-K49 VanDerWaalsContact C-N 3.33Å; A47-K49 PolarHBondContact O-N 3.17Å; A47-A50 WeakPolarHBondContact O-CB 3.12Å; A47-A50 PolarHBondContact O-N 2.93Å; A47-I51 WeakPolarHBondContact O-CG1 3.42Å; A47-I51 PolarHBondContact O-N 2.83Å; A47-M88 HydrophobicContact CB-CG 4.33Å; A47-M88 HydrophobicContact CB-SD 3.53Å; A47-M88 VanDerWaalsContact CB-SD 3.53Å; A47-M91 HydrophobicContact CB-CB 3.96Å; A47-M91 HydrophobicContact CB-CG 3.92Å
48V98.5Very high96.2Very high0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-56-45.6176.4170.50000111.2I44 L45 A50 I51 S52 A172 Y174 V180 F200I44-V48 HydrophobicContact CG2-CG2 4.39Å; I44-V48 WeakPolarHBondContact O-CG2 3.16Å; I44-V48 PolarHBondContact O-N 3.41Å; L45-V48 PolarHBondContact O-N 2.96Å; V48-A50 VanDerWaalsContact C-N 3.33Å; V48-A50 PolarHBondContact O-N 2.96Å; V48-I51 PolarHBondContact O-N 3.45Å; V48-S52 WeakPolarHBondContact O-CB 3.43Å; V48-S52 PolarHBondContact O-N 3.23Å; V48-A172 HydrophobicContact CB-CB 4.34Å; V48-A172 HydrophobicContact CG1-CB 3.42Å; V48-A172 VanDerWaalsContact CG1-CB 3.42Å; V48-A172 HydrophobicContact CG2-CB 3.91Å; V48-Y174 HydrophobicContact CG1-CE1 3.99Å; V48-V180 HydrophobicContact CG1-CG2 3.96Å; V48-F200 HydrophobicContact CG1-CE2 4.35Å; V48-F200 HydrophobicContact CG1-CZ 3.75Å
49K98.3Very high95.8Very high66 Ų6632.1 Ų32.129%0.28718%0.179SC..Hα-helixtrans-61.1-41.3176.6-74.4-173.2-68.1-176.70112.2L45 T46 A47 S52 S53 L193 G198 F200L45-K49 WeakPolarHBondContact O-CG 3.29Å; L45-K49 PolarHBondContact O-N 3.22Å; T46-K49 PolarHBondContact O-N 2.81Å; A47-K49 VanDerWaalsContact C-N 3.33Å; A47-K49 PolarHBondContact O-N 3.17Å; K49-S52 WeakPolarHBondContact O-CB 3.17Å; K49-S52 PolarHBondContact O-N 2.89Å; K49-S53 PolarHBondContact O-N 2.99Å; K49-L193 HydrophobicContact CD-CD1 4.08Å; K49-L193 HydrophobicContact CG-CD1 4.06Å; K49-G198 WeakPolarHBondContact CD-O 3.15Å; K49-G198 PolarHBondContact NZ-O 3.3Å; K49-F200 HydrophobicContact CD-CE2 4.32Å; K49-F200 HydrophobicContact CG-CE2 3.75Å; K49-F200 HydrophobicContact CG-CZ 4.29Å
50A97.6Very high95.4Very high33 Ų3336 Ų3627%0.27320%0.196SC..Hα-helixtrans-65.5-47.7178.300000111.8T46 A47 V48 S52 S53 A54 L87T46-A50 PolarHBondContact O-N 3.35Å; A47-A50 WeakPolarHBondContact O-CB 3.12Å; A47-A50 PolarHBondContact O-N 2.93Å; V48-A50 VanDerWaalsContact C-N 3.33Å; V48-A50 PolarHBondContact O-N 2.96Å; A50-S52 VanDerWaalsContact C-N 3.33Å; A50-S52 PolarHBondContact O-N 3.06Å; A50-S53 WeakPolarHBondContact O-CB 3.28Å; A50-S53 PolarHBondContact O-N 3.17Å; A50-A54 PolarHBondContact O-N 2.79Å; A50-L87 HydrophobicContact CB-CD1 3.81Å; A50-L87 HydrophobicContact CB-CD2 3.92Å; A50-L87 HydrophobicContact CB-CG 4.44Å
51I97.4Very high94.9Very high1 Ų138.7 Ų38.71%0.00522%0.218CC..Hα-helixtrans-58.5-48.2174.9-65.5166000109.8A47 V48 S53 A54 V55 L87 M88 L127 Y174A47-I51 WeakPolarHBondContact O-CG1 3.42Å; A47-I51 PolarHBondContact O-N 2.83Å; V48-I51 PolarHBondContact O-N 3.45Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 2.93Å; I51-A54 CarbonylContact O-C 3.5Å; I51-A54 WeakPolarHBondContact O-CA 3.34Å; I51-A54 WeakPolarHBondContact O-CB 3.13Å; I51-A54 PolarHBondContact O-N 2.84Å; I51-V55 HydrophobicContact CG2-CG2 4.01Å; I51-V55 WeakPolarHBondContact O-CG2 3.33Å; I51-V55 PolarHBondContact O-N 3.32Å; I51-L87 HydrophobicContact CG1-CB 4.31Å; I51-L87 HydrophobicContact CG1-CD1 3.79Å; I51-M88 HydrophobicContact CD1-CG 3.93Å; I51-M88 HydrophobicContact CD1-SD 4.19Å; I51-L127 HydrophobicContact CG2-CD1 4.08Å; I51-Y174 HydrophobicContact CG2-CD2 4.43Å; I51-Y174 HydrophobicContact CG2-CE1 4.35Å; I51-Y174 HydrophobicContact CG2-CE2 3.6Å; I51-Y174 WeakPolarHBondContact CG2-OH 3.28Å
52S97.2Very high94.3Very high1 Ų148.6 Ų48.61%0.00726%0.256CS..Hα-helixtrans-57.9-35.5178.5-164.50000113.5V48 K49 A50 R56 T178V48-S52 WeakPolarHBondContact O-CB 3.43Å; V48-S52 PolarHBondContact O-N 3.23Å; K49-S52 WeakPolarHBondContact O-CB 3.17Å; K49-S52 PolarHBondContact O-N 2.89Å; A50-S52 VanDerWaalsContact C-N 3.33Å; A50-S52 PolarHBondContact O-N 3.06Å; S52-R56 WeakPolarHBondContact O-CG 3.37Å; S52-R56 PolarHBondContact O-N 3.31Å; S52-R56 PolarHBondContact O-NH1 3.49Å; S52-R56 PolarHBondContact OG-NH1 3.32Å; S52-T178 WeakPolarHBondContact OG-CB 3.49Å; S52-T178 WeakPolarHBondContact OG-CG2 3.15Å; S52-T178 PolarHBondContact OG-OG1 2.79Å
53S95.7Very high93.5Very high56 Ų5648.2 Ų48.239%0.39225%0.254SS..Hα-helixtrans-70.5-40.3173.2-174.10000112K49 A50 I51K49-S53 PolarHBondContact O-N 2.99Å; A50-S53 WeakPolarHBondContact O-CB 3.28Å; A50-S53 PolarHBondContact O-N 3.17Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 2.93Å
54A94Very high92.7Very high17 Ų1751.3 Ų51.314%0.1426%0.263CS..Hα-helixtrans-66.8-47.7177.200000112A50 I51 R56 K57 A58 L63 L83A50-A54 PolarHBondContact O-N 2.79Å; I51-A54 CarbonylContact O-C 3.5Å; I51-A54 WeakPolarHBondContact O-CA 3.34Å; I51-A54 WeakPolarHBondContact O-CB 3.13Å; I51-A54 PolarHBondContact O-N 2.84Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-R56 PolarHBondContact O-N 2.99Å; A54-K57 CarbonylContact O-C 3.28Å; A54-K57 PolarHBondContact O-N 3.2Å; A54-A58 WeakPolarHBondContact O-CA 3.46Å; A54-A58 PolarHBondContact O-N 3.44Å; A54-L63 HydrophobicContact CB-CD1 4.06Å; A54-L83 HydrophobicContact CB-CD2 3.71Å
55V94.3Very high91.8Very high27 Ų2752.6 Ų52.616%0.16428%0.277CS..Hα-helixtrans-55.6-47.4178.1170.90000111I51 K57 A58 I80 L127 I139 Y174I51-V55 HydrophobicContact CG2-CG2 4.01Å; I51-V55 WeakPolarHBondContact O-CG2 3.33Å; I51-V55 PolarHBondContact O-N 3.32Å; V55-K57 PolarHBondContact O-N 2.62Å; V55-A58 WeakPolarHBondContact O-CB 3.49Å; V55-A58 PolarHBondContact O-N 3.19Å; V55-I80 HydrophobicContact CB-CD1 4.34Å; V55-I80 HydrophobicContact CG2-CD1 3.61Å; V55-L127 HydrophobicContact CG2-CD1 4.4Å; V55-I139 HydrophobicContact CG1-CD1 3.85Å; V55-I139 HydrophobicContact CG1-CG1 4.28Å; V55-I139 HydrophobicContact CG2-CD1 3.92Å; V55-Y174 HydrophobicContact CG2-CD2 4.32Å
56R93.6Very high90.8Very high120 Ų12056.6 Ų56.645%0.45330%0.298SS..THydrogen-bonded Turntrans-62-16.5179-77.7-175.717886.93.7114.6S52 A54 T178S52-R56 WeakPolarHBondContact O-CG 3.37Å; S52-R56 PolarHBondContact O-N 3.31Å; S52-R56 PolarHBondContact O-NH1 3.49Å; S52-R56 PolarHBondContact OG-NH1 3.32Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-R56 PolarHBondContact O-N 2.99Å; R56-T178 PolarHBondContact NH1-OG1 2.75Å; R56-T178 PolarHBondContact NH2-OG1 3.14Å
57K91.6Very high89.9Confident111 Ų11160.6 Ų60.648%0.48331%0.307SS..THydrogen-bonded Turntrans-121.411.2-177.6-59.1174.8-172.4168.20112A54 V55 G59 M60 A61A54-K57 CarbonylContact O-C 3.28Å; A54-K57 PolarHBondContact O-N 3.2Å; V55-K57 PolarHBondContact O-N 2.62Å; K57-G59 VanDerWaalsContact C-N 3.32Å; K57-G59 PolarHBondContact O-N 3.48Å; K57-M60 HydrophobicContact CB-CE 4.04Å; K57-M60 HydrophobicContact CG-CE 3.91Å; K57-M60 PolarHBondContact O-N 2.96Å; K57-A61 WeakPolarHBondContact O-CB 3.2Å; K57-A61 PolarHBondContact O-N 3.15Å
58A88.3Confident88.9Confident3 Ų364.1 Ų64.13%0.02534%0.344CS..THydrogen-bonded Turntrans-56.6-42.7-167.300000113.2A54 V55 A61 R62 L63 Y64 I80A54-A58 WeakPolarHBondContact O-CA 3.46Å; A54-A58 PolarHBondContact O-N 3.44Å; V55-A58 WeakPolarHBondContact O-CB 3.49Å; V55-A58 PolarHBondContact O-N 3.19Å; A58-A61 PolarHBondContact O-N 2.73Å; A58-R62 PolarHBondContact O-N 2.85Å; A58-R62 VanDerWaalsContact O-N 3.13Å; A58-L63 HydrophobicContact CB-CB 4.12Å; A58-L63 PolarHBondContact O-N 2.97Å; A58-Y64 HydrophobicContact CB-CD1 3.85Å; A58-Y64 HydrophobicContact CB-CE1 3.34Å; A58-I80 HydrophobicContact CB-CD1 4.34Å
59G86.5Confident88Confident35 Ų3566.2 Ų66.236%0.36136%0.358SS..THydrogen-bonded Turntrans-64.7-42.6175.400000113.9K57 R62 Y64K57-G59 VanDerWaalsContact C-N 3.32Å; K57-G59 PolarHBondContact O-N 3.48Å; G59-R62 PolarHBondContact O-N 2.9Å; G59-Y64 VanDerWaalsContact CA-CD2 3.5Å; G59-Y64 VanDerWaalsContact N-CZ 3.28Å
60M87.9Confident87Confident157 Ų15767.2 Ų67.277%0.77337%0.37SS*.THydrogen-bonded Turntrans-69.6-36.5178.6-66.1-175.1-72.100112.2K57 R62K57-M60 HydrophobicContact CB-CE 4.04Å; K57-M60 HydrophobicContact CG-CE 3.91Å; K57-M60 PolarHBondContact O-N 2.96Å; M60-R62 VanDerWaalsContact C-N 3.27Å; M60-R62 PolarHBondContact O-N 2.89Å
61A86.3Confident86.1Confident56 Ų5666.5 Ų66.546%0.46336%0.362SS..THydrogen-bonded Turntrans-84.64.8179.500000113.4K57 A58 L63K57-A61 WeakPolarHBondContact O-CB 3.2Å; K57-A61 PolarHBondContact O-N 3.15Å; A58-A61 PolarHBondContact O-N 2.73Å; A61-L63 HydrophobicContact CB-CD1 3.99Å; A61-L63 HydrophobicContact CB-CG 3.86Å; A61-L63 PolarHBondContact O-N 2.88Å
62R85.4Confident85.2Confident210 Ų21069.2 Ų69.279%0.79238%0.378SS*.THydrogen-bonded Turntrans54.734.1-178.1-54.9-179.4179.6-175.9-0.8113.5A58 G59 M60 Y64A58-R62 PolarHBondContact O-N 2.85Å; A58-R62 VanDerWaalsContact O-N 3.13Å; G59-R62 PolarHBondContact O-N 2.9Å; M60-R62 VanDerWaalsContact C-N 3.27Å; M60-R62 PolarHBondContact O-N 2.89Å; R62-Y64 VanDerWaalsContact C-N 3.29Å
63L80.8Confident84.3Confident34 Ų3470.3 Ų70.318%0.17838%0.383CS..  trans-83.7-5.8176.8-63.1176.7000112.7A54 A58 A61 I80 L83A54-L63 HydrophobicContact CB-CD1 4.06Å; A58-L63 HydrophobicContact CB-CB 4.12Å; A58-L63 PolarHBondContact O-N 2.97Å; A61-L63 HydrophobicContact CB-CD1 3.99Å; A61-L63 HydrophobicContact CB-CG 3.86Å; A61-L63 PolarHBondContact O-N 2.88Å; L63-I80 HydrophobicContact CB-CB 4.46Å; L63-L83 HydrophobicContact CD1-CD2 4Å; L63-L83 HydrophobicContact CD2-CD2 4.37Å
64Y81.7Confident83.5Confident81 Ų8170.4 Ų70.432%0.31839%0.393SS..  trans-71.2154.7172-64.5-26.4000112.7A58 G59 R62 I133 D134A58-Y64 HydrophobicContact CB-CD1 3.85Å; A58-Y64 HydrophobicContact CB-CE1 3.34Å; G59-Y64 VanDerWaalsContact CA-CD2 3.5Å; G59-Y64 VanDerWaalsContact N-CZ 3.28Å; R62-Y64 VanDerWaalsContact C-N 3.29Å; Y64-I133 HydrophobicContact CD1-CG2 3.56Å; Y64-I133 HydrophobicContact CE1-CG2 3.65Å; Y64-D134 WeakPolarHBondContact CB-OD1 3.15Å
65G78.3Confident82.9Confident27 Ų2771.9 Ų71.928%0.27840%0.397SS..SBendtrans85177.117800000115.2K79 D134G65-K79 PolarHBondContact O-N 3.43Å; G65-D134 PolarHBondContact N-OD1 3.37Å
66L77.6Confident82.4Confident94 Ų9475.4 Ų75.449%0.49242%0.415SS..EExtended strand (participates in β ladder)trans-70.5145.2-175.5-56-177.7000111.2D76 K78L66-D76 HydrophobicContact CD1-CB 4.42Å; L66-D76 HydrophobicContact CD2-CB 3.72Å; L66-K78 HydrophobicContact CD2-CG 4.35Å
67Y78.1Confident81.8Confident143 Ų14369.9 Ų69.956%0.56139%0.394SS*.EExtended strand (participates in β ladder)trans-76.7-29.8166.7-175-106.6000111.2S69 V77 K79 I82Y67-S69 WeakPolarHBondContact CD1-OG 3.27Å; Y67-V77 WeakPolarHBondContact CB-O 3.45Å; Y67-V77 PolarHBondContact N-O 3.16Å; Y67-K79 HydrophobicContact CD2-CG 4.29Å; Y67-I82 HydrophobicContact CD1-CG1 4.2Å; Y67-I82 HydrophobicContact CD2-CG1 4.29Å; Y67-I82 HydrophobicContact CG-CG1 4.07Å
68G78.1Confident81.5Confident75 Ų7565.5 Ų65.577%0.77338%0.375SS*.EExtended strand (participates in β ladder)trans103.317.5-179.100000114.2
69S78.5Confident81.5Confident44 Ų4469.4 Ų69.431%0.30839%0.392SS..EExtended strand (participates in β ladder)trans-124.3164.1173.659.70000111.2Y67 V77Y67-S69 WeakPolarHBondContact CD1-OG 3.27Å; S69-V77 PolarHBondContact O-N 3.09Å; S69-V77 WeakPolarHBondContact OG-CB 3.3Å
70T77.2Confident81.7Confident87 Ų8767.8 Ų67.853%0.53438%0.375SS..EExtended strand (participates in β ladder)trans-114.4133.7172.2-51.20000107.9G74 E75T70-G74 VanDerWaalsContact CG2-CA 3.48Å; T70-E75 CarbonylContact C-O 3.39Å; T70-E75 VanDerWaalsContact CA-O 3.3Å; T70-E75 WeakPolarHBondContact CA-O 3.27Å; T70-E75 WeakPolarHBondContact CG2-O 2.95Å
71N79Confident81.9Confident18 Ų1860.4 Ų60.410%0.09634%0.339CS..  trans-76.6177176.866.416.7000111.2Q73 G74 E75 V77N71-Q73 PolarHBondContact O-N 3.45Å; N71-Q73 WeakPolarHBondContact OD1-CA 3.25Å; N71-Q73 VanDerWaalsContact OD1-CB 3.26Å; N71-Q73 WeakPolarHBondContact OD1-CB 3.47Å; N71-Q73 PolarHBondContact OD1-N 3.2Å; N71-G74 PolarHBondContact O-N 2.69Å; N71-G74 PolarHBondContact OD1-N 3.26Å; N71-E75 PolarHBondContact N-O 3.43Å; N71-E75 PolarHBondContact OD1-N 3Å; N71-E75 PolarHBondContact OD1-O 2.8Å; N71-V77 HydrophobicContact CB-CG2 3.78Å
72V79Confident82.2Confident57 Ų5759.7 Ų59.735%0.34533%0.326SS..THydrogen-bonded Turntrans-63.2-13.1179.1-63.60000114.8G74 T107V72-G74 VanDerWaalsContact C-N 3.34Å; V72-T107 VanDerWaalsContact CG1-CB 3.45Å; V72-T107 HydrophobicContact CG1-CG2 3.71Å; V72-T107 WeakPolarHBondContact CG1-OG1 3.38Å
73Q78.6Confident82.6Confident24 Ų2452.1 Ų52.111%0.11230%0.301CS..THydrogen-bonded Turntrans-88.6-5.2177.5-59.1-60.2-35.700113.3N71 E75 E104 R284 Y287 H319 R321N71-Q73 PolarHBondContact O-N 3.45Å; N71-Q73 WeakPolarHBondContact OD1-CA 3.25Å; N71-Q73 VanDerWaalsContact OD1-CB 3.26Å; N71-Q73 WeakPolarHBondContact OD1-CB 3.47Å; N71-Q73 PolarHBondContact OD1-N 3.2Å; Q73-E75 HydrophobicContact CB-CG 4.12Å; Q73-E104 HydrophobicContact CG-CG 4.43Å; Q73-R284 VanDerWaalsContact CB-NH2 3.29Å; Q73-R284 VanDerWaalsContact CD-NE 3.26Å; Q73-Y287 PolarHBondContact NE2-OH 3.18Å; Q73-H319 PolarHBondContact NE2-ND1 3.37Å; Q73-R321 PolarHBondContact O-NH2 2.7Å; Q73-R321 VanDerWaalsContact O-NH2 3.11Å
74G79.7Confident83.3Confident58 Ų5850.5 Ų50.560%0.59829%0.293SS*.SBendtrans79.820.4-174.100000113.3T70 N71 V72T70-G74 VanDerWaalsContact CG2-CA 3.48Å; N71-G74 PolarHBondContact O-N 2.69Å; N71-G74 PolarHBondContact OD1-N 3.26Å; V72-G74 VanDerWaalsContact C-N 3.34Å
75E80.6Confident84.1Confident49 Ų4947 Ų4723%0.22928%0.28CS..  trans-104.1141.4-178.4-55.1-172.2-176.600110.9T70 N71 Q73 V77 K282 R284T70-E75 CarbonylContact C-O 3.39Å; T70-E75 VanDerWaalsContact CA-O 3.3Å; T70-E75 WeakPolarHBondContact CA-O 3.27Å; T70-E75 WeakPolarHBondContact CG2-O 2.95Å; N71-E75 PolarHBondContact N-O 3.43Å; N71-E75 PolarHBondContact OD1-N 3Å; N71-E75 PolarHBondContact OD1-O 2.8Å; Q73-E75 HydrophobicContact CB-CG 4.12Å; E75-V77 PolarHBondContact O-N 3.41Å; E75-K282 WeakPolarHBondContact OE1-CE 3.33Å; E75-K282 IonicContact OE1-NZ 2.78Å; E75-R284 IonicContact OE1-CZ 2.67Å; E75-R284 IonicContact OE1-NH1 2.58Å; E75-R284 PolarHBondContact OE1-NH1 3.13Å; E75-R284 IonicContact OE1-NH2 3.68Å; E75-R284 PolarHBondContact OE1-NH2 2.59Å
76D82.8Confident85Confident101 Ų10150.8 Ų50.854%0.5429%0.29SS..EExtended strand (participates in β ladder)trans-69.6121179.2-68.7-36.1000110.4L66L66-D76 HydrophobicContact CD1-CB 4.42Å; L66-D76 HydrophobicContact CD2-CB 3.72Å
77V81.8Confident86Confident4 Ų448 Ų482%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-78.5129.1-175.7-178.10000110.2Y67 S69 N71 E75 D81 I82Y67-V77 WeakPolarHBondContact CB-O 3.45Å; Y67-V77 PolarHBondContact N-O 3.16Å; S69-V77 PolarHBondContact O-N 3.09Å; S69-V77 WeakPolarHBondContact OG-CB 3.3Å; N71-V77 HydrophobicContact CB-CG2 3.78Å; E75-V77 PolarHBondContact O-N 3.41Å; V77-D81 HydrophobicContact CG1-CB 4.14Å; V77-I82 HydrophobicContact CG1-CD1 3.67Å; V77-I82 HydrophobicContact CG1-CG1 3.72Å
78K84.8Confident86.9Confident19 Ų1941.2 Ų41.28%0.08325%0.249CC..EExtended strand (participates in β ladder)trans-90.2154.9172-58.6-172.8177.3-162.90110.6L66 I80 D81 I82 S130 I133 D134L66-K78 HydrophobicContact CD2-CG 4.35Å; K78-I80 HydrophobicContact CB-CG2 4.38Å; K78-I80 PolarHBondContact O-N 3.46Å; K78-D81 WeakPolarHBondContact CA-OD2 3.08Å; K78-D81 VanDerWaalsContact CB-OD2 3.25Å; K78-D81 WeakPolarHBondContact CB-OD2 3.44Å; K78-D81 PolarHBondContact N-OD2 3.06Å; K78-D81 WeakPolarHBondContact O-CB 3.43Å; K78-D81 PolarHBondContact O-N 2.85Å; K78-I82 PolarHBondContact O-N 3.39Å; K78-S130 WeakPolarHBondContact CD-O 3.49Å; K78-S130 VanDerWaalsContact CE-O 3.22Å; K78-S130 WeakPolarHBondContact CE-O 3.46Å; K78-S130 PolarHBondContact NZ-O 2.71Å; K78-I133 HydrophobicContact CB-CD1 4.49Å; K78-I133 HydrophobicContact CD-CB 4.45Å; K78-I133 HydrophobicContact CD-CD1 3.73Å; K78-D134 IonicContact NZ-OD2 2.75Å; K78-D134 PolarHBondContact NZ-OD2 3.42Å
79K88.6Confident87.9Confident85 Ų8538.7 Ų38.737%0.3722%0.218SC..Hα-helixtrans-58.4-35.6-178.1-64.4175.1-178.4166.50113.1G65 Y67 D81 L83G65-K79 PolarHBondContact O-N 3.43Å; Y67-K79 HydrophobicContact CD2-CG 4.29Å; K79-D81 VanDerWaalsContact C-N 3.33Å; K79-L83 PolarHBondContact O-N 3.24Å
80I91.4Very high88.8Confident0 Ų041.3 Ų41.30%023%0.229CC..Hα-helixtrans-75.5-22.4179.6-167.9167000112.7V55 A58 L63 K78 L83 S84 L127 I133V55-I80 HydrophobicContact CB-CD1 4.34Å; V55-I80 HydrophobicContact CG2-CD1 3.61Å; A58-I80 HydrophobicContact CB-CD1 4.34Å; L63-I80 HydrophobicContact CB-CB 4.46Å; K78-I80 HydrophobicContact CB-CG2 4.38Å; K78-I80 PolarHBondContact O-N 3.46Å; I80-L83 PolarHBondContact O-N 2.87Å; I80-S84 VanDerWaalsContact O-CB 3.26Å; I80-S84 WeakPolarHBondContact O-CB 3.21Å; I80-S84 PolarHBondContact O-N 2.75Å; I80-S84 PolarHBondContact O-OG 3.22Å; I80-L127 HydrophobicContact CB-CD2 4.11Å; I80-L127 HydrophobicContact CD1-CD2 4.32Å; I80-L127 HydrophobicContact CG1-CD2 3.81Å; I80-L127 HydrophobicContact CG2-CD2 3.48Å; I80-L127 VanDerWaalsContact CG2-CD2 3.48Å; I80-I133 HydrophobicContact CG2-CD1 3.2Å; I80-I133 HydrophobicContact CG2-CG1 4.19Å; I80-I133 HydrophobicContact CG2-CG2 4.32Å
81D91.2Very high89.7Confident3 Ų339.9 Ų39.92%0.01622%0.217CC..Hα-helixtrans-64.7-48.1173.1-55.7-27.1000109V77 K78 K79 L83 S84 N85 L127 S130V77-D81 HydrophobicContact CG1-CB 4.14Å; K78-D81 WeakPolarHBondContact CA-OD2 3.08Å; K78-D81 VanDerWaalsContact CB-OD2 3.25Å; K78-D81 WeakPolarHBondContact CB-OD2 3.44Å; K78-D81 PolarHBondContact N-OD2 3.06Å; K78-D81 WeakPolarHBondContact O-CB 3.43Å; K78-D81 PolarHBondContact O-N 2.85Å; K79-D81 VanDerWaalsContact C-N 3.33Å; D81-L83 PolarHBondContact O-N 3.3Å; D81-S84 PolarHBondContact O-N 3.24Å; D81-N85 WeakPolarHBondContact O-CB 3Å; D81-N85 PolarHBondContact O-N 3.27Å; D81-L127 WeakPolarHBondContact OD1-CD2 3.3Å; D81-S130 VanDerWaalsContact OD1-CB 3.31Å; D81-S130 WeakPolarHBondContact OD1-CB 3.32Å
82I92.2Very high90.6Very high40 Ų4039 Ų3921%0.20521%0.213CC..Hα-helixtrans-57-50.8174.4-62.2-59.9000111.6Y67 V77 K78 S84 N85 E86Y67-I82 HydrophobicContact CD1-CG1 4.2Å; Y67-I82 HydrophobicContact CD2-CG1 4.29Å; Y67-I82 HydrophobicContact CG-CG1 4.07Å; V77-I82 HydrophobicContact CG1-CD1 3.67Å; V77-I82 HydrophobicContact CG1-CG1 3.72Å; K78-I82 PolarHBondContact O-N 3.39Å; I82-S84 VanDerWaalsContact C-N 3.29Å; I82-S84 PolarHBondContact O-N 2.76Å; I82-N85 PolarHBondContact O-N 3.48Å; I82-E86 HydrophobicContact CG2-CG 4.48Å; I82-E86 WeakPolarHBondContact O-CG 3.33Å; I82-E86 PolarHBondContact O-N 3.44Å
83L94.2Very high91.4Very high51 Ų5137.7 Ų37.727%0.26721%0.205SC..Hα-helixtrans-58.6-43.2178.917663.8000111.5A54 L63 K79 I80 D81 L87A54-L83 HydrophobicContact CB-CD2 3.71Å; L63-L83 HydrophobicContact CD1-CD2 4Å; L63-L83 HydrophobicContact CD2-CD2 4.37Å; K79-L83 PolarHBondContact O-N 3.24Å; I80-L83 PolarHBondContact O-N 2.87Å; D81-L83 PolarHBondContact O-N 3.3Å; L83-L87 HydrophobicContact CD1-CD1 4.11Å; L83-L87 HydrophobicContact CD1-CG 4.26Å; L83-L87 HydrophobicContact CG-CD1 4.02Å; L83-L87 WeakPolarHBondContact O-CB 3.33Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 3.44Å
84S96.8Very high92.2Very high0 Ų039.7 Ų39.70%022%0.222CC..Hα-helixtrans-68.1-41.1-178.7-56.50000111.1I80 D81 I82 L87 M88I80-S84 VanDerWaalsContact O-CB 3.26Å; I80-S84 WeakPolarHBondContact O-CB 3.21Å; I80-S84 PolarHBondContact O-N 2.75Å; I80-S84 PolarHBondContact O-OG 3.22Å; D81-S84 PolarHBondContact O-N 3.24Å; I82-S84 VanDerWaalsContact C-N 3.29Å; I82-S84 PolarHBondContact O-N 2.76Å; S84-L87 PolarHBondContact O-N 2.84Å; S84-M88 WeakPolarHBondContact O-CB 3.41Å; S84-M88 VanDerWaalsContact O-CG 3.26Å; S84-M88 WeakPolarHBondContact O-CG 3.18Å; S84-M88 PolarHBondContact O-N 3.07Å
85N97.2Very high92.9Very high8 Ų836.9 Ų36.94%0.04319%0.194CC..Hα-helixtrans-60-52.2174.3-174.758.6000111.3D81 I82 L87 M88 V89 S103 E105 E106 P126D81-N85 WeakPolarHBondContact O-CB 3Å; D81-N85 PolarHBondContact O-N 3.27Å; I82-N85 PolarHBondContact O-N 3.48Å; N85-L87 VanDerWaalsContact C-N 3.34Å; N85-L87 PolarHBondContact O-N 2.9Å; N85-M88 PolarHBondContact O-N 3.19Å; N85-V89 WeakPolarHBondContact O-CB 3.15Å; N85-V89 VanDerWaalsContact O-CG2 3.29Å; N85-V89 WeakPolarHBondContact O-CG2 3.19Å; N85-V89 PolarHBondContact O-N 3.09Å; N85-S103 VanDerWaalsContact OD1-CB 3.25Å; N85-S103 WeakPolarHBondContact OD1-CB 3.21Å; N85-S103 PolarHBondContact OD1-OG 3.44Å; N85-E105 HydrophobicContact CB-CB 4.16Å; N85-E105 HydrophobicContact CB-CG 4.26Å; N85-E106 PolarHBondContact ND2-OE1 3.33Å; N85-P126 HydrophobicContact CB-CB 4.23Å; N85-P126 HydrophobicContact CB-CG 4.04Å
86E97.2Very high93.6Very high106 Ų10640.7 Ų40.750%0.49521%0.21SC..Hα-helixtrans-59.4-42.8179-73.3-177178.700112.4I82 M88 N90I82-E86 HydrophobicContact CG2-CG 4.48Å; I82-E86 WeakPolarHBondContact O-CG 3.33Å; I82-E86 PolarHBondContact O-N 3.44Å; E86-M88 PolarHBondContact O-N 3.08Å; E86-N90 WeakPolarHBondContact O-CB 3.44Å; E86-N90 PolarHBondContact O-N 2.73Å; E86-N90 PolarHBondContact O-ND2 3.41Å
87L98.1Very high94.3Very high36 Ų3636 Ų3619%0.18819%0.185CC..Hα-helixtrans-60.8-44.9176.3-76.1171.1000111.7A50 I51 L83 S84 N85 M91A50-L87 HydrophobicContact CB-CD1 3.81Å; A50-L87 HydrophobicContact CB-CD2 3.92Å; A50-L87 HydrophobicContact CB-CG 4.44Å; I51-L87 HydrophobicContact CG1-CB 4.31Å; I51-L87 HydrophobicContact CG1-CD1 3.79Å; L83-L87 HydrophobicContact CD1-CD1 4.11Å; L83-L87 HydrophobicContact CD1-CG 4.26Å; L83-L87 HydrophobicContact CG-CD1 4.02Å; L83-L87 WeakPolarHBondContact O-CB 3.33Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 3.44Å; S84-L87 PolarHBondContact O-N 2.84Å; N85-L87 VanDerWaalsContact C-N 3.34Å; N85-L87 PolarHBondContact O-N 2.9Å; L87-M91 VanDerWaalsContact O-CB 3.32Å; L87-M91 WeakPolarHBondContact O-CB 3.36Å; L87-M91 WeakPolarHBondContact O-CG 3.37Å; L87-M91 PolarHBondContact O-N 2.87Å; L87-M91 VanDerWaalsContact O-N 3.08Å
88M98.4Very high95Very high0 Ų035.9 Ų35.90%018%0.184CC..Hα-helixtrans-63.7-53.1177.7-71.9-69-75.700111.1I44 A47 I51 S84 N85 E86 N90 M91 I92 F124 P126 T141I44-M88 HydrophobicContact CG2-CE 4.48Å; A47-M88 HydrophobicContact CB-CG 4.33Å; A47-M88 HydrophobicContact CB-SD 3.53Å; A47-M88 VanDerWaalsContact CB-SD 3.53Å; I51-M88 HydrophobicContact CD1-CG 3.93Å; I51-M88 HydrophobicContact CD1-SD 4.19Å; S84-M88 WeakPolarHBondContact O-CB 3.41Å; S84-M88 VanDerWaalsContact O-CG 3.26Å; S84-M88 WeakPolarHBondContact O-CG 3.18Å; S84-M88 PolarHBondContact O-N 3.07Å; N85-M88 PolarHBondContact O-N 3.19Å; E86-M88 PolarHBondContact O-N 3.08Å; M88-N90 VanDerWaalsContact C-N 3.35Å; M88-N90 PolarHBondContact O-N 2.89Å; M88-M91 PolarHBondContact O-N 3.02Å; M88-I92 HydrophobicContact CB-CD1 4.35Å; M88-I92 HydrophobicContact CE-CD1 4.02Å; M88-I92 VanDerWaalsContact O-CB 3.25Å; M88-I92 WeakPolarHBondContact O-CB 3.01Å; M88-I92 WeakPolarHBondContact O-CD1 3.47Å; M88-I92 WeakPolarHBondContact O-CG1 3.33Å; M88-I92 PolarHBondContact O-N 3.25Å; M88-F124 HydrophobicContact CB-CD2 4.05Å; M88-F124 HydrophobicContact CB-CE2 3.62Å; M88-F124 HydrophobicContact CB-CZ 3.92Å; M88-F124 HydrophobicContact CE-CB 3.95Å; M88-F124 HydrophobicContact CE-CD2 4.07Å; M88-F124 HydrophobicContact CE-CG 3.94Å; M88-F124 HydrophobicContact CG-CD2 4.28Å; M88-F124 HydrophobicContact CG-CE2 4.28Å; M88-P126 HydrophobicContact CG-CB 4.37Å; M88-T141 HydrophobicContact CE-CG2 3.76Å; M88-T141 HydrophobicContact SD-CG2 4.05Å
89V97.8Very high95.6Very high22 Ų2235 Ų3513%0.13318%0.18CC..Hα-helixtrans-56.4-47.9-179.41720000111.2N85 S93 M101 I110 F124N85-V89 WeakPolarHBondContact O-CB 3.15Å; N85-V89 VanDerWaalsContact O-CG2 3.29Å; N85-V89 WeakPolarHBondContact O-CG2 3.19Å; N85-V89 PolarHBondContact O-N 3.09Å; V89-S93 WeakPolarHBondContact O-CB 3.4Å; V89-S93 PolarHBondContact O-N 3.45Å; V89-S93 PolarHBondContact O-OG 3.16Å; V89-M101 HydrophobicContact CG1-CE 4.06Å; V89-I110 HydrophobicContact CG1-CD1 4.36Å; V89-I110 HydrophobicContact CG2-CD1 3.55Å; V89-F124 HydrophobicContact CG2-CZ 3.85Å
90N97.3Very high96.1Very high100 Ų10031.2 Ų31.254%0.53516%0.164SC..Hα-helixtrans-67.7-45.7-177.1-71.5-29.2000112.4E86 M88 S94E86-N90 WeakPolarHBondContact O-CB 3.44Å; E86-N90 PolarHBondContact O-N 2.73Å; E86-N90 PolarHBondContact O-ND2 3.41Å; M88-N90 VanDerWaalsContact C-N 3.35Å; M88-N90 PolarHBondContact O-N 2.89Å; N90-S94 WeakPolarHBondContact O-CB 3.26Å; N90-S94 PolarHBondContact O-N 2.92Å; N90-S94 PolarHBondContact O-OG 2.81Å
91M97.4Very high96.4Very high57 Ų5731.2 Ų31.228%0.28116%0.164SC..Hα-helixtrans-69.2-37.1-179.1-66-6617200111.9S43 T46 A47 L87 M88 S94 S95S43-M91 WeakPolarHBondContact CB-O 3.43Å; S43-M91 PolarHBondContact OG-O 3.01Å; T46-M91 HydrophobicContact CG2-CE 4.13Å; T46-M91 HydrophobicContact CG2-SD 3.86Å; A47-M91 HydrophobicContact CB-CB 3.96Å; A47-M91 HydrophobicContact CB-CG 3.92Å; L87-M91 VanDerWaalsContact O-CB 3.32Å; L87-M91 WeakPolarHBondContact O-CB 3.36Å; L87-M91 WeakPolarHBondContact O-CG 3.37Å; L87-M91 PolarHBondContact O-N 2.87Å; L87-M91 VanDerWaalsContact O-N 3.08Å; M88-M91 PolarHBondContact O-N 3.02Å; M91-S94 WeakPolarHBondContact CA-OG 3.45Å; M91-S94 PolarHBondContact O-OG 3Å; M91-S95 PolarHBondContact O-N 3.03Å
92I97.6Very high96.8Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-71-45.3176.9-66.2166.4000110.5L40 I44 M88 S94 S95 T98 M101 V122 F124L40-I92 HydrophobicContact CD1-CG2 4.07Å; I44-I92 HydrophobicContact CG1-CD1 4.2Å; I44-I92 HydrophobicContact CG1-CG1 3.9Å; M88-I92 HydrophobicContact CB-CD1 4.35Å; M88-I92 HydrophobicContact CE-CD1 4.02Å; M88-I92 VanDerWaalsContact O-CB 3.25Å; M88-I92 WeakPolarHBondContact O-CB 3.01Å; M88-I92 WeakPolarHBondContact O-CD1 3.47Å; M88-I92 WeakPolarHBondContact O-CG1 3.33Å; M88-I92 PolarHBondContact O-N 3.25Å; I92-S94 VanDerWaalsContact C-N 3.34Å; I92-S94 PolarHBondContact O-N 3.19Å; I92-S95 WeakPolarHBondContact O-CB 3.13Å; I92-S95 PolarHBondContact O-N 3.17Å; I92-S95 VanDerWaalsContact O-N 3.09Å; I92-S95 PolarHBondContact O-OG 3.02Å; I92-T98 HydrophobicContact CG2-CG2 3.46Å; I92-T98 VanDerWaalsContact CG2-CG2 3.46Å; I92-T98 PolarHBondContact O-OG1 3.35Å; I92-M101 HydrophobicContact CB-SD 3.72Å; I92-M101 HydrophobicContact CD1-SD 4.48Å; I92-M101 HydrophobicContact CG2-CG 4.06Å; I92-M101 HydrophobicContact CG2-SD 3.4Å; I92-M101 WeakPolarHBondContact CG2-SD 3.23Å; I92-V122 HydrophobicContact CD1-CG1 4Å; I92-V122 HydrophobicContact CG2-CB 4.46Å; I92-V122 HydrophobicContact CG2-CG2 4.12Å; I92-F124 HydrophobicContact CD1-CD1 4.07Å; I92-F124 HydrophobicContact CD1-CE1 4.01Å
93S96Very high97Very high28 Ų2829.2 Ų29.220%0.19615%0.153CC..Hα-helixtrans-61.8-42.1178.6-59.40000112V89 S95 F96 M101V89-S93 WeakPolarHBondContact O-CB 3.4Å; V89-S93 PolarHBondContact O-N 3.45Å; V89-S93 PolarHBondContact O-OG 3.16Å; S93-S95 PolarHBondContact O-N 3.05Å; S93-S95 VanDerWaalsContact O-N 3.16Å; S93-F96 PolarHBondContact O-N 3.38Å; S93-M101 VanDerWaalsContact OG-CE 3.26Å; S93-M101 WeakPolarHBondContact OG-CE 3.4Å
94S94.8Very high97.1Very high66 Ų6627.3 Ų27.346%0.46214%0.143SC..THydrogen-bonded Turntrans-72.8-0.5177.759.10000114.1N90 M91 I92 F96N90-S94 WeakPolarHBondContact O-CB 3.26Å; N90-S94 PolarHBondContact O-N 2.92Å; N90-S94 PolarHBondContact O-OG 2.81Å; M91-S94 WeakPolarHBondContact CA-OG 3.45Å; M91-S94 PolarHBondContact O-OG 3Å; I92-S94 VanDerWaalsContact C-N 3.34Å; I92-S94 PolarHBondContact O-N 3.19Å; S94-F96 VanDerWaalsContact C-N 3.3Å; S94-F96 WeakPolarHBondContact O-CD2 3.32Å; S94-F96 WeakPolarHBondContact O-CE2 3.47Å
95S95.7Very high97Very high0 Ų028.6 Ų28.60%015%0.149CC..THydrogen-bonded Turntrans-75.4-16.4173.776.40000113.5N39 S43 M91 I92 S93 T97N39-S95 PolarHBondContact ND2-O 3.25Å; S43-S95 VanDerWaalsContact OG-CB 3.28Å; S43-S95 WeakPolarHBondContact OG-CB 3.36Å; M91-S95 PolarHBondContact O-N 3.03Å; I92-S95 WeakPolarHBondContact O-CB 3.13Å; I92-S95 PolarHBondContact O-N 3.17Å; I92-S95 VanDerWaalsContact O-N 3.09Å; I92-S95 PolarHBondContact O-OG 3.02Å; S93-S95 PolarHBondContact O-N 3.05Å; S93-S95 VanDerWaalsContact O-N 3.16Å; S95-T97 WeakPolarHBondContact O-CG2 3.32Å; S95-T97 PolarHBondContact O-N 2.97Å; S95-T97 PolarHBondContact OG-N 2.84Å; S95-T97 PolarHBondContact OG-OG1 3.48Å
96F95.4Very high96.9Very high129 Ų12931.6 Ų31.657%0.56616%0.163SC*.THydrogen-bonded Turntrans56.624.8-173-60.3-101.4000114.1S93 S94 T116S93-F96 PolarHBondContact O-N 3.38Å; S94-F96 VanDerWaalsContact C-N 3.3Å; S94-F96 WeakPolarHBondContact O-CD2 3.32Å; S94-F96 WeakPolarHBondContact O-CE2 3.47Å; F96-T116 WeakPolarHBondContact CA-O 3.49Å; F96-T116 HydrophobicContact CD1-CG2 3.92Å; F96-T116 HydrophobicContact CE1-CG2 3.57Å; F96-T116 HydrophobicContact CZ-CG2 4.23Å
97T96.4Very high96.8Very high3 Ų330.4 Ų30.42%0.01816%0.163CC..  trans-123.8-10.5-172.168.30000113.4E36 N39 L40 S95 G118 K119 Y120E36-T97 HydrophobicContact CB-CG2 3.87Å; E36-T97 HydrophobicContact CG-CG2 4.18Å; E36-T97 WeakPolarHBondContact O-CG2 3.33Å; N39-T97 HydrophobicContact CB-CG2 4.18Å; L40-T97 VanDerWaalsContact CB-OG1 3.32Å; L40-T97 WeakPolarHBondContact CB-OG1 3.35Å; S95-T97 WeakPolarHBondContact O-CG2 3.32Å; S95-T97 PolarHBondContact O-N 2.97Å; S95-T97 PolarHBondContact OG-N 2.84Å; S95-T97 PolarHBondContact OG-OG1 3.48Å; T97-G118 CarbonylContact O-C 3.46Å; T97-G118 VanDerWaalsContact O-C 3.28Å; T97-G118 WeakPolarHBondContact O-CA 3.05Å; T97-K119 PolarHBondContact O-N 3.14Å; T97-Y120 VanDerWaalsContact O-CD2 3.27Å; T97-Y120 WeakPolarHBondContact O-CD2 3.44Å; T97-Y120 PolarHBondContact O-N 3.44Å
98T97.4Very high96.7Very high0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-112.2148.2-175.855.40000111.7L40 I92 Q117 G118 Y120 V122L40-T98 HydrophobicContact CD1-CG2 3.54Å; L40-T98 HydrophobicContact CD2-CG2 4.04Å; L40-T98 HydrophobicContact CG-CG2 4.43Å; I92-T98 HydrophobicContact CG2-CG2 3.46Å; I92-T98 VanDerWaalsContact CG2-CG2 3.46Å; I92-T98 PolarHBondContact O-OG1 3.35Å; T98-Q117 WeakPolarHBondContact O-CA 3.33Å; T98-G118 PolarHBondContact O-N 3.29Å; T98-Y120 CarbonylContact C-O 3.58Å; T98-Y120 WeakPolarHBondContact CA-O 3.48Å; T98-V122 HydrophobicContact CG2-CG2 3.52Å
99C97.3Very high96.6Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans-110.7-37.6174.357.20000112.7V112 Q117 G118 Y120 P154C99-V112 PolarHBondContact O-N 3.43Å; C99-Q117 HydrophobicContact CB-CB 4.4Å; C99-Q117 HydrophobicContact CB-CG 4.31Å; C99-G118 VanDerWaalsContact CB-O 3.31Å; C99-G118 WeakPolarHBondContact CB-O 3.47Å; C99-Y120 PolarHBondContact N-O 2.95Å; C99-Y120 PolarHBondContact SG-O 2.9Å; C99-Y120 VanDerWaalsContact SG-O 3.34Å; C99-P154 HydrophobicContact CB-CB 4.15Å; C99-P154 HydrophobicContact CB-CG 3.59Å
100L98Very high96.6Very high6 Ų636.8 Ų36.83%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-132.9146.8-179.8-60.1174.2000109.9V109 I110 E111 V121 V122 P154 N155 D158 V159L100-V109 HydrophobicContact CB-CG1 3.91Å; L100-V109 HydrophobicContact CD1-CG1 4.42Å; L100-V109 HydrophobicContact CD2-CG1 3.82Å; L100-V109 HydrophobicContact CG-CG1 4.26Å; L100-I110 WeakPolarHBondContact CA-O 3.47Å; L100-E111 HydrophobicContact CD2-CB 4.09Å; L100-E111 HydrophobicContact CD2-CG 4.01Å; L100-V121 HydrophobicContact CB-CG1 4.11Å; L100-V121 HydrophobicContact CB-CG2 4.06Å; L100-V121 HydrophobicContact CD1-CG2 4.43Å; L100-V121 WeakPolarHBondContact O-CA 3.47Å; L100-V122 PolarHBondContact O-N 2.93Å; L100-P154 HydrophobicContact CD1-CB 3.71Å; L100-P154 HydrophobicContact CD2-CB 3.79Å; L100-P154 HydrophobicContact CG-CB 3.62Å; L100-N155 VanDerWaalsContact CD1-O 3.31Å; L100-N155 WeakPolarHBondContact CD1-O 3.43Å; L100-D158 HydrophobicContact CD1-CB 3.96Å; L100-V159 HydrophobicContact CB-CG2 4.08Å; L100-V159 HydrophobicContact CD1-CG2 3.74Å
101M98.4Very high96.6Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-131.1149169.7-56.9171.6-71.800111.5V89 I92 S93 V109 I110 V112 V122 F124V89-M101 HydrophobicContact CG1-CE 4.06Å; I92-M101 HydrophobicContact CB-SD 3.72Å; I92-M101 HydrophobicContact CD1-SD 4.48Å; I92-M101 HydrophobicContact CG2-CG 4.06Å; I92-M101 HydrophobicContact CG2-SD 3.4Å; I92-M101 WeakPolarHBondContact CG2-SD 3.23Å; S93-M101 VanDerWaalsContact OG-CE 3.26Å; S93-M101 WeakPolarHBondContact OG-CE 3.4Å; M101-V109 WeakPolarHBondContact O-CG1 3.42Å; M101-I110 HydrophobicContact CB-CB 4.2Å; M101-I110 HydrophobicContact CB-CD1 4.36Å; M101-I110 HydrophobicContact CE-CB 4.01Å; M101-I110 HydrophobicContact CE-CD1 4.36Å; M101-I110 HydrophobicContact CE-CG2 3.55Å; M101-I110 PolarHBondContact N-O 3.01Å; M101-I110 PolarHBondContact O-N 3.22Å; M101-V112 HydrophobicContact CE-CG2 3.9Å; M101-V122 CarbonylContact C-O 3.39Å; M101-V122 WeakPolarHBondContact CA-O 3.37Å; M101-V122 HydrophobicContact CG-CB 4.44Å; M101-F124 HydrophobicContact CB-CE1 4.05Å; M101-F124 HydrophobicContact SD-CE1 4.42Å
102V98.5Very high96.4Very high1 Ų134.5 Ų34.51%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-125.3124.3167.9-178.40000108.2V109 V122 V123 F124 V159 Y287 I318V102-V109 HydrophobicContact CG2-CG2 4.27Å; V102-V122 PolarHBondContact N-O 3.34Å; V102-V123 HydrophobicContact CB-CB 4.42Å; V102-V123 HydrophobicContact CB-CG1 4.02Å; V102-V123 HydrophobicContact CG2-CG1 4.24Å; V102-V123 CarbonylContact O-C 3.58Å; V102-V123 WeakPolarHBondContact O-CA 3.49Å; V102-F124 PolarHBondContact O-N 2.84Å; V102-V159 HydrophobicContact CG2-CB 4.43Å; V102-V159 HydrophobicContact CG2-CG1 3.36Å; V102-V159 HydrophobicContact CG2-CG2 4.18Å; V102-Y287 HydrophobicContact CG1-CD1 3.98Å; V102-Y287 HydrophobicContact CG1-CE1 4Å; V102-I318 HydrophobicContact CG1-CB 4.1Å; V102-I318 HydrophobicContact CG2-CB 4.44Å; V102-I318 HydrophobicContact CG2-CG2 4.37Å
103S98Very high96.1Very high0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-110151.5172.1-177.20000109.4N85 E105 E106 F124N85-S103 VanDerWaalsContact OD1-CB 3.25Å; N85-S103 WeakPolarHBondContact OD1-CB 3.21Å; N85-S103 PolarHBondContact OD1-OG 3.44Å; S103-E105 PolarHBondContact O-N 2.97Å; S103-E105 PolarHBondContact OG-N 3.39Å; S103-E106 PolarHBondContact O-N 3.34Å; S103-F124 WeakPolarHBondContact CA-O 3.38Å; S103-F124 WeakPolarHBondContact OG-CE2 3.32Å
104E96.3Very high95.7Very high11 Ų1144.7 Ų44.75%0.05123%0.233CC..THydrogen-bonded Turntrans-57.8-35.9165.3-178.1167.2-16600112.5Q73 E106 F124 D125 R284 Y287Q73-E104 HydrophobicContact CG-CG 4.43Å; E104-E106 VanDerWaalsContact C-N 3.3Å; E104-E106 PolarHBondContact O-N 3.3Å; E104-F124 PolarHBondContact N-O 2.96Å; E104-D125 VanDerWaalsContact OE2-CG 3.3Å; E104-R284 IonicContact OE1-CZ 3.87Å; E104-R284 IonicContact OE1-NE 3.37Å; E104-R284 IonicContact OE1-NH1 3.92Å; E104-R284 PolarHBondContact OE1-NH1 2.8Å; E104-Y287 HydrophobicContact CB-CD2 3.99Å; E104-Y287 HydrophobicContact CB-CE2 3.47Å; E104-Y287 VanDerWaalsContact CB-CE2 3.47Å; E104-Y287 HydrophobicContact CG-CE2 3.74Å
105E94.1Very high95.3Very high28 Ų2846.5 Ų46.513%0.13125%0.246CC..THydrogen-bonded Turntrans-82.9-6.2-172.8-60.7-54.3146.700113.7N85 S103 P126N85-E105 HydrophobicContact CB-CB 4.16Å; N85-E105 HydrophobicContact CB-CG 4.26Å; S103-E105 PolarHBondContact O-N 2.97Å; S103-E105 PolarHBondContact OG-N 3.39Å; E105-P126 HydrophobicContact CG-CG 3.72Å
106E95.5Very high94.9Very high70 Ų7048 Ų4833%0.32726%0.255SS..  trans-112129.2-175.2-65.8-70169.800111N85 S103 E104 N108 I110 H319N85-E106 PolarHBondContact ND2-OE1 3.33Å; S103-E106 PolarHBondContact O-N 3.34Å; E104-E106 VanDerWaalsContact C-N 3.3Å; E104-E106 PolarHBondContact O-N 3.3Å; E106-N108 VanDerWaalsContact C-N 3.27Å; E106-N108 PolarHBondContact O-N 3.15Å; E106-I110 HydrophobicContact CB-CD1 4.36Å; E106-I110 HydrophobicContact CB-CG1 4.33Å; E106-I110 HydrophobicContact CG-CD1 3.69Å; E106-I110 HydrophobicContact CG-CG1 4.07Å; E106-H319 PolarHBondContact O-CE1 2.97Å; E106-H319 PolarHBondContact O-NE2 3.4Å
107T94.3Very high94.7Very high81 Ų8144.4 Ų44.450%0.49724%0.24SC..SBendtrans-63.6-33.1-179.9-53.20000113.8V72 H319V72-T107 VanDerWaalsContact CG1-CB 3.45Å; V72-T107 HydrophobicContact CG1-CG2 3.71Å; V72-T107 WeakPolarHBondContact CG1-OG1 3.38Å; T107-H319 PolarHBondContact O-NE2 3.36Å
108N96.2Very high94.6Very high117 Ų11745.2 Ų45.263%0.62625%0.248SC*.SBendtrans-125.1161.1-171.4-61.6-60.7000109.4E106 I110E106-N108 VanDerWaalsContact C-N 3.27Å; E106-N108 PolarHBondContact O-N 3.15Å; N108-I110 PolarHBondContact O-N 3.01Å
109V97.2Very high94.5Very high41 Ų4147.6 Ų47.625%0.24826%0.259CS..  trans-59131.5168.5-176.50000109.1L100 M101 V102 E111 L156 V159 I318L100-V109 HydrophobicContact CB-CG1 3.91Å; L100-V109 HydrophobicContact CD1-CG1 4.42Å; L100-V109 HydrophobicContact CD2-CG1 3.82Å; L100-V109 HydrophobicContact CG-CG1 4.26Å; M101-V109 WeakPolarHBondContact O-CG1 3.42Å; V102-V109 HydrophobicContact CG2-CG2 4.27Å; V109-E111 PolarHBondContact O-N 3.07Å; V109-L156 HydrophobicContact CG2-CD1 3.88Å; V109-V159 HydrophobicContact CG1-CG2 4.06Å; V109-V159 HydrophobicContact CG2-CG2 4.33Å; V109-I318 HydrophobicContact CG2-CD1 4.07Å; V109-I318 HydrophobicContact CG2-CG2 3.88Å
110I97.3Very high94.6Very high35 Ų3548.5 Ų48.518%0.17926%0.262CS..EExtended strand (participates in β ladder)trans-84.8110.5173.4-52.7164.5000107.7V89 L100 M101 E106 N108V89-I110 HydrophobicContact CG1-CD1 4.36Å; V89-I110 HydrophobicContact CG2-CD1 3.55Å; L100-I110 WeakPolarHBondContact CA-O 3.47Å; M101-I110 HydrophobicContact CB-CB 4.2Å; M101-I110 HydrophobicContact CB-CD1 4.36Å; M101-I110 HydrophobicContact CE-CB 4.01Å; M101-I110 HydrophobicContact CE-CD1 4.36Å; M101-I110 HydrophobicContact CE-CG2 3.55Å; M101-I110 PolarHBondContact N-O 3.01Å; M101-I110 PolarHBondContact O-N 3.22Å; E106-I110 HydrophobicContact CB-CD1 4.36Å; E106-I110 HydrophobicContact CB-CG1 4.33Å; E106-I110 HydrophobicContact CG-CD1 3.69Å; E106-I110 HydrophobicContact CG-CG1 4.07Å; N108-I110 PolarHBondContact O-N 3.01Å
111E96.4Very high94.6Very high103 Ų10348.2 Ų48.248%0.48126%0.261SS..EExtended strand (participates in β ladder)trans-85120.9172.5-170.8177.1167.400110.1L100 V109 Q117L100-E111 HydrophobicContact CD2-CB 4.09Å; L100-E111 HydrophobicContact CD2-CG 4.01Å; V109-E111 PolarHBondContact O-N 3.07Å; E111-Q117 PolarHBondContact OE1-NE2 2.83Å
112V94.1Very high94.6Very high5 Ų548.2 Ų48.23%0.0326%0.261CS..PPolyproline II helixtrans-67.9140.6175.31750000108.9C99 M101 K114 T116 Q117C99-V112 PolarHBondContact O-N 3.43Å; M101-V112 HydrophobicContact CE-CG2 3.9Å; V112-K114 PolarHBondContact O-N 2.87Å; V112-T116 WeakPolarHBondContact CG1-OG1 3.39Å; V112-Q117 HydrophobicContact CB-CG 4.2Å; V112-Q117 HydrophobicContact CG1-CG 4.3Å; V112-Q117 VanDerWaalsContact O-CG 3.28Å; V112-Q117 WeakPolarHBondContact O-CG 3.3Å; V112-Q117 PolarHBondContact O-NE2 3.44Å
113T90.4Very high94.6Very high99 Ų9948.1 Ų48.161%0.60726%0.261SS*.PPolyproline II helixtrans-55.6136.1179.5-57.30000111S115 T116 Q117T113-S115 PolarHBondContact O-N 3.2Å; T113-T116 CarbonylContact O-C 3.59Å; T113-T116 PolarHBondContact O-N 2.8Å; T113-T116 PolarHBondContact O-OG1 3.02Å; T113-Q117 PolarHBondContact O-N 2.94Å
114K87.2Confident94.6Very high143 Ų14348.1 Ų48.162%0.62226%0.261SS*.G310 helixtrans-49.8-37.1-173.3-62.5-165.5-172.3-160.60114.6V112 T116 Q117 M153V112-K114 PolarHBondContact O-N 2.87Å; K114-T116 PolarHBondContact O-N 2.94Å; K114-Q117 PolarHBondContact O-N 3Å; K114-M153 HydrophobicContact CD-CE 4Å; K114-M153 HydrophobicContact CD-SD 4.33Å; K114-M153 HydrophobicContact CG-CE 4.29Å; K114-M153 PolarHBondContact NZ-SD 3.36Å
115S87.3Confident94.7Very high105 Ų10547.7 Ų47.773%0.73426%0.259SS*.G310 helixtrans-68.3-17.3179.451.60000114.3T113T113-S115 PolarHBondContact O-N 3.2Å
116T86.6Confident94.9Very high32 Ų3246.4 Ų46.420%0.19625%0.252CS..G310 helixtrans-117.25.9-177.254.60000112.5F96 V112 T113 K114F96-T116 WeakPolarHBondContact CA-O 3.49Å; F96-T116 HydrophobicContact CD1-CG2 3.92Å; F96-T116 HydrophobicContact CE1-CG2 3.57Å; F96-T116 HydrophobicContact CZ-CG2 4.23Å; V112-T116 WeakPolarHBondContact CG1-OG1 3.39Å; T113-T116 CarbonylContact O-C 3.59Å; T113-T116 PolarHBondContact O-N 2.8Å; T113-T116 PolarHBondContact O-OG1 3.02Å; K114-T116 PolarHBondContact O-N 2.94Å
117Q92.3Very high94.9Very high52 Ų5243.3 Ų43.324%0.24324%0.238CC..  trans-69.6139.4-177.7-76-176.4-7.800111.8T98 C99 E111 V112 T113 K114T98-Q117 WeakPolarHBondContact O-CA 3.33Å; C99-Q117 HydrophobicContact CB-CB 4.4Å; C99-Q117 HydrophobicContact CB-CG 4.31Å; E111-Q117 PolarHBondContact OE1-NE2 2.83Å; V112-Q117 HydrophobicContact CB-CG 4.2Å; V112-Q117 HydrophobicContact CG1-CG 4.3Å; V112-Q117 VanDerWaalsContact O-CG 3.28Å; V112-Q117 WeakPolarHBondContact O-CG 3.3Å; V112-Q117 PolarHBondContact O-NE2 3.44Å; T113-Q117 PolarHBondContact O-N 2.94Å; K114-Q117 PolarHBondContact O-N 3Å
118G94.3Very high95Very high20 Ų2040 Ų4021%0.20622%0.217CC..  trans-122.1-158.4165.600000112.8T97 T98 C99T97-G118 CarbonylContact O-C 3.46Å; T97-G118 VanDerWaalsContact O-C 3.28Å; T97-G118 WeakPolarHBondContact O-CA 3.05Å; T98-G118 PolarHBondContact O-N 3.29Å; C99-G118 VanDerWaalsContact CB-O 3.31Å; C99-G118 WeakPolarHBondContact CB-O 3.47Å
119K95.3Very high94.9Very high50 Ų5034.9 Ų34.922%0.21719%0.193CC..SBendtrans-100.35.1-169.167.9-166.4174.3-141.30115.6T34 E36 T97 K148T34-K119 PolarHBondContact OG1-NZ 2.84Å; T34-K119 VanDerWaalsContact OG1-NZ 3.17Å; E36-K119 IonicContact OE1-NZ 3.91Å; E36-K119 PolarHBondContact OE1-NZ 2.85Å; E36-K119 VanDerWaalsContact OE2-CD 3.3Å; E36-K119 WeakPolarHBondContact OE2-CD 3.5Å; E36-K119 WeakPolarHBondContact OE2-CE 3.23Å; E36-K119 IonicContact OE2-NZ 3.05Å; E36-K119 PolarHBondContact OE2-NZ 3.28Å; T97-K119 PolarHBondContact O-N 3.14Å; K119-K148 WeakPolarHBondContact O-CB 3.2Å; K119-K148 PolarHBondContact O-N 3.49Å
120Y97.9Very high94.2Very high19 Ų1934.2 Ų34.28%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-110.5150.5-177.2-58.9-62.3000112.9E36 F37 L40 T97 T98 C99 I145 Y146 L167E36-Y120 HydrophobicContact CB-CE2 4.12Å; F37-Y120 HydrophobicContact CB-CE2 4.12Å; F37-Y120 WeakPolarHBondContact CB-OH 3.38Å; F37-Y120 AromaticContact CD2-CE1 3.97Å; F37-Y120 HydrophobicContact CD2-CE1 3.97Å; F37-Y120 HydrophobicContact CD2-CE2 4.27Å; F37-Y120 AromaticContact CD2-CZ 3.84Å; L40-Y120 HydrophobicContact CD2-CD2 3.73Å; L40-Y120 HydrophobicContact CD2-CG 3.84Å; T97-Y120 VanDerWaalsContact O-CD2 3.27Å; T97-Y120 WeakPolarHBondContact O-CD2 3.44Å; T97-Y120 PolarHBondContact O-N 3.44Å; T98-Y120 CarbonylContact C-O 3.58Å; T98-Y120 WeakPolarHBondContact CA-O 3.48Å; C99-Y120 PolarHBondContact N-O 2.95Å; C99-Y120 PolarHBondContact SG-O 2.9Å; C99-Y120 VanDerWaalsContact SG-O 3.34Å; Y120-I145 HydrophobicContact CD1-CG2 4.07Å; Y120-I145 HydrophobicContact CG-CG2 4.23Å; Y120-Y146 WeakPolarHBondContact CA-O 3.39Å; Y120-L167 HydrophobicContact CD1-CD1 3.85Å; Y120-L167 HydrophobicContact CE1-CD1 3.57Å
121V98.5Very high93.7Very high0 Ų036.5 Ų36.50%021%0.209CC..EExtended strand (participates in β ladder)trans-113.8133.2168.9175.20000107.6L100 I145 Y146 D158 V159L100-V121 HydrophobicContact CB-CG1 4.11Å; L100-V121 HydrophobicContact CB-CG2 4.06Å; L100-V121 HydrophobicContact CD1-CG2 4.43Å; L100-V121 WeakPolarHBondContact O-CA 3.47Å; V121-I145 WeakPolarHBondContact O-CA 3.4Å; V121-Y146 PolarHBondContact N-O 3.38Å; V121-Y146 PolarHBondContact O-N 3.13Å; V121-D158 HydrophobicContact CG2-CB 4.1Å; V121-V159 HydrophobicContact CG1-CG2 3.84Å
122V98.7Very high93.4Very high0 Ų032.7 Ų32.70%019%0.191CC..EExtended strand (participates in β ladder)trans-119.8124.2-178.7-171.70000110.3L40 I44 I92 T98 L100 M101 V102 F124 G144 I145L40-V122 HydrophobicContact CD1-CG2 4.09Å; L40-V122 HydrophobicContact CD2-CG2 4.01Å; I44-V122 HydrophobicContact CD1-CG1 4.44Å; I92-V122 HydrophobicContact CD1-CG1 4Å; I92-V122 HydrophobicContact CG2-CB 4.46Å; I92-V122 HydrophobicContact CG2-CG2 4.12Å; T98-V122 HydrophobicContact CG2-CG2 3.52Å; L100-V122 PolarHBondContact O-N 2.93Å; M101-V122 CarbonylContact C-O 3.39Å; M101-V122 WeakPolarHBondContact CA-O 3.37Å; M101-V122 HydrophobicContact CG-CB 4.44Å; V102-V122 PolarHBondContact N-O 3.34Å; V122-F124 HydrophobicContact CG1-CD1 4.12Å; V122-G144 WeakPolarHBondContact CA-O 2.93Å; V122-I145 HydrophobicContact CG2-CG1 4.39Å
123V98.8Very high93.1Very high0 Ų032.8 Ų32.80%019%0.192CC..EExtended strand (participates in β ladder)trans-108.5134.3172.7-58.10000107.9V102 F143 G144 Y146 L286V102-V123 HydrophobicContact CB-CB 4.42Å; V102-V123 HydrophobicContact CB-CG1 4.02Å; V102-V123 HydrophobicContact CG2-CG1 4.24Å; V102-V123 CarbonylContact O-C 3.58Å; V102-V123 WeakPolarHBondContact O-CA 3.49Å; V123-F143 CarbonylContact O-C 3.54Å; V123-F143 VanDerWaalsContact O-CA 3.29Å; V123-F143 WeakPolarHBondContact O-CA 3.46Å; V123-G144 PolarHBondContact N-O 3.23Å; V123-G144 PolarHBondContact O-N 2.88Å; V123-Y146 HydrophobicContact CG1-CD2 4.4Å; V123-Y146 HydrophobicContact CG1-CE2 4.2Å; V123-Y146 HydrophobicContact CG2-CD2 4.45Å; V123-Y146 HydrophobicContact CG2-CE2 3.91Å; V123-L286 HydrophobicContact CB-CB 4.41Å; V123-L286 HydrophobicContact CG1-CB 4.34Å; V123-L286 WeakPolarHBondContact CG2-O 3.46Å
124F98.7Very high93Very high0 Ų031.8 Ų31.80%018%0.183CC..EExtended strand (participates in β ladder)trans-151.3149.1-177.561.1-91.4000113.3M88 V89 I92 M101 V102 S103 E104 V122 P126 I142 F143 Y287M88-F124 HydrophobicContact CB-CD2 4.05Å; M88-F124 HydrophobicContact CB-CE2 3.62Å; M88-F124 HydrophobicContact CB-CZ 3.92Å; M88-F124 HydrophobicContact CE-CB 3.95Å; M88-F124 HydrophobicContact CE-CD2 4.07Å; M88-F124 HydrophobicContact CE-CG 3.94Å; M88-F124 HydrophobicContact CG-CD2 4.28Å; M88-F124 HydrophobicContact CG-CE2 4.28Å; V89-F124 HydrophobicContact CG2-CZ 3.85Å; I92-F124 HydrophobicContact CD1-CD1 4.07Å; I92-F124 HydrophobicContact CD1-CE1 4.01Å; M101-F124 HydrophobicContact CB-CE1 4.05Å; M101-F124 HydrophobicContact SD-CE1 4.42Å; V102-F124 PolarHBondContact O-N 2.84Å; S103-F124 WeakPolarHBondContact CA-O 3.38Å; S103-F124 WeakPolarHBondContact OG-CE2 3.32Å; E104-F124 PolarHBondContact N-O 2.96Å; V122-F124 HydrophobicContact CG1-CD1 4.12Å; F124-P126 HydrophobicContact CD2-CB 4.17Å; F124-P126 HydrophobicContact CD2-CG 4.49Å; F124-P126 HydrophobicContact CE2-CB 4.23Å; F124-P126 HydrophobicContact CE2-CG 4.48Å; F124-I142 CarbonylContact C-O 3.59Å; F124-I142 WeakPolarHBondContact CA-O 3.4Å; F124-I142 WeakPolarHBondContact CB-O 3.25Å; F124-F143 HydrophobicContact CB-CB 4.11Å; F124-Y287 VanDerWaalsContact C-CB 3.43Å
125D98.1Very high93.2Very high2 Ų229.2 Ų29.21%0.01118%0.182CC..EExtended strand (participates in β ladder)trans-101.2111.9160170.9-3.9000105.7E104 L127 D128 T141 I142 Y287E104-D125 VanDerWaalsContact OE2-CG 3.3Å; D125-L127 VanDerWaalsContact C-N 3.25Å; D125-L127 PolarHBondContact O-N 3.14Å; D125-L127 PolarHBondContact OD1-N 2.78Å; D125-D128 PolarHBondContact OD1-N 3.41Å; D125-D128 WeakPolarHBondContact OD2-CA 3.49Å; D125-D128 VanDerWaalsContact OD2-CB 3.22Å; D125-D128 WeakPolarHBondContact OD2-CB 3.37Å; D125-D128 PolarHBondContact OD2-N 3.03Å; D125-T141 CarbonylContact O-C 3.56Å; D125-T141 WeakPolarHBondContact O-CA 3.29Å; D125-T141 WeakPolarHBondContact O-CG2 3.4Å; D125-I142 HydrophobicContact CB-CB 4.14Å; D125-I142 HydrophobicContact CB-CD1 4.45Å; D125-I142 HydrophobicContact CB-CG1 4.3Å; D125-I142 PolarHBondContact N-O 3.06Å; D125-I142 PolarHBondContact O-N 2.91Å; D125-Y287 HydrophobicContact CB-CD2 4.27Å
126P97.6Very high93.4Very high0 Ų028.9 Ų28.90%018%0.178CC..EExtended strand (participates in β ladder)trans-65.5-30.1-176.727.5-32.7000112.2N85 M88 E105 F124 T141N85-P126 HydrophobicContact CB-CB 4.23Å; N85-P126 HydrophobicContact CB-CG 4.04Å; M88-P126 HydrophobicContact CG-CB 4.37Å; E105-P126 HydrophobicContact CG-CG 3.72Å; F124-P126 HydrophobicContact CD2-CB 4.17Å; F124-P126 HydrophobicContact CD2-CG 4.49Å; F124-P126 HydrophobicContact CE2-CB 4.23Å; F124-P126 HydrophobicContact CE2-CG 4.48Å; P126-T141 PolarHBondContact O-OG1 3Å
127L96.4Very high93.7Very high5 Ų528.6 Ų28.63%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-153.578.9-176.4-155.565.9000114.5I51 V55 I80 D81 D125 I133 I139 G140 Y174I51-L127 HydrophobicContact CG2-CD1 4.08Å; V55-L127 HydrophobicContact CG2-CD1 4.4Å; I80-L127 HydrophobicContact CB-CD2 4.11Å; I80-L127 HydrophobicContact CD1-CD2 4.32Å; I80-L127 HydrophobicContact CG1-CD2 3.81Å; I80-L127 HydrophobicContact CG2-CD2 3.48Å; I80-L127 VanDerWaalsContact CG2-CD2 3.48Å; D81-L127 WeakPolarHBondContact OD1-CD2 3.3Å; D125-L127 VanDerWaalsContact C-N 3.25Å; D125-L127 PolarHBondContact O-N 3.14Å; D125-L127 PolarHBondContact OD1-N 2.78Å; L127-I133 HydrophobicContact CD2-CD1 3.75Å; L127-I139 HydrophobicContact CD1-CD1 3.92Å; L127-I139 HydrophobicContact CD1-CG1 4.41Å; L127-I139 HydrophobicContact CD2-CD1 4.36Å; L127-I139 HydrophobicContact CG-CD1 4.27Å; L127-G140 CarbonylContact C-O 3.52Å; L127-G140 WeakPolarHBondContact CA-O 3.08Å; L127-Y174 HydrophobicContact CD1-CD2 4.13Å; L127-Y174 HydrophobicContact CD1-CE2 3.92Å
128D96.5Very high93.9Very high12 Ų1227.9 Ų27.96%0.06418%0.183CC..EExtended strand (participates in β ladder)trans-60.4139.5172.516861.5000111.5D125 I139 G140 I142 S255 M256 V257D125-D128 PolarHBondContact OD1-N 3.41Å; D125-D128 WeakPolarHBondContact OD2-CA 3.49Å; D125-D128 VanDerWaalsContact OD2-CB 3.22Å; D125-D128 WeakPolarHBondContact OD2-CB 3.37Å; D125-D128 PolarHBondContact OD2-N 3.03Å; D128-I139 WeakPolarHBondContact O-CA 3.38Å; D128-I139 VanDerWaalsContact O-CB 3.24Å; D128-I139 WeakPolarHBondContact O-CB 3.37Å; D128-G140 PolarHBondContact N-O 3.46Å; D128-G140 PolarHBondContact O-N 3.37Å; D128-I142 HydrophobicContact CB-CD1 4.04Å; D128-I142 HydrophobicContact CB-CG1 4.21Å; D128-S255 PolarHBondContact OD2-OG 2.93Å; D128-M256 WeakPolarHBondContact OD1-CB 3.45Å; D128-M256 PolarHBondContact OD1-N 3.17Å; D128-M256 PolarHBondContact OD2-N 2.8Å; D128-V257 HydrophobicContact CB-CG2 3.66Å; D128-V257 WeakPolarHBondContact OD2-CB 3.44Å; D128-V257 VanDerWaalsContact OD2-CG2 3.27Å; D128-V257 WeakPolarHBondContact OD2-CG2 3.28Å; D128-V257 PolarHBondContact OD2-N 3.02Å
129G92.4Very high94.1Very high10 Ų1027.1 Ų27.110%0.10317%0.174CC..THydrogen-bonded Turntrans78.325.7174.100000112.5S131 N132 I139G129-S131 PolarHBondContact O-N 2.7Å; G129-N132 WeakPolarHBondContact O-CB 3.2Å; G129-N132 PolarHBondContact O-N 2.9Å; G129-I139 WeakPolarHBondContact O-CG2 3.32Å
130S83.5Confident94.2Very high26 Ų2624.8 Ų24.818%0.18216%0.163CC..G310 helixtrans-49-33-178.668.90000113.5K78 D81 N132 I133K78-S130 WeakPolarHBondContact CD-O 3.49Å; K78-S130 VanDerWaalsContact CE-O 3.22Å; K78-S130 WeakPolarHBondContact CE-O 3.46Å; K78-S130 PolarHBondContact NZ-O 2.71Å; D81-S130 VanDerWaalsContact OD1-CB 3.31Å; D81-S130 WeakPolarHBondContact OD1-CB 3.32Å; S130-N132 PolarHBondContact O-N 3.18Å; S130-N132 VanDerWaalsContact O-N 3.08Å; S130-I133 VanDerWaalsContact CA-CD1 3.5Å; S130-I133 WeakPolarHBondContact O-CB 3.31Å; S130-I133 VanDerWaalsContact O-CD1 3.26Å; S130-I133 WeakPolarHBondContact O-CD1 3.28Å; S130-I133 VanDerWaalsContact O-CG1 3.26Å; S130-I133 WeakPolarHBondContact O-CG1 3.36Å; S130-I133 PolarHBondContact O-N 3.01Å
131S86.2Confident94.3Very high83 Ų8323.9 Ų23.958%0.5816%0.16SC*.G310 helixtrans-53.5-27.6172.568.10000114.7G129G129-S131 PolarHBondContact O-N 2.7Å
132N91.5Very high94.3Very high23 Ų2323.9 Ų23.912%0.12316%0.16CC..G310 helixtrans-87.8-4.3179.7-75.1-25.7000114.6G129 S130 D134 C135 C136 G137 I139 V253 S255G129-N132 WeakPolarHBondContact O-CB 3.2Å; G129-N132 PolarHBondContact O-N 2.9Å; S130-N132 PolarHBondContact O-N 3.18Å; S130-N132 VanDerWaalsContact O-N 3.08Å; N132-D134 PolarHBondContact O-N 3.5Å; N132-C135 PolarHBondContact O-N 2.93Å; N132-C135 PolarHBondContact O-SG 2.87Å; N132-C136 PolarHBondContact O-N 2.68Å; N132-G137 PolarHBondContact O-N 2.89Å; N132-I139 HydrophobicContact CB-CG2 3.99Å; N132-V253 PolarHBondContact ND2-O 2.95Å; N132-V253 VanDerWaalsContact ND2-O 3.15Å; N132-S255 PolarHBondContact ND2-N 2.85Å
133I86.9Confident94.3Very high8 Ų824 Ų244%0.04116%0.16CC..THydrogen-bonded Turntrans-59.5-50.6-176.8-70.5158.9000111.9Y64 K78 I80 L127 S130 C135 C136 I139Y64-I133 HydrophobicContact CD1-CG2 3.56Å; Y64-I133 HydrophobicContact CE1-CG2 3.65Å; K78-I133 HydrophobicContact CB-CD1 4.49Å; K78-I133 HydrophobicContact CD-CB 4.45Å; K78-I133 HydrophobicContact CD-CD1 3.73Å; I80-I133 HydrophobicContact CG2-CD1 3.2Å; I80-I133 HydrophobicContact CG2-CG1 4.19Å; I80-I133 HydrophobicContact CG2-CG2 4.32Å; L127-I133 HydrophobicContact CD2-CD1 3.75Å; S130-I133 VanDerWaalsContact CA-CD1 3.5Å; S130-I133 WeakPolarHBondContact O-CB 3.31Å; S130-I133 VanDerWaalsContact O-CD1 3.26Å; S130-I133 WeakPolarHBondContact O-CD1 3.28Å; S130-I133 VanDerWaalsContact O-CG1 3.26Å; S130-I133 WeakPolarHBondContact O-CG1 3.36Å; S130-I133 PolarHBondContact O-N 3.01Å; I133-C135 VanDerWaalsContact C-N 3.26Å; I133-C135 PolarHBondContact O-N 2.71Å; I133-C136 PolarHBondContact O-N 3.22Å; I133-C136 VanDerWaalsContact O-N 3.08Å; I133-I139 HydrophobicContact CG1-CD1 3.69Å; I133-I139 HydrophobicContact CG1-CG2 4.23Å
134D87.7Confident94.3Very high78 Ų7824 Ų2442%0.41716%0.16SC..THydrogen-bonded Turntrans-74.3-20-170.4-54.6-49.1000112.2Y64 G65 K78 N132Y64-D134 WeakPolarHBondContact CB-OD1 3.15Å; G65-D134 PolarHBondContact N-OD1 3.37Å; K78-D134 IonicContact NZ-OD2 2.75Å; K78-D134 PolarHBondContact NZ-OD2 3.42Å; N132-D134 PolarHBondContact O-N 3.5Å
135C91.1Very high94.3Very high89 Ų8924 Ų2460%0.60116%0.16SC*.THydrogen-bonded Turntrans-94.910.4172.667.10000113.2N132 I133 G137N132-C135 PolarHBondContact O-N 2.93Å; N132-C135 PolarHBondContact O-SG 2.87Å; I133-C135 VanDerWaalsContact C-N 3.26Å; I133-C135 PolarHBondContact O-N 2.71Å; C135-G137 PolarHBondContact O-N 3.35Å
136C91.6Very high94.3Very high97 Ų9723.9 Ų23.966%0.65516%0.16SC*.THydrogen-bonded Turntrans55.330-177.4-61.30000113.5N132 I133N132-C136 PolarHBondContact O-N 2.68Å; I133-C136 PolarHBondContact O-N 3.22Å; I133-C136 VanDerWaalsContact O-N 3.08Å
137G94.2Very high94.3Very high26 Ų2630.3 Ų30.327%0.26818%0.184SC..  trans-72.5165.8172.500000111.8N132 C135N132-G137 PolarHBondContact O-N 2.89Å; C135-G137 PolarHBondContact O-N 3.35Å
138S97.1Very high94.3Very high38 Ų3831.8 Ų31.827%0.26619%0.19SC..  trans-69.9137.9174.7-62.30000110.7S255S138-S255 WeakPolarHBondContact O-CB 3.23Å; S138-S255 PolarHBondContact O-OG 3.47Å
139I97.4Very high94.3Very high4 Ų435.2 Ų35.22%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-135.9176.717957.3178000108.8V55 L127 D128 G129 N132 I133 Y174V55-I139 HydrophobicContact CG1-CD1 3.85Å; V55-I139 HydrophobicContact CG1-CG1 4.28Å; V55-I139 HydrophobicContact CG2-CD1 3.92Å; L127-I139 HydrophobicContact CD1-CD1 3.92Å; L127-I139 HydrophobicContact CD1-CG1 4.41Å; L127-I139 HydrophobicContact CD2-CD1 4.36Å; L127-I139 HydrophobicContact CG-CD1 4.27Å; D128-I139 WeakPolarHBondContact O-CA 3.38Å; D128-I139 VanDerWaalsContact O-CB 3.24Å; D128-I139 WeakPolarHBondContact O-CB 3.37Å; G129-I139 WeakPolarHBondContact O-CG2 3.32Å; N132-I139 HydrophobicContact CB-CG2 3.99Å; I133-I139 HydrophobicContact CG1-CD1 3.69Å; I133-I139 HydrophobicContact CG1-CG2 4.23Å; I139-Y174 HydrophobicContact CG1-CD2 4.06Å; I139-Y174 PolarHBondContact O-N 3.21Å
140G98.3Very high94.3Very high0 Ų036 Ų360%022%0.216CC..EExtended strand (participates in β ladder)trans-161.6-179.1-177.900000115.2L127 D128 A172L127-G140 CarbonylContact C-O 3.52Å; L127-G140 WeakPolarHBondContact CA-O 3.08Å; D128-G140 PolarHBondContact N-O 3.46Å; D128-G140 PolarHBondContact O-N 3.37Å; G140-A172 CarbonylContact C-O 3.6Å; G140-A172 WeakPolarHBondContact CA-O 3.47Å
141T98.8Very high94.6Very high0 Ų043.7 Ų43.70%025%0.249CC..EExtended strand (participates in β ladder)trans-123.9137.6169.9-630000107.1M88 D125 P126 Y171 A172 Y174M88-T141 HydrophobicContact CE-CG2 3.76Å; M88-T141 HydrophobicContact SD-CG2 4.05Å; D125-T141 CarbonylContact O-C 3.56Å; D125-T141 WeakPolarHBondContact O-CA 3.29Å; D125-T141 WeakPolarHBondContact O-CG2 3.4Å; P126-T141 PolarHBondContact O-OG1 3Å; T141-Y171 CarbonylContact O-C 3.58Å; T141-Y171 WeakPolarHBondContact O-CA 3.1Å; T141-Y171 VanDerWaalsContact O-CB 3.32Å; T141-Y171 WeakPolarHBondContact O-CB 3.4Å; T141-A172 PolarHBondContact N-O 2.59Å; T141-A172 PolarHBondContact O-N 2.9Å; T141-Y174 WeakPolarHBondContact CB-OH 3.38Å; T141-Y174 WeakPolarHBondContact OG1-CE2 3.26Å; T141-Y174 PolarHBondContact OG1-OH 2.68Å
142I98.8Very high94.6Very high0 Ų046.5 Ų46.50%026%0.257CS..EExtended strand (participates in β ladder)trans-117.1141.3179.8-45.3179.2000108.5F124 D125 D128 M256 V257 Y287 E288 P291 M292F124-I142 CarbonylContact C-O 3.59Å; F124-I142 WeakPolarHBondContact CA-O 3.4Å; F124-I142 WeakPolarHBondContact CB-O 3.25Å; D125-I142 HydrophobicContact CB-CB 4.14Å; D125-I142 HydrophobicContact CB-CD1 4.45Å; D125-I142 HydrophobicContact CB-CG1 4.3Å; D125-I142 PolarHBondContact N-O 3.06Å; D125-I142 PolarHBondContact O-N 2.91Å; D128-I142 HydrophobicContact CB-CD1 4.04Å; D128-I142 HydrophobicContact CB-CG1 4.21Å; I142-M256 HydrophobicContact CD1-SD 4.1Å; I142-V257 HydrophobicContact CD1-CG2 3.81Å; I142-V257 HydrophobicContact CG1-CG2 3.53Å; I142-Y287 WeakPolarHBondContact CB-O 3.16Å; I142-Y287 WeakPolarHBondContact CG2-O 3.48Å; I142-E288 HydrophobicContact CD1-CB 4.44Å; I142-E288 HydrophobicContact CD1-CG 4.15Å; I142-P291 HydrophobicContact CG2-CB 3.67Å; I142-P291 HydrophobicContact CG2-CG 4.03Å; I142-M292 HydrophobicContact CD1-CE 3.59Å; I142-M292 HydrophobicContact CG1-CE 3.74Å; I142-M292 HydrophobicContact CG2-CE 4.08Å; I142-M292 HydrophobicContact CG2-CG 4.38Å
143F98.9Very high94.6Very high2 Ų249.4 Ų49.41%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-147.6145.7175.863.9-88000113.2I44 V123 F124 I145 A169 G170 L182 P291I44-F143 HydrophobicContact CD1-CD2 4.14Å; I44-F143 HydrophobicContact CD1-CE2 4.49Å; I44-F143 HydrophobicContact CG2-CD1 4Å; I44-F143 HydrophobicContact CG2-CD2 4.44Å; I44-F143 HydrophobicContact CG2-CE1 4.01Å; I44-F143 HydrophobicContact CG2-CE2 4.46Å; I44-F143 HydrophobicContact CG2-CG 4.22Å; I44-F143 HydrophobicContact CG2-CZ 4.24Å; V123-F143 CarbonylContact O-C 3.54Å; V123-F143 VanDerWaalsContact O-CA 3.29Å; V123-F143 WeakPolarHBondContact O-CA 3.46Å; F124-F143 HydrophobicContact CB-CB 4.11Å; F143-I145 HydrophobicContact CD2-CD1 4.48Å; F143-I145 HydrophobicContact CD2-CG1 4.49Å; F143-A169 WeakPolarHBondContact O-CA 3.31Å; F143-G170 WeakPolarHBondContact CD1-O 3.41Å; F143-G170 VanDerWaalsContact CE1-C 3.45Å; F143-G170 VanDerWaalsContact CZ-CA 3.47Å; F143-G170 PolarHBondContact N-O 2.85Å; F143-G170 PolarHBondContact O-N 2.84Å; F143-L182 HydrophobicContact CE2-CD1 4.05Å; F143-L182 HydrophobicContact CZ-CD1 4.05Å; F143-P291 WeakPolarHBondContact O-CB 3.34Å
144G98.8Very high95Very high0 Ų049.7 Ų49.70%027%0.273CS..EExtended strand (participates in β ladder)trans-127.8144.3169.900000110.8V122 V123V122-G144 WeakPolarHBondContact CA-O 2.93Å; V123-G144 PolarHBondContact N-O 3.23Å; V123-G144 PolarHBondContact O-N 2.88Å
145I98.7Very high95.3Very high0 Ų049.4 Ų49.40%027%0.272CS..EExtended strand (participates in β ladder)trans-121.8121-179.8-58.3167.3000109.3F37 L40 I41 I44 Y120 V121 V122 F143 L167 A168F37-I145 HydrophobicContact CE2-CB 4.49Å; F37-I145 HydrophobicContact CE2-CD1 4.05Å; F37-I145 HydrophobicContact CE2-CG2 4.01Å; F37-I145 HydrophobicContact CZ-CD1 4.2Å; L40-I145 HydrophobicContact CD2-CD1 3.99Å; L40-I145 HydrophobicContact CD2-CG1 4.3Å; L40-I145 HydrophobicContact CD2-CG2 3.86Å; L40-I145 HydrophobicContact CG-CD1 4.27Å; I41-I145 HydrophobicContact CD1-CD1 3.6Å; I44-I145 HydrophobicContact CD1-CD1 3.94Å; I44-I145 HydrophobicContact CD1-CG1 4.4Å; Y120-I145 HydrophobicContact CD1-CG2 4.07Å; Y120-I145 HydrophobicContact CG-CG2 4.23Å; V121-I145 WeakPolarHBondContact O-CA 3.4Å; V122-I145 HydrophobicContact CG2-CG1 4.39Å; F143-I145 HydrophobicContact CD2-CD1 4.48Å; F143-I145 HydrophobicContact CD2-CG1 4.49Å; I145-L167 PolarHBondContact O-N 2.84Å; I145-A168 HydrophobicContact CD1-CB 4.39Å; I145-A168 PolarHBondContact N-O 3.42Å
146Y98.4Very high95.6Very high0 Ų049.5 Ų49.50%027%0.266CS..EExtended strand (participates in β ladder)trans-106.1163.4171.6-63.9-88.7000110.9Y120 V121 V123 Q161 K165 L166 N290Y120-Y146 WeakPolarHBondContact CA-O 3.39Å; V121-Y146 PolarHBondContact N-O 3.38Å; V121-Y146 PolarHBondContact O-N 3.13Å; V123-Y146 HydrophobicContact CG1-CD2 4.4Å; V123-Y146 HydrophobicContact CG1-CE2 4.2Å; V123-Y146 HydrophobicContact CG2-CD2 4.45Å; V123-Y146 HydrophobicContact CG2-CE2 3.91Å; Y146-Q161 HydrophobicContact CD1-CB 3.79Å; Y146-Q161 HydrophobicContact CD1-CG 4.49Å; Y146-Q161 HydrophobicContact CE1-CB 3.77Å; Y146-Q161 PolarHBondContact OH-O 2.89Å; Y146-K165 HydrophobicContact CD1-CB 4Å; Y146-K165 HydrophobicContact CE1-CB 4.11Å; Y146-L166 HydrophobicContact CD1-CD2 4.07Å; Y146-L166 HydrophobicContact CD1-CG 4.28Å; Y146-L166 HydrophobicContact CD2-CD2 3.73Å; Y146-L166 HydrophobicContact CE1-CB 4.41Å; Y146-L166 HydrophobicContact CE1-CD2 3.74Å; Y146-L166 HydrophobicContact CE1-CG 3.67Å; Y146-L166 HydrophobicContact CE2-CD2 3.36Å; Y146-L166 HydrophobicContact CE2-CG 4.12Å; Y146-L166 HydrophobicContact CG-CD2 4.07Å; Y146-N290 PolarHBondContact OH-ND2 3.13Å
147R96.8Very high95.8Very high135 Ų13549.5 Ų49.551%0.50926%0.257SS..EExtended strand (participates in β ladder)trans-91.1139.1164.5-152.2172-161.3-105.43.2109.3T149 Q161 L167R147-T149 PolarHBondContact O-N 2.83Å; R147-Q161 PolarHBondContact O-NE2 3.26Å; R147-L167 HydrophobicContact CB-CD1 3.94Å; R147-L167 HydrophobicContact CB-CG 4.41Å; R147-L167 HydrophobicContact CG-CD1 4.39Å
148K96.6Very high95.9Very high36 Ų3648.3 Ų48.316%0.15724%0.244CC..  trans-56136.3164.7-177.2-179.3173.9-73.20109.6K119 S150 E151 D152 P154 D158K119-K148 WeakPolarHBondContact O-CB 3.2Å; K119-K148 PolarHBondContact O-N 3.49Å; K148-S150 WeakPolarHBondContact CE-OG 3.22Å; K148-S150 WeakPolarHBondContact CG-OG 3.26Å; K148-S150 VanDerWaalsContact NZ-C 3.27Å; K148-S150 PolarHBondContact NZ-O 3.22Å; K148-S150 PolarHBondContact NZ-OG 2.6Å; K148-E151 PolarHBondContact NZ-O 2.9Å; K148-D152 WeakPolarHBondContact CE-O 3.48Å; K148-D152 PolarHBondContact NZ-O 3Å; K148-P154 HydrophobicContact CD-CG 4.33Å; K148-D158 HydrophobicContact CG-CB 4.45Å
149T95.9Very high96Very high85 Ų8546.5 Ų46.552%0.52123%0.231SC..  trans-107-30.7-176.5550000113.3R147 D158R147-T149 PolarHBondContact O-N 2.83Å; T149-D158 WeakPolarHBondContact CA-OD1 3.49Å; T149-D158 PolarHBondContact N-OD1 3.06Å; T149-D158 PolarHBondContact OG1-OD1 3.19Å
150S94.3Very high96Very high26 Ų2646.8 Ų46.818%0.18223%0.233CC..  trans-63.7152172.359.80000110.7K148 M153 N155 D158K148-S150 WeakPolarHBondContact CE-OG 3.22Å; K148-S150 WeakPolarHBondContact CG-OG 3.26Å; K148-S150 VanDerWaalsContact NZ-C 3.27Å; K148-S150 PolarHBondContact NZ-O 3.22Å; K148-S150 PolarHBondContact NZ-OG 2.6Å; S150-M153 PolarHBondContact OG-O 2.89Å; S150-N155 WeakPolarHBondContact CB-ND2 3.26Å; S150-D158 WeakPolarHBondContact CB-OD2 3.4Å; S150-D158 PolarHBondContact N-OD1 2.94Å; S150-D158 VanDerWaalsContact OG-CG 3.27Å; S150-D158 PolarHBondContact OG-OD1 3.48Å; S150-D158 PolarHBondContact OG-OD2 3.34Å
151E89Confident96Very high187 Ų18747.4 Ų47.487%0.87424%0.236SC*.SBendtrans-85.1-41.2171.1-65.3-172.5168.300110.8K148K148-E151 PolarHBondContact NZ-O 2.9Å
152D86.3Confident96Very high142 Ų14248.6 Ų48.676%0.75924%0.244SC*.SBendtrans-86.1-138-174.8-60.4-50.4000113.6K148K148-D152 WeakPolarHBondContact CE-O 3.48Å; K148-D152 PolarHBondContact NZ-O 3Å
153M91.6Very high96Very high85 Ų8548.6 Ų48.642%0.41924%0.244SC..SBendtrans-59.9139.4175.2-69.5-61.7-5300110.8K114 S150K114-M153 HydrophobicContact CD-CE 4Å; K114-M153 HydrophobicContact CD-SD 4.33Å; K114-M153 HydrophobicContact CG-CE 4.29Å; K114-M153 PolarHBondContact NZ-SD 3.36Å; S150-M153 PolarHBondContact OG-O 2.89Å
154P94.4Very high95.9Very high13 Ų1354.4 Ų54.48%0.08427%0.269CS..  trans-56.1141.3173.2-19.130.4000111.2C99 L100 K148 D158C99-P154 HydrophobicContact CB-CB 4.15Å; C99-P154 HydrophobicContact CB-CG 3.59Å; L100-P154 HydrophobicContact CD1-CB 3.71Å; L100-P154 HydrophobicContact CD2-CB 3.79Å; L100-P154 HydrophobicContact CG-CB 3.62Å; K148-P154 HydrophobicContact CD-CG 4.33Å; P154-D158 WeakPolarHBondContact CA-OD2 3.4Å
155N95.2Very high95.9Very high73 Ų7360.2 Ų60.239%0.3929%0.294SS..  trans-139.7176.3179.166.359.5000111.7L100 S150 E157 D158L100-N155 VanDerWaalsContact CD1-O 3.31Å; L100-N155 WeakPolarHBondContact CD1-O 3.43Å; S150-N155 WeakPolarHBondContact CB-ND2 3.26Å; N155-E157 VanDerWaalsContact C-N 3.28Å; N155-E157 PolarHBondContact O-N 3.06Å; N155-E157 WeakPolarHBondContact OD1-CB 3.26Å; N155-E157 PolarHBondContact OD1-N 2.9Å; N155-D158 PolarHBondContact N-OD2 2.64Å; N155-D158 VanDerWaalsContact O-CB 3.28Å; N155-D158 WeakPolarHBondContact O-CB 3.38Å; N155-D158 PolarHBondContact O-N 2.77Å
156L96Very high95.9Very high90 Ų9060.8 Ų60.847%0.47130%0.297SS..G310 helixtrans-61.9-30.7-174.5-172.961.2000113.7V109 D158 V159 L160 I318V109-L156 HydrophobicContact CG2-CD1 3.88Å; L156-D158 PolarHBondContact O-N 2.73Å; L156-V159 WeakPolarHBondContact O-CB 3.21Å; L156-V159 PolarHBondContact O-N 2.8Å; L156-L160 HydrophobicContact CD1-CD1 4.37Å; L156-L160 HydrophobicContact CD1-CG 4.26Å; L156-L160 HydrophobicContact CD2-CD1 3.99Å; L156-L160 HydrophobicContact CG-CD1 3.74Å; L156-L160 HydrophobicContact CG-CG 4.03Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 2.89Å; L156-I318 HydrophobicContact CD1-CG2 3.69Å
157E96.4Very high95.8Very high98 Ų9864 Ų6446%0.45831%0.314SS..G310 helixtrans-68.2-22177.1-66.3-66.5129.200112.2N155 V159 K314N155-E157 VanDerWaalsContact C-N 3.28Å; N155-E157 PolarHBondContact O-N 3.06Å; N155-E157 WeakPolarHBondContact OD1-CB 3.26Å; N155-E157 PolarHBondContact OD1-N 2.9Å; E157-V159 PolarHBondContact O-N 3.44Å; E157-K314 IonicContact OE2-NZ 3.17Å; E157-K314 PolarHBondContact OE2-NZ 3.25Å
158D97.2Very high95.9Very high0 Ų057.6 Ų57.60%029%0.29CS..G310 helixtrans-66.7-20.1171.9-64.6-51.2000112.4L100 V121 K148 T149 S150 P154 N155 L156 Q161L100-D158 HydrophobicContact CD1-CB 3.96Å; V121-D158 HydrophobicContact CG2-CB 4.1Å; K148-D158 HydrophobicContact CG-CB 4.45Å; T149-D158 WeakPolarHBondContact CA-OD1 3.49Å; T149-D158 PolarHBondContact N-OD1 3.06Å; T149-D158 PolarHBondContact OG1-OD1 3.19Å; S150-D158 WeakPolarHBondContact CB-OD2 3.4Å; S150-D158 PolarHBondContact N-OD1 2.94Å; S150-D158 VanDerWaalsContact OG-CG 3.27Å; S150-D158 PolarHBondContact OG-OD1 3.48Å; S150-D158 PolarHBondContact OG-OD2 3.34Å; P154-D158 WeakPolarHBondContact CA-OD2 3.4Å; N155-D158 PolarHBondContact N-OD2 2.64Å; N155-D158 VanDerWaalsContact O-CB 3.28Å; N155-D158 WeakPolarHBondContact O-CB 3.38Å; N155-D158 PolarHBondContact O-N 2.77Å; L156-D158 PolarHBondContact O-N 2.73Å; D158-Q161 PolarHBondContact O-NE2 3.33Å
159V97.5Very high96Very high0 Ų055.9 Ų55.90%028%0.282CS..THydrogen-bonded Turntrans-95.7-44.2176.1173.50000111.4L100 V102 V109 V121 L156 E157 Q161 L286 I318L100-V159 HydrophobicContact CB-CG2 4.08Å; L100-V159 HydrophobicContact CD1-CG2 3.74Å; V102-V159 HydrophobicContact CG2-CB 4.43Å; V102-V159 HydrophobicContact CG2-CG1 3.36Å; V102-V159 HydrophobicContact CG2-CG2 4.18Å; V109-V159 HydrophobicContact CG1-CG2 4.06Å; V109-V159 HydrophobicContact CG2-CG2 4.33Å; V121-V159 HydrophobicContact CG1-CG2 3.84Å; L156-V159 WeakPolarHBondContact O-CB 3.21Å; L156-V159 PolarHBondContact O-N 2.8Å; E157-V159 PolarHBondContact O-N 3.44Å; V159-Q161 PolarHBondContact O-N 2.84Å; V159-L286 HydrophobicContact CG1-CD1 3.77Å; V159-I318 HydrophobicContact CG1-CG2 3.81Å
160L98.2Very high96.2Very high10 Ų1051.8 Ų51.85%0.05226%0.257CS..SBendtrans-77.647.8-174.2-59.7-178.1000113L156 L286 P315 I318L156-L160 HydrophobicContact CD1-CD1 4.37Å; L156-L160 HydrophobicContact CD1-CG 4.26Å; L156-L160 HydrophobicContact CD2-CD1 3.99Å; L156-L160 HydrophobicContact CG-CD1 3.74Å; L156-L160 HydrophobicContact CG-CG 4.03Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 2.89Å; L160-L286 HydrophobicContact CD2-CD1 4.44Å; L160-P315 HydrophobicContact CB-CB 4.43Å; L160-P315 HydrophobicContact CD2-CB 3.96Å; L160-I318 HydrophobicContact CD2-CG2 3.99Å
161Q98.4Very high96.4Very high14 Ų1450.6 Ų50.67%0.06525%0.249CC..  trans-92.4142.1178.1-61.9-172.658.100111.1Y146 R147 D158 V159 K165 P315Y146-Q161 HydrophobicContact CD1-CB 3.79Å; Y146-Q161 HydrophobicContact CD1-CG 4.49Å; Y146-Q161 HydrophobicContact CE1-CB 3.77Å; Y146-Q161 PolarHBondContact OH-O 2.89Å; R147-Q161 PolarHBondContact O-NE2 3.26Å; D158-Q161 PolarHBondContact O-NE2 3.33Å; V159-Q161 PolarHBondContact O-N 2.84Å; Q161-K165 HydrophobicContact CB-CB 4.17Å; Q161-P315 WeakPolarHBondContact O-CD 3.12Å; Q161-P315 WeakPolarHBondContact O-CG 3.49Å
162P98.4Very high96.8Very high25 Ų2541.7 Ų41.716%0.16221%0.207CC..  trans-62.9148.2173.928.4-34.9000111.1K164 K165 L313P162-K164 HydrophobicContact CB-CG 4.18Å; P162-K164 HydrophobicContact CG-CG 4.11Å; P162-K164 PolarHBondContact O-N 3.44Å; P162-K165 HydrophobicContact CG-CG 3.97Å; P162-K165 WeakPolarHBondContact O-CB 3.49Å; P162-K165 PolarHBondContact O-N 3.13Å; P162-L313 VanDerWaalsContact CA-O 3.32Å; P162-L313 WeakPolarHBondContact CA-O 3.42Å; P162-L313 WeakPolarHBondContact CB-O 3.48Å
163G98.6Very high97.4Very high0 Ų035.7 Ų35.70%018%0.175CC..G310 helixtrans-53.2-30-175.500000114.5K165 L166 L311G163-K165 PolarHBondContact O-N 2.97Å; G163-L166 VanDerWaalsContact O-CB 3.28Å; G163-L166 WeakPolarHBondContact O-CB 3.38Å; G163-L166 WeakPolarHBondContact O-CD1 3.39Å; G163-L166 VanDerWaalsContact O-CG 3.26Å; G163-L166 WeakPolarHBondContact O-CG 3.37Å; G163-L166 PolarHBondContact O-N 3.37Å; G163-L311 PolarHBondContact N-O 2.99Å; G163-L311 VanDerWaalsContact N-O 3.14Å
164K98.1Very high97.7Very high124 Ų12432.1 Ų32.154%0.53916%0.157SC..G310 helixtrans-62.2-12.7175.167.6-177.5165.1-160.80115.1P162 L311 D312P162-K164 HydrophobicContact CB-CG 4.18Å; P162-K164 HydrophobicContact CG-CG 4.11Å; P162-K164 PolarHBondContact O-N 3.44Å; K164-L311 HydrophobicContact CB-CB 4.26Å; K164-L311 PolarHBondContact N-O 2.91Å; K164-D312 WeakPolarHBondContact CD-OD1 3.48Å; K164-D312 IonicContact NZ-OD1 2.79Å; K164-D312 PolarHBondContact NZ-OD1 3.19Å
165K98.2Very high97.9Very high121 Ų12132.7 Ų32.753%0.52617%0.165SC..G310 helixtrans-90.2-3175.2-66.1-70.6-173.2174.60113.3Y146 Q161 P162 G163 L167Y146-K165 HydrophobicContact CD1-CB 4Å; Y146-K165 HydrophobicContact CE1-CB 4.11Å; Q161-K165 HydrophobicContact CB-CB 4.17Å; P162-K165 HydrophobicContact CG-CG 3.97Å; P162-K165 WeakPolarHBondContact O-CB 3.49Å; P162-K165 PolarHBondContact O-N 3.13Å; G163-K165 PolarHBondContact O-N 2.97Å; K165-L167 PolarHBondContact O-N 3.38Å
166L98.5Very high97.9Very high13 Ų1335.9 Ų35.97%0.06819%0.193CC..  trans-58.1130.4172.9-75.2168000110.3Y146 G163 A169 N290 M294Y146-L166 HydrophobicContact CD1-CD2 4.07Å; Y146-L166 HydrophobicContact CD1-CG 4.28Å; Y146-L166 HydrophobicContact CD2-CD2 3.73Å; Y146-L166 HydrophobicContact CE1-CB 4.41Å; Y146-L166 HydrophobicContact CE1-CD2 3.74Å; Y146-L166 HydrophobicContact CE1-CG 3.67Å; Y146-L166 HydrophobicContact CE2-CD2 3.36Å; Y146-L166 HydrophobicContact CE2-CG 4.12Å; Y146-L166 HydrophobicContact CG-CD2 4.07Å; G163-L166 VanDerWaalsContact O-CB 3.28Å; G163-L166 WeakPolarHBondContact O-CB 3.38Å; G163-L166 WeakPolarHBondContact O-CD1 3.39Å; G163-L166 VanDerWaalsContact O-CG 3.26Å; G163-L166 WeakPolarHBondContact O-CG 3.37Å; G163-L166 PolarHBondContact O-N 3.37Å; L166-A169 HydrophobicContact CD1-CB 4.39Å; L166-N290 HydrophobicContact CD1-CB 4.11Å; L166-M294 HydrophobicContact CB-CE 4.24Å; L166-M294 HydrophobicContact CB-SD 3.44Å; L166-M294 WeakPolarHBondContact CB-SD 3.48Å; L166-M294 HydrophobicContact CD1-CB 4.07Å; L166-M294 HydrophobicContact CD1-SD 4Å; L166-M294 HydrophobicContact CG-SD 4.34Å; L166-M294 WeakPolarHBondContact O-CE 3.45Å
167L97.3Very high97.9Very high67 Ų6733.5 Ų33.535%0.35119%0.186SC..SBendtrans-78.6-36.3170-62.5-178.9000110.9F37 Y120 I145 R147 K165 L184F37-L167 HydrophobicContact CE2-CB 4.47Å; Y120-L167 HydrophobicContact CD1-CD1 3.85Å; Y120-L167 HydrophobicContact CE1-CD1 3.57Å; I145-L167 PolarHBondContact O-N 2.84Å; R147-L167 HydrophobicContact CB-CD1 3.94Å; R147-L167 HydrophobicContact CB-CG 4.41Å; R147-L167 HydrophobicContact CG-CD1 4.39Å; K165-L167 PolarHBondContact O-N 3.38Å; L167-L184 CarbonylContact O-C 3.54Å
168A98.2Very high98Very high0 Ų028.9 Ų28.90%017%0.165CC..EExtended strand (participates in β ladder)trans-155.1156.1178.700000110.5F37 I145 T183 L184F37-A168 HydrophobicContact CE2-CB 4.18Å; F37-A168 HydrophobicContact CZ-CB 3.56Å; I145-A168 HydrophobicContact CD1-CB 4.39Å; I145-A168 PolarHBondContact N-O 3.42Å; A168-T183 VanDerWaalsContact CA-O 3.25Å; A168-T183 WeakPolarHBondContact CA-O 3.27Å; A168-T183 VanDerWaalsContact CB-O 3.27Å; A168-T183 WeakPolarHBondContact CB-O 3.29Å; A168-L184 HydrophobicContact CB-CD2 3.74Å
169A98.8Very high98.1Very high0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-145.1151.117300000109.3F143 L166 T183 P291 M294 I295F143-A169 WeakPolarHBondContact O-CA 3.31Å; L166-A169 HydrophobicContact CD1-CB 4.39Å; A169-T183 HydrophobicContact CB-CG2 4.05Å; A169-T183 PolarHBondContact N-O 2.94Å; A169-T183 VanDerWaalsContact N-O 3.15Å; A169-T183 WeakPolarHBondContact O-CG2 3.21Å; A169-T183 PolarHBondContact O-N 2.81Å; A169-P291 HydrophobicContact CB-CB 3.96Å; A169-P291 WeakPolarHBondContact CB-O 3.16Å; A169-M294 HydrophobicContact CB-CB 4.05Å; A169-M294 HydrophobicContact CB-CG 4.32Å; A169-M294 HydrophobicContact CB-SD 3.61Å; A169-I295 HydrophobicContact CB-CD1 4.48Å; A169-I295 HydrophobicContact CB-CG1 4.23Å
170G98.7Very high98.1Very high0 Ų029.8 Ų29.80%017%0.17CC..EExtended strand (participates in β ladder)trans-160.6171.5174.900000112.5F143 V181F143-G170 WeakPolarHBondContact CD1-O 3.41Å; F143-G170 VanDerWaalsContact CE1-C 3.45Å; F143-G170 VanDerWaalsContact CZ-CA 3.47Å; F143-G170 PolarHBondContact N-O 2.85Å; F143-G170 PolarHBondContact O-N 2.84Å; G170-V181 CarbonylContact C-O 3.59Å; G170-V181 WeakPolarHBondContact CA-O 3.5Å
171Y98.9Very high98.2Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-141.8151.7167.259.6-99.8000110.4T141 V180 V181 V257 H261 L264 M292 I295T141-Y171 CarbonylContact O-C 3.58Å; T141-Y171 WeakPolarHBondContact O-CA 3.1Å; T141-Y171 VanDerWaalsContact O-CB 3.32Å; T141-Y171 WeakPolarHBondContact O-CB 3.4Å; Y171-V180 CarbonylContact O-C 3.36Å; Y171-V180 WeakPolarHBondContact O-CA 3.48Å; Y171-V181 HydrophobicContact CD1-CB 4.3Å; Y171-V181 HydrophobicContact CD2-CB 4.21Å; Y171-V181 HydrophobicContact CD2-CG2 4.44Å; Y171-V181 HydrophobicContact CE1-CB 3.79Å; Y171-V181 HydrophobicContact CE1-CG1 3.95Å; Y171-V181 HydrophobicContact CE1-CG2 4.4Å; Y171-V181 HydrophobicContact CE2-CB 3.68Å; Y171-V181 HydrophobicContact CE2-CG2 3.59Å; Y171-V181 HydrophobicContact CG-CB 4.49Å; Y171-V181 VanDerWaalsContact CZ-CB 3.45Å; Y171-V181 PolarHBondContact N-O 3.37Å; Y171-V181 PolarHBondContact O-N 3.48Å; Y171-V181 WeakPolarHBondContact OH-CG2 3.46Å; Y171-V257 HydrophobicContact CD2-CG1 3.57Å; Y171-V257 HydrophobicContact CE2-CG1 4.15Å; Y171-V257 HydrophobicContact CG-CG1 4.13Å; Y171-H261 HydrophobicContact CE2-CB 4.09Å; Y171-H261 AromaticContact CE2-ND1 3.63Å; Y171-H261 AromaticContact CZ-ND1 3.74Å; Y171-H261 PolarHBondContact OH-ND1 2.79Å; Y171-L264 VanDerWaalsContact OH-CD2 3.3Å; Y171-L264 WeakPolarHBondContact OH-CD2 3.08Å; Y171-M292 HydrophobicContact CD1-CE 3.64Å; Y171-M292 HydrophobicContact CD1-SD 3.49Å; Y171-M292 WeakPolarHBondContact CD1-SD 3.41Å; Y171-M292 HydrophobicContact CE1-CE 4.4Å; Y171-M292 HydrophobicContact CE1-SD 3.92Å; Y171-M292 HydrophobicContact CG-CE 3.81Å; Y171-M292 HydrophobicContact CG-SD 4.29Å; Y171-I295 HydrophobicContact CD1-CD1 3.43Å; Y171-I295 VanDerWaalsContact CD1-CD1 3.43Å; Y171-I295 HydrophobicContact CE1-CD1 3.76Å; Y171-I295 HydrophobicContact CE1-CG2 4.19Å
172A98.8Very high98.2Very high0 Ų028.8 Ų28.80%017%0.165CC..EExtended strand (participates in β ladder)trans-100.3130163.900000109.2V48 G140 T141 Y174 M179 V180V48-A172 HydrophobicContact CB-CB 4.34Å; V48-A172 HydrophobicContact CG1-CB 3.42Å; V48-A172 VanDerWaalsContact CG1-CB 3.42Å; V48-A172 HydrophobicContact CG2-CB 3.91Å; G140-A172 CarbonylContact C-O 3.6Å; G140-A172 WeakPolarHBondContact CA-O 3.47Å; T141-A172 PolarHBondContact N-O 2.59Å; T141-A172 PolarHBondContact O-N 2.9Å; A172-Y174 HydrophobicContact CB-CE1 3.88Å; A172-M179 CarbonylContact C-O 3.47Å; A172-M179 WeakPolarHBondContact CA-O 3.05Å; A172-V180 HydrophobicContact CB-CG2 4.09Å
173L98.7Very high98.2Very high16 Ų1627.7 Ų27.78%0.08416%0.157CC..EExtended strand (participates in β ladder)trans-102122.2171.1171.963.6000108.6G175 T178 M179 V257 A258 H261L173-G175 PolarHBondContact O-N 2.88Å; L173-T178 VanDerWaalsContact O-CA 3.26Å; L173-T178 WeakPolarHBondContact O-CA 3.4Å; L173-M179 PolarHBondContact N-O 3.42Å; L173-M179 PolarHBondContact O-N 3.03Å; L173-V257 HydrophobicContact CB-CG1 4.01Å; L173-V257 HydrophobicContact CD1-CG1 4.03Å; L173-A258 HydrophobicContact CD1-CB 4.26Å; L173-H261 HydrophobicContact CD2-CB 4.11Å
174Y97.9Very high98.1Very high10 Ų1029.4 Ų29.44%0.03917%0.167CC..EExtended strand (participates in β ladder)trans-99.565.2173.7-48-57.1000109.7V48 I51 V55 L127 I139 T141 A172 T178V48-Y174 HydrophobicContact CG1-CE1 3.99Å; I51-Y174 HydrophobicContact CG2-CD2 4.43Å; I51-Y174 HydrophobicContact CG2-CE1 4.35Å; I51-Y174 HydrophobicContact CG2-CE2 3.6Å; I51-Y174 WeakPolarHBondContact CG2-OH 3.28Å; V55-Y174 HydrophobicContact CG2-CD2 4.32Å; L127-Y174 HydrophobicContact CD1-CD2 4.13Å; L127-Y174 HydrophobicContact CD1-CE2 3.92Å; I139-Y174 HydrophobicContact CG1-CD2 4.06Å; I139-Y174 PolarHBondContact O-N 3.21Å; T141-Y174 WeakPolarHBondContact CB-OH 3.38Å; T141-Y174 WeakPolarHBondContact OG1-CE2 3.26Å; T141-Y174 PolarHBondContact OG1-OH 2.68Å; A172-Y174 HydrophobicContact CB-CE1 3.88Å; Y174-T178 HydrophobicContact CD1-CG2 3.93Å; Y174-T178 HydrophobicContact CE1-CG2 4.15Å
175G97.1Very high97.9Very high25 Ų2524.5 Ų24.526%0.25815%0.151SC..SBendtrans-96.8-145178.400000112.5L173 A177L173-G175 PolarHBondContact O-N 2.88Å; G175-A177 CarbonylContact C-O 3.44Å; G175-A177 PolarHBondContact N-O 2.92Å; G175-A177 PolarHBondContact O-N 3.49Å
176S96.1Very high97.6Very high140 Ų14026.9 Ų26.998%0.97916%0.164SC*.SBendtrans-58-32.1172.553.50000112.8
177A96.7Very high97.6Very high40 Ų4027.1 Ų27.133%0.33117%0.17SC..SBendtrans-125.1161163.900000109.2G175 T192G175-A177 CarbonylContact C-O 3.44Å; G175-A177 PolarHBondContact N-O 2.92Å; G175-A177 PolarHBondContact O-N 3.49Å; A177-T192 HydrophobicContact CB-CG2 4.23Å
178T98.4Very high97.6Very high2 Ų224 Ų241%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-91.2126.3169.3-66.40000110.2S52 R56 L173 Y174 L193 F200S52-T178 WeakPolarHBondContact OG-CB 3.49Å; S52-T178 WeakPolarHBondContact OG-CG2 3.15Å; S52-T178 PolarHBondContact OG-OG1 2.79Å; R56-T178 PolarHBondContact NH1-OG1 2.75Å; R56-T178 PolarHBondContact NH2-OG1 3.14Å; L173-T178 VanDerWaalsContact O-CA 3.26Å; L173-T178 WeakPolarHBondContact O-CA 3.4Å; Y174-T178 HydrophobicContact CD1-CG2 3.93Å; Y174-T178 HydrophobicContact CE1-CG2 4.15Å; T178-L193 HydrophobicContact CG2-CB 4.24Å; T178-L193 HydrophobicContact CG2-CD2 4.27Å; T178-L193 PolarHBondContact O-N 2.88Å; T178-F200 HydrophobicContact CG2-CE1 4.05Å; T178-F200 HydrophobicContact CG2-CZ 4.25Å
179M98.4Very high97.6Very high18 Ų1824.6 Ų24.69%0.08916%0.156CC..EExtended strand (participates in β ladder)trans-124.3146.5176.6-66.9-178.965.800110.3A172 L173 F191 T192 H204A172-M179 CarbonylContact C-O 3.47Å; A172-M179 WeakPolarHBondContact CA-O 3.05Å; L173-M179 PolarHBondContact N-O 3.42Å; L173-M179 PolarHBondContact O-N 3.03Å; M179-F191 CarbonylContact C-O 3.41Å; M179-F191 WeakPolarHBondContact CA-O 3.34Å; M179-T192 HydrophobicContact CG-CG2 4.42Å; M179-H204 VanDerWaalsContact CE-CE1 3.47Å; M179-H204 WeakPolarHBondContact CE-CE1 3.15Å; M179-H204 WeakPolarHBondContact CE-ND1 3.35Å
180V98.7Very high97.6Very high1 Ų124.6 Ų24.61%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-113.4125.7163.9168.80000107.8L19 L45 V48 Y171 A172 G190 F191 F200L19-V180 HydrophobicContact CD1-CB 4.17Å; L19-V180 HydrophobicContact CD1-CG1 3.8Å; L45-V180 HydrophobicContact CD2-CG1 4.09Å; L45-V180 HydrophobicContact CD2-CG2 4.11Å; V48-V180 HydrophobicContact CG1-CG2 3.96Å; Y171-V180 CarbonylContact O-C 3.36Å; Y171-V180 WeakPolarHBondContact O-CA 3.48Å; A172-V180 HydrophobicContact CB-CG2 4.09Å; V180-G190 CarbonylContact O-C 3.53Å; V180-G190 WeakPolarHBondContact O-CA 3.45Å; V180-F191 PolarHBondContact N-O 3.2Å; V180-F191 PolarHBondContact O-N 2.69Å; V180-F200 HydrophobicContact CB-CD1 4.19Å; V180-F200 HydrophobicContact CB-CE1 4.1Å; V180-F200 HydrophobicContact CG2-CD1 3.99Å; V180-F200 HydrophobicContact CG2-CE1 3.45Å; V180-F200 VanDerWaalsContact CG2-CE1 3.45Å; V180-F200 HydrophobicContact CG2-CE2 4.11Å; V180-F200 HydrophobicContact CG2-CZ 3.53Å
181V98.8Very high97.6Very high0 Ų024.6 Ų24.60%016%0.156CC..EExtended strand (participates in β ladder)trans-107.1128.6170.5177.60000107.9G170 Y171 V188 N189 I207 L264 I295G170-V181 CarbonylContact C-O 3.59Å; G170-V181 WeakPolarHBondContact CA-O 3.5Å; Y171-V181 HydrophobicContact CD1-CB 4.3Å; Y171-V181 HydrophobicContact CD2-CB 4.21Å; Y171-V181 HydrophobicContact CD2-CG2 4.44Å; Y171-V181 HydrophobicContact CE1-CB 3.79Å; Y171-V181 HydrophobicContact CE1-CG1 3.95Å; Y171-V181 HydrophobicContact CE1-CG2 4.4Å; Y171-V181 HydrophobicContact CE2-CB 3.68Å; Y171-V181 HydrophobicContact CE2-CG2 3.59Å; Y171-V181 HydrophobicContact CG-CB 4.49Å; Y171-V181 VanDerWaalsContact CZ-CB 3.45Å; Y171-V181 PolarHBondContact N-O 3.37Å; Y171-V181 PolarHBondContact O-N 3.48Å; Y171-V181 WeakPolarHBondContact OH-CG2 3.46Å; V181-V188 HydrophobicContact CG1-CG1 3.43Å; V181-V188 VanDerWaalsContact CG1-CG1 3.43Å; V181-N189 WeakPolarHBondContact CA-O 3.32Å; V181-I207 HydrophobicContact CG1-CD1 4.35Å; V181-L264 HydrophobicContact CG1-CD2 3.95Å; V181-I295 HydrophobicContact CG1-CG2 4.07Å
182L98.4Very high97.5Very high3 Ų326.2 Ų26.22%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-135.3138.1-171.3179.470.6000110.7L19 V23 I41 F143 L184 N189L19-L182 HydrophobicContact CD2-CD2 4.24Å; V23-L182 HydrophobicContact CG2-CD2 4.36Å; I41-L182 HydrophobicContact CD1-CD1 4.33Å; F143-L182 HydrophobicContact CE2-CD1 4.05Å; F143-L182 HydrophobicContact CZ-CD1 4.05Å; L182-L184 HydrophobicContact CD1-CD2 4.14Å; L182-L184 HydrophobicContact CD2-CD2 4Å; L182-L184 HydrophobicContact CD2-CG 4.34Å; L182-L184 HydrophobicContact CG-CD2 4.09Å; L182-L184 HydrophobicContact CG-CG 4.45Å; L182-N189 PolarHBondContact N-O 3Å; L182-N189 PolarHBondContact O-N 3.49Å
183T98.4Very high97.5Very high1 Ų127 Ų271%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-119.9140.8161.7-178.70000110.5A168 A169 G185 G187 M294 I295 Q298A168-T183 VanDerWaalsContact CA-O 3.25Å; A168-T183 WeakPolarHBondContact CA-O 3.27Å; A168-T183 VanDerWaalsContact CB-O 3.27Å; A168-T183 WeakPolarHBondContact CB-O 3.29Å; A169-T183 HydrophobicContact CB-CG2 4.05Å; A169-T183 PolarHBondContact N-O 2.94Å; A169-T183 VanDerWaalsContact N-O 3.15Å; A169-T183 WeakPolarHBondContact O-CG2 3.21Å; A169-T183 PolarHBondContact O-N 2.81Å; T183-G185 PolarHBondContact OG1-N 3.05Å; T183-G187 PolarHBondContact OG1-O 2.83Å; T183-M294 HydrophobicContact CG2-CE 4.11Å; T183-M294 HydrophobicContact CG2-CG 3.91Å; T183-M294 HydrophobicContact CG2-SD 3.86Å; T183-I295 HydrophobicContact CG2-CG1 3.78Å; T183-Q298 HydrophobicContact CG2-CG 4.43Å; T183-Q298 WeakPolarHBondContact OG1-CG 2.93Å
184L96.3Very high97.3Very high37 Ų3729.3 Ų29.319%0.19418%0.183CC..SBendtrans-112.525.9172.5-56.7-178.5000111F22 K26 F37 L167 A168 L182 H186F22-L184 HydrophobicContact CE1-CD1 4.41Å; K26-L184 HydrophobicContact CB-CD1 4.27Å; K26-L184 HydrophobicContact CG-CD1 4.18Å; F37-L184 HydrophobicContact CE1-CD2 3.63Å; F37-L184 HydrophobicContact CZ-CD2 3.84Å; L167-L184 CarbonylContact O-C 3.54Å; A168-L184 HydrophobicContact CB-CD2 3.74Å; L182-L184 HydrophobicContact CD1-CD2 4.14Å; L182-L184 HydrophobicContact CD2-CD2 4Å; L182-L184 HydrophobicContact CD2-CG 4.34Å; L182-L184 HydrophobicContact CG-CD2 4.09Å; L182-L184 HydrophobicContact CG-CG 4.45Å; L184-H186 VanDerWaalsContact C-N 3.34Å; L184-H186 PolarHBondContact O-N 3.36Å
185G94.2Very high97.2Very high21 Ų2133.9 Ų33.922%0.21621%0.214CC..SBendtrans84.2-0.2-17700000115.7T183 Q298T183-G185 PolarHBondContact OG1-N 3.05Å; G185-Q298 PolarHBondContact O-NE2 2.97Å; G185-Q298 PolarHBondContact O-OE1 3.33Å; G185-Q298 VanDerWaalsContact O-OE1 3.07Å
186H93.1Very high97Very high170 Ų17037.2 Ų37.279%0.78724%0.239SC*.SBendtrans-136.960.5-178.8-57.6-54.6000111.7L184L184-H186 VanDerWaalsContact C-N 3.34Å; L184-H186 PolarHBondContact O-N 3.36Å
187G96.9Very high96.8Very high19 Ų1935.1 Ų35.120%0.19622%0.22CC..  trans90.2167.2-179.600000114.3T183T183-G187 PolarHBondContact OG1-O 2.83Å
188V98.6Very high96.8Very high0 Ų034.3 Ų34.30%022%0.215CC..EExtended strand (participates in β ladder)trans-109.7138.2-171.9-175.50000110.7V181 K206 I207 L264 I295 Q298V181-V188 HydrophobicContact CG1-CG1 3.43Å; V181-V188 VanDerWaalsContact CG1-CG1 3.43Å; V188-K206 CarbonylContact O-C 3.51Å; V188-K206 WeakPolarHBondContact O-CA 3.48Å; V188-K206 PolarHBondContact O-N 3.44Å; V188-I207 HydrophobicContact CB-CB 4.14Å; V188-I207 HydrophobicContact CG1-CB 4.07Å; V188-I207 HydrophobicContact CG1-CD1 4.21Å; V188-I207 PolarHBondContact O-N 2.99Å; V188-L264 HydrophobicContact CG1-CD2 4.34Å; V188-I295 HydrophobicContact CG1-CG2 3.85Å; V188-I295 HydrophobicContact CG2-CG2 4.14Å; V188-I295 VanDerWaalsContact CG2-O 3.23Å; V188-I295 WeakPolarHBondContact CG2-O 3.17Å; V188-Q298 HydrophobicContact CG2-CB 3.64Å
189N98.5Very high96.7Very high13 Ų1337.3 Ų37.37%0.0723%0.229CC..EExtended strand (participates in β ladder)trans-136.3139.3177.2-58.2-90.5000110.3F22 V181 L182 F191 L202 H204 K206F22-N189 HydrophobicContact CZ-CB 4.32Å; F22-N189 WeakPolarHBondContact CZ-ND2 3.27Å; V181-N189 WeakPolarHBondContact CA-O 3.32Å; L182-N189 PolarHBondContact N-O 3Å; L182-N189 PolarHBondContact O-N 3.49Å; N189-F191 HydrophobicContact CB-CE2 3.75Å; N189-F191 HydrophobicContact CB-CZ 4.06Å; N189-L202 HydrophobicContact CB-CD1 4.03Å; N189-H204 WeakPolarHBondContact CA-O 3.12Å; N189-K206 PolarHBondContact OD1-N 2.68Å
190G98.4Very high96.6Very high0 Ų036.7 Ų36.70%023%0.226CC..EExtended strand (participates in β ladder)trans-109.2137.5176.600000111.9V180 T203 H204V180-G190 CarbonylContact O-C 3.53Å; V180-G190 WeakPolarHBondContact O-CA 3.45Å; G190-T203 PolarHBondContact O-N 2.93Å; G190-T203 VanDerWaalsContact O-N 3.09Å; G190-H204 PolarHBondContact N-O 2.9Å; G190-H204 PolarHBondContact O-N 2.87Å
191F98.4Very high96.5Very high0 Ų038.3 Ų38.30%023%0.234CC..EExtended strand (participates in β ladder)trans-126.7134.8-178.9-55-103.9000109.5L19 F22 M179 V180 N189 F200 I201 L202L19-F191 HydrophobicContact CB-CD1 3.69Å; L19-F191 HydrophobicContact CB-CE1 3.95Å; L19-F191 HydrophobicContact CB-CG 4.05Å; L19-F191 HydrophobicContact CB-CZ 4.5Å; L19-F191 HydrophobicContact CD1-CB 4.02Å; L19-F191 HydrophobicContact CD1-CD1 4.15Å; L19-F191 HydrophobicContact CD1-CD2 3.51Å; L19-F191 HydrophobicContact CD1-CE2 3.97Å; L19-F191 HydrophobicContact CD1-CG 3.64Å; L19-F191 HydrophobicContact CD1-CZ 4.47Å; L19-F191 HydrophobicContact CG-CD1 3.95Å; L19-F191 HydrophobicContact CG-CD2 3.97Å; L19-F191 HydrophobicContact CG-CE1 3.99Å; L19-F191 HydrophobicContact CG-CE2 4.01Å; L19-F191 HydrophobicContact CG-CG 3.96Å; L19-F191 HydrophobicContact CG-CZ 4.03Å; F22-F191 HydrophobicContact CB-CE1 3.86Å; F22-F191 HydrophobicContact CB-CZ 3.96Å; F22-F191 HydrophobicContact CD1-CE1 4.49Å; F22-F191 AromaticContact CD1-CZ 3.72Å; F22-F191 HydrophobicContact CD1-CZ 3.72Å; F22-F191 HydrophobicContact CD2-CE1 4.45Å; F22-F191 HydrophobicContact CD2-CZ 4.1Å; F22-F191 HydrophobicContact CE1-CZ 4.2Å; F22-F191 HydrophobicContact CG-CE1 4.04Å; F22-F191 AromaticContact CG-CZ 3.67Å; F22-F191 HydrophobicContact CG-CZ 3.67Å; M179-F191 CarbonylContact C-O 3.41Å; M179-F191 WeakPolarHBondContact CA-O 3.34Å; V180-F191 PolarHBondContact N-O 3.2Å; V180-F191 PolarHBondContact O-N 2.69Å; N189-F191 HydrophobicContact CB-CE2 3.75Å; N189-F191 HydrophobicContact CB-CZ 4.06Å; F191-F200 HydrophobicContact CB-CB 3.89Å; F191-F200 HydrophobicContact CB-CD1 4.41Å; F191-I201 CarbonylContact C-O 3.4Å; F191-I201 WeakPolarHBondContact CA-O 3.13Å; F191-L202 VanDerWaalsContact CD1-CA 3.5Å; F191-L202 HydrophobicContact CD1-CB 3.84Å; F191-L202 HydrophobicContact CD1-CD1 4.11Å; F191-L202 HydrophobicContact CE1-CB 3.77Å; F191-L202 HydrophobicContact CE1-CD1 3.7Å; F191-L202 HydrophobicContact CE1-CG 4.29Å; F191-L202 HydrophobicContact CE2-CD1 4.36Å; F191-L202 HydrophobicContact CZ-CD1 3.83Å
192T97.9Very high96.4Very high34 Ų3440.1 Ų40.121%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-102.8133.8178.4-55.90000109.5A177 M179 D194 F200 I201 T203A177-T192 HydrophobicContact CB-CG2 4.23Å; M179-T192 HydrophobicContact CG-CG2 4.42Å; T192-D194 PolarHBondContact O-N 2.75Å; T192-F200 WeakPolarHBondContact O-CA 3.31Å; T192-I201 PolarHBondContact N-O 2.8Å; T192-I201 PolarHBondContact O-N 3.4Å; T192-T203 PolarHBondContact N-OG1 2.86Å; T192-T203 WeakPolarHBondContact OG1-CG2 3.18Å; T192-T203 PolarHBondContact OG1-OG1 2.93Å
193L98Very high96.3Very high18 Ų1843 Ų439%0.09426%0.261CS..EExtended strand (participates in β ladder)trans-69.4120.6174.1-17862.1000109.5K49 T178 P195 F200K49-L193 HydrophobicContact CD-CD1 4.08Å; K49-L193 HydrophobicContact CG-CD1 4.06Å; T178-L193 HydrophobicContact CG2-CB 4.24Å; T178-L193 HydrophobicContact CG2-CD2 4.27Å; T178-L193 PolarHBondContact O-N 2.88Å; L193-P195 WeakPolarHBondContact O-CD 3.43Å; L193-F200 HydrophobicContact CB-CD1 3.93Å; L193-F200 HydrophobicContact CB-CE1 3.61Å; L193-F200 HydrophobicContact CB-CZ 4.18Å; L193-F200 HydrophobicContact CD1-CD1 4.45Å; L193-F200 HydrophobicContact CD1-CD2 4.4Å; L193-F200 HydrophobicContact CD1-CE1 4.28Å; L193-F200 HydrophobicContact CD1-CE2 4.24Å; L193-F200 HydrophobicContact CD1-CG 4.49Å; L193-F200 HydrophobicContact CD1-CZ 4.16Å; L193-F200 HydrophobicContact CG-CE1 4.42Å
194D95.2Very high96.2Very high64 Ų6446.3 Ų46.334%0.34228%0.277SS..EExtended strand (participates in β ladder)trans-84.1109.9160.7-176.5-26.4000108.1T192 A196 V197 G198 E199 I201T192-D194 PolarHBondContact O-N 2.75Å; D194-A196 PolarHBondContact O-N 2.99Å; D194-A196 WeakPolarHBondContact OD1-CB 3.38Å; D194-A196 PolarHBondContact OD1-N 3.38Å; D194-V197 HydrophobicContact CB-CG2 3.63Å; D194-G198 WeakPolarHBondContact O-CA 3.27Å; D194-G198 PolarHBondContact O-N 3.43Å; D194-E199 PolarHBondContact N-O 2.87Å; D194-E199 PolarHBondContact O-N 3.26Å; D194-I201 HydrophobicContact CB-CG1 4.38Å
195P94Very high96.2Very high106 Ų10648.4 Ų48.469%0.68829%0.292SS*.THydrogen-bonded Turntrans-70.5-18.4-17730.2-35.5000113.4L193L193-P195 WeakPolarHBondContact O-CD 3.43Å
196A93.6Very high96.3Very high94 Ų9455.4 Ų55.478%0.77732%0.317SS*.THydrogen-bonded Turntrans-76.5-36.2-179.200000111.9D194D194-A196 PolarHBondContact O-N 2.99Å; D194-A196 WeakPolarHBondContact OD1-CB 3.38Å; D194-A196 PolarHBondContact OD1-N 3.38Å
197V92.7Very high96.6Very high97 Ų9747.9 Ų47.959%0.58828%0.283SS*.THydrogen-bonded Turntrans-102-18.7177.7-63.60000113.5D194 E199D194-V197 HydrophobicContact CB-CG2 3.63Å; V197-E199 HydrophobicContact CG2-CB 3.93Å; V197-E199 HydrophobicContact CG2-CG 4.42Å
198G95.4Very high96.7Very high22 Ų2252.7 Ų52.723%0.22730%0.3CS..THydrogen-bonded Turntrans75.628.1-178.700000113.8K49 D194K49-G198 WeakPolarHBondContact CD-O 3.15Å; K49-G198 PolarHBondContact NZ-O 3.3Å; D194-G198 WeakPolarHBondContact O-CA 3.27Å; D194-G198 PolarHBondContact O-N 3.43Å
199E96.1Very high96.7Very high66 Ų6653.2 Ų53.231%0.30830%0.303SS..EExtended strand (participates in β ladder)trans-120.1144.1-177.3-74.5-62.2142.700112T18 D194 V197 I201T18-E199 HydrophobicContact CG2-CB 4.32Å; T18-E199 HydrophobicContact CG2-CG 4.41Å; D194-E199 PolarHBondContact N-O 2.87Å; D194-E199 PolarHBondContact O-N 3.26Å; V197-E199 HydrophobicContact CG2-CB 3.93Å; V197-E199 HydrophobicContact CG2-CG 4.42Å; E199-I201 HydrophobicContact CB-CD1 4.11Å
200F97.9Very high96.7Very high4 Ų454.8 Ų54.82%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-87.6111.8172.8-78-75.6000109.6T18 L19 L45 V48 K49 T178 V180 F191 T192 L193T18-F200 CarbonylContact C-O 3.6Å; T18-F200 VanDerWaalsContact CA-O 3.25Å; T18-F200 WeakPolarHBondContact CA-O 3.36Å; L19-F200 HydrophobicContact CB-CB 3.74Å; L19-F200 HydrophobicContact CD1-CB 4.18Å; L19-F200 PolarHBondContact N-O 3.06Å; L45-F200 HydrophobicContact CB-CD2 4.44Å; L45-F200 HydrophobicContact CB-CE2 4.34Å; L45-F200 HydrophobicContact CD2-CD2 4.09Å; L45-F200 HydrophobicContact CD2-CE2 4.14Å; V48-F200 HydrophobicContact CG1-CE2 4.35Å; V48-F200 HydrophobicContact CG1-CZ 3.75Å; K49-F200 HydrophobicContact CD-CE2 4.32Å; K49-F200 HydrophobicContact CG-CE2 3.75Å; K49-F200 HydrophobicContact CG-CZ 4.29Å; T178-F200 HydrophobicContact CG2-CE1 4.05Å; T178-F200 HydrophobicContact CG2-CZ 4.25Å; V180-F200 HydrophobicContact CB-CD1 4.19Å; V180-F200 HydrophobicContact CB-CE1 4.1Å; V180-F200 HydrophobicContact CG2-CD1 3.99Å; V180-F200 HydrophobicContact CG2-CE1 3.45Å; V180-F200 VanDerWaalsContact CG2-CE1 3.45Å; V180-F200 HydrophobicContact CG2-CE2 4.11Å; V180-F200 HydrophobicContact CG2-CZ 3.53Å; F191-F200 HydrophobicContact CB-CB 3.89Å; F191-F200 HydrophobicContact CB-CD1 4.41Å; T192-F200 WeakPolarHBondContact O-CA 3.31Å; L193-F200 HydrophobicContact CB-CD1 3.93Å; L193-F200 HydrophobicContact CB-CE1 3.61Å; L193-F200 HydrophobicContact CB-CZ 4.18Å; L193-F200 HydrophobicContact CD1-CD1 4.45Å; L193-F200 HydrophobicContact CD1-CD2 4.4Å; L193-F200 HydrophobicContact CD1-CE1 4.28Å; L193-F200 HydrophobicContact CD1-CE2 4.24Å; L193-F200 HydrophobicContact CD1-CG 4.49Å; L193-F200 HydrophobicContact CD1-CZ 4.16Å; L193-F200 HydrophobicContact CG-CE1 4.42Å
201I96.5Very high96.6Very high36 Ų3663.4 Ų63.419%0.18535%0.346CS..EExtended strand (participates in β ladder)trans-96.2135-178.5-52.3-54.6000110T18 F191 T192 D194 E199 T203T18-I201 HydrophobicContact CG2-CD1 3.96Å; F191-I201 CarbonylContact C-O 3.4Å; F191-I201 WeakPolarHBondContact CA-O 3.13Å; T192-I201 PolarHBondContact N-O 2.8Å; T192-I201 PolarHBondContact O-N 3.4Å; D194-I201 HydrophobicContact CB-CG1 4.38Å; E199-I201 HydrophobicContact CB-CD1 4.11Å; I201-T203 PolarHBondContact O-N 3.25Å; I201-T203 VanDerWaalsContact O-N 3.12Å
202L96.7Very high96.6Very high38 Ų3868.1 Ų68.120%0.19936%0.364CS..EExtended strand (participates in β ladder)trans-62.5113.1175.8-179.965.3000110.1I17 N189 F191 P205I17-L202 HydrophobicContact CB-CB 4.1Å; I17-L202 HydrophobicContact CB-CD2 4.25Å; I17-L202 HydrophobicContact CD1-CD2 4.19Å; I17-L202 HydrophobicContact CG2-CB 4.44Å; I17-L202 HydrophobicContact CG2-CD2 4.36Å; I17-L202 WeakPolarHBondContact O-CB 3.38Å; I17-L202 PolarHBondContact O-N 2.9Å; N189-L202 HydrophobicContact CB-CD1 4.03Å; F191-L202 VanDerWaalsContact CD1-CA 3.5Å; F191-L202 HydrophobicContact CD1-CB 3.84Å; F191-L202 HydrophobicContact CD1-CD1 4.11Å; F191-L202 HydrophobicContact CE1-CB 3.77Å; F191-L202 HydrophobicContact CE1-CD1 3.7Å; F191-L202 HydrophobicContact CE1-CG 4.29Å; F191-L202 HydrophobicContact CE2-CD1 4.36Å; F191-L202 HydrophobicContact CZ-CD1 3.83Å; L202-P205 HydrophobicContact CD1-CB 4.39Å; L202-P205 HydrophobicContact CD2-CB 4.27Å; L202-P205 HydrophobicContact CG-CB 4.47Å
203T95.9Very high96.5Very high63 Ų6366.9 Ų66.939%0.38736%0.358SS..EExtended strand (participates in β ladder)trans-116.4-24.5-179.849.60000112.4G190 T192 I201G190-T203 PolarHBondContact O-N 2.93Å; G190-T203 VanDerWaalsContact O-N 3.09Å; T192-T203 PolarHBondContact N-OG1 2.86Å; T192-T203 WeakPolarHBondContact OG1-CG2 3.18Å; T192-T203 PolarHBondContact OG1-OG1 2.93Å; I201-T203 PolarHBondContact O-N 3.25Å; I201-T203 VanDerWaalsContact O-N 3.12Å
204H96.4Very high96.4Very high70 Ų7072.7 Ų72.732%0.32438%0.379SS..EExtended strand (participates in β ladder)trans-130.978-176.6-60.175.4000110.2M179 N189 G190 I207M179-H204 VanDerWaalsContact CE-CE1 3.47Å; M179-H204 WeakPolarHBondContact CE-CE1 3.15Å; M179-H204 WeakPolarHBondContact CE-ND1 3.35Å; N189-H204 WeakPolarHBondContact CA-O 3.12Å; G190-H204 PolarHBondContact N-O 2.9Å; G190-H204 PolarHBondContact O-N 2.87Å; H204-I207 HydrophobicContact CB-CD1 3.82Å; H204-I207 HydrophobicContact CB-CG1 3.84Å; H204-I207 WeakPolarHBondContact O-CG1 3.37Å
205P96Very high96.6Very high81 Ų8170.6 Ų70.653%0.52637%0.367SS..EExtended strand (participates in β ladder)trans-70.2140.8177.129.3-34000111.3L202 I207L202-P205 HydrophobicContact CD1-CB 4.39Å; L202-P205 HydrophobicContact CD2-CB 4.27Å; L202-P205 HydrophobicContact CG-CB 4.47Å; P205-I207 PolarHBondContact O-N 2.97Å
206K96.8Very high96.8Very high168 Ų16866 Ų6673%0.7334%0.336SS*.EExtended strand (participates in β ladder)trans50.353.9172-55.8177.6-177.8176.50113.4V188 N189 Q208V188-K206 CarbonylContact O-C 3.51Å; V188-K206 WeakPolarHBondContact O-CA 3.48Å; V188-K206 PolarHBondContact O-N 3.44Å; N189-K206 PolarHBondContact OD1-N 2.68Å; K206-Q208 PolarHBondContact O-N 3.46Å
207I98.4Very high97Very high13 Ų1361.6 Ų61.67%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-55132.2176.8-58.8177.4000109.1V181 V188 H204 P205 L264 I265V181-I207 HydrophobicContact CG1-CD1 4.35Å; V188-I207 HydrophobicContact CB-CB 4.14Å; V188-I207 HydrophobicContact CG1-CB 4.07Å; V188-I207 HydrophobicContact CG1-CD1 4.21Å; V188-I207 PolarHBondContact O-N 2.99Å; H204-I207 HydrophobicContact CB-CD1 3.82Å; H204-I207 HydrophobicContact CB-CG1 3.84Å; H204-I207 WeakPolarHBondContact O-CG1 3.37Å; P205-I207 PolarHBondContact O-N 2.97Å; I207-L264 HydrophobicContact CD1-CD2 4.39Å; I207-L264 HydrophobicContact CG2-CD1 3.71Å; I207-L264 HydrophobicContact CG2-CD2 4.01Å; I207-L264 HydrophobicContact CG2-CG 3.61Å; I207-I265 HydrophobicContact CD1-CD1 4.19Å; I207-I265 HydrophobicContact CG2-CD1 4.02Å
208Q98.4Very high97.3Very high119 Ų11957.3 Ų57.356%0.55627%0.273SS*.  trans-127.6130.2174.5-66-64.9-74.200108.5K206 G299K206-Q208 PolarHBondContact O-N 3.46Å; Q208-G299 CarbonylContact C-O 3.46Å; Q208-G299 VanDerWaalsContact CA-O 3.3Å; Q208-G299 WeakPolarHBondContact CA-O 3.3Å
209V98.4Very high97.4Very high11 Ų1158.6 Ų58.67%0.06728%0.275CS..  trans-70.2129.9174.4-170.70000107.5R211 L264 M296 G299V209-R211 PolarHBondContact O-N 2.78Å; V209-L264 HydrophobicContact CG2-CD1 3.51Å; V209-M296 HydrophobicContact CB-SD 4.48Å; V209-M296 HydrophobicContact CG1-SD 4.18Å; V209-M296 HydrophobicContact CG2-SD 3.5Å; V209-M296 VanDerWaalsContact CG2-SD 3.5Å; V209-G299 PolarHBondContact N-O 3Å
210P98.5Very high97.5Very high47 Ų4758.4 Ų58.431%0.30527%0.274SS..  trans-52.6137.3169.1-27.636000110.8R212 S328P210-R212 PolarHBondContact O-N 2.61Å; P210-S328 WeakPolarHBondContact O-CA 3.13Å; P210-S328 WeakPolarHBondContact O-CB 3.18Å; P210-S328 PolarHBondContact O-OG 3.06Å
211R98Very high97.4Very high180 Ų18062.4 Ų62.468%0.67930%0.303SS*.SBendtrans-59.4-34.3-175.1-165.6-171.8160.9133.83.4112.9V209 S328 A329 D330V209-R211 PolarHBondContact O-N 2.78Å; R211-S328 CarbonylContact O-C 3.51Å; R211-S328 WeakPolarHBondContact O-CB 3.24Å; R211-A329 PolarHBondContact O-N 3.31Å; R211-D330 WeakPolarHBondContact CD-OD2 3.16Å; R211-D330 WeakPolarHBondContact CG-OD2 3.22Å; R211-D330 IonicContact CZ-OD1 3.06Å; R211-D330 VanDerWaalsContact NE-CG 3.32Å; R211-D330 IonicContact NE-OD1 3.92Å; R211-D330 PolarHBondContact NE-OD1 2.86Å; R211-D330 IonicContact NE-OD2 2.84Å; R211-D330 PolarHBondContact NE-OD2 3.38Å; R211-D330 IonicContact NH2-OD1 2.93Å; R211-D330 PolarHBondContact NH2-OD1 3.44Å; R211-D330 WeakPolarHBondContact O-CB 3.35Å; R211-D330 PolarHBondContact O-N 3.17Å
212R97.8Very high97.4Very high100 Ų10062.1 Ų62.138%0.37730%0.301SS..SBendtrans-137140.7172-178.9172.4-70.8-87.72.7108.5P210 Y248 D330 D331 D334P210-R212 PolarHBondContact O-N 2.61Å; R212-Y248 PolarHBondContact NH1-OH 3.2Å; R212-D330 HydrophobicContact CB-CB 4.18Å; R212-D331 IonicContact NH1-OD1 2.69Å; R212-D334 IonicContact CZ-OD2 3.45Å; R212-D334 IonicContact NH1-OD2 3.18Å; R212-D334 PolarHBondContact NH1-OD2 2.78Å; R212-D334 IonicContact NH2-OD1 3.06Å; R212-D334 PolarHBondContact NH2-OD1 2.97Å; R212-D334 IonicContact NH2-OD2 2.83Å; R212-D334 PolarHBondContact NH2-OD2 3.47Å
213G96.1Very high97.4Very high7 Ų762.3 Ų62.37%0.07230%0.304CS..  trans-114.5-165.6171.400000113.2Y248 S328 D331G213-Y248 WeakPolarHBondContact O-CE1 3.28Å; G213-Y248 PolarHBondContact O-OH 3.31Å; G213-S328 PolarHBondContact N-OG 2.85Å; G213-D331 PolarHBondContact N-OD2 2.88Å
214R95.7Very high97.5Very high140 Ų14067 Ų6753%0.52832%0.319SS..SBendtrans-134.323.9178.8-67.2-68.6-172.8163.3-1.3111.8Y248 Q249R214-Y248 VanDerWaalsContact C-CD1 3.49Å; R214-Y248 WeakPolarHBondContact O-CA 3.1Å; R214-Q249 PolarHBondContact O-N 2.82Å
215I98.3Very high97.5Very high20 Ų2066 Ų6610%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-129.3134.2-176.8-58.5174.7000108.8Q249 R251 Y266 G268 I269I215-Q249 VanDerWaalsContact CA-O 3.27Å; I215-Q249 WeakPolarHBondContact CA-O 3.36Å; I215-Q249 HydrophobicContact CG1-CB 4.44Å; I215-R251 HydrophobicContact CG2-CB 3.88Å; I215-R251 HydrophobicContact CG2-CG 3.97Å; I215-Y266 HydrophobicContact CD1-CD2 4.38Å; I215-G268 CarbonylContact O-C 3.28Å; I215-G268 WeakPolarHBondContact O-CA 3.41Å; I215-I269 PolarHBondContact O-N 3.29Å
216Y98.5Very high97.5Very high11 Ų1163.2 Ų63.24%0.04329%0.292CS..EExtended strand (participates in β ladder)trans-116.9142.7164.475-88.4000110.2I218 E220 V234 K237 K238 Q249 A250 R251 I269 M271Y216-I218 HydrophobicContact CD2-CG2 3.79Å; Y216-I218 HydrophobicContact CE2-CG2 3.95Å; Y216-E220 VanDerWaalsContact CE2-OE1 3.28Å; Y216-E220 WeakPolarHBondContact CE2-OE1 3.13Å; Y216-E220 PolarHBondContact OH-OE1 3.33Å; Y216-V234 HydrophobicContact CE2-CG1 4.14Å; Y216-K237 HydrophobicContact CD1-CB 4.29Å; Y216-K238 WeakPolarHBondContact OH-CE 3.25Å; Y216-Q249 PolarHBondContact N-O 3.28Å; Y216-A250 HydrophobicContact CE1-CB 3.87Å; Y216-A250 HydrophobicContact CE2-CB 4.06Å; Y216-A250 WeakPolarHBondContact OH-CB 3.41Å; Y216-R251 PolarHBondContact O-N 2.89Å; Y216-I269 CarbonylContact C-O 3.52Å; Y216-I269 WeakPolarHBondContact CA-O 3.49Å; Y216-M271 HydrophobicContact CD2-CE 4.46Å
217S98.7Very high97.5Very high0 Ų058.5 Ų58.50%028%0.275CS..EExtended strand (participates in β ladder)trans-129.6105.6-176.7-179.20000110.8R251 D259 R262 I269 M271S217-R251 WeakPolarHBondContact CA-O 3.14Å; S217-R251 WeakPolarHBondContact CB-O 3.47Å; S217-R251 PolarHBondContact OG-O 3Å; S217-D259 PolarHBondContact OG-OD1 3.02Å; S217-R262 PolarHBondContact OG-NH2 2.76Å; S217-I269 PolarHBondContact N-O 3.4Å; S217-M271 PolarHBondContact O-N 2.94Å
218I98.5Very high97.4Very high8 Ų863.8 Ų63.84%0.04130%0.297CS..  trans-156.1149.6-178.8-167.1170.2000110.3Y216 E220 W226 T230 V234 Y252 M271 P273Y216-I218 HydrophobicContact CD2-CG2 3.79Å; Y216-I218 HydrophobicContact CE2-CG2 3.95Å; I218-E220 HydrophobicContact CG2-CG 3.97Å; I218-E220 PolarHBondContact O-N 3.2Å; I218-E220 VanDerWaalsContact O-N 3.14Å; I218-W226 HydrophobicContact CD1-CD2 4.34Å; I218-W226 HydrophobicContact CD1-CE3 4.47Å; I218-W226 HydrophobicContact CD1-CH2 3.5Å; I218-W226 VanDerWaalsContact CD1-CH2 3.5Å; I218-W226 HydrophobicContact CD1-CZ2 3.32Å; I218-W226 HydrophobicContact CD1-CZ3 4.1Å; I218-W226 HydrophobicContact CG1-CH2 3.83Å; I218-W226 HydrophobicContact CG1-CZ2 3.51Å; I218-W226 HydrophobicContact CG2-CH2 3.99Å; I218-W226 HydrophobicContact CG2-CZ2 4.49Å; I218-T230 HydrophobicContact CD1-CG2 3.99Å; I218-V234 HydrophobicContact CD1-CG2 4.33Å; I218-V234 HydrophobicContact CG2-CG2 4.29Å; I218-Y252 VanDerWaalsContact C-CD2 3.48Å; I218-M271 HydrophobicContact CB-CB 4.15Å; I218-M271 HydrophobicContact CB-CE 3.91Å; I218-M271 HydrophobicContact CD1-CB 3.84Å; I218-M271 HydrophobicContact CD1-CE 3.94Å; I218-M271 HydrophobicContact CG1-CB 4.07Å; I218-M271 HydrophobicContact CG1-CE 4.47Å; I218-M271 WeakPolarHBondContact CG1-O 3.22Å; I218-M271 HydrophobicContact CG2-CE 4Å; I218-P273 HydrophobicContact CD1-CG 4.09Å
219N97.7Very high97.3Very high49 Ų4958.3 Ų58.326%0.26227%0.272SS..  trans-79.689.5173.9-175.3-7.8000112S221 L222 W226 Y252N219-S221 PolarHBondContact ND2-OG 3.49Å; N219-S221 PolarHBondContact O-N 3.2Å; N219-S221 WeakPolarHBondContact OD1-CB 3.29Å; N219-S221 PolarHBondContact OD1-N 3.34Å; N219-S221 PolarHBondContact OD1-OG 3.48Å; N219-L222 PolarHBondContact O-N 3.03Å; N219-W226 WeakPolarHBondContact O-CZ2 3.36Å; N219-Y252 HydrophobicContact CB-CD1 4.37Å; N219-Y252 HydrophobicContact CB-CE1 3.77Å; N219-Y252 HydrophobicContact CB-CE2 4.18Å
220E97.8Very high97.2Very high61 Ų6157.8 Ų57.829%0.28527%0.269SS..G310 helixtrans-61.2-13.1-177.7-63.2-157.7-133.500115.8Y216 I218 L222 T223 W226 K238Y216-E220 VanDerWaalsContact CE2-OE1 3.28Å; Y216-E220 WeakPolarHBondContact CE2-OE1 3.13Å; Y216-E220 PolarHBondContact OH-OE1 3.33Å; I218-E220 HydrophobicContact CG2-CG 3.97Å; I218-E220 PolarHBondContact O-N 3.2Å; I218-E220 VanDerWaalsContact O-N 3.14Å; E220-L222 PolarHBondContact O-N 2.89Å; E220-L222 VanDerWaalsContact O-N 3.11Å; E220-T223 WeakPolarHBondContact O-CB 3.41Å; E220-T223 PolarHBondContact O-N 3.08Å; E220-T223 VanDerWaalsContact O-N 3.1Å; E220-T223 PolarHBondContact O-OG1 3.23Å; E220-W226 HydrophobicContact CB-CH2 4.33Å; E220-W226 HydrophobicContact CG-CH2 4.15Å; E220-K238 IonicContact OE1-NZ 2.76Å; E220-K238 WeakPolarHBondContact OE2-CE 3.38Å; E220-K238 IonicContact OE2-NZ 3.45Å; E220-K238 PolarHBondContact OE2-NZ 3.39Å
221S96.1Very high97.1Very high89 Ų8957.5 Ų57.562%0.62227%0.266SS*.G310 helixtrans-62-18.7171.473.50000113.1N219N219-S221 PolarHBondContact ND2-OG 3.49Å; N219-S221 PolarHBondContact O-N 3.2Å; N219-S221 WeakPolarHBondContact OD1-CB 3.29Å; N219-S221 PolarHBondContact OD1-N 3.34Å; N219-S221 PolarHBondContact OD1-OG 3.48Å
222L96.3Very high97Very high30 Ų3052.2 Ų52.216%0.15725%0.249CC..G310 helixtrans-90.73.5178.5-62.7178.1000114N219 E220 K224 Y225 W226N219-L222 PolarHBondContact O-N 3.03Å; E220-L222 PolarHBondContact O-N 2.89Å; E220-L222 VanDerWaalsContact O-N 3.11Å; L222-K224 PolarHBondContact O-N 3.02Å; L222-K224 VanDerWaalsContact O-N 3.07Å; L222-Y225 HydrophobicContact CD2-CD2 3.92Å; L222-Y225 HydrophobicContact CD2-CE2 4.41Å; L222-Y225 WeakPolarHBondContact O-CA 3.32Å; L222-Y225 WeakPolarHBondContact O-CB 3.31Å; L222-Y225 PolarHBondContact O-N 3.25Å; L222-W226 HydrophobicContact CB-CZ2 4.16Å; L222-W226 VanDerWaalsContact CB-NE1 3.33Å; L222-W226 PolarHBondContact O-N 3.34Å
223T97.1Very high96.9Very high42 Ų4247.4 Ų47.426%0.25823%0.231SC..G310 helixtrans-48.2-43-175.2-59.90000113.7E220 Y225 W226 V231E220-T223 WeakPolarHBondContact O-CB 3.41Å; E220-T223 PolarHBondContact O-N 3.08Å; E220-T223 VanDerWaalsContact O-N 3.1Å; E220-T223 PolarHBondContact O-OG1 3.23Å; T223-Y225 PolarHBondContact O-N 3.49Å; T223-Y225 VanDerWaalsContact O-N 3.15Å; T223-W226 HydrophobicContact CG2-CE3 4.18Å; T223-W226 HydrophobicContact CG2-CZ3 4.18Å; T223-W226 PolarHBondContact O-N 3.2Å; T223-W226 WeakPolarHBondContact OG1-CZ3 3.26Å; T223-V231 HydrophobicContact CG2-CG2 4.41Å
224K96.9Very high97Very high162 Ų16247.2 Ų47.270%0.70423%0.229SC*.G310 helixtrans-68.1-10.9-179.774.3-175.2-171.5-177.80115L222L222-K224 PolarHBondContact O-N 3.02Å; L222-K224 VanDerWaalsContact O-N 3.07Å
225Y97Very high96.9Very high47 Ų4743.9 Ų43.918%0.18422%0.22CC..G310 helixtrans-111.2-4.7-176.5-56.4-61.9000113.1L222 T223 S275 T276 K277L222-Y225 HydrophobicContact CD2-CD2 3.92Å; L222-Y225 HydrophobicContact CD2-CE2 4.41Å; L222-Y225 WeakPolarHBondContact O-CA 3.32Å; L222-Y225 WeakPolarHBondContact O-CB 3.31Å; L222-Y225 PolarHBondContact O-N 3.25Å; T223-Y225 PolarHBondContact O-N 3.49Å; T223-Y225 VanDerWaalsContact O-N 3.15Å; Y225-S275 CarbonylContact O-C 3.52Å; Y225-S275 VanDerWaalsContact O-CA 3.23Å; Y225-S275 WeakPolarHBondContact O-CA 3.35Å; Y225-S275 WeakPolarHBondContact O-CB 3.46Å; Y225-T276 WeakPolarHBondContact CB-OG1 3.39Å; Y225-T276 VanDerWaalsContact CD1-OG1 3.24Å; Y225-T276 WeakPolarHBondContact CD1-OG1 3.49Å; Y225-T276 PolarHBondContact O-N 3.48Å; Y225-K277 HydrophobicContact CD1-CD 4.49Å; Y225-K277 HydrophobicContact CD1-CG 4.17Å; Y225-K277 HydrophobicContact CD2-CD 3.93Å; Y225-K277 HydrophobicContact CD2-CG 4.33Å; Y225-K277 HydrophobicContact CE1-CD 4.18Å; Y225-K277 HydrophobicContact CE1-CG 4.09Å; Y225-K277 HydrophobicContact CE2-CD 3.58Å; Y225-K277 HydrophobicContact CE2-CG 4.28Å; Y225-K277 HydrophobicContact CG-CD 4.35Å; Y225-K277 HydrophobicContact CG-CG 4.25Å; Y225-K277 WeakPolarHBondContact OH-CE 3.48Å; Y225-K277 PolarHBondContact OH-NZ 2.93Å; Y225-K277 VanDerWaalsContact OH-NZ 3.11Å
226W97.2Very high96.7Very high24 Ų2445.3 Ų45.39%0.09123%0.228CC..SBendtrans-78.7160.9178.8-62.4-26.3000112.3I218 N219 E220 L222 T223 T230 V231 V234I218-W226 HydrophobicContact CD1-CD2 4.34Å; I218-W226 HydrophobicContact CD1-CE3 4.47Å; I218-W226 HydrophobicContact CD1-CH2 3.5Å; I218-W226 VanDerWaalsContact CD1-CH2 3.5Å; I218-W226 HydrophobicContact CD1-CZ2 3.32Å; I218-W226 HydrophobicContact CD1-CZ3 4.1Å; I218-W226 HydrophobicContact CG1-CH2 3.83Å; I218-W226 HydrophobicContact CG1-CZ2 3.51Å; I218-W226 HydrophobicContact CG2-CH2 3.99Å; I218-W226 HydrophobicContact CG2-CZ2 4.49Å; N219-W226 WeakPolarHBondContact O-CZ2 3.36Å; E220-W226 HydrophobicContact CB-CH2 4.33Å; E220-W226 HydrophobicContact CG-CH2 4.15Å; L222-W226 HydrophobicContact CB-CZ2 4.16Å; L222-W226 VanDerWaalsContact CB-NE1 3.33Å; L222-W226 PolarHBondContact O-N 3.34Å; T223-W226 HydrophobicContact CG2-CE3 4.18Å; T223-W226 HydrophobicContact CG2-CZ3 4.18Å; T223-W226 PolarHBondContact O-N 3.2Å; T223-W226 WeakPolarHBondContact OG1-CZ3 3.26Å; W226-T230 HydrophobicContact CB-CG2 4.08Å; W226-T230 HydrophobicContact CD2-CG2 3.81Å; W226-T230 HydrophobicContact CE3-CG2 3.82Å; W226-T230 HydrophobicContact CG-CG2 3.93Å; W226-V231 HydrophobicContact CB-CG2 3.96Å; W226-V231 HydrophobicContact CE3-CG2 4.19Å; W226-V234 HydrophobicContact CZ3-CB 4.43Å; W226-V234 HydrophobicContact CZ3-CG1 4.44Å; W226-V234 HydrophobicContact CZ3-CG2 4.14Å
227D95.4Very high96.5Very high69 Ų6945.8 Ų45.837%0.36923%0.23SC..  trans-67.9162.5165.762.541.1000111.9A229 T230 V231D227-A229 VanDerWaalsContact C-N 3.27Å; D227-A229 PolarHBondContact O-N 2.78Å; D227-A229 PolarHBondContact OD1-N 3.21Å; D227-T230 PolarHBondContact O-N 2.74Å; D227-T230 WeakPolarHBondContact OD1-CB 3.26Å; D227-T230 PolarHBondContact OD1-N 3.24Å; D227-T230 PolarHBondContact OD1-OG1 3.13Å; D227-V231 WeakPolarHBondContact O-CG2 3.39Å; D227-V231 PolarHBondContact O-N 3.24Å; D227-V231 VanDerWaalsContact O-N 3.12Å
228K96.2Very high96.3Very high123 Ų12348.4 Ų48.454%0.53524%0.241SC..Hα-helixtrans-61-35.7-179.4-66.8-176.2179.8-1790112.6V231 Q232 F342K228-V231 PolarHBondContact O-N 3.17Å; K228-Q232 WeakPolarHBondContact O-CB 3.39Å; K228-Q232 PolarHBondContact O-N 2.58Å; K228-F342 HydrophobicContact CB-CD1 3.69Å; K228-F342 HydrophobicContact CB-CE1 3.85Å; K228-F342 HydrophobicContact CB-CG 4.26Å; K228-F342 HydrophobicContact CD-CD1 4.26Å; K228-F342 HydrophobicContact CD-CE1 4.36Å
229A96.4Very high95.7Very high4 Ų448.9 Ų48.93%0.03325%0.246CC..Hα-helixtrans-62.4-46.4-17900000111.7D227 Q232 Y233 V339 F342D227-A229 VanDerWaalsContact C-N 3.27Å; D227-A229 PolarHBondContact O-N 2.78Å; D227-A229 PolarHBondContact OD1-N 3.21Å; A229-Q232 PolarHBondContact O-N 3.18Å; A229-Y233 VanDerWaalsContact O-CB 3.32Å; A229-Y233 WeakPolarHBondContact O-CB 3.43Å; A229-Y233 PolarHBondContact O-N 3.15Å; A229-V339 HydrophobicContact CB-CG2 4.14Å; A229-F342 HydrophobicContact CB-CB 4.07Å; A229-F342 HydrophobicContact CB-CD2 3.9Å; A229-F342 HydrophobicContact CB-CG 4.24Å
230T97.1Very high94.8Very high0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-65.8-45.6178-58.70000110.8I218 W226 D227 Q232 Y233 V234 P273 Y335I218-T230 HydrophobicContact CD1-CG2 3.99Å; W226-T230 HydrophobicContact CB-CG2 4.08Å; W226-T230 HydrophobicContact CD2-CG2 3.81Å; W226-T230 HydrophobicContact CE3-CG2 3.82Å; W226-T230 HydrophobicContact CG-CG2 3.93Å; D227-T230 PolarHBondContact O-N 2.74Å; D227-T230 WeakPolarHBondContact OD1-CB 3.26Å; D227-T230 PolarHBondContact OD1-N 3.24Å; D227-T230 PolarHBondContact OD1-OG1 3.13Å; T230-Q232 VanDerWaalsContact C-N 3.35Å; T230-Q232 PolarHBondContact O-N 3.04Å; T230-Y233 PolarHBondContact O-N 3.37Å; T230-V234 WeakPolarHBondContact O-CG2 3.37Å; T230-V234 PolarHBondContact O-N 2.9Å; T230-P273 HydrophobicContact CG2-CB 4.41Å; T230-P273 HydrophobicContact CG2-CG 3.78Å; T230-Y335 PolarHBondContact OG1-OH 3.12Å
231V96.8Very high93.4Very high41 Ų4154.8 Ų54.825%0.24829%0.286CS..Hα-helixtrans-57.3-50.7176.31730000110.2T223 W226 D227 K228 V234 M235T223-V231 HydrophobicContact CG2-CG2 4.41Å; W226-V231 HydrophobicContact CB-CG2 3.96Å; W226-V231 HydrophobicContact CE3-CG2 4.19Å; D227-V231 WeakPolarHBondContact O-CG2 3.39Å; D227-V231 PolarHBondContact O-N 3.24Å; D227-V231 VanDerWaalsContact O-N 3.12Å; K228-V231 PolarHBondContact O-N 3.17Å; V231-V234 PolarHBondContact O-N 3.14Å; V231-M235 HydrophobicContact CG1-CG 4.34Å; V231-M235 VanDerWaalsContact O-CG 3.27Å; V231-M235 WeakPolarHBondContact O-CG 3.32Å; V231-M235 PolarHBondContact O-N 3.02Å
232Q95.8Very high92.1Very high69 Ų6953.1 Ų53.132%0.32227%0.272SS..Hα-helixtrans-64-45.5-177.8-171.260.444.600111.7K228 A229 T230 V234 M235 D236 Y338 F342K228-Q232 WeakPolarHBondContact O-CB 3.39Å; K228-Q232 PolarHBondContact O-N 2.58Å; A229-Q232 PolarHBondContact O-N 3.18Å; T230-Q232 VanDerWaalsContact C-N 3.35Å; T230-Q232 PolarHBondContact O-N 3.04Å; Q232-V234 VanDerWaalsContact C-N 3.34Å; Q232-V234 PolarHBondContact O-N 3.03Å; Q232-M235 PolarHBondContact O-N 3.42Å; Q232-D236 VanDerWaalsContact NE2-CG 3.25Å; Q232-D236 PolarHBondContact NE2-OD1 3.24Å; Q232-D236 PolarHBondContact NE2-OD2 3Å; Q232-D236 PolarHBondContact O-N 2.95Å; Q232-Y338 HydrophobicContact CB-CD1 4.12Å; Q232-Y338 HydrophobicContact CB-CE1 4.38Å; Q232-Y338 HydrophobicContact CG-CD1 3.91Å; Q232-Y338 HydrophobicContact CG-CE1 3.75Å; Q232-F342 HydrophobicContact CB-CE2 3.78Å; Q232-F342 HydrophobicContact CB-CZ 3.89Å; Q232-F342 HydrophobicContact CG-CE2 4.04Å; Q232-F342 HydrophobicContact CG-CZ 4.07Å
233Y96.4Very high90.9Very high0 Ų060.5 Ų60.50%031%0.312CS..Hα-helixtrans-55.3-48176.5177.4-100.9000111.9A229 T230 D236 K237 I269 M271 D331 D334 Y335 Y338A229-Y233 VanDerWaalsContact O-CB 3.32Å; A229-Y233 WeakPolarHBondContact O-CB 3.43Å; A229-Y233 PolarHBondContact O-N 3.15Å; T230-Y233 PolarHBondContact O-N 3.37Å; Y233-D236 PolarHBondContact O-N 2.78Å; Y233-K237 HydrophobicContact CD1-CG 4.5Å; Y233-K237 HydrophobicContact CE1-CG 4.14Å; Y233-K237 HydrophobicContact CE2-CG 4.43Å; Y233-K237 WeakPolarHBondContact O-CG 3.26Å; Y233-K237 PolarHBondContact O-N 2.81Å; Y233-K237 VanDerWaalsContact O-N 3.08Å; Y233-K237 WeakPolarHBondContact OH-CE 3.38Å; Y233-I269 HydrophobicContact CE1-CD1 4.04Å; Y233-I269 HydrophobicContact CE1-CG2 4.14Å; Y233-I269 WeakPolarHBondContact OH-CD1 3.39Å; Y233-M271 HydrophobicContact CD1-CE 4.07Å; Y233-M271 HydrophobicContact CD1-SD 3.68Å; Y233-M271 HydrophobicContact CE1-CE 3.91Å; Y233-M271 HydrophobicContact CE1-SD 3.53Å; Y233-M271 VanDerWaalsContact CE1-SD 3.53Å; Y233-D331 PolarHBondContact OH-O 3.47Å; Y233-D334 HydrophobicContact CE2-CB 3.92Å; Y233-Y335 AromaticContact CD1-CD2 3.89Å; Y233-Y335 HydrophobicContact CD1-CD2 3.89Å; Y233-Y335 HydrophobicContact CD2-CD2 4.37Å; Y233-Y335 HydrophobicContact CE1-CD2 4.37Å; Y233-Y335 AromaticContact CG-CD2 3.89Å; Y233-Y335 HydrophobicContact CG-CD2 3.89Å; Y233-Y338 AromaticContact CD2-CD2 3.58Å; Y233-Y338 HydrophobicContact CD2-CD2 3.58Å; Y233-Y338 AromaticContact CD2-CE2 3.71Å; Y233-Y338 HydrophobicContact CD2-CE2 3.71Å; Y233-Y338 HydrophobicContact CD2-CG 4.42Å; Y233-Y338 HydrophobicContact CG-CD2 4.33Å
234V96.7Very high89.6Confident3 Ų363.9 Ų63.92%0.01834%0.337CS..Hα-helixtrans-66.3-39.2179.3172.80000111.6Y216 I218 W226 T230 V231 Q232 D236 K237 K238 M271Y216-V234 HydrophobicContact CE2-CG1 4.14Å; I218-V234 HydrophobicContact CD1-CG2 4.33Å; I218-V234 HydrophobicContact CG2-CG2 4.29Å; W226-V234 HydrophobicContact CZ3-CB 4.43Å; W226-V234 HydrophobicContact CZ3-CG1 4.44Å; W226-V234 HydrophobicContact CZ3-CG2 4.14Å; T230-V234 WeakPolarHBondContact O-CG2 3.37Å; T230-V234 PolarHBondContact O-N 2.9Å; V231-V234 PolarHBondContact O-N 3.14Å; Q232-V234 VanDerWaalsContact C-N 3.34Å; Q232-V234 PolarHBondContact O-N 3.03Å; V234-D236 VanDerWaalsContact C-N 3.34Å; V234-K237 PolarHBondContact O-N 2.91Å; V234-K238 WeakPolarHBondContact O-CG 3.47Å; V234-K238 PolarHBondContact O-N 3.5Å; V234-M271 HydrophobicContact CG2-CE 3.74Å
235M94.5Very high88.7Confident70 Ų7062.1 Ų62.135%0.34533%0.332SS..Hα-helixtrans-63.7-40.4176.4-70-58.9-17500112V231 Q232 K238 L240V231-M235 HydrophobicContact CG1-CG 4.34Å; V231-M235 VanDerWaalsContact O-CG 3.27Å; V231-M235 WeakPolarHBondContact O-CG 3.32Å; V231-M235 PolarHBondContact O-N 3.02Å; Q232-M235 PolarHBondContact O-N 3.42Å; M235-K238 WeakPolarHBondContact O-CB 3.47Å; M235-K238 PolarHBondContact O-N 3.33Å; M235-K238 VanDerWaalsContact O-N 3.14Å; M235-K238 HydrophobicContact SD-CD 4.36Å; M235-L240 HydrophobicContact SD-CD1 4.46Å
236D93.9Very high88.3Confident50 Ų5067.1 Ų67.127%0.26736%0.357SS..Hα-helixtrans-70-33.1179.3-67.7-23.5000111.7Q232 Y233 V234 K238 S239 Y338Q232-D236 VanDerWaalsContact NE2-CG 3.25Å; Q232-D236 PolarHBondContact NE2-OD1 3.24Å; Q232-D236 PolarHBondContact NE2-OD2 3Å; Q232-D236 PolarHBondContact O-N 2.95Å; Y233-D236 PolarHBondContact O-N 2.78Å; V234-D236 VanDerWaalsContact C-N 3.34Å; D236-K238 PolarHBondContact O-N 2.59Å; D236-S239 PolarHBondContact O-N 3.35Å; D236-Y338 WeakPolarHBondContact OD2-CE1 3.44Å; D236-Y338 PolarHBondContact OD2-OH 3.07Å
237K95Very high88.2Confident20 Ų2069.7 Ų69.79%0.08738%0.376CS..Hα-helixtrans-66.4-15.5172.4-66.8-56178.6-178.30114Y216 Y233 V234 S239 Y248 D331 D334Y216-K237 HydrophobicContact CD1-CB 4.29Å; Y233-K237 HydrophobicContact CD1-CG 4.5Å; Y233-K237 HydrophobicContact CE1-CG 4.14Å; Y233-K237 HydrophobicContact CE2-CG 4.43Å; Y233-K237 WeakPolarHBondContact O-CG 3.26Å; Y233-K237 PolarHBondContact O-N 2.81Å; Y233-K237 VanDerWaalsContact O-N 3.08Å; Y233-K237 WeakPolarHBondContact OH-CE 3.38Å; V234-K237 PolarHBondContact O-N 2.91Å; K237-S239 VanDerWaalsContact C-N 3.3Å; K237-Y248 HydrophobicContact CB-CG 4.37Å; K237-Y248 HydrophobicContact CD-CD1 4Å; K237-Y248 HydrophobicContact CD-CD2 3.89Å; K237-Y248 HydrophobicContact CD-CE1 3.99Å; K237-Y248 HydrophobicContact CD-CE2 3.87Å; K237-Y248 HydrophobicContact CD-CG 3.96Å; K237-Y248 PolarHBondContact NZ-OH 2.98Å; K237-Y248 PolarHBondContact O-N 3.05Å; K237-D331 IonicContact NZ-OD1 3.16Å; K237-D334 IonicContact NZ-OD2 3.54Å; K237-D334 PolarHBondContact NZ-OD2 3.47Å; K237-D334 VanDerWaalsContact NZ-OD2 3.16Å
238K93.6Very high88.2Confident55 Ų5567.4 Ų67.424%0.23936%0.363CS..THydrogen-bonded Turntrans-85.1-3.6172.5-64.4170.3-177.9177.80112.8Y216 E220 V234 M235 D236 L240Y216-K238 WeakPolarHBondContact OH-CE 3.25Å; E220-K238 IonicContact OE1-NZ 2.76Å; E220-K238 WeakPolarHBondContact OE2-CE 3.38Å; E220-K238 IonicContact OE2-NZ 3.45Å; E220-K238 PolarHBondContact OE2-NZ 3.39Å; V234-K238 WeakPolarHBondContact O-CG 3.47Å; V234-K238 PolarHBondContact O-N 3.5Å; M235-K238 WeakPolarHBondContact O-CB 3.47Å; M235-K238 PolarHBondContact O-N 3.33Å; M235-K238 VanDerWaalsContact O-N 3.14Å; M235-K238 HydrophobicContact SD-CD 4.36Å; D236-K238 PolarHBondContact O-N 2.59Å; K238-L240 HydrophobicContact CB-CD1 4.33Å; K238-L240 HydrophobicContact CB-CD2 4.1Å; K238-L240 HydrophobicContact CB-CG 3.82Å; K238-L240 PolarHBondContact O-N 3.33Å; K238-L240 VanDerWaalsContact O-N 3.13Å
239S86.6Confident88.2Confident19 Ų1966.5 Ų66.513%0.13336%0.361CS..THydrogen-bonded Turntrans48.338.8178.8-53.90000113.8D236 K237 S241 E245D236-S239 PolarHBondContact O-N 3.35Å; K237-S239 VanDerWaalsContact C-N 3.3Å; S239-S241 PolarHBondContact O-N 2.81Å; S239-E245 WeakPolarHBondContact CB-O 3.16Å; S239-E245 PolarHBondContact OG-O 3.02Å; S239-E245 VanDerWaalsContact OG-O 3.13Å
240L79.2Confident88.3Confident135 Ų13568.6 Ų68.671%0.70738%0.378SS*.THydrogen-bonded Turntrans-69.8-13.9-174.2-61.3178.1000113.7M235 K238M235-L240 HydrophobicContact SD-CD1 4.46Å; K238-L240 HydrophobicContact CB-CD1 4.33Å; K238-L240 HydrophobicContact CB-CD2 4.1Å; K238-L240 HydrophobicContact CB-CG 3.82Å; K238-L240 PolarHBondContact O-N 3.33Å; K238-L240 VanDerWaalsContact O-N 3.13Å
241S67.4Low88.4Confident98 Ų9874.3 Ų74.369%0.68540%0.399SS*.THydrogen-bonded Turntrans-116-3.8-172.653.90000114.2S239S239-S241 PolarHBondContact O-N 2.81Å
242T69.6Low88.4Confident55 Ų5576.4 Ų76.434%0.33740%0.404SS..  trans-135108.8-17549.10000111.4S244 E245T242-S244 PolarHBondContact O-N 3.03Å; T242-E245 PolarHBondContact O-N 3.28Å
243D70.3Confident88.5Confident184 Ų18476 Ų7698%0.98441%0.405SS*.THydrogen-bonded Turntrans-64.6-20.1179.7-72.3-20.5000113.6
244S68.9Low88.5Confident114 Ų11477 Ų7780%0.79742%0.416SS*.THydrogen-bonded Turntrans-87.5-14-17459.40000114.9T242T242-S244 PolarHBondContact O-N 3.03Å
245E80Confident88.5Confident124 Ų12477 Ų7758%0.57942%0.416SS*.SBendtrans-110.3119.3-176-67.7-167.4166.800111.6S239 T242S239-E245 WeakPolarHBondContact CB-O 3.16Å; S239-E245 PolarHBondContact OG-O 3.02Å; S239-E245 VanDerWaalsContact OG-O 3.13Å; T242-E245 PolarHBondContact O-N 3.28Å
246E88.3Confident88.6Confident152 Ų15274 Ų7471%0.7140%0.401SS*.PPolyproline II helixtrans-61.4133.5174.5-68.8-172.5162.200111.3
247P93.6Very high88.8Confident78 Ų7871.6 Ų71.651%0.50639%0.388SS..PPolyproline II helixtrans-65.3150.4178.828.7-35.5000110.9
248Y96.4Very high89Confident22 Ų2271.1 Ų71.19%0.08639%0.388CS..PPolyproline II helixtrans-69.4146.2169.1-81.3-136.3000109.8R212 G213 R214 K237 D331R212-Y248 PolarHBondContact NH1-OH 3.2Å; G213-Y248 WeakPolarHBondContact O-CE1 3.28Å; G213-Y248 PolarHBondContact O-OH 3.31Å; R214-Y248 VanDerWaalsContact C-CD1 3.49Å; R214-Y248 WeakPolarHBondContact O-CA 3.1Å; K237-Y248 HydrophobicContact CB-CG 4.37Å; K237-Y248 HydrophobicContact CD-CD1 4Å; K237-Y248 HydrophobicContact CD-CD2 3.89Å; K237-Y248 HydrophobicContact CD-CE1 3.99Å; K237-Y248 HydrophobicContact CD-CE2 3.87Å; K237-Y248 HydrophobicContact CD-CG 3.96Å; K237-Y248 PolarHBondContact NZ-OH 2.98Å; K237-Y248 PolarHBondContact O-N 3.05Å; Y248-D331 VanDerWaalsContact CE1-OD1 3.26Å; Y248-D331 WeakPolarHBondContact CE1-OD1 3.27Å; Y248-D331 PolarHBondContact OH-OD1 3.36Å
249Q96.8Very high89.2Confident104 Ų10468.6 Ų68.649%0.48638%0.377SS..EExtended strand (participates in β ladder)trans-76.3131.1173.8-60.1-172.418.400110.6R214 I215 Y216R214-Q249 PolarHBondContact O-N 2.82Å; I215-Q249 VanDerWaalsContact CA-O 3.27Å; I215-Q249 WeakPolarHBondContact CA-O 3.36Å; I215-Q249 HydrophobicContact CG1-CB 4.44Å; Y216-Q249 PolarHBondContact N-O 3.28Å
250A97.9Very high89.8Confident48 Ų4867.7 Ų67.740%0.39737%0.371SS..EExtended strand (participates in β ladder)trans-78130.5169.100000110.3Y216Y216-A250 HydrophobicContact CE1-CB 3.87Å; Y216-A250 HydrophobicContact CE2-CB 4.06Å; Y216-A250 WeakPolarHBondContact OH-CB 3.41Å
251R98.3Very high90.7Very high119 Ų11962.5 Ų62.545%0.44934%0.343SS..  trans-142.8125.4168.9-69.1-64.5-176.3-75.9-8.2109.3I215 Y216 S217 R262I215-R251 HydrophobicContact CG2-CB 3.88Å; I215-R251 HydrophobicContact CG2-CG 3.97Å; Y216-R251 PolarHBondContact O-N 2.89Å; S217-R251 WeakPolarHBondContact CA-O 3.14Å; S217-R251 WeakPolarHBondContact CB-O 3.47Å; S217-R251 PolarHBondContact OG-O 3Å; R251-R262 PolarHBondContact O-NH2 2.79Å
252Y97.9Very high92.2Very high86 Ų8659.4 Ų59.434%0.33732%0.316SS..  trans-144.9105.4174.9-173-102.5000108.9I218 N219I218-Y252 VanDerWaalsContact C-CD2 3.48Å; N219-Y252 HydrophobicContact CB-CD1 4.37Å; N219-Y252 HydrophobicContact CB-CE1 3.77Å; N219-Y252 HydrophobicContact CB-CE2 4.18Å
253V97.3Very high93.6Very high60 Ų6056.9 Ų56.936%0.36430%0.301SS..  trans-79.2-29.9-180176.60000110.4N132 A258 D259N132-V253 PolarHBondContact ND2-O 2.95Å; N132-V253 VanDerWaalsContact ND2-O 3.15Å; V253-A258 HydrophobicContact CB-CB 4.1Å; V253-A258 HydrophobicContact CG1-CB 3.76Å; V253-A258 HydrophobicContact CG2-CB 4.4Å; V253-D259 WeakPolarHBondContact CB-OD1 3.41Å; V253-D259 WeakPolarHBondContact CG2-OD1 3.48Å; V253-D259 PolarHBondContact N-OD1 3.47Å; V253-D259 PolarHBondContact N-OD2 2.8Å; V253-D259 VanDerWaalsContact N-OD2 3.09Å
254G95.9Very high94.9Very high22 Ų2248.1 Ų48.123%0.22725%0.254CS..SBendtrans84.910.9-177.700000114.1D259G254-D259 PolarHBondContact N-OD2 3.32Å
255S96.8Very high96.3Very high1 Ų145.2 Ų45.21%0.00723%0.229CC..  trans-117.7128163152.70000107.3D128 N132 S138 V257 A258 D259D128-S255 PolarHBondContact OD2-OG 2.93Å; N132-S255 PolarHBondContact ND2-N 2.85Å; S138-S255 WeakPolarHBondContact O-CB 3.23Å; S138-S255 PolarHBondContact O-OG 3.47Å; S255-V257 VanDerWaalsContact C-N 3.3Å; S255-V257 PolarHBondContact O-N 2.95Å; S255-A258 PolarHBondContact O-N 3.48Å; S255-A258 PolarHBondContact OG-N 2.84Å; S255-D259 PolarHBondContact O-N 3.35Å
256M97.8Very high97.2Very high8 Ų846.8 Ų46.84%0.03923%0.231CC..Hα-helixtrans-59.1-45.2-178.6-174.6-168.5-170.200110.5D128 I142 A258 D259 I260 F270 L283 E288 M292 M326D128-M256 WeakPolarHBondContact OD1-CB 3.45Å; D128-M256 PolarHBondContact OD1-N 3.17Å; D128-M256 PolarHBondContact OD2-N 2.8Å; I142-M256 HydrophobicContact CD1-SD 4.1Å; M256-A258 PolarHBondContact O-N 2.68Å; M256-D259 PolarHBondContact O-N 3.09Å; M256-I260 HydrophobicContact CE-CD1 3.46Å; M256-I260 VanDerWaalsContact CE-CD1 3.46Å; M256-I260 HydrophobicContact CG-CD1 3.44Å; M256-I260 VanDerWaalsContact CG-CD1 3.44Å; M256-I260 HydrophobicContact CG-CG1 4.22Å; M256-I260 VanDerWaalsContact O-CB 3.29Å; M256-I260 WeakPolarHBondContact O-CB 3.27Å; M256-I260 VanDerWaalsContact O-CG1 3.27Å; M256-I260 WeakPolarHBondContact O-CG1 3.49Å; M256-I260 PolarHBondContact O-N 2.93Å; M256-I260 HydrophobicContact SD-CD1 4.11Å; M256-F270 HydrophobicContact CG-CE1 4.36Å; M256-F270 HydrophobicContact CG-CZ 4.19Å; M256-L283 HydrophobicContact CE-CD1 3.75Å; M256-L283 HydrophobicContact CG-CD1 4.18Å; M256-L283 HydrophobicContact SD-CD1 3.8Å; M256-E288 HydrophobicContact CE-CB 4.19Å; M256-E288 HydrophobicContact SD-CB 3.71Å; M256-E288 HydrophobicContact SD-CG 4.25Å; M256-M292 HydrophobicContact CE-CB 3.94Å; M256-M292 HydrophobicContact CE-CG 3.79Å; M256-M292 HydrophobicContact SD-CG 4.25Å; M256-M326 HydrophobicContact CE-CE 4.42Å
257V98.2Very high97.7Very high0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-59.4-45.7179.21770000111D128 I142 Y171 L173 S255 H261 M292D128-V257 HydrophobicContact CB-CG2 3.66Å; D128-V257 WeakPolarHBondContact OD2-CB 3.44Å; D128-V257 VanDerWaalsContact OD2-CG2 3.27Å; D128-V257 WeakPolarHBondContact OD2-CG2 3.28Å; D128-V257 PolarHBondContact OD2-N 3.02Å; I142-V257 HydrophobicContact CD1-CG2 3.81Å; I142-V257 HydrophobicContact CG1-CG2 3.53Å; Y171-V257 HydrophobicContact CD2-CG1 3.57Å; Y171-V257 HydrophobicContact CE2-CG1 4.15Å; Y171-V257 HydrophobicContact CG-CG1 4.13Å; L173-V257 HydrophobicContact CB-CG1 4.01Å; L173-V257 HydrophobicContact CD1-CG1 4.03Å; S255-V257 VanDerWaalsContact C-N 3.3Å; S255-V257 PolarHBondContact O-N 2.95Å; V257-H261 WeakPolarHBondContact O-CB 3.34Å; V257-H261 PolarHBondContact O-N 3.48Å; V257-M292 HydrophobicContact CB-CE 4.2Å; V257-M292 HydrophobicContact CG2-CE 3.55Å
258A98.4Very high97.9Very high10 Ų1035.9 Ų35.98%0.08317%0.173CC..Hα-helixtrans-67.5-42.7-179.300000112.6L173 V253 S255 M256 R262L173-A258 HydrophobicContact CD1-CB 4.26Å; V253-A258 HydrophobicContact CB-CB 4.1Å; V253-A258 HydrophobicContact CG1-CB 3.76Å; V253-A258 HydrophobicContact CG2-CB 4.4Å; S255-A258 PolarHBondContact O-N 3.48Å; S255-A258 PolarHBondContact OG-N 2.84Å; M256-A258 PolarHBondContact O-N 2.68Å; A258-R262 PolarHBondContact O-N 3.05Å; A258-R262 VanDerWaalsContact O-N 3.14Å
259D98.6Very high98.1Very high1 Ų134.9 Ų34.91%0.00517%0.169CC..Hα-helixtrans-69.7-40.1179.7-74.4-43.3000112.4S217 V253 G254 S255 M256 R262 T263 F270S217-D259 PolarHBondContact OG-OD1 3.02Å; V253-D259 WeakPolarHBondContact CB-OD1 3.41Å; V253-D259 WeakPolarHBondContact CG2-OD1 3.48Å; V253-D259 PolarHBondContact N-OD1 3.47Å; V253-D259 PolarHBondContact N-OD2 2.8Å; V253-D259 VanDerWaalsContact N-OD2 3.09Å; G254-D259 PolarHBondContact N-OD2 3.32Å; S255-D259 PolarHBondContact O-N 3.35Å; M256-D259 PolarHBondContact O-N 3.09Å; D259-R262 IonicContact OD1-CZ 3.25Å; D259-R262 IonicContact OD1-NH1 2.89Å; D259-R262 PolarHBondContact OD1-NH1 3.08Å; D259-R262 IonicContact OD1-NH2 2.7Å; D259-R262 PolarHBondContact OD1-NH2 2.8Å; D259-T263 WeakPolarHBondContact O-CB 3.41Å; D259-T263 PolarHBondContact O-N 2.81Å; D259-T263 PolarHBondContact O-OG1 3.48Å; D259-F270 HydrophobicContact CB-CD2 3.73Å; D259-F270 HydrophobicContact CB-CE2 3.9Å
260I98.5Very high98.1Very high1 Ų130 Ų301%0.00515%0.147CC..Hα-helixtrans-71.8-39.7176.2-67.9176.2000111.4M256 R262 T263 L264 F270 M292 M296 M326M256-I260 HydrophobicContact CE-CD1 3.46Å; M256-I260 VanDerWaalsContact CE-CD1 3.46Å; M256-I260 HydrophobicContact CG-CD1 3.44Å; M256-I260 VanDerWaalsContact CG-CD1 3.44Å; M256-I260 HydrophobicContact CG-CG1 4.22Å; M256-I260 VanDerWaalsContact O-CB 3.29Å; M256-I260 WeakPolarHBondContact O-CB 3.27Å; M256-I260 VanDerWaalsContact O-CG1 3.27Å; M256-I260 WeakPolarHBondContact O-CG1 3.49Å; M256-I260 PolarHBondContact O-N 2.93Å; M256-I260 HydrophobicContact SD-CD1 4.11Å; I260-R262 VanDerWaalsContact C-N 3.32Å; I260-R262 PolarHBondContact O-N 3.44Å; I260-T263 CarbonylContact O-C 3.57Å; I260-T263 WeakPolarHBondContact O-CB 3.49Å; I260-T263 PolarHBondContact O-N 3.16Å; I260-T263 VanDerWaalsContact O-N 3.14Å; I260-L264 WeakPolarHBondContact O-CB 3.05Å; I260-L264 PolarHBondContact O-N 3.06Å; I260-F270 HydrophobicContact CD1-CD1 4.24Å; I260-F270 HydrophobicContact CD1-CE1 4.34Å; I260-F270 HydrophobicContact CG1-CB 4.43Å; I260-F270 HydrophobicContact CG1-CD1 4.03Å; I260-F270 HydrophobicContact CG1-CE1 4.43Å; I260-F270 HydrophobicContact CG1-CG 4.08Å; I260-M292 HydrophobicContact CB-SD 4.3Å; I260-M292 HydrophobicContact CD1-CB 3.77Å; I260-M292 HydrophobicContact CD1-CG 3.71Å; I260-M292 HydrophobicContact CD1-SD 3.95Å; I260-M292 HydrophobicContact CG2-SD 3.83Å; I260-M296 HydrophobicContact CG2-CE 4.02Å; I260-M326 HydrophobicContact CD1-CE 4.06Å; I260-M326 HydrophobicContact CD1-SD 3.6Å; I260-M326 HydrophobicContact CG1-SD 4.02Å; I260-M326 HydrophobicContact CG2-SD 4.15Å
261H98.7Very high98.2Very high26 Ų2627.9 Ų27.912%0.1213%0.128CC..Hα-helixtrans-59-45.8175.6-175.175.4000111.1Y171 L173 V257 T263 L264 I265Y171-H261 HydrophobicContact CE2-CB 4.09Å; Y171-H261 AromaticContact CE2-ND1 3.63Å; Y171-H261 AromaticContact CZ-ND1 3.74Å; Y171-H261 PolarHBondContact OH-ND1 2.79Å; L173-H261 HydrophobicContact CD2-CB 4.11Å; V257-H261 WeakPolarHBondContact O-CB 3.34Å; V257-H261 PolarHBondContact O-N 3.48Å; H261-T263 VanDerWaalsContact C-N 3.34Å; H261-T263 PolarHBondContact O-N 3.4Å; H261-L264 PolarHBondContact O-N 3.35Å; H261-I265 WeakPolarHBondContact O-CG1 3.43Å; H261-I265 PolarHBondContact O-N 3.38Å; H261-I265 VanDerWaalsContact O-N 3.14Å
262R98.6Very high98.2Very high32 Ų3223.7 Ų23.712%0.12111%0.113CC..Hα-helixtrans-59.4-45.1173.8-176.2-176.861.7-101.12.1111.7S217 R251 A258 D259 I260 L264 I265 Y266S217-R262 PolarHBondContact OG-NH2 2.76Å; R251-R262 PolarHBondContact O-NH2 2.79Å; A258-R262 PolarHBondContact O-N 3.05Å; A258-R262 VanDerWaalsContact O-N 3.14Å; D259-R262 IonicContact OD1-CZ 3.25Å; D259-R262 IonicContact OD1-NH1 2.89Å; D259-R262 PolarHBondContact OD1-NH1 3.08Å; D259-R262 IonicContact OD1-NH2 2.7Å; D259-R262 PolarHBondContact OD1-NH2 2.8Å; I260-R262 VanDerWaalsContact C-N 3.32Å; I260-R262 PolarHBondContact O-N 3.44Å; R262-L264 VanDerWaalsContact C-N 3.31Å; R262-L264 PolarHBondContact O-N 3.11Å; R262-I265 PolarHBondContact O-N 3.15Å; R262-Y266 HydrophobicContact CG-CD2 3.55Å; R262-Y266 HydrophobicContact CG-CE2 4.09Å; R262-Y266 HydrophobicContact CG-CG 4.44Å; R262-Y266 WeakPolarHBondContact O-CB 3.46Å; R262-Y266 PolarHBondContact O-N 3.47Å
263T98.7Very high98.2Very high2 Ų220 Ų201%0.01210%0.099CC..Hα-helixtrans-62.3-39179.2-56.30000111.6D259 I260 H261 I265 G267 G268 M296D259-T263 WeakPolarHBondContact O-CB 3.41Å; D259-T263 PolarHBondContact O-N 2.81Å; D259-T263 PolarHBondContact O-OG1 3.48Å; I260-T263 CarbonylContact O-C 3.57Å; I260-T263 WeakPolarHBondContact O-CB 3.49Å; I260-T263 PolarHBondContact O-N 3.16Å; I260-T263 VanDerWaalsContact O-N 3.14Å; H261-T263 VanDerWaalsContact C-N 3.34Å; H261-T263 PolarHBondContact O-N 3.4Å; T263-I265 PolarHBondContact O-N 2.93Å; T263-G267 CarbonylContact O-C 3.44Å; T263-G267 WeakPolarHBondContact O-CA 3.37Å; T263-G267 PolarHBondContact O-N 2.97Å; T263-G268 WeakPolarHBondContact CG2-O 2.99Å; T263-M296 HydrophobicContact CG2-CE 4.1Å
264L98.4Very high98.1Very high1 Ų118.5 Ų18.51%0.0059%0.093CC..Hα-helixtrans-64.4-38.5177.7177.164.4000112.1Y171 V181 V188 I207 V209 I260 H261 R262 I295Y171-L264 VanDerWaalsContact OH-CD2 3.3Å; Y171-L264 WeakPolarHBondContact OH-CD2 3.08Å; V181-L264 HydrophobicContact CG1-CD2 3.95Å; V188-L264 HydrophobicContact CG1-CD2 4.34Å; I207-L264 HydrophobicContact CD1-CD2 4.39Å; I207-L264 HydrophobicContact CG2-CD1 3.71Å; I207-L264 HydrophobicContact CG2-CD2 4.01Å; I207-L264 HydrophobicContact CG2-CG 3.61Å; V209-L264 HydrophobicContact CG2-CD1 3.51Å; I260-L264 WeakPolarHBondContact O-CB 3.05Å; I260-L264 PolarHBondContact O-N 3.06Å; H261-L264 PolarHBondContact O-N 3.35Å; R262-L264 VanDerWaalsContact C-N 3.31Å; R262-L264 PolarHBondContact O-N 3.11Å; L264-I295 HydrophobicContact CD2-CG2 4.05Å
265I98.2Very high98.1Very high53 Ų5318 Ų1827%0.2729%0.086SC..Hα-helixtrans-88-44.3-176.7-57.2-60.1000112.7I207 H261 R262 T263I207-I265 HydrophobicContact CD1-CD1 4.19Å; I207-I265 HydrophobicContact CG2-CD1 4.02Å; H261-I265 WeakPolarHBondContact O-CG1 3.43Å; H261-I265 PolarHBondContact O-N 3.38Å; H261-I265 VanDerWaalsContact O-N 3.14Å; R262-I265 PolarHBondContact O-N 3.15Å; T263-I265 PolarHBondContact O-N 2.93Å
266Y98.4Very high98.1Very high156 Ų15623 Ų2361%0.61212%0.117SC*.Hα-helixtrans-98.6-7.8-174.2-59.5-25000113.8I215 R262I215-Y266 HydrophobicContact CD1-CD2 4.38Å; R262-Y266 HydrophobicContact CG-CD2 3.55Å; R262-Y266 HydrophobicContact CG-CE2 4.09Å; R262-Y266 HydrophobicContact CG-CG 4.44Å; R262-Y266 WeakPolarHBondContact O-CB 3.46Å; R262-Y266 PolarHBondContact O-N 3.47Å
267G98.5Very high97.9Very high1 Ų129.3 Ų29.31%0.0114%0.144CC..  trans72.4-176.4-170.500000112.3T263 S328T263-G267 CarbonylContact O-C 3.44Å; T263-G267 WeakPolarHBondContact O-CA 3.37Å; T263-G267 PolarHBondContact O-N 2.97Å; G267-S328 VanDerWaalsContact CA-OG 3.31Å; G267-S328 WeakPolarHBondContact CA-OG 3.39Å
268G98.5Very high97.7Very high0 Ų030.5 Ų30.50%015%0.154CC..  trans104.6-155.6-17600000110.6I215 T263 G327 S328I215-G268 CarbonylContact O-C 3.28Å; I215-G268 WeakPolarHBondContact O-CA 3.41Å; T263-G268 WeakPolarHBondContact CG2-O 2.99Å; G268-G327 CarbonylContact O-C 3.56Å; G268-G327 WeakPolarHBondContact O-CA 3.44Å; G268-S328 PolarHBondContact N-OG 3.1Å; G268-S328 WeakPolarHBondContact O-CB 3.4Å; G268-S328 PolarHBondContact O-N 3.02Å
269I98.8Very high97.6Very high1 Ų134.1 Ų34.11%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-136133.2-172.7-163.5170.2000112I215 Y216 S217 Y233 M271 V325 D331 V332I215-I269 PolarHBondContact O-N 3.29Å; Y216-I269 CarbonylContact C-O 3.52Å; Y216-I269 WeakPolarHBondContact CA-O 3.49Å; S217-I269 PolarHBondContact N-O 3.4Å; Y233-I269 HydrophobicContact CE1-CD1 4.04Å; Y233-I269 HydrophobicContact CE1-CG2 4.14Å; Y233-I269 WeakPolarHBondContact OH-CD1 3.39Å; I269-M271 HydrophobicContact CD1-CG 4.13Å; I269-M271 HydrophobicContact CD1-SD 4.17Å; I269-M271 HydrophobicContact CG1-CG 3.93Å; I269-M271 HydrophobicContact CG1-SD 4.48Å; I269-M271 HydrophobicContact CG2-CE 4.32Å; I269-M271 HydrophobicContact CG2-CG 4.46Å; I269-M271 HydrophobicContact CG2-SD 4.41Å; I269-V325 HydrophobicContact CD1-CG1 3.55Å; I269-V325 HydrophobicContact CG1-CG1 3.88Å; I269-D331 HydrophobicContact CB-CB 4.13Å; I269-D331 HydrophobicContact CD1-CB 4.39Å; I269-V332 HydrophobicContact CD1-CG2 4.17Å; I269-V332 HydrophobicContact CG1-CG2 4.26Å
270F98.8Very high97.4Very high3 Ų339.8 Ų39.81%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-102.1133.3166.3172.8-99000109.5M256 D259 I260 Y272 L283 I324 V325 M326M256-F270 HydrophobicContact CG-CE1 4.36Å; M256-F270 HydrophobicContact CG-CZ 4.19Å; D259-F270 HydrophobicContact CB-CD2 3.73Å; D259-F270 HydrophobicContact CB-CE2 3.9Å; I260-F270 HydrophobicContact CD1-CD1 4.24Å; I260-F270 HydrophobicContact CD1-CE1 4.34Å; I260-F270 HydrophobicContact CG1-CB 4.43Å; I260-F270 HydrophobicContact CG1-CD1 4.03Å; I260-F270 HydrophobicContact CG1-CE1 4.43Å; I260-F270 HydrophobicContact CG1-CG 4.08Å; F270-Y272 HydrophobicContact CZ-CD2 4.32Å; F270-L283 HydrophobicContact CE1-CD1 4.07Å; F270-L283 HydrophobicContact CZ-CD1 4.17Å; F270-I324 HydrophobicContact CE1-CG2 4.03Å; F270-V325 WeakPolarHBondContact O-CA 3.35Å; F270-M326 HydrophobicContact CB-CG 4.34Å; F270-M326 HydrophobicContact CD1-CG 4.18Å; F270-M326 PolarHBondContact N-O 3.39Å; F270-M326 PolarHBondContact O-N 2.97Å
271M98.7Very high97.3Very high2 Ų239.8 Ų39.81%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-134.7125.4-176.8-59.1-178.7-68.900110.6Y216 S217 I218 Y233 V234 I269 V325 Y335Y216-M271 HydrophobicContact CD2-CE 4.46Å; S217-M271 PolarHBondContact O-N 2.94Å; I218-M271 HydrophobicContact CB-CB 4.15Å; I218-M271 HydrophobicContact CB-CE 3.91Å; I218-M271 HydrophobicContact CD1-CB 3.84Å; I218-M271 HydrophobicContact CD1-CE 3.94Å; I218-M271 HydrophobicContact CG1-CB 4.07Å; I218-M271 HydrophobicContact CG1-CE 4.47Å; I218-M271 WeakPolarHBondContact CG1-O 3.22Å; I218-M271 HydrophobicContact CG2-CE 4Å; Y233-M271 HydrophobicContact CD1-CE 4.07Å; Y233-M271 HydrophobicContact CD1-SD 3.68Å; Y233-M271 HydrophobicContact CE1-CE 3.91Å; Y233-M271 HydrophobicContact CE1-SD 3.53Å; Y233-M271 VanDerWaalsContact CE1-SD 3.53Å; V234-M271 HydrophobicContact CG2-CE 3.74Å; I269-M271 HydrophobicContact CD1-CG 4.13Å; I269-M271 HydrophobicContact CD1-SD 4.17Å; I269-M271 HydrophobicContact CG1-CG 3.93Å; I269-M271 HydrophobicContact CG1-SD 4.48Å; I269-M271 HydrophobicContact CG2-CE 4.32Å; I269-M271 HydrophobicContact CG2-CG 4.46Å; I269-M271 HydrophobicContact CG2-SD 4.41Å; M271-V325 HydrophobicContact CB-CG2 4.19Å; M271-V325 HydrophobicContact CG-CG1 3.96Å; M271-V325 HydrophobicContact CG-CG2 4.04Å; M271-Y335 HydrophobicContact SD-CD2 4.26Å; M271-Y335 HydrophobicContact SD-CE2 4.5Å
272Y98.1Very high97.1Very high32 Ų3242.2 Ų42.213%0.12522%0.218CC..EExtended strand (participates in β ladder)trans-131.771.4164.9-147.9-50.6000108.4F270 K282 L283 P323 I324F270-Y272 HydrophobicContact CZ-CD2 4.32Å; Y272-K282 HydrophobicContact CD1-CB 4.09Å; Y272-K282 HydrophobicContact CE1-CB 3.38Å; Y272-K282 HydrophobicContact CE1-CD 4.38Å; Y272-K282 HydrophobicContact CE1-CG 4.46Å; Y272-K282 HydrophobicContact CE2-CB 4.41Å; Y272-K282 HydrophobicContact CE2-CD 4.35Å; Y272-K282 WeakPolarHBondContact OH-CD 3.42Å; Y272-L283 HydrophobicContact CD2-CD1 3.96Å; Y272-L283 HydrophobicContact CD2-CD2 3.88Å; Y272-L283 HydrophobicContact CD2-CG 3.94Å; Y272-L283 HydrophobicContact CE2-CD2 4.05Å; Y272-L283 HydrophobicContact CG-CD1 4.1Å; Y272-L283 HydrophobicContact CG-CD2 4.42Å; Y272-L283 HydrophobicContact CG-CG 4.02Å; Y272-P323 WeakPolarHBondContact O-CA 3.18Å; Y272-I324 CarbonylContact C-O 3.41Å; Y272-I324 PolarHBondContact N-O 3.03Å; Y272-I324 PolarHBondContact O-N 3.19Å
273P97.3Very high97.1Very high7 Ų741.2 Ų41.25%0.04522%0.215CC..  trans-71171.4-174.631.3-34.6000111.6I218 T230I218-P273 HydrophobicContact CD1-CG 4.09Å; T230-P273 HydrophobicContact CG2-CB 4.41Å; T230-P273 HydrophobicContact CG2-CG 3.78Å
274A96.6Very high97Very high29 Ų2941.3 Ų41.324%0.2422%0.215CC..  trans-57.9151.2165.200000109.8P279 P323A274-P279 VanDerWaalsContact CB-O 3.25Å; A274-P279 WeakPolarHBondContact CB-O 3.25Å; A274-P323 HydrophobicContact CB-CB 4.37Å; A274-P323 HydrophobicContact CB-CG 3.82Å
275S95.6Very high97Very high11 Ų1141.2 Ų41.28%0.07721%0.214CC..BIsolated β-bridgetrans-140.8162.7170.467.70000109.7Y225 K277 A278 P279Y225-S275 CarbonylContact O-C 3.52Å; Y225-S275 VanDerWaalsContact O-CA 3.23Å; Y225-S275 WeakPolarHBondContact O-CA 3.35Å; Y225-S275 WeakPolarHBondContact O-CB 3.46Å; S275-K277 PolarHBondContact O-N 3.22Å; S275-K277 VanDerWaalsContact O-N 3.09Å; S275-K277 PolarHBondContact OG-N 3.2Å; S275-A278 PolarHBondContact N-O 2.86Å; S275-A278 CarbonylContact O-C 3.57Å; S275-A278 PolarHBondContact O-N 3.16Å; S275-A278 VanDerWaalsContact O-O 3.14Å; S275-A278 PolarHBondContact OG-N 3.32Å; S275-A278 VanDerWaalsContact OG-N 3.14Å; S275-P279 WeakPolarHBondContact O-CA 3.43Å
276T95.8Very high97Very high108 Ų10838.8 Ų38.866%0.66320%0.202SC*.THydrogen-bonded Turntrans-60.5-21.117554.40000113.3Y225Y225-T276 WeakPolarHBondContact CB-OG1 3.39Å; Y225-T276 VanDerWaalsContact CD1-OG1 3.24Å; Y225-T276 WeakPolarHBondContact CD1-OG1 3.49Å; Y225-T276 PolarHBondContact O-N 3.48Å
277K93.8Very high97Very high140 Ų14031.4 Ų31.461%0.60917%0.173SC*.THydrogen-bonded Turntrans-82.8-26.1171.8-78.8-173.6159.5176.20114.3Y225 S275Y225-K277 HydrophobicContact CD1-CD 4.49Å; Y225-K277 HydrophobicContact CD1-CG 4.17Å; Y225-K277 HydrophobicContact CD2-CD 3.93Å; Y225-K277 HydrophobicContact CD2-CG 4.33Å; Y225-K277 HydrophobicContact CE1-CD 4.18Å; Y225-K277 HydrophobicContact CE1-CG 4.09Å; Y225-K277 HydrophobicContact CE2-CD 3.58Å; Y225-K277 HydrophobicContact CE2-CG 4.28Å; Y225-K277 HydrophobicContact CG-CD 4.35Å; Y225-K277 HydrophobicContact CG-CG 4.25Å; Y225-K277 WeakPolarHBondContact OH-CE 3.48Å; Y225-K277 PolarHBondContact OH-NZ 2.93Å; Y225-K277 VanDerWaalsContact OH-NZ 3.11Å; S275-K277 PolarHBondContact O-N 3.22Å; S275-K277 VanDerWaalsContact O-N 3.09Å; S275-K277 PolarHBondContact OG-N 3.2Å
278A95Very high97Very high24 Ų2431.6 Ų31.620%0.19817%0.174CC..BIsolated β-bridgetrans-14278.3-179.200000108.5S275 N280 G281S275-A278 PolarHBondContact N-O 2.86Å; S275-A278 CarbonylContact O-C 3.57Å; S275-A278 PolarHBondContact O-N 3.16Å; S275-A278 VanDerWaalsContact O-O 3.14Å; S275-A278 PolarHBondContact OG-N 3.32Å; S275-A278 VanDerWaalsContact OG-N 3.14Å; A278-N280 PolarHBondContact O-N 3.15Å; A278-G281 PolarHBondContact O-N 3.02Å
279P95.3Very high97.1Very high87 Ų8731.6 Ų31.657%0.56517%0.174SC*.THydrogen-bonded Turntrans-61.8-30.3-171.7-26.436.2000113.4A274 S275 G281A274-P279 VanDerWaalsContact CB-O 3.25Å; A274-P279 WeakPolarHBondContact CB-O 3.25Å; S275-P279 WeakPolarHBondContact O-CA 3.43Å; P279-G281 VanDerWaalsContact C-N 3.34Å
280N95.9Very high97.1Very high119 Ų11931.6 Ų31.664%0.63617%0.173SC*.THydrogen-bonded Turntrans-95.918.6177.1-60.1-30.4000112.6A278 R321 S322 P323A278-N280 PolarHBondContact O-N 3.15Å; N280-R321 CarbonylContact O-C 3.52Å; N280-R321 WeakPolarHBondContact O-CB 3.5Å; N280-S322 CarbonylContact O-C 3.53Å; N280-S322 VanDerWaalsContact O-C 3.28Å; N280-S322 WeakPolarHBondContact O-CA 3.38Å; N280-S322 PolarHBondContact O-N 3.08Å; N280-S322 VanDerWaalsContact O-N 3.08Å; N280-P323 WeakPolarHBondContact O-CD 3.45Å
281G95.9Very high97.1Very high2 Ų231.4 Ų31.42%0.02117%0.173CC..  trans74.3175.7-172.200000113.1A278 P279 R321A278-G281 PolarHBondContact O-N 3.02Å; P279-G281 VanDerWaalsContact C-N 3.34Å; G281-R321 WeakPolarHBondContact O-CD 3.27Å
282K95.2Very high97.1Very high77 Ų7731.3 Ų31.334%0.33517%0.172SC..SBendtrans-97.8-40.4176.5-169.7-173.8173.7-164.70112.4E75 Y272 R321E75-K282 WeakPolarHBondContact OE1-CE 3.33Å; E75-K282 IonicContact OE1-NZ 2.78Å; Y272-K282 HydrophobicContact CD1-CB 4.09Å; Y272-K282 HydrophobicContact CE1-CB 3.38Å; Y272-K282 HydrophobicContact CE1-CD 4.38Å; Y272-K282 HydrophobicContact CE1-CG 4.46Å; Y272-K282 HydrophobicContact CE2-CB 4.41Å; Y272-K282 HydrophobicContact CE2-CD 4.35Å; Y272-K282 WeakPolarHBondContact OH-CD 3.42Å; K282-R321 VanDerWaalsContact O-CD 3.3Å; K282-R321 WeakPolarHBondContact O-CD 3.4Å
283L97.1Very high97.1Very high10 Ų1029.8 Ų29.85%0.05217%0.166CC..SBendtrans-77.5150-171.5-48.2-174.9000111.1M256 F270 Y272 E288 R321 S322 I324M256-L283 HydrophobicContact CE-CD1 3.75Å; M256-L283 HydrophobicContact CG-CD1 4.18Å; M256-L283 HydrophobicContact SD-CD1 3.8Å; F270-L283 HydrophobicContact CE1-CD1 4.07Å; F270-L283 HydrophobicContact CZ-CD1 4.17Å; Y272-L283 HydrophobicContact CD2-CD1 3.96Å; Y272-L283 HydrophobicContact CD2-CD2 3.88Å; Y272-L283 HydrophobicContact CD2-CG 3.94Å; Y272-L283 HydrophobicContact CE2-CD2 4.05Å; Y272-L283 HydrophobicContact CG-CD1 4.1Å; Y272-L283 HydrophobicContact CG-CD2 4.42Å; Y272-L283 HydrophobicContact CG-CG 4.02Å; L283-E288 WeakPolarHBondContact CA-OE2 3.44Å; L283-E288 HydrophobicContact CB-CB 4.42Å; L283-E288 WeakPolarHBondContact CD2-OE1 3.48Å; L283-R321 CarbonylContact O-C 2.95Å; L283-R321 WeakPolarHBondContact O-CA 3.16Å; L283-R321 WeakPolarHBondContact O-CB 3.19Å; L283-S322 PolarHBondContact O-N 2.83Å; L283-I324 HydrophobicContact CD1-CG2 3.65Å
284R97.8Very high97.2Very high4 Ų430.1 Ų30.12%0.01517%0.167CC..BIsolated β-bridgetrans-95136.1-171.5-68.888.3-174.9177.38.3111.1Q73 E75 E104 L286 Y287 E288 C289 Q320 R321Q73-R284 VanDerWaalsContact CB-NH2 3.29Å; Q73-R284 VanDerWaalsContact CD-NE 3.26Å; E75-R284 IonicContact OE1-CZ 2.67Å; E75-R284 IonicContact OE1-NH1 2.58Å; E75-R284 PolarHBondContact OE1-NH1 3.13Å; E75-R284 IonicContact OE1-NH2 3.68Å; E75-R284 PolarHBondContact OE1-NH2 2.59Å; E104-R284 IonicContact OE1-CZ 3.87Å; E104-R284 IonicContact OE1-NE 3.37Å; E104-R284 IonicContact OE1-NH1 3.92Å; E104-R284 PolarHBondContact OE1-NH1 2.8Å; R284-L286 PolarHBondContact O-N 3.49Å; R284-Y287 HydrophobicContact CB-CD2 3.93Å; R284-Y287 HydrophobicContact CB-CE1 4.18Å; R284-Y287 HydrophobicContact CB-CE2 3.32Å; R284-Y287 VanDerWaalsContact CB-CZ 3.48Å; R284-Y287 HydrophobicContact CG-CE2 3.68Å; R284-Y287 WeakPolarHBondContact CG-OH 3.38Å; R284-E288 WeakPolarHBondContact CB-OE2 3.48Å; R284-E288 WeakPolarHBondContact CD-OE2 3.4Å; R284-E288 PolarHBondContact N-OE2 2.83Å; R284-E288 IonicContact NH1-OE2 3.02Å; R284-E288 WeakPolarHBondContact O-CB 3.36Å; R284-E288 PolarHBondContact O-N 3.17Å; R284-E288 VanDerWaalsContact O-N 3.17Å; R284-C289 PolarHBondContact O-N 3.44Å; R284-Q320 CarbonylContact C-O 3.59Å; R284-Q320 WeakPolarHBondContact CA-O 3.4Å; R284-R321 HydrophobicContact CG-CG 4.18Å
285L98.5Very high97.3Very high0 Ų028.8 Ų28.80%016%0.156CC..Iπ-helixtrans-63.6-49.2-168.5-178.457.4000111.9C289 N290 I310 L313 P315 Q320L285-C289 HydrophobicContact CD1-CB 4.13Å; L285-N290 WeakPolarHBondContact CD1-OD1 3.4Å; L285-N290 VanDerWaalsContact O-CB 3.23Å; L285-N290 WeakPolarHBondContact O-CB 3.41Å; L285-N290 PolarHBondContact O-N 2.83Å; L285-N290 PolarHBondContact O-ND2 3.14Å; L285-I310 HydrophobicContact CD1-CG2 4.22Å; L285-L313 HydrophobicContact CD1-CB 4.22Å; L285-L313 HydrophobicContact CD1-CD1 3.8Å; L285-L313 HydrophobicContact CD2-CB 3.95Å; L285-L313 HydrophobicContact CD2-CD1 4.49Å; L285-P315 HydrophobicContact CD2-CB 4.14Å; L285-P315 HydrophobicContact CD2-CG 3.94Å; L285-Q320 WeakPolarHBondContact CB-O 3.36Å; L285-Q320 PolarHBondContact N-O 3.02Å
286L98.5Very high97.4Very high2 Ų228.3 Ų28.31%0.0115%0.153CC..Iπ-helixtrans-72-46.7-169.8-76.2-177.6000113.8V123 V159 L160 R284 P291 P315 I318V123-L286 HydrophobicContact CB-CB 4.41Å; V123-L286 HydrophobicContact CG1-CB 4.34Å; V123-L286 WeakPolarHBondContact CG2-O 3.46Å; V159-L286 HydrophobicContact CG1-CD1 3.77Å; L160-L286 HydrophobicContact CD2-CD1 4.44Å; R284-L286 PolarHBondContact O-N 3.49Å; L286-P291 VanDerWaalsContact O-CD 3.27Å; L286-P291 WeakPolarHBondContact O-CD 3.44Å; L286-P315 HydrophobicContact CD2-CB 4.07Å; L286-P315 HydrophobicContact CD2-CG 3.55Å; L286-P315 HydrophobicContact CG-CB 4.38Å; L286-P315 HydrophobicContact CG-CG 4.32Å; L286-I318 HydrophobicContact CD1-CB 4.24Å; L286-I318 HydrophobicContact CD1-CG2 4.47Å
287Y98.3Very high97.6Very high0 Ų026.7 Ų26.70%014%0.138CC..Iπ-helixtrans-109.6-9.1-168.641.1-97.5000114.7Q73 V102 E104 F124 D125 I142 R284 I318 H319Q73-Y287 PolarHBondContact NE2-OH 3.18Å; V102-Y287 HydrophobicContact CG1-CD1 3.98Å; V102-Y287 HydrophobicContact CG1-CE1 4Å; E104-Y287 HydrophobicContact CB-CD2 3.99Å; E104-Y287 HydrophobicContact CB-CE2 3.47Å; E104-Y287 VanDerWaalsContact CB-CE2 3.47Å; E104-Y287 HydrophobicContact CG-CE2 3.74Å; F124-Y287 VanDerWaalsContact C-CB 3.43Å; D125-Y287 HydrophobicContact CB-CD2 4.27Å; I142-Y287 WeakPolarHBondContact CB-O 3.16Å; I142-Y287 WeakPolarHBondContact CG2-O 3.48Å; R284-Y287 HydrophobicContact CB-CD2 3.93Å; R284-Y287 HydrophobicContact CB-CE1 4.18Å; R284-Y287 HydrophobicContact CB-CE2 3.32Å; R284-Y287 VanDerWaalsContact CB-CZ 3.48Å; R284-Y287 HydrophobicContact CG-CE2 3.68Å; R284-Y287 WeakPolarHBondContact CG-OH 3.38Å; Y287-I318 WeakPolarHBondContact CE1-O 3.38Å; Y287-H319 AromaticContact CE1-ND1 3.84Å; Y287-H319 AromaticContact CZ-ND1 3.84Å; Y287-H319 PolarHBondContact OH-ND1 2.96Å
288E98.6Very high97.8Very high6 Ų623.1 Ų23.13%0.02812%0.123CC..Iπ-helixtrans-113.9-61.3173-68.2174.796.200110.9I142 M256 L283 R284 M292I142-E288 HydrophobicContact CD1-CB 4.44Å; I142-E288 HydrophobicContact CD1-CG 4.15Å; M256-E288 HydrophobicContact CE-CB 4.19Å; M256-E288 HydrophobicContact SD-CB 3.71Å; M256-E288 HydrophobicContact SD-CG 4.25Å; L283-E288 WeakPolarHBondContact CA-OE2 3.44Å; L283-E288 HydrophobicContact CB-CB 4.42Å; L283-E288 WeakPolarHBondContact CD2-OE1 3.48Å; R284-E288 WeakPolarHBondContact CB-OE2 3.48Å; R284-E288 WeakPolarHBondContact CD-OE2 3.4Å; R284-E288 PolarHBondContact N-OE2 2.83Å; R284-E288 IonicContact NH1-OE2 3.02Å; R284-E288 WeakPolarHBondContact O-CB 3.36Å; R284-E288 PolarHBondContact O-N 3.17Å; R284-E288 VanDerWaalsContact O-N 3.17Å; E288-M292 WeakPolarHBondContact O-CB 3.45Å; E288-M292 WeakPolarHBondContact O-CG 3.28Å; E288-M292 PolarHBondContact O-N 2.77Å
289C98.7Very high97.9Very high0 Ų022 Ų220%011%0.114CC..Iπ-helixtrans-68.1-52.3-171.6-63.80000113.3R284 L285 M292 A293 I310 I324R284-C289 PolarHBondContact O-N 3.44Å; L285-C289 HydrophobicContact CD1-CB 4.13Å; C289-M292 PolarHBondContact O-N 2.85Å; C289-A293 WeakPolarHBondContact O-CB 3.4Å; C289-A293 PolarHBondContact O-N 2.77Å; C289-I310 HydrophobicContact CB-CG2 3.93Å; C289-I324 HydrophobicContact CB-CD1 3.57Å
290N98.8Very high98.1Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-62.1-49.5-175.9-79.1-22.4000112.7Y146 L166 L285 M292 A293 M294 I310 L311Y146-N290 PolarHBondContact OH-ND2 3.13Å; L166-N290 HydrophobicContact CD1-CB 4.11Å; L285-N290 WeakPolarHBondContact CD1-OD1 3.4Å; L285-N290 VanDerWaalsContact O-CB 3.23Å; L285-N290 WeakPolarHBondContact O-CB 3.41Å; L285-N290 PolarHBondContact O-N 2.83Å; L285-N290 PolarHBondContact O-ND2 3.14Å; N290-M292 VanDerWaalsContact C-N 3.34Å; N290-M292 PolarHBondContact O-N 3.26Å; N290-A293 PolarHBondContact O-N 3.26Å; N290-M294 PolarHBondContact O-N 3.21Å; N290-I310 PolarHBondContact OD1-O 3.43Å; N290-L311 WeakPolarHBondContact O-CD2 3.45Å
291P98.8Very high98.2Very high0 Ų014.7 Ų14.70%08%0.082CC..Hα-helixtrans-60.7-44.1179.2-2637000112.3I142 F143 A169 L286 M294 I295I142-P291 HydrophobicContact CG2-CB 3.67Å; I142-P291 HydrophobicContact CG2-CG 4.03Å; F143-P291 WeakPolarHBondContact O-CB 3.34Å; A169-P291 HydrophobicContact CB-CB 3.96Å; A169-P291 WeakPolarHBondContact CB-O 3.16Å; L286-P291 VanDerWaalsContact O-CD 3.27Å; L286-P291 WeakPolarHBondContact O-CD 3.44Å; P291-M294 PolarHBondContact O-N 2.58Å; P291-I295 WeakPolarHBondContact O-CG1 3.3Å; P291-I295 PolarHBondContact O-N 3.14Å; P291-I295 VanDerWaalsContact O-N 3.13Å
292M98.8Very high98.3Very high0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-68.5-39.5-180-69.4-66.2-172.600112.5I142 Y171 M256 V257 I260 E288 C289 N290 I295 M296 M326I142-M292 HydrophobicContact CD1-CE 3.59Å; I142-M292 HydrophobicContact CG1-CE 3.74Å; I142-M292 HydrophobicContact CG2-CE 4.08Å; I142-M292 HydrophobicContact CG2-CG 4.38Å; Y171-M292 HydrophobicContact CD1-CE 3.64Å; Y171-M292 HydrophobicContact CD1-SD 3.49Å; Y171-M292 WeakPolarHBondContact CD1-SD 3.41Å; Y171-M292 HydrophobicContact CE1-CE 4.4Å; Y171-M292 HydrophobicContact CE1-SD 3.92Å; Y171-M292 HydrophobicContact CG-CE 3.81Å; Y171-M292 HydrophobicContact CG-SD 4.29Å; M256-M292 HydrophobicContact CE-CB 3.94Å; M256-M292 HydrophobicContact CE-CG 3.79Å; M256-M292 HydrophobicContact SD-CG 4.25Å; V257-M292 HydrophobicContact CB-CE 4.2Å; V257-M292 HydrophobicContact CG2-CE 3.55Å; I260-M292 HydrophobicContact CB-SD 4.3Å; I260-M292 HydrophobicContact CD1-CB 3.77Å; I260-M292 HydrophobicContact CD1-CG 3.71Å; I260-M292 HydrophobicContact CD1-SD 3.95Å; I260-M292 HydrophobicContact CG2-SD 3.83Å; E288-M292 WeakPolarHBondContact O-CB 3.45Å; E288-M292 WeakPolarHBondContact O-CG 3.28Å; E288-M292 PolarHBondContact O-N 2.77Å; C289-M292 PolarHBondContact O-N 2.85Å; N290-M292 VanDerWaalsContact C-N 3.34Å; N290-M292 PolarHBondContact O-N 3.26Å; M292-I295 PolarHBondContact O-N 2.96Å; M292-M296 WeakPolarHBondContact O-CB 3.37Å; M292-M296 PolarHBondContact O-N 3.49Å; M292-M326 HydrophobicContact CB-CE 3.78Å; M292-M326 HydrophobicContact CB-SD 4.16Å
293A98.8Very high98.5Very high0 Ų014.7 Ų14.70%08%0.082CC..Hα-helixtrans-62.5-42.1174.600000111.8C289 N290 I295 M296 E297 A303 I310 L311C289-A293 WeakPolarHBondContact O-CB 3.4Å; C289-A293 PolarHBondContact O-N 2.77Å; N290-A293 PolarHBondContact O-N 3.26Å; A293-I295 VanDerWaalsContact C-N 3.33Å; A293-I295 PolarHBondContact O-N 2.96Å; A293-M296 PolarHBondContact O-N 3.38Å; A293-E297 WeakPolarHBondContact O-CB 3.05Å; A293-E297 WeakPolarHBondContact O-CG 3.38Å; A293-E297 PolarHBondContact O-N 3.37Å; A293-A303 HydrophobicContact CB-CB 3.49Å; A293-A303 VanDerWaalsContact CB-CB 3.49Å; A293-I310 HydrophobicContact CB-CB 3.77Å; A293-I310 HydrophobicContact CB-CG2 3.58Å; A293-L311 HydrophobicContact CB-CD2 3.69Å; A293-L311 HydrophobicContact CB-CG 4Å
294M98.8Very high98.6Very high13 Ų1314.6 Ų14.66%0.0648%0.082CC..Hα-helixtrans-60.9-44.1176.5-172.9-169.6-176.700111.1L166 A169 T183 N290 P291 Q298 L311L166-M294 HydrophobicContact CB-CE 4.24Å; L166-M294 HydrophobicContact CB-SD 3.44Å; L166-M294 WeakPolarHBondContact CB-SD 3.48Å; L166-M294 HydrophobicContact CD1-CB 4.07Å; L166-M294 HydrophobicContact CD1-SD 4Å; L166-M294 HydrophobicContact CG-SD 4.34Å; L166-M294 WeakPolarHBondContact O-CE 3.45Å; A169-M294 HydrophobicContact CB-CB 4.05Å; A169-M294 HydrophobicContact CB-CG 4.32Å; A169-M294 HydrophobicContact CB-SD 3.61Å; T183-M294 HydrophobicContact CG2-CE 4.11Å; T183-M294 HydrophobicContact CG2-CG 3.91Å; T183-M294 HydrophobicContact CG2-SD 3.86Å; N290-M294 PolarHBondContact O-N 3.21Å; P291-M294 PolarHBondContact O-N 2.58Å; M294-Q298 HydrophobicContact CG-CG 4.37Å; M294-Q298 WeakPolarHBondContact O-CB 3.26Å; M294-Q298 WeakPolarHBondContact O-CG 3.44Å; M294-Q298 PolarHBondContact O-N 2.76Å; M294-L311 HydrophobicContact CB-CD1 4.38Å; M294-L311 HydrophobicContact CB-CD2 4.22Å
295I98.8Very high98.6Very high1 Ų115.1 Ų15.11%0.0059%0.087CC..Hα-helixtrans-63.8-46.1176.6-65.7164.6000110.5A169 Y171 V181 T183 V188 L264 P291 M292 A293 Q298 G299A169-I295 HydrophobicContact CB-CD1 4.48Å; A169-I295 HydrophobicContact CB-CG1 4.23Å; Y171-I295 HydrophobicContact CD1-CD1 3.43Å; Y171-I295 VanDerWaalsContact CD1-CD1 3.43Å; Y171-I295 HydrophobicContact CE1-CD1 3.76Å; Y171-I295 HydrophobicContact CE1-CG2 4.19Å; V181-I295 HydrophobicContact CG1-CG2 4.07Å; T183-I295 HydrophobicContact CG2-CG1 3.78Å; V188-I295 HydrophobicContact CG1-CG2 3.85Å; V188-I295 HydrophobicContact CG2-CG2 4.14Å; V188-I295 VanDerWaalsContact CG2-O 3.23Å; V188-I295 WeakPolarHBondContact CG2-O 3.17Å; L264-I295 HydrophobicContact CD2-CG2 4.05Å; P291-I295 WeakPolarHBondContact O-CG1 3.3Å; P291-I295 PolarHBondContact O-N 3.14Å; P291-I295 VanDerWaalsContact O-N 3.13Å; M292-I295 PolarHBondContact O-N 2.96Å; A293-I295 VanDerWaalsContact C-N 3.33Å; A293-I295 PolarHBondContact O-N 2.96Å; I295-Q298 PolarHBondContact O-N 3.36Å; I295-G299 PolarHBondContact O-N 3.41Å
296M98.8Very high98.3Very high2 Ų215.5 Ų15.51%0.019%0.09CC..Hα-helixtrans-61-49.1-178.9-170.562.268.300111.9V209 I260 T263 M292 A293 G299 G300 G301 M326V209-M296 HydrophobicContact CB-SD 4.48Å; V209-M296 HydrophobicContact CG1-SD 4.18Å; V209-M296 HydrophobicContact CG2-SD 3.5Å; V209-M296 VanDerWaalsContact CG2-SD 3.5Å; I260-M296 HydrophobicContact CG2-CE 4.02Å; T263-M296 HydrophobicContact CG2-CE 4.1Å; M292-M296 WeakPolarHBondContact O-CB 3.37Å; M292-M296 PolarHBondContact O-N 3.49Å; A293-M296 PolarHBondContact O-N 3.38Å; M296-G299 CarbonylContact O-C 3.54Å; M296-G299 PolarHBondContact O-N 3.02Å; M296-G299 VanDerWaalsContact O-N 3.15Å; M296-G300 PolarHBondContact O-N 2.93Å; M296-G301 WeakPolarHBondContact O-CA 3.19Å; M296-G301 PolarHBondContact O-N 2.9Å; M296-M326 HydrophobicContact CB-SD 4.17Å; M296-M326 HydrophobicContact CE-CG 4.05Å; M296-M326 HydrophobicContact CE-SD 3.83Å; M296-M326 HydrophobicContact CG-CB 4.2Å; M296-M326 HydrophobicContact CG-SD 4.41Å
297E98.7Very high97.9Very high74 Ų7420.2 Ų20.235%0.34612%0.119SC..Hα-helixtrans-66.1-39.1179.1-71.2-174.2-158.500112.1A293 G299 G300 L311A293-E297 WeakPolarHBondContact O-CB 3.05Å; A293-E297 WeakPolarHBondContact O-CG 3.38Å; A293-E297 PolarHBondContact O-N 3.37Å; E297-G299 PolarHBondContact O-N 3.04Å; E297-G300 PolarHBondContact O-N 3.36Å; E297-L311 HydrophobicContact CG-CD1 4.46Å; E297-L311 WeakPolarHBondContact OE2-CD1 3.39Å
298Q98.4Very high97.8Very high65 Ų6523.5 Ų23.530%0.30414%0.136SC..Hα-helixtrans-67.1-21.8174.6-71-72.5-43.100113T183 G185 V188 M294 I295 G300T183-Q298 HydrophobicContact CG2-CG 4.43Å; T183-Q298 WeakPolarHBondContact OG1-CG 2.93Å; G185-Q298 PolarHBondContact O-NE2 2.97Å; G185-Q298 PolarHBondContact O-OE1 3.33Å; G185-Q298 VanDerWaalsContact O-OE1 3.07Å; V188-Q298 HydrophobicContact CG2-CB 3.64Å; M294-Q298 HydrophobicContact CG-CG 4.37Å; M294-Q298 WeakPolarHBondContact O-CB 3.26Å; M294-Q298 WeakPolarHBondContact O-CG 3.44Å; M294-Q298 PolarHBondContact O-N 2.76Å; I295-Q298 PolarHBondContact O-N 3.36Å; Q298-G300 VanDerWaalsContact C-N 3.33Å
299G98.2Very high97.8Very high0 Ų026 Ų260%015%0.153CC..THydrogen-bonded Turntrans-84.8-0170.400000113.9Q208 V209 I295 M296 E297Q208-G299 CarbonylContact C-O 3.46Å; Q208-G299 VanDerWaalsContact CA-O 3.3Å; Q208-G299 WeakPolarHBondContact CA-O 3.3Å; V209-G299 PolarHBondContact N-O 3Å; I295-G299 PolarHBondContact O-N 3.41Å; M296-G299 CarbonylContact O-C 3.54Å; M296-G299 PolarHBondContact O-N 3.02Å; M296-G299 VanDerWaalsContact O-N 3.15Å; E297-G299 PolarHBondContact O-N 3.04Å
300G98.3Very high97.8Very high44 Ų4426 Ų2645%0.45415%0.153SC..THydrogen-bonded Turntrans86.36.3-177.300000114.9M296 E297 Q298M296-G300 PolarHBondContact O-N 2.93Å; E297-G300 PolarHBondContact O-N 3.36Å; Q298-G300 VanDerWaalsContact C-N 3.33Å
301G98.7Very high97.8Very high8 Ų826.7 Ų26.78%0.08216%0.156CC..  trans-82.7-169.3170.800000112.9M296 G327M296-G301 WeakPolarHBondContact O-CA 3.19Å; M296-G301 PolarHBondContact O-N 2.9Å; G301-G327 CarbonylContact C-O 3.59Å; G301-G327 WeakPolarHBondContact CA-O 3.27Å
302K98.7Very high97.8Very high75 Ų7530 Ų3033%0.32617%0.174SC..EExtended strand (participates in β ladder)trans-130.4152.9173.4-68.9-171.1177.3-161.90110.9M326 G327 A329 V332 E333K302-M326 CarbonylContact O-C 3.12Å; K302-M326 WeakPolarHBondContact O-CA 3.42Å; K302-M326 VanDerWaalsContact O-CB 3.28Å; K302-M326 WeakPolarHBondContact O-CB 3.37Å; K302-G327 PolarHBondContact N-O 2.92Å; K302-G327 PolarHBondContact O-N 3.19Å; K302-A329 HydrophobicContact CD-CB 4.35Å; K302-A329 HydrophobicContact CG-CB 4.1Å; K302-V332 HydrophobicContact CB-CB 4Å; K302-V332 HydrophobicContact CB-CG1 3.83Å; K302-V332 HydrophobicContact CB-CG2 4.26Å; K302-E333 HydrophobicContact CD-CG 4.43Å; K302-E333 IonicContact NZ-OE1 2.73Å; K302-E333 PolarHBondContact NZ-OE1 3.08Å
303A98.8Very high97.7Very high4 Ų431.1 Ų31.13%0.03318%0.18CC..EExtended strand (participates in β ladder)trans-138.7126.7171.700000111A293 I310 V325 M326A293-A303 HydrophobicContact CB-CB 3.49Å; A293-A303 VanDerWaalsContact CB-CB 3.49Å; A303-I310 HydrophobicContact CB-CB 4.36Å; A303-I310 HydrophobicContact CB-CG1 4.19Å; A303-I310 PolarHBondContact O-N 3.26Å; A303-I310 VanDerWaalsContact O-N 3.15Å; A303-V325 CarbonylContact C-O 3.47Å; A303-V325 WeakPolarHBondContact CA-O 3.49Å; A303-M326 HydrophobicContact CB-CB 3.71Å; A303-M326 HydrophobicContact CB-CE 4.29Å
304T98.7Very high97.7Very high8 Ų837 Ų375%0.04921%0.205CC..EExtended strand (participates in β ladder)trans-138.8151.2-176-177.20000111.9G306 M308 I324 V325 V332 L336T304-G306 PolarHBondContact O-N 3.28Å; T304-G306 PolarHBondContact OG1-N 3.03Å; T304-M308 WeakPolarHBondContact CA-O 3.18Å; T304-M308 PolarHBondContact OG1-O 3.36Å; T304-I324 CarbonylContact O-C 3.49Å; T304-I324 WeakPolarHBondContact O-CA 3.43Å; T304-V325 HydrophobicContact CG2-CB 4.1Å; T304-V325 PolarHBondContact N-O 2.67Å; T304-V325 PolarHBondContact O-N 3.01Å; T304-V332 HydrophobicContact CG2-CG1 3.86Å; T304-L336 HydrophobicContact CG2-CD1 4.31Å; T304-L336 HydrophobicContact CG2-CD2 3.96Å; T304-L336 HydrophobicContact CG2-CG 4.2Å
305S97.3Very high97.6Very high16 Ų1636.5 Ų36.511%0.11220%0.203CC..  trans-77.91.4166.162.60000113.5T307 M308 P323S305-T307 PolarHBondContact O-N 2.92Å; S305-T307 PolarHBondContact OG-N 3.35Å; S305-T307 PolarHBondContact OG-OG1 3.47Å; S305-M308 PolarHBondContact N-O 3.16Å; S305-M308 PolarHBondContact OG-N 3.32Å; S305-M308 VanDerWaalsContact OG-N 3.16Å; S305-M308 PolarHBondContact OG-O 3.01Å; S305-P323 WeakPolarHBondContact CA-O 3.4Å
306G93.4Very high97.6Very high7 Ų744.4 Ų44.47%0.07224%0.24CC..SBendtrans85.7-15.2-166.800000113.1T304 V339T304-G306 PolarHBondContact O-N 3.28Å; T304-G306 PolarHBondContact OG1-N 3.03Å; G306-V339 WeakPolarHBondContact O-CG1 3.32Å
307T90.2Very high97.5Very high101 Ų10147.1 Ų47.162%0.6226%0.259SS*.SBendtrans-116-37.5176.364.20000112.8S305S305-T307 PolarHBondContact O-N 2.92Å; S305-T307 PolarHBondContact OG-N 3.35Å; S305-T307 PolarHBondContact OG-OG1 3.47Å
308M95.3Very high97.5Very high70 Ų7044.5 Ų44.535%0.34525%0.247SC..SBendtrans-148166.7-179.161.9-173.2-71.400111.4T304 S305 D312 L313T304-M308 WeakPolarHBondContact CA-O 3.18Å; T304-M308 PolarHBondContact OG1-O 3.36Å; S305-M308 PolarHBondContact N-O 3.16Å; S305-M308 PolarHBondContact OG-N 3.32Å; S305-M308 VanDerWaalsContact OG-N 3.16Å; S305-M308 PolarHBondContact OG-O 3.01Å; M308-D312 HydrophobicContact CE-CB 3.75Å; M308-L313 HydrophobicContact CE-CD2 3.98Å; M308-L313 HydrophobicContact CE-CG 4.28Å; M308-L313 HydrophobicContact CG-CD2 3.68Å; M308-L313 HydrophobicContact CG-CG 4.14Å; M308-L313 HydrophobicContact SD-CD2 3.32Å; M308-L313 WeakPolarHBondContact SD-CD2 3.32Å; M308-L313 HydrophobicContact SD-CG 4.16Å
309P98.3Very high97.4Very high59 Ų5943 Ų4338%0.38324%0.24SC..BIsolated β-bridgetrans-60138.8172-23.535.4000111.3L311 D312P309-L311 VanDerWaalsContact C-N 3.3Å; P309-L311 PolarHBondContact O-N 3.2Å; P309-D312 HydrophobicContact CB-CB 4.38Å; P309-D312 PolarHBondContact O-N 3Å
310I98.7Very high97.4Very high0 Ų045.2 Ų45.20%025%0.25CS..G310 helixtrans-59.8-43.2-177.6-69.7-68.9000111.1L285 C289 N290 A293 A303 D312 L313 P323 I324L285-I310 HydrophobicContact CD1-CG2 4.22Å; C289-I310 HydrophobicContact CB-CG2 3.93Å; N290-I310 PolarHBondContact OD1-O 3.43Å; A293-I310 HydrophobicContact CB-CB 3.77Å; A293-I310 HydrophobicContact CB-CG2 3.58Å; A303-I310 HydrophobicContact CB-CB 4.36Å; A303-I310 HydrophobicContact CB-CG1 4.19Å; A303-I310 PolarHBondContact O-N 3.26Å; A303-I310 VanDerWaalsContact O-N 3.15Å; I310-D312 PolarHBondContact O-N 3.44Å; I310-D312 VanDerWaalsContact O-N 3.15Å; I310-L313 HydrophobicContact CD1-CD1 4.08Å; I310-L313 WeakPolarHBondContact O-CB 3.37Å; I310-L313 PolarHBondContact O-N 3.36Å; I310-L313 VanDerWaalsContact O-N 3.16Å; I310-P323 WeakPolarHBondContact CD1-O 3.37Å; I310-I324 HydrophobicContact CD1-CB 4.25Å; I310-I324 HydrophobicContact CD1-CD1 3.89Å; I310-I324 HydrophobicContact CD1-CG1 3.93Å; I310-I324 HydrophobicContact CG1-CD1 3.78Å; I310-I324 HydrophobicContact CG1-CG1 3.93Å; I310-I324 HydrophobicContact CG2-CD1 4.31Å
311L98.6Very high97.3Very high14 Ų1446.7 Ų46.77%0.07324%0.242CC..G310 helixtrans-68-14.7-176.4-61-174.8000114.1G163 K164 N290 A293 M294 E297 P309G163-L311 PolarHBondContact N-O 2.99Å; G163-L311 VanDerWaalsContact N-O 3.14Å; K164-L311 HydrophobicContact CB-CB 4.26Å; K164-L311 PolarHBondContact N-O 2.91Å; N290-L311 WeakPolarHBondContact O-CD2 3.45Å; A293-L311 HydrophobicContact CB-CD2 3.69Å; A293-L311 HydrophobicContact CB-CG 4Å; M294-L311 HydrophobicContact CB-CD1 4.38Å; M294-L311 HydrophobicContact CB-CD2 4.22Å; E297-L311 HydrophobicContact CG-CD1 4.46Å; E297-L311 WeakPolarHBondContact OE2-CD1 3.39Å; P309-L311 VanDerWaalsContact C-N 3.3Å; P309-L311 PolarHBondContact O-N 3.2Å
312D98.5Very high97.3Very high69 Ų6946.6 Ų46.637%0.36924%0.24SC..G310 helixtrans-89.8-13.7177.5-81.3-40.3000113.7K164 M308 P309 I310 K314K164-D312 WeakPolarHBondContact CD-OD1 3.48Å; K164-D312 IonicContact NZ-OD1 2.79Å; K164-D312 PolarHBondContact NZ-OD1 3.19Å; M308-D312 HydrophobicContact CE-CB 3.75Å; P309-D312 HydrophobicContact CB-CB 4.38Å; P309-D312 PolarHBondContact O-N 3Å; I310-D312 PolarHBondContact O-N 3.44Å; I310-D312 VanDerWaalsContact O-N 3.15Å; D312-K314 PolarHBondContact O-N 2.91Å
313L97.9Very high97.3Very high24 Ų2444.1 Ų44.113%0.12623%0.232CC..PPolyproline II helixtrans-63.4124.6176.6-68.7166.7000109.9P162 L285 M308 I310 P315 S322P162-L313 VanDerWaalsContact CA-O 3.32Å; P162-L313 WeakPolarHBondContact CA-O 3.42Å; P162-L313 WeakPolarHBondContact CB-O 3.48Å; L285-L313 HydrophobicContact CD1-CB 4.22Å; L285-L313 HydrophobicContact CD1-CD1 3.8Å; L285-L313 HydrophobicContact CD2-CB 3.95Å; L285-L313 HydrophobicContact CD2-CD1 4.49Å; M308-L313 HydrophobicContact CE-CD2 3.98Å; M308-L313 HydrophobicContact CE-CG 4.28Å; M308-L313 HydrophobicContact CG-CD2 3.68Å; M308-L313 HydrophobicContact CG-CG 4.14Å; M308-L313 HydrophobicContact SD-CD2 3.32Å; M308-L313 WeakPolarHBondContact SD-CD2 3.32Å; M308-L313 HydrophobicContact SD-CG 4.16Å; I310-L313 HydrophobicContact CD1-CD1 4.08Å; I310-L313 WeakPolarHBondContact O-CB 3.37Å; I310-L313 PolarHBondContact O-N 3.36Å; I310-L313 VanDerWaalsContact O-N 3.16Å; L313-P315 WeakPolarHBondContact O-CD 3.48Å; L313-S322 WeakPolarHBondContact CD1-OG 3.38Å
314K97.6Very high97.3Very high122 Ų12243.9 Ų43.953%0.5323%0.23SC..PPolyproline II helixtrans-81.3120.3166.6-175.2177.2179.7-179.10108.3E157 D312E157-K314 IonicContact OE2-NZ 3.17Å; E157-K314 PolarHBondContact OE2-NZ 3.25Å; D312-K314 PolarHBondContact O-N 2.91Å
315P98.1Very high97.3Very high3 Ų343.6 Ų43.62%0.01923%0.228CC..PPolyproline II helixtrans-64.5137.4175.4-20.132.7000112L160 Q161 L285 L286 L313 Q320L160-P315 HydrophobicContact CB-CB 4.43Å; L160-P315 HydrophobicContact CD2-CB 3.96Å; Q161-P315 WeakPolarHBondContact O-CD 3.12Å; Q161-P315 WeakPolarHBondContact O-CG 3.49Å; L285-P315 HydrophobicContact CD2-CB 4.14Å; L285-P315 HydrophobicContact CD2-CG 3.94Å; L286-P315 HydrophobicContact CD2-CB 4.07Å; L286-P315 HydrophobicContact CD2-CG 3.55Å; L286-P315 HydrophobicContact CG-CB 4.38Å; L286-P315 HydrophobicContact CG-CG 4.32Å; L313-P315 WeakPolarHBondContact O-CD 3.48Å; P315-Q320 VanDerWaalsContact CA-OE1 3.22Å
316E97.5Very high97.3Very high168 Ų16842.9 Ų42.979%0.78522%0.223SC*.SBendtrans-99.4-21.8174.9-64.4-179.8-178.500112.1
317S97.6Very high97.6Very high58 Ų5842.5 Ų42.541%0.40622%0.22SC..SBendtrans-150.1158.9174.7750000110.9H319 Q320S317-H319 PolarHBondContact O-N 3.18Å; S317-Q320 WeakPolarHBondContact O-CB 3.19Å; S317-Q320 PolarHBondContact O-N 3.4Å; S317-Q320 PolarHBondContact OG-N 3.08Å
318I97.7Very high98Very high20 Ų2037.7 Ų37.710%0.10319%0.19CC..THydrogen-bonded Turntrans-66.4-21.4-17763.1173.6000113.3V102 V109 L156 V159 L160 L286 Y287V102-I318 HydrophobicContact CG1-CB 4.1Å; V102-I318 HydrophobicContact CG2-CB 4.44Å; V102-I318 HydrophobicContact CG2-CG2 4.37Å; V109-I318 HydrophobicContact CG2-CD1 4.07Å; V109-I318 HydrophobicContact CG2-CG2 3.88Å; L156-I318 HydrophobicContact CD1-CG2 3.69Å; V159-I318 HydrophobicContact CG1-CG2 3.81Å; L160-I318 HydrophobicContact CD2-CG2 3.99Å; L286-I318 HydrophobicContact CD1-CB 4.24Å; L286-I318 HydrophobicContact CD1-CG2 4.47Å; Y287-I318 WeakPolarHBondContact CE1-O 3.38Å
319H97.5Very high98.2Very high33 Ų3335.1 Ų35.115%0.15318%0.18CC..THydrogen-bonded Turntrans-114.217.1-177.9-68.3-46.1000112.5Q73 E106 T107 Y287 S317 R321Q73-H319 PolarHBondContact NE2-ND1 3.37Å; E106-H319 PolarHBondContact O-CE1 2.97Å; E106-H319 PolarHBondContact O-NE2 3.4Å; T107-H319 PolarHBondContact O-NE2 3.36Å; Y287-H319 AromaticContact CE1-ND1 3.84Å; Y287-H319 AromaticContact CZ-ND1 3.84Å; Y287-H319 PolarHBondContact OH-ND1 2.96Å; S317-H319 PolarHBondContact O-N 3.18Å; H319-R321 PolarHBondContact O-N 3.47Å
320Q97.6Very high98.2Very high47 Ų4734 Ų3422%0.2217%0.171CC..  trans-57.7133.5178.3178.6177.43.400110.5R284 L285 P315 S317R284-Q320 CarbonylContact C-O 3.59Å; R284-Q320 WeakPolarHBondContact CA-O 3.4Å; L285-Q320 WeakPolarHBondContact CB-O 3.36Å; L285-Q320 PolarHBondContact N-O 3.02Å; P315-Q320 VanDerWaalsContact CA-OE1 3.22Å; S317-Q320 WeakPolarHBondContact O-CB 3.19Å; S317-Q320 PolarHBondContact O-N 3.4Å; S317-Q320 PolarHBondContact OG-N 3.08Å
321R97.4Very high98.1Very high74 Ų7434 Ų3428%0.27917%0.171SC..BIsolated β-bridgetrans-91.4154.5172.9-63.8178.4-173.5-166.63.1111.4Q73 N280 G281 K282 L283 R284 H319Q73-R321 PolarHBondContact O-NH2 2.7Å; Q73-R321 VanDerWaalsContact O-NH2 3.11Å; N280-R321 CarbonylContact O-C 3.52Å; N280-R321 WeakPolarHBondContact O-CB 3.5Å; G281-R321 WeakPolarHBondContact O-CD 3.27Å; K282-R321 VanDerWaalsContact O-CD 3.3Å; K282-R321 WeakPolarHBondContact O-CD 3.4Å; L283-R321 CarbonylContact O-C 2.95Å; L283-R321 WeakPolarHBondContact O-CA 3.16Å; L283-R321 WeakPolarHBondContact O-CB 3.19Å; R284-R321 HydrophobicContact CG-CG 4.18Å; H319-R321 PolarHBondContact O-N 3.47Å
322S98Very high98.1Very high6 Ų633.3 Ų33.34%0.04217%0.167CC..  trans-141.3140.4173.2-160.90000111N280 L283 L313N280-S322 CarbonylContact O-C 3.53Å; N280-S322 VanDerWaalsContact O-C 3.28Å; N280-S322 WeakPolarHBondContact O-CA 3.38Å; N280-S322 PolarHBondContact O-N 3.08Å; N280-S322 VanDerWaalsContact O-N 3.08Å; L283-S322 PolarHBondContact O-N 2.83Å; L313-S322 WeakPolarHBondContact CD1-OG 3.38Å
323P98Very high98.1Very high23 Ų2333.7 Ų33.715%0.14917%0.166CC..  trans-57.9148.2159.1-20.935.4000109.7Y272 A274 N280 S305 I310Y272-P323 WeakPolarHBondContact O-CA 3.18Å; A274-P323 HydrophobicContact CB-CB 4.37Å; A274-P323 HydrophobicContact CB-CG 3.82Å; N280-P323 WeakPolarHBondContact O-CD 3.45Å; S305-P323 WeakPolarHBondContact CA-O 3.4Å; I310-P323 WeakPolarHBondContact CD1-O 3.37Å
324I98.6Very high98.1Very high0 Ų034.8 Ų34.80%017%0.172CC..EExtended strand (participates in β ladder)trans-144.6136.5175.6-165.8152.3000112.4F270 Y272 L283 C289 T304 I310 M326F270-I324 HydrophobicContact CE1-CG2 4.03Å; Y272-I324 CarbonylContact C-O 3.41Å; Y272-I324 PolarHBondContact N-O 3.03Å; Y272-I324 PolarHBondContact O-N 3.19Å; L283-I324 HydrophobicContact CD1-CG2 3.65Å; C289-I324 HydrophobicContact CB-CD1 3.57Å; T304-I324 CarbonylContact O-C 3.49Å; T304-I324 WeakPolarHBondContact O-CA 3.43Å; I310-I324 HydrophobicContact CD1-CB 4.25Å; I310-I324 HydrophobicContact CD1-CD1 3.89Å; I310-I324 HydrophobicContact CD1-CG1 3.93Å; I310-I324 HydrophobicContact CG1-CD1 3.78Å; I310-I324 HydrophobicContact CG1-CG1 3.93Å; I310-I324 HydrophobicContact CG2-CD1 4.31Å; I324-M326 HydrophobicContact CD1-CE 3.12Å; I324-M326 HydrophobicContact CG1-CE 3.57Å
325V98.7Very high98.1Very high2 Ų229.2 Ų29.21%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-132.9124.1169.41740000107.5I269 F270 M271 A303 T304 V332 Y335I269-V325 HydrophobicContact CD1-CG1 3.55Å; I269-V325 HydrophobicContact CG1-CG1 3.88Å; F270-V325 WeakPolarHBondContact O-CA 3.35Å; M271-V325 HydrophobicContact CB-CG2 4.19Å; M271-V325 HydrophobicContact CG-CG1 3.96Å; M271-V325 HydrophobicContact CG-CG2 4.04Å; A303-V325 CarbonylContact C-O 3.47Å; A303-V325 WeakPolarHBondContact CA-O 3.49Å; T304-V325 HydrophobicContact CG2-CB 4.1Å; T304-V325 PolarHBondContact N-O 2.67Å; T304-V325 PolarHBondContact O-N 3.01Å; V325-V332 HydrophobicContact CG1-CG2 4.49Å; V325-Y335 HydrophobicContact CB-CD1 4.13Å; V325-Y335 HydrophobicContact CB-CE1 4.03Å; V325-Y335 HydrophobicContact CG1-CD1 3.75Å; V325-Y335 HydrophobicContact CG1-CE1 4.13Å; V325-Y335 HydrophobicContact CG1-CG 4.11Å; V325-Y335 HydrophobicContact CG2-CD1 4.08Å; V325-Y335 HydrophobicContact CG2-CE1 3.57Å; V325-Y335 HydrophobicContact CG2-CE2 4.46Å
326M98.7Very high98Very high0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-149.7156.8-177.671.316772.800113.4M256 I260 F270 M292 M296 K302 A303 I324M256-M326 HydrophobicContact CE-CE 4.42Å; I260-M326 HydrophobicContact CD1-CE 4.06Å; I260-M326 HydrophobicContact CD1-SD 3.6Å; I260-M326 HydrophobicContact CG1-SD 4.02Å; I260-M326 HydrophobicContact CG2-SD 4.15Å; F270-M326 HydrophobicContact CB-CG 4.34Å; F270-M326 HydrophobicContact CD1-CG 4.18Å; F270-M326 PolarHBondContact N-O 3.39Å; F270-M326 PolarHBondContact O-N 2.97Å; M292-M326 HydrophobicContact CB-CE 3.78Å; M292-M326 HydrophobicContact CB-SD 4.16Å; M296-M326 HydrophobicContact CB-SD 4.17Å; M296-M326 HydrophobicContact CE-CG 4.05Å; M296-M326 HydrophobicContact CE-SD 3.83Å; M296-M326 HydrophobicContact CG-CB 4.2Å; M296-M326 HydrophobicContact CG-SD 4.41Å; K302-M326 CarbonylContact O-C 3.12Å; K302-M326 WeakPolarHBondContact O-CA 3.42Å; K302-M326 VanDerWaalsContact O-CB 3.28Å; K302-M326 WeakPolarHBondContact O-CB 3.37Å; A303-M326 HydrophobicContact CB-CB 3.71Å; A303-M326 HydrophobicContact CB-CE 4.29Å; I324-M326 HydrophobicContact CD1-CE 3.12Å; I324-M326 HydrophobicContact CG1-CE 3.57Å
327G98.8Very high98Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans149.9-147.1177.800000113G268 G301 K302 A329G268-G327 CarbonylContact O-C 3.56Å; G268-G327 WeakPolarHBondContact O-CA 3.44Å; G301-G327 CarbonylContact C-O 3.59Å; G301-G327 WeakPolarHBondContact CA-O 3.27Å; K302-G327 PolarHBondContact N-O 2.92Å; K302-G327 PolarHBondContact O-N 3.19Å; G327-A329 PolarHBondContact O-N 3.11Å
328S98.8Very high97.9Very high0 Ų024.4 Ų24.40%013%0.126CC..SBendtrans-50128.7172.6-74.10000111.5P210 R211 G213 G267 G268 D330 D331 V332P210-S328 WeakPolarHBondContact O-CA 3.13Å; P210-S328 WeakPolarHBondContact O-CB 3.18Å; P210-S328 PolarHBondContact O-OG 3.06Å; R211-S328 CarbonylContact O-C 3.51Å; R211-S328 WeakPolarHBondContact O-CB 3.24Å; G213-S328 PolarHBondContact N-OG 2.85Å; G267-S328 VanDerWaalsContact CA-OG 3.31Å; G267-S328 WeakPolarHBondContact CA-OG 3.39Å; G268-S328 PolarHBondContact N-OG 3.1Å; G268-S328 WeakPolarHBondContact O-CB 3.4Å; G268-S328 PolarHBondContact O-N 3.02Å; S328-D330 VanDerWaalsContact C-N 3.29Å; S328-D330 PolarHBondContact O-N 2.62Å; S328-D331 WeakPolarHBondContact CB-OD2 3.34Å; S328-D331 PolarHBondContact O-N 3.11Å; S328-D331 VanDerWaalsContact O-N 3.13Å; S328-V332 WeakPolarHBondContact O-CG2 3.29Å; S328-V332 PolarHBondContact O-N 3.43Å
329A98.6Very high97.8Very high15 Ų1524 Ų2412%0.12412%0.124CC..Hα-helixtrans-56.8-40.8-172.300000113.1R211 K302 G327 E333R211-A329 PolarHBondContact O-N 3.31Å; K302-A329 HydrophobicContact CD-CB 4.35Å; K302-A329 HydrophobicContact CG-CB 4.1Å; G327-A329 PolarHBondContact O-N 3.11Å; A329-E333 WeakPolarHBondContact O-CB 3.36Å; A329-E333 VanDerWaalsContact O-CG 3.27Å; A329-E333 WeakPolarHBondContact O-CG 3.4Å; A329-E333 PolarHBondContact O-N 3.06Å
330D98.4Very high97.7Very high36 Ų3628.5 Ų28.519%0.19314%0.14CC..Hα-helixtrans-72.3-36.1-179.7-64.9-18.4000111.8R211 R212 S328 E333 D334R211-D330 WeakPolarHBondContact CD-OD2 3.16Å; R211-D330 WeakPolarHBondContact CG-OD2 3.22Å; R211-D330 IonicContact CZ-OD1 3.06Å; R211-D330 VanDerWaalsContact NE-CG 3.32Å; R211-D330 IonicContact NE-OD1 3.92Å; R211-D330 PolarHBondContact NE-OD1 2.86Å; R211-D330 IonicContact NE-OD2 2.84Å; R211-D330 PolarHBondContact NE-OD2 3.38Å; R211-D330 IonicContact NH2-OD1 2.93Å; R211-D330 PolarHBondContact NH2-OD1 3.44Å; R211-D330 WeakPolarHBondContact O-CB 3.35Å; R211-D330 PolarHBondContact O-N 3.17Å; R212-D330 HydrophobicContact CB-CB 4.18Å; S328-D330 VanDerWaalsContact C-N 3.29Å; S328-D330 PolarHBondContact O-N 2.62Å; D330-E333 PolarHBondContact O-N 2.98Å; D330-D334 PolarHBondContact O-N 3.44Å
331D98.4Very high97.6Very high0 Ų033.2 Ų33.20%016%0.156CC..Hα-helixtrans-69-37.2177.4-66.8-61.9000111.7R212 G213 Y233 K237 Y248 I269 S328 D334 Y335R212-D331 IonicContact NH1-OD1 2.69Å; G213-D331 PolarHBondContact N-OD2 2.88Å; Y233-D331 PolarHBondContact OH-O 3.47Å; K237-D331 IonicContact NZ-OD1 3.16Å; Y248-D331 VanDerWaalsContact CE1-OD1 3.26Å; Y248-D331 WeakPolarHBondContact CE1-OD1 3.27Å; Y248-D331 PolarHBondContact OH-OD1 3.36Å; I269-D331 HydrophobicContact CB-CB 4.13Å; I269-D331 HydrophobicContact CD1-CB 4.39Å; S328-D331 WeakPolarHBondContact CB-OD2 3.34Å; S328-D331 PolarHBondContact O-N 3.11Å; S328-D331 VanDerWaalsContact O-N 3.13Å; D331-D334 PolarHBondContact O-N 3.08Å; D331-Y335 PolarHBondContact O-N 3.34Å
332V98.5Very high97.3Very high0 Ų031.1 Ų31.10%015%0.149CC..Hα-helixtrans-69.8-37.4174.8177.70000111.4I269 K302 T304 V325 S328 Y335 L336I269-V332 HydrophobicContact CD1-CG2 4.17Å; I269-V332 HydrophobicContact CG1-CG2 4.26Å; K302-V332 HydrophobicContact CB-CB 4Å; K302-V332 HydrophobicContact CB-CG1 3.83Å; K302-V332 HydrophobicContact CB-CG2 4.26Å; T304-V332 HydrophobicContact CG2-CG1 3.86Å; V325-V332 HydrophobicContact CG1-CG2 4.49Å; S328-V332 WeakPolarHBondContact O-CG2 3.29Å; S328-V332 PolarHBondContact O-N 3.43Å; V332-Y335 PolarHBondContact O-N 3.3Å; V332-L336 HydrophobicContact CG1-CD1 4.27Å; V332-L336 WeakPolarHBondContact O-CG 3.25Å; V332-L336 PolarHBondContact O-N 3.2Å
333E97.9Very high96.7Very high76 Ų7636 Ų3636%0.35517%0.169SC..Hα-helixtrans-61.4-45172-81-83177.300112K302 A329 D330 Y335 L336 A337K302-E333 HydrophobicContact CD-CG 4.43Å; K302-E333 IonicContact NZ-OE1 2.73Å; K302-E333 PolarHBondContact NZ-OE1 3.08Å; A329-E333 WeakPolarHBondContact O-CB 3.36Å; A329-E333 VanDerWaalsContact O-CG 3.27Å; A329-E333 WeakPolarHBondContact O-CG 3.4Å; A329-E333 PolarHBondContact O-N 3.06Å; D330-E333 PolarHBondContact O-N 2.98Å; E333-Y335 PolarHBondContact O-N 2.91Å; E333-L336 PolarHBondContact O-N 2.99Å; E333-A337 PolarHBondContact O-N 3.35Å
334D97Very high95.5Very high47 Ų4741.5 Ų41.525%0.25120%0.197SC..Hα-helixtrans-54.9-53.6173.7-68.2-10.7000109.2R212 Y233 K237 D330 D331 L336 A337 Y338R212-D334 IonicContact CZ-OD2 3.45Å; R212-D334 IonicContact NH1-OD2 3.18Å; R212-D334 PolarHBondContact NH1-OD2 2.78Å; R212-D334 IonicContact NH2-OD1 3.06Å; R212-D334 PolarHBondContact NH2-OD1 2.97Å; R212-D334 IonicContact NH2-OD2 2.83Å; R212-D334 PolarHBondContact NH2-OD2 3.47Å; Y233-D334 HydrophobicContact CE2-CB 3.92Å; K237-D334 IonicContact NZ-OD2 3.54Å; K237-D334 PolarHBondContact NZ-OD2 3.47Å; K237-D334 VanDerWaalsContact NZ-OD2 3.16Å; D330-D334 PolarHBondContact O-N 3.44Å; D331-D334 PolarHBondContact O-N 3.08Å; D334-L336 PolarHBondContact O-N 2.86Å; D334-A337 WeakPolarHBondContact O-CA 3.43Å; D334-A337 VanDerWaalsContact O-CB 3.27Å; D334-A337 WeakPolarHBondContact O-CB 3.43Å; D334-A337 PolarHBondContact O-N 3.23Å; D334-Y338 WeakPolarHBondContact O-CD2 3.45Å; D334-Y338 PolarHBondContact O-N 3.15Å
335Y97.6Very high93.7Very high6 Ų646 Ų462%0.02422%0.218CC..Hα-helixtrans-55.2-47.1178.4173.4-100.1000112.6T230 Y233 M271 V325 D331 V332 E333 A337 Y338 V339T230-Y335 PolarHBondContact OG1-OH 3.12Å; Y233-Y335 AromaticContact CD1-CD2 3.89Å; Y233-Y335 HydrophobicContact CD1-CD2 3.89Å; Y233-Y335 HydrophobicContact CD2-CD2 4.37Å; Y233-Y335 HydrophobicContact CE1-CD2 4.37Å; Y233-Y335 AromaticContact CG-CD2 3.89Å; Y233-Y335 HydrophobicContact CG-CD2 3.89Å; M271-Y335 HydrophobicContact SD-CD2 4.26Å; M271-Y335 HydrophobicContact SD-CE2 4.5Å; V325-Y335 HydrophobicContact CB-CD1 4.13Å; V325-Y335 HydrophobicContact CB-CE1 4.03Å; V325-Y335 HydrophobicContact CG1-CD1 3.75Å; V325-Y335 HydrophobicContact CG1-CE1 4.13Å; V325-Y335 HydrophobicContact CG1-CG 4.11Å; V325-Y335 HydrophobicContact CG2-CD1 4.08Å; V325-Y335 HydrophobicContact CG2-CE1 3.57Å; V325-Y335 HydrophobicContact CG2-CE2 4.46Å; D331-Y335 PolarHBondContact O-N 3.34Å; V332-Y335 PolarHBondContact O-N 3.3Å; E333-Y335 PolarHBondContact O-N 2.91Å; Y335-A337 PolarHBondContact O-N 2.66Å; Y335-Y338 WeakPolarHBondContact O-CB 3.14Å; Y335-Y338 PolarHBondContact O-N 3.42Å; Y335-Y338 VanDerWaalsContact O-N 3.08Å; Y335-V339 HydrophobicContact CD1-CG2 4.09Å; Y335-V339 HydrophobicContact CE1-CG2 3.55Å; Y335-V339 HydrophobicContact CE2-CG2 4.21Å; Y335-V339 PolarHBondContact O-N 3.42Å
336L97.4Very high91.2Very high31 Ų3155.9 Ų55.916%0.16226%0.261CS..Hα-helixtrans-62.4-29.7177.7-75.7171.5000112.6T304 V332 E333 D334 V339 R340T304-L336 HydrophobicContact CG2-CD1 4.31Å; T304-L336 HydrophobicContact CG2-CD2 3.96Å; T304-L336 HydrophobicContact CG2-CG 4.2Å; V332-L336 HydrophobicContact CG1-CD1 4.27Å; V332-L336 WeakPolarHBondContact O-CG 3.25Å; V332-L336 PolarHBondContact O-N 3.2Å; E333-L336 PolarHBondContact O-N 2.99Å; D334-L336 PolarHBondContact O-N 2.86Å; L336-V339 PolarHBondContact O-N 3.39Å; L336-R340 WeakPolarHBondContact O-CG 3.11Å; L336-R340 PolarHBondContact O-N 2.75Å
337A96.7Very high90.8Very high45 Ų4558.7 Ų58.737%0.37227%0.274SS..Hα-helixtrans-65.2-40.4173.200000111.9E333 D334 Y335 R340 R341E333-A337 PolarHBondContact O-N 3.35Å; D334-A337 WeakPolarHBondContact O-CA 3.43Å; D334-A337 VanDerWaalsContact O-CB 3.27Å; D334-A337 WeakPolarHBondContact O-CB 3.43Å; D334-A337 PolarHBondContact O-N 3.23Å; Y335-A337 PolarHBondContact O-N 2.66Å; A337-R340 PolarHBondContact O-N 3.37Å; A337-R341 WeakPolarHBondContact O-CB 3.27Å; A337-R341 PolarHBondContact O-N 3.07Å
338Y96.3Very high90.4Very high52 Ų5261.7 Ų61.720%0.20429%0.289CS..Hα-helixtrans-61.7-46.8170.8-71.4-92.6000111Q232 Y233 D236 D334 Y335 R340 R341 F342Q232-Y338 HydrophobicContact CB-CD1 4.12Å; Q232-Y338 HydrophobicContact CB-CE1 4.38Å; Q232-Y338 HydrophobicContact CG-CD1 3.91Å; Q232-Y338 HydrophobicContact CG-CE1 3.75Å; Y233-Y338 AromaticContact CD2-CD2 3.58Å; Y233-Y338 HydrophobicContact CD2-CD2 3.58Å; Y233-Y338 AromaticContact CD2-CE2 3.71Å; Y233-Y338 HydrophobicContact CD2-CE2 3.71Å; Y233-Y338 HydrophobicContact CD2-CG 4.42Å; Y233-Y338 HydrophobicContact CG-CD2 4.33Å; D236-Y338 WeakPolarHBondContact OD2-CE1 3.44Å; D236-Y338 PolarHBondContact OD2-OH 3.07Å; D334-Y338 WeakPolarHBondContact O-CD2 3.45Å; D334-Y338 PolarHBondContact O-N 3.15Å; Y335-Y338 WeakPolarHBondContact O-CB 3.14Å; Y335-Y338 PolarHBondContact O-N 3.42Å; Y335-Y338 VanDerWaalsContact O-N 3.08Å; Y338-R340 VanDerWaalsContact C-N 3.32Å; Y338-R340 PolarHBondContact O-N 2.93Å; Y338-R341 PolarHBondContact O-N 3.11Å; Y338-F342 HydrophobicContact CD1-CE2 4.22Å; Y338-F342 WeakPolarHBondContact O-CD2 3.23Å; Y338-F342 PolarHBondContact O-N 2.82Å
339V95.7Very high89.9Confident12 Ų1265.2 Ų65.27%0.07331%0.305CS..Hα-helixtrans-58.6-43.8178.9177.30000111.6A229 G306 Y335 L336 K343A229-V339 HydrophobicContact CB-CG2 4.14Å; G306-V339 WeakPolarHBondContact O-CG1 3.32Å; Y335-V339 HydrophobicContact CD1-CG2 4.09Å; Y335-V339 HydrophobicContact CE1-CG2 3.55Å; Y335-V339 HydrophobicContact CE2-CG2 4.21Å; Y335-V339 PolarHBondContact O-N 3.42Å; L336-V339 PolarHBondContact O-N 3.39Å; V339-K343 HydrophobicContact CG1-CD 4.11Å; V339-K343 HydrophobicContact CG1-CG 4.47Å; V339-K343 WeakPolarHBondContact O-CB 3.47Å; V339-K343 VanDerWaalsContact O-CG 3.29Å; V339-K343 WeakPolarHBondContact O-CG 3.32Å; V339-K343 PolarHBondContact O-N 3.14Å; V339-K343 VanDerWaalsContact O-N 3.08Å
340R95.3Very high89.4Confident127 Ų12768.1 Ų68.148%0.47932%0.316SS..Hα-helixtrans-63.6-44.7176.2-73.6-176-64.8-97.93112.2L336 A337 Y338 K343 N344L336-R340 WeakPolarHBondContact O-CG 3.11Å; L336-R340 PolarHBondContact O-N 2.75Å; A337-R340 PolarHBondContact O-N 3.37Å; Y338-R340 VanDerWaalsContact C-N 3.32Å; Y338-R340 PolarHBondContact O-N 2.93Å; R340-K343 PolarHBondContact O-N 2.94Å; R340-N344 PolarHBondContact O-N 3.5Å; R340-N344 PolarHBondContact O-ND2 3.09Å
341R94.5Very high88.9Confident145 Ų14570.1 Ų70.155%0.54732%0.323SS..Hα-helixtrans-58.1-52.8179.1175.9-179.8163.7-177.2-3111.4A337 Y338 K343 N344 E345A337-R341 WeakPolarHBondContact O-CB 3.27Å; A337-R341 PolarHBondContact O-N 3.07Å; Y338-R341 PolarHBondContact O-N 3.11Å; R341-K343 VanDerWaalsContact C-N 3.33Å; R341-K343 PolarHBondContact O-N 3.28Å; R341-N344 PolarHBondContact O-N 3.43Å; R341-E345 IonicContact NE-OE1 3.21Å
342F92.2Very high88.2Confident31 Ų3174.8 Ų74.814%0.13635%0.345CS..Hα-helixtrans-75.9-17.1-176.2-77.7-81.1000114.2K228 A229 Q232 Y338 E345K228-F342 HydrophobicContact CB-CD1 3.69Å; K228-F342 HydrophobicContact CB-CE1 3.85Å; K228-F342 HydrophobicContact CB-CG 4.26Å; K228-F342 HydrophobicContact CD-CD1 4.26Å; K228-F342 HydrophobicContact CD-CE1 4.36Å; A229-F342 HydrophobicContact CB-CB 4.07Å; A229-F342 HydrophobicContact CB-CD2 3.9Å; A229-F342 HydrophobicContact CB-CG 4.24Å; Q232-F342 HydrophobicContact CB-CE2 3.78Å; Q232-F342 HydrophobicContact CB-CZ 3.89Å; Q232-F342 HydrophobicContact CG-CE2 4.04Å; Q232-F342 HydrophobicContact CG-CZ 4.07Å; Y338-F342 HydrophobicContact CD1-CE2 4.22Å; Y338-F342 WeakPolarHBondContact O-CD2 3.23Å; Y338-F342 PolarHBondContact O-N 2.82Å; F342-E345 VanDerWaalsContact CD1-OE2 3.27Å; F342-E345 WeakPolarHBondContact CD1-OE2 3.24Å
343K85Confident87.5Confident108 Ų10880.1 Ų80.147%0.4737%0.369SS..Hα-helixtrans-72.1-32169.4-83.2-179.3179.8177.50113.1V339 R340 R341 E345V339-K343 HydrophobicContact CG1-CD 4.11Å; V339-K343 HydrophobicContact CG1-CG 4.47Å; V339-K343 WeakPolarHBondContact O-CB 3.47Å; V339-K343 VanDerWaalsContact O-CG 3.29Å; V339-K343 WeakPolarHBondContact O-CG 3.32Å; V339-K343 PolarHBondContact O-N 3.14Å; V339-K343 VanDerWaalsContact O-N 3.08Å; R340-K343 PolarHBondContact O-N 2.94Å; R341-K343 VanDerWaalsContact C-N 3.33Å; R341-K343 PolarHBondContact O-N 3.28Å; K343-E345 VanDerWaalsContact C-N 3.27Å
344N71.6Confident86.7Confident138 Ų13880.5 Ų80.574%0.73837%0.371SS*.THydrogen-bonded Turntrans-81.9-6.3179.9-66.5-18.4000113.1R340 R341 F346R340-N344 PolarHBondContact O-N 3.5Å; R340-N344 PolarHBondContact O-ND2 3.09Å; R341-N344 PolarHBondContact O-N 3.43Å; N344-F346 VanDerWaalsContact C-N 3.26Å
345E61.9Low85.9Confident96 Ų9683.3 Ų83.345%0.44938%0.38SS..THydrogen-bonded Turntrans-84.92.9177.7-70.1176.7-172.700112.6R341 F342 K343R341-E345 IonicContact NE-OE1 3.21Å; F342-E345 VanDerWaalsContact CD1-OE2 3.27Å; F342-E345 WeakPolarHBondContact CD1-OE2 3.24Å; K343-E345 VanDerWaalsContact C-N 3.27Å
346F46.1Very low84.8Confident208 Ų20890.3 Ų90.391%0.91241%0.413SS*.  trans-139.50177.7-63.9-75.9000111.9N344N344-F346 VanDerWaalsContact C-N 3.26Å

Retrieved 346 of 346 residues in 152.7 ms (Link to these results)

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