A0A096N0S2_PAPAN Loading...

N-terminal Xaa-Pro-Lys N-methyltransferase 2

AlphaFold DB (A0A2K5LK44), UniProt , Accession A0A096N0S2, Species PAPAN (Papio anubis, Olive baboon), Gene NTMT2, Length 283 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
1M46.8Very low70.2Confident215 Ų21587.9 Ų87.9100%1.05949%0.493SS*.  0-50.50-66.3-150.4-151.100112.5G5M1-G5 PolarHBondContact O-N 3.02Å
2A52.5Low71.1Confident84 Ų8486.3 Ų86.369%0.69449%0.492SS*.Hα-helixtrans-63.9-40.6177.600000114G5 A6A2-G5 PolarHBondContact O-N 3.06Å; A2-A6 PolarHBondContact O-N 3.29Å
3H56.4Low71.6Confident132 Ų13294.4 Ų94.461%0.61151%0.51SS*.Hα-helixtrans-65.5-45176.5-72.3-69.4000113G5 A6 H7H3-G5 VanDerWaalsContact C-N 3.3Å; H3-G5 PolarHBondContact O-N 3.46Å; H3-A6 CarbonylContact O-C 3.6Å; H3-A6 WeakPolarHBondContact O-CB 3.48Å; H3-A6 PolarHBondContact O-N 3.3Å; H3-A6 VanDerWaalsContact O-N 3.09Å; H3-H7 PolarHBondContact O-N 3.39Å
4L65.8Low72Confident78 Ų7891.5 Ų91.541%0.40849%0.488SS..Hα-helixtrans-57.2-42.2174.4-148.479000112.3H7 F8 E227L4-H7 PolarHBondContact O-N 2.6Å; L4-F8 HydrophobicContact CD2-CE2 3.77Å; L4-F8 HydrophobicContact CD2-CZ 4.49Å; L4-F8 HydrophobicContact CG-CD2 4.24Å; L4-F8 HydrophobicContact CG-CE2 3.67Å; L4-F8 HydrophobicContact CG-CZ 4.42Å; L4-F8 WeakPolarHBondContact O-CD2 3.48Å; L4-F8 WeakPolarHBondContact O-CG 3.49Å; L4-F8 PolarHBondContact O-N 2.78Å; L4-E227 HydrophobicContact CD1-CG 4.47Å; L4-E227 WeakPolarHBondContact CD1-OE1 3.43Å; L4-E227 PolarHBondContact N-OE1 3.08Å
5G72.6Confident72Confident41 Ų4195 Ų9542%0.42350%0.5SS..Hα-helixtrans-63.7-41.5174.300000113.1M1 A2 H3 F8 A9M1-G5 PolarHBondContact O-N 3.02Å; A2-G5 PolarHBondContact O-N 3.06Å; H3-G5 VanDerWaalsContact C-N 3.3Å; H3-G5 PolarHBondContact O-N 3.46Å; G5-F8 PolarHBondContact O-N 2.95Å; G5-A9 WeakPolarHBondContact O-CB 3.47Å; G5-A9 PolarHBondContact O-N 2.96Å
6A74.5Confident71.7Confident59 Ų5997.8 Ų97.849%0.48851%0.507SS..Hα-helixtrans-65.1-40.1174.700000112.1A2 H3 A9 F10A2-A6 PolarHBondContact O-N 3.29Å; H3-A6 CarbonylContact O-C 3.6Å; H3-A6 WeakPolarHBondContact O-CB 3.48Å; H3-A6 PolarHBondContact O-N 3.3Å; H3-A6 VanDerWaalsContact O-N 3.09Å; A6-A9 PolarHBondContact O-N 2.95Å; A6-F10 VanDerWaalsContact O-CB 3.31Å; A6-F10 WeakPolarHBondContact O-CB 3.32Å; A6-F10 PolarHBondContact O-N 2.84Å
7H81.7Confident71.5Confident4 Ų493.7 Ų93.72%0.01949%0.487CS..Hα-helixtrans-63-44.5174.1-179.670.7000111.4H3 L4 A9 F10 R11 Y44 E47H3-H7 PolarHBondContact O-N 3.39Å; L4-H7 PolarHBondContact O-N 2.6Å; H7-A9 PolarHBondContact O-N 3.49Å; H7-F10 PolarHBondContact O-N 3.39Å; H7-R11 VanDerWaalsContact O-CB 3.22Å; H7-R11 WeakPolarHBondContact O-CB 3.29Å; H7-R11 PolarHBondContact O-N 2.84Å; H7-Y44 AromaticContact CD2-CE1 3.63Å; H7-Y44 AromaticContact CD2-CZ 3.72Å; H7-Y44 AromaticContact CE1-CD1 3.46Å; H7-Y44 VanDerWaalsContact CE1-CD1 3.46Å; H7-Y44 WeakPolarHBondContact CE1-CD1 3.28Å; H7-Y44 AromaticContact CE1-CE1 3.26Å; H7-Y44 WeakPolarHBondContact CE1-CE1 3.49Å; H7-Y44 AromaticContact CE1-CE2 3.9Å; H7-Y44 AromaticContact CE1-CG 3.89Å; H7-Y44 AromaticContact CE1-CZ 3.51Å; H7-Y44 AromaticContact CG-CE1 3.59Å; H7-Y44 AromaticContact ND1-CD1 3.51Å; H7-Y44 AromaticContact ND1-CE1 3.34Å; H7-Y44 VanDerWaalsContact ND1-CE1 3.34Å; H7-Y44 WeakPolarHBondContact ND1-CE1 3.27Å; H7-Y44 AromaticContact NE2-CE1 3.48Å; H7-Y44 WeakPolarHBondContact NE2-CE1 3.44Å; H7-Y44 AromaticContact NE2-CE2 3.84Å; H7-Y44 AromaticContact NE2-CZ 3.32Å; H7-Y44 VanDerWaalsContact NE2-CZ 3.32Å; H7-E47 IonicContact CE1-OE1 2.83Å; H7-E47 IonicContact CG-OE1 3.21Å; H7-E47 IonicContact ND1-OE1 2.66Å; H7-E47 PolarHBondContact ND1-OE1 2.87Å; H7-E47 IonicContact ND1-OE2 2.69Å
8F81.3Confident71.1Confident113 Ų11391.4 Ų91.450%0.49648%0.476SS..Hα-helixtrans-63.4-40.5175.8-74.8-56.9000112.5L4 G5 R11 S12L4-F8 HydrophobicContact CD2-CE2 3.77Å; L4-F8 HydrophobicContact CD2-CZ 4.49Å; L4-F8 HydrophobicContact CG-CD2 4.24Å; L4-F8 HydrophobicContact CG-CE2 3.67Å; L4-F8 HydrophobicContact CG-CZ 4.42Å; L4-F8 WeakPolarHBondContact O-CD2 3.48Å; L4-F8 WeakPolarHBondContact O-CG 3.49Å; L4-F8 PolarHBondContact O-N 2.78Å; G5-F8 PolarHBondContact O-N 2.95Å; F8-R11 PolarHBondContact O-N 3.36Å; F8-S12 WeakPolarHBondContact O-CB 3.4Å; F8-S12 PolarHBondContact O-N 3.01Å
9A78.2Confident71Confident64 Ų6494.6 Ų94.653%0.52949%0.494SS..Hα-helixtrans-64-43.4174.300000111.6G5 A6 H7 S12 R13G5-A9 WeakPolarHBondContact O-CB 3.47Å; G5-A9 PolarHBondContact O-N 2.96Å; A6-A9 PolarHBondContact O-N 2.95Å; H7-A9 PolarHBondContact O-N 3.49Å; A9-S12 PolarHBondContact O-N 3.29Å; A9-R13 PolarHBondContact O-N 3.22Å
10F80.8Confident71Confident51 Ų5197.7 Ų97.722%0.22451%0.505CS..Hα-helixtrans-59.9-52.8174.4-176.6-94.4000110.7A6 H7 S12 R13 W14 L43 L46 E47A6-F10 VanDerWaalsContact O-CB 3.31Å; A6-F10 WeakPolarHBondContact O-CB 3.32Å; A6-F10 PolarHBondContact O-N 2.84Å; H7-F10 PolarHBondContact O-N 3.39Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 2.84Å; F10-R13 WeakPolarHBondContact O-CA 3.5Å; F10-R13 WeakPolarHBondContact O-CB 3.35Å; F10-R13 PolarHBondContact O-N 3.47Å; F10-W14 AromaticContact CD1-CD1 3.45Å; F10-W14 VanDerWaalsContact CD1-CD1 3.45Å; F10-W14 AromaticContact CD1-NE1 3.87Å; F10-W14 AromaticContact CD2-CD1 3.82Å; F10-W14 AromaticContact CD2-NE1 3.55Å; F10-W14 AromaticContact CE1-CD1 3.28Å; F10-W14 HydrophobicContact CE1-CG 4.24Å; F10-W14 AromaticContact CE1-NE1 3.38Å; F10-W14 AromaticContact CE2-CD1 3.69Å; F10-W14 AromaticContact CE2-NE1 3.04Å; F10-W14 AromaticContact CG-CD1 3.73Å; F10-W14 AromaticContact CG-NE1 3.96Å; F10-W14 AromaticContact CZ-CD1 3.42Å; F10-W14 VanDerWaalsContact CZ-CD1 3.42Å; F10-W14 AromaticContact CZ-CE2 3.83Å; F10-W14 HydrophobicContact CZ-CG 4.47Å; F10-W14 HydrophobicContact CZ-CZ2 4.42Å; F10-W14 AromaticContact CZ-NE1 2.95Å; F10-W14 PolarHBondContact O-N 2.89Å; F10-L43 HydrophobicContact CD1-CD2 4.45Å; F10-L43 HydrophobicContact CE1-CB 4.46Å; F10-L43 HydrophobicContact CE1-CD2 4.04Å; F10-L46 HydrophobicContact CZ-CD2 4.28Å; F10-L46 HydrophobicContact CZ-CG 4.31Å; F10-E47 HydrophobicContact CD1-CG 3.5Å; F10-E47 VanDerWaalsContact CD1-CG 3.5Å; F10-E47 WeakPolarHBondContact CD1-OE1 3.47Å; F10-E47 HydrophobicContact CD2-CG 4.04Å; F10-E47 HydrophobicContact CE1-CG 3.41Å; F10-E47 VanDerWaalsContact CE1-CG 3.41Å; F10-E47 HydrophobicContact CE2-CG 3.94Å; F10-E47 HydrophobicContact CG-CG 3.82Å; F10-E47 WeakPolarHBondContact CG-OE1 3.48Å; F10-E47 HydrophobicContact CZ-CG 3.61Å
11R81.4Confident71.2Confident126 Ų12694.7 Ų94.748%0.47549%0.49SS..Hα-helixtrans-56.4-44.4176.8176.7170.5164-179.1-4.4112.3H7 F8 R13 W14 Q15 L43H7-R11 VanDerWaalsContact O-CB 3.22Å; H7-R11 WeakPolarHBondContact O-CB 3.29Å; H7-R11 PolarHBondContact O-N 2.84Å; F8-R11 PolarHBondContact O-N 3.36Å; R11-R13 VanDerWaalsContact C-N 3.29Å; R11-R13 PolarHBondContact O-N 2.86Å; R11-W14 PolarHBondContact O-N 3.35Å; R11-Q15 WeakPolarHBondContact O-CB 3.48Å; R11-Q15 PolarHBondContact O-N 3.44Å; R11-L43 HydrophobicContact CB-CD1 3.84Å; R11-L43 HydrophobicContact CG-CD1 3.57Å
12S80.9Confident72.5Confident69 Ų6988.2 Ų88.248%0.48347%0.465SS..Hα-helixtrans-62.7-36.1176.5-177.40000112.3F8 A9 F10F8-S12 WeakPolarHBondContact O-CB 3.4Å; F8-S12 PolarHBondContact O-N 3.01Å; A9-S12 PolarHBondContact O-N 3.29Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 2.84Å
13R77.9Confident73.6Confident191 Ų19193.7 Ų93.772%0.72147%0.468SS*.Hα-helixtrans-65.3-44.9174.3-178.3-179.2178.1178.30.2111A9 F10 R11 T17A9-R13 PolarHBondContact O-N 3.22Å; F10-R13 WeakPolarHBondContact O-CA 3.5Å; F10-R13 WeakPolarHBondContact O-CB 3.35Å; F10-R13 PolarHBondContact O-N 3.47Å; R11-R13 VanDerWaalsContact C-N 3.29Å; R11-R13 PolarHBondContact O-N 2.86Å; R13-T17 PolarHBondContact O-OG1 3.26Å; R13-T17 VanDerWaalsContact O-OG1 3.09Å
14W77Confident74.5Confident54 Ų5495.5 Ų95.521%0.20548%0.476CS..Hα-helixtrans-77.3-20.8-177-74.4101.9000114.7F10 R11 K16 T17 H31 L43 L46F10-W14 AromaticContact CD1-CD1 3.45Å; F10-W14 VanDerWaalsContact CD1-CD1 3.45Å; F10-W14 AromaticContact CD1-NE1 3.87Å; F10-W14 AromaticContact CD2-CD1 3.82Å; F10-W14 AromaticContact CD2-NE1 3.55Å; F10-W14 AromaticContact CE1-CD1 3.28Å; F10-W14 HydrophobicContact CE1-CG 4.24Å; F10-W14 AromaticContact CE1-NE1 3.38Å; F10-W14 AromaticContact CE2-CD1 3.69Å; F10-W14 AromaticContact CE2-NE1 3.04Å; F10-W14 AromaticContact CG-CD1 3.73Å; F10-W14 AromaticContact CG-NE1 3.96Å; F10-W14 AromaticContact CZ-CD1 3.42Å; F10-W14 VanDerWaalsContact CZ-CD1 3.42Å; F10-W14 AromaticContact CZ-CE2 3.83Å; F10-W14 HydrophobicContact CZ-CG 4.47Å; F10-W14 HydrophobicContact CZ-CZ2 4.42Å; F10-W14 AromaticContact CZ-NE1 2.95Å; F10-W14 PolarHBondContact O-N 2.89Å; R11-W14 PolarHBondContact O-N 3.35Å; W14-K16 PolarHBondContact O-N 3.03Å; W14-T17 WeakPolarHBondContact CA-OG1 3.36Å; W14-T17 HydrophobicContact CE3-CG2 3.86Å; W14-T17 HydrophobicContact CZ3-CG2 3.86Å; W14-T17 PolarHBondContact O-N 2.93Å; W14-H31 AromaticContact CH2-CE1 3.63Å; W14-H31 AromaticContact CH2-NE2 3.8Å; W14-H31 AromaticContact CZ3-CE1 3.36Å; W14-H31 WeakPolarHBondContact CZ3-CE1 3.5Å; W14-H31 AromaticContact CZ3-NE2 3.46Å; W14-H31 WeakPolarHBondContact CZ3-NE2 3.14Å; W14-L43 HydrophobicContact CB-CD2 3.86Å; W14-L43 HydrophobicContact CG-CD2 4.17Å; W14-L46 HydrophobicContact CD2-CD2 4.37Å; W14-L46 HydrophobicContact CH2-CD2 4.18Å; W14-L46 HydrophobicContact CZ2-CD2 4.01Å; W14-L46 HydrophobicContact CZ3-CD2 4.43Å
15Q71.9Confident75.4Confident144 Ų14493.3 Ų93.367%0.67347%0.468SS*.THydrogen-bonded Turntrans-63.1-26.5178.7-168.5171.8-0.600112.9R11R11-Q15 WeakPolarHBondContact O-CB 3.48Å; R11-Q15 PolarHBondContact O-N 3.44Å
16K67.4Low76Confident140 Ų14097.7 Ų97.761%0.60948%0.479SS*.THydrogen-bonded Turntrans-94.4-14.5178-62.4-175.8178.6-177.20113.7W14 D18 D19W14-K16 PolarHBondContact O-N 3.03Å; K16-D18 VanDerWaalsContact C-N 3.29Å; K16-D18 PolarHBondContact O-N 3.25Å; K16-D19 PolarHBondContact O-N 3.39Å
17T68.6Low76.6Confident28 Ų2897 Ų9717%0.17247%0.47CS..Hα-helixtrans-69-28.2-171.6-48.20000112.3R13 W14 D19 E20 L21R13-T17 PolarHBondContact O-OG1 3.26Å; R13-T17 VanDerWaalsContact O-OG1 3.09Å; W14-T17 WeakPolarHBondContact CA-OG1 3.36Å; W14-T17 HydrophobicContact CE3-CG2 3.86Å; W14-T17 HydrophobicContact CZ3-CG2 3.86Å; W14-T17 PolarHBondContact O-N 2.93Å; T17-D19 VanDerWaalsContact C-N 3.34Å; T17-D19 PolarHBondContact O-N 3.06Å; T17-E20 PolarHBondContact O-N 3.07Å; T17-L21 HydrophobicContact CG2-CD1 3.87Å; T17-L21 HydrophobicContact CG2-CG 3.92Å; T17-L21 WeakPolarHBondContact O-CB 3.26Å; T17-L21 WeakPolarHBondContact O-CG 3.42Å; T17-L21 PolarHBondContact O-N 3.46Å
18D65Low76.9Confident53 Ų5398.5 Ų98.528%0.28348%0.477SS..Hα-helixtrans-63.9-36.8176.9-96.138.7000113.8K16 E20 R35K16-D18 VanDerWaalsContact C-N 3.29Å; K16-D18 PolarHBondContact O-N 3.25Å; D18-E20 VanDerWaalsContact C-N 3.31Å; D18-R35 IonicContact OD1-CZ 3.33Å; D18-R35 IonicContact OD1-NH1 3.54Å; D18-R35 PolarHBondContact OD1-NH1 3.22Å; D18-R35 VanDerWaalsContact OD1-NH1 3.13Å; D18-R35 IonicContact OD1-NH2 2.7Å; D18-R35 PolarHBondContact OD1-NH2 3.41Å; D18-R35 IonicContact OD2-CZ 3.53Å; D18-R35 IonicContact OD2-NH1 3.54Å; D18-R35 PolarHBondContact OD2-NH1 2.79Å; D18-R35 IonicContact OD2-NH2 3.7Å
19D68.3Low77.3Confident152 Ų15297 Ų9781%0.81347%0.473SS*.Hα-helixtrans-75.1-26.4-179.8-65-34.6000111.6K16 T17K16-D19 PolarHBondContact O-N 3.39Å; T17-D19 VanDerWaalsContact C-N 3.34Å; T17-D19 PolarHBondContact O-N 3.06Å
20E71Confident78Confident155 Ų15594.8 Ų94.872%0.72445%0.452SS*.Hα-helixtrans-91.6-21.3-179.5-65.2176.8179.400113.1T17 D18T17-E20 PolarHBondContact O-N 3.07Å; D18-E20 VanDerWaalsContact C-N 3.31Å
21L74.9Confident78.6Confident35 Ų3592.6 Ų92.618%0.18344%0.443CS..SBendtrans-72.8130.2-179.5-82.9169000111.8T17 R23 F28T17-L21 HydrophobicContact CG2-CD1 3.87Å; T17-L21 HydrophobicContact CG2-CG 3.92Å; T17-L21 WeakPolarHBondContact O-CB 3.26Å; T17-L21 WeakPolarHBondContact O-CG 3.42Å; T17-L21 PolarHBondContact O-N 3.46Å; L21-R23 PolarHBondContact O-N 2.94Å; L21-F28 HydrophobicContact CB-CB 4.42Å; L21-F28 HydrophobicContact CB-CD2 3.98Å; L21-F28 HydrophobicContact CD1-CD2 4.43Å
22C75.2Confident79.1Confident79 Ų7993.1 Ų93.153%0.53445%0.448SS..  trans-62.6120.9170.3179.20000109.9H24 S25 F28C22-H24 PolarHBondContact O-N 3.46Å; C22-S25 VanDerWaalsContact O-CB 3.28Å; C22-S25 WeakPolarHBondContact O-CB 3.27Å; C22-S25 PolarHBondContact O-N 3.09Å; C22-S25 PolarHBondContact O-OG 3.33Å; C22-F28 WeakPolarHBondContact O-CB 3.37Å
23R74.9Confident79.8Confident199 Ų19991.1 Ų91.175%0.75144%0.436SS*.THydrogen-bonded Turntrans-57.5-20.3-178.2-66.5-177.7-179.5179.20.6114.3L21 F28L21-R23 PolarHBondContact O-N 2.94Å; R23-F28 HydrophobicContact CB-CE1 4.36Å; R23-F28 HydrophobicContact CG-CE1 4.48Å; R23-F28 HydrophobicContact CG-CZ 4.34Å; R23-F28 VanDerWaalsContact O-CD1 3.29Å; R23-F28 WeakPolarHBondContact O-CD1 3.33Å
24H75.3Confident80.6Confident170 Ų17082 Ų8279%0.78740%0.402SS*.THydrogen-bonded Turntrans-97.7-1.2178.3-52.8102.5000113.2C22C22-H24 PolarHBondContact O-N 3.46Å
25S85.8Confident81.5Confident33 Ų3382.9 Ų82.923%0.23141%0.405CS..SBendtrans-73.8144.8177.770.60000111.2C22 S27 F28 I29C22-S25 VanDerWaalsContact O-CB 3.28Å; C22-S25 WeakPolarHBondContact O-CB 3.27Å; C22-S25 PolarHBondContact O-N 3.09Å; C22-S25 PolarHBondContact O-OG 3.33Å; S25-S27 PolarHBondContact O-N 3.02Å; S25-F28 PolarHBondContact O-N 3.33Å; S25-F28 WeakPolarHBondContact OG-CB 3.5Å; S25-F28 PolarHBondContact OG-N 3.4Å; S25-I29 PolarHBondContact O-N 3.42Å
26M84.4Confident82.6Confident133 Ų13380.2 Ų80.266%0.65540%0.395SS*.Hα-helixtrans-56.6-40.5173.4-75-59.3-60.900111.5F28 I29 L30M26-F28 VanDerWaalsContact C-N 3.34Å; M26-F28 PolarHBondContact O-N 3.14Å; M26-I29 PolarHBondContact O-N 2.89Å; M26-I29 VanDerWaalsContact O-N 3.15Å; M26-I29 HydrophobicContact SD-CD1 4.37Å; M26-L30 WeakPolarHBondContact O-CG 3.45Å; M26-L30 PolarHBondContact O-N 2.74Å
27S86.9Confident84Confident44 Ų4474.3 Ų74.331%0.30837%0.37SS..Hα-helixtrans-57.8-44.3177.91750000112.4S25 I29 L30 H31S25-S27 PolarHBondContact O-N 3.02Å; S27-I29 VanDerWaalsContact C-N 3.33Å; S27-I29 PolarHBondContact O-N 3.1Å; S27-L30 PolarHBondContact O-N 3.47Å; S27-H31 WeakPolarHBondContact O-CB 3.47Å; S27-H31 PolarHBondContact O-CD2 2.77Å; S27-H31 PolarHBondContact O-N 3.06Å; S27-H31 PolarHBondContact OG-CD2 2.88Å; S27-H31 VanDerWaalsContact OG-CD2 3.25Å; S27-H31 PolarHBondContact OG-NE2 2.92Å
28F87.9Confident85.4Confident35 Ų3573 Ų7315%0.15436%0.362CS..Hα-helixtrans-59.3-43.8176.3179.4-97.2000112L21 C22 R23 S25 M26 L30 H31 K32L21-F28 HydrophobicContact CB-CB 4.42Å; L21-F28 HydrophobicContact CB-CD2 3.98Å; L21-F28 HydrophobicContact CD1-CD2 4.43Å; C22-F28 WeakPolarHBondContact O-CB 3.37Å; R23-F28 HydrophobicContact CB-CE1 4.36Å; R23-F28 HydrophobicContact CG-CE1 4.48Å; R23-F28 HydrophobicContact CG-CZ 4.34Å; R23-F28 VanDerWaalsContact O-CD1 3.29Å; R23-F28 WeakPolarHBondContact O-CD1 3.33Å; S25-F28 PolarHBondContact O-N 3.33Å; S25-F28 WeakPolarHBondContact OG-CB 3.5Å; S25-F28 PolarHBondContact OG-N 3.4Å; M26-F28 VanDerWaalsContact C-N 3.34Å; M26-F28 PolarHBondContact O-N 3.14Å; F28-L30 PolarHBondContact O-N 3.35Å; F28-H31 PolarHBondContact O-N 3.44Å; F28-K32 HydrophobicContact CE1-CD 4.04Å; F28-K32 HydrophobicContact CZ-CD 4.34Å; F28-K32 VanDerWaalsContact O-CB 3.25Å; F28-K32 WeakPolarHBondContact O-CB 3.27Å; F28-K32 PolarHBondContact O-N 2.93Å
29I89.5Confident86.8Confident82 Ų8273.5 Ų73.542%0.42136%0.362SS..Hα-helixtrans-61.3-46.7178.8-63.7169.8000110.7S25 M26 S27 K32 A33S25-I29 PolarHBondContact O-N 3.42Å; M26-I29 PolarHBondContact O-N 2.89Å; M26-I29 VanDerWaalsContact O-N 3.15Å; M26-I29 HydrophobicContact SD-CD1 4.37Å; S27-I29 VanDerWaalsContact C-N 3.33Å; S27-I29 PolarHBondContact O-N 3.1Å; I29-K32 PolarHBondContact O-N 2.78Å; I29-A33 PolarHBondContact O-N 2.93Å
30L93.9Very high88.2Confident18 Ų1868.5 Ų68.59%0.09433%0.334CS..Hα-helixtrans-63.6-47.4179.2-57.7-178.7000111.6M26 S27 F28 K32 A33 I34 L51 V52 Y55M26-L30 WeakPolarHBondContact O-CG 3.45Å; M26-L30 PolarHBondContact O-N 2.74Å; S27-L30 PolarHBondContact O-N 3.47Å; F28-L30 PolarHBondContact O-N 3.35Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3Å; L30-A33 PolarHBondContact O-N 2.81Å; L30-I34 WeakPolarHBondContact O-CG1 3.5Å; L30-I34 PolarHBondContact O-N 2.86Å; L30-I34 VanDerWaalsContact O-N 3.14Å; L30-L51 HydrophobicContact CB-CD1 3.99Å; L30-L51 HydrophobicContact CB-CD2 4.08Å; L30-L51 HydrophobicContact CB-CG 3.96Å; L30-L51 HydrophobicContact CD1-CD2 4.22Å; L30-L51 HydrophobicContact CD1-CG 4.14Å; L30-V52 HydrophobicContact CD1-CG2 3.99Å; L30-Y55 HydrophobicContact CB-CD2 4.35Å; L30-Y55 HydrophobicContact CB-CG 4.46Å; L30-Y55 HydrophobicContact CD2-CD1 3.55Å; L30-Y55 HydrophobicContact CD2-CD2 3.62Å; L30-Y55 HydrophobicContact CD2-CE1 3.81Å; L30-Y55 HydrophobicContact CD2-CE2 3.87Å; L30-Y55 HydrophobicContact CD2-CG 3.44Å; L30-Y55 VanDerWaalsContact CD2-CG 3.44Å; L30-Y55 HydrophobicContact CG-CG 4.42Å
31H93.1Very high89.4Confident5 Ų561.1 Ų61.12%0.02330%0.299CS..Hα-helixtrans-59.5-44.1177.5-77.4-62.6000112W14 S27 F28 R35 Y42 L51W14-H31 AromaticContact CH2-CE1 3.63Å; W14-H31 AromaticContact CH2-NE2 3.8Å; W14-H31 AromaticContact CZ3-CE1 3.36Å; W14-H31 WeakPolarHBondContact CZ3-CE1 3.5Å; W14-H31 AromaticContact CZ3-NE2 3.46Å; W14-H31 WeakPolarHBondContact CZ3-NE2 3.14Å; S27-H31 WeakPolarHBondContact O-CB 3.47Å; S27-H31 PolarHBondContact O-CD2 2.77Å; S27-H31 PolarHBondContact O-N 3.06Å; S27-H31 PolarHBondContact OG-CD2 2.88Å; S27-H31 VanDerWaalsContact OG-CD2 3.25Å; S27-H31 PolarHBondContact OG-NE2 2.92Å; F28-H31 PolarHBondContact O-N 3.44Å; H31-R35 VanDerWaalsContact O-CB 3.22Å; H31-R35 WeakPolarHBondContact O-CB 3.34Å; H31-R35 PolarHBondContact O-N 3.08Å; H31-Y42 PolarHBondContact CE1-OH 2.84Å; H31-Y42 AromaticContact ND1-CE2 3.99Å; H31-Y42 AromaticContact ND1-CZ 3.73Å; H31-Y42 PolarHBondContact ND1-OH 3.48Å; H31-L51 WeakPolarHBondContact ND1-CD1 3.35Å; H31-L51 VanDerWaalsContact NE2-CD2 3.33Å; H31-L51 WeakPolarHBondContact NE2-CD2 3.35Å
32K92.1Very high90.4Very high137 Ų13759.7 Ų59.760%0.59629%0.291SS*.Hα-helixtrans-63.7-42.5179.9-174.6177.7179-1770111.9F28 I29 L30 N36F28-K32 HydrophobicContact CE1-CD 4.04Å; F28-K32 HydrophobicContact CZ-CD 4.34Å; F28-K32 VanDerWaalsContact O-CB 3.25Å; F28-K32 WeakPolarHBondContact O-CB 3.27Å; F28-K32 PolarHBondContact O-N 2.93Å; I29-K32 PolarHBondContact O-N 2.78Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3Å; K32-N36 WeakPolarHBondContact O-CB 3.24Å; K32-N36 PolarHBondContact O-N 3.05Å
33A93.9Very high91.2Very high27 Ų2757.4 Ų57.422%0.22327%0.274CS..Hα-helixtrans-61.8-54.2178.100000111.5I29 L30 R35 N36 D37 Y55I29-A33 PolarHBondContact O-N 2.93Å; L30-A33 PolarHBondContact O-N 2.81Å; A33-R35 VanDerWaalsContact C-N 3.31Å; A33-R35 PolarHBondContact O-N 3.21Å; A33-N36 WeakPolarHBondContact O-CB 3.07Å; A33-N36 PolarHBondContact O-N 2.95Å; A33-N36 VanDerWaalsContact O-N 3.12Å; A33-D37 PolarHBondContact O-N 2.9Å; A33-Y55 HydrophobicContact CB-CD2 4.05Å; A33-Y55 HydrophobicContact CB-CE2 3.74Å
34I96.1Very high92.2Very high0 Ų049.9 Ų49.90%025%0.246CC..Hα-helixtrans-63.4-40.4-178.3-53.9162.6000110.6L30 N36 D37 F38 Y42 L51 L54 Y55L30-I34 WeakPolarHBondContact O-CG1 3.5Å; L30-I34 PolarHBondContact O-N 2.86Å; L30-I34 VanDerWaalsContact O-N 3.14Å; I34-N36 VanDerWaalsContact C-N 3.3Å; I34-N36 PolarHBondContact O-N 2.71Å; I34-D37 PolarHBondContact O-N 2.82Å; I34-F38 HydrophobicContact CG2-CB 4.46Å; I34-F38 HydrophobicContact CG2-CD2 4.43Å; I34-F38 WeakPolarHBondContact O-CA 3.49Å; I34-F38 WeakPolarHBondContact O-CB 3.48Å; I34-F38 PolarHBondContact O-N 2.93Å; I34-Y42 HydrophobicContact CB-CD2 4.01Å; I34-Y42 HydrophobicContact CB-CE2 4.32Å; I34-Y42 HydrophobicContact CG2-CD2 3.68Å; I34-Y42 HydrophobicContact CG2-CE2 4.36Å; I34-L51 HydrophobicContact CD1-CD1 3.68Å; I34-L54 HydrophobicContact CD1-CB 4.11Å; I34-L54 HydrophobicContact CD1-CD2 4Å; I34-L54 HydrophobicContact CD1-CG 3.91Å; I34-L54 HydrophobicContact CG2-CD2 3.95Å; I34-L54 HydrophobicContact CG2-CG 4.17Å; I34-Y55 HydrophobicContact CG1-CD2 4.37Å
35R94.8Very high93.1Very high72 Ų7241.9 Ų41.927%0.27221%0.209SC..Hα-helixtrans-66.1-33.6178.2-169.4-178.5-56.3164.411.7112.4D18 H31 A33 D37 F39 Y42D18-R35 IonicContact OD1-CZ 3.33Å; D18-R35 IonicContact OD1-NH1 3.54Å; D18-R35 PolarHBondContact OD1-NH1 3.22Å; D18-R35 VanDerWaalsContact OD1-NH1 3.13Å; D18-R35 IonicContact OD1-NH2 2.7Å; D18-R35 PolarHBondContact OD1-NH2 3.41Å; D18-R35 IonicContact OD2-CZ 3.53Å; D18-R35 IonicContact OD2-NH1 3.54Å; D18-R35 PolarHBondContact OD2-NH1 2.79Å; D18-R35 IonicContact OD2-NH2 3.7Å; H31-R35 VanDerWaalsContact O-CB 3.22Å; H31-R35 WeakPolarHBondContact O-CB 3.34Å; H31-R35 PolarHBondContact O-N 3.08Å; A33-R35 VanDerWaalsContact C-N 3.31Å; A33-R35 PolarHBondContact O-N 3.21Å; R35-D37 VanDerWaalsContact C-N 3.32Å; R35-F39 WeakPolarHBondContact O-CA 3.3Å; R35-F39 WeakPolarHBondContact O-CB 3.46Å; R35-F39 PolarHBondContact O-N 2.66Å; R35-F39 VanDerWaalsContact O-N 3.11Å; R35-Y42 HydrophobicContact CB-CD1 4.23Å; R35-Y42 HydrophobicContact CB-CD2 4.42Å; R35-Y42 HydrophobicContact CB-CG 4.18Å; R35-Y42 HydrophobicContact CG-CD1 4.1Å; R35-Y42 HydrophobicContact CG-CG 4.38Å
36N95.4Very high93.5Very high88 Ų8841.2 Ų41.247%0.47120%0.202SC..Hα-helixtrans-63.4-41.5175.7177.177.2000111.4K32 A33 I34K32-N36 WeakPolarHBondContact O-CB 3.24Å; K32-N36 PolarHBondContact O-N 3.05Å; A33-N36 WeakPolarHBondContact O-CB 3.07Å; A33-N36 PolarHBondContact O-N 2.95Å; A33-N36 VanDerWaalsContact O-N 3.12Å; I34-N36 VanDerWaalsContact C-N 3.3Å; I34-N36 PolarHBondContact O-N 2.71Å
37D97Very high93.9Very high15 Ų1537.9 Ų37.98%0.0819%0.185CC..Hα-helixtrans-84.5-37.5-175.4-56.4-25.2000112A33 I34 R35 S59 T197 D198 K199A33-D37 PolarHBondContact O-N 2.9Å; I34-D37 PolarHBondContact O-N 2.82Å; R35-D37 VanDerWaalsContact C-N 3.32Å; D37-S59 PolarHBondContact OD2-OG 3.41Å; D37-T197 HydrophobicContact CB-CG2 4.15Å; D37-T197 WeakPolarHBondContact O-CB 3.41Å; D37-D198 WeakPolarHBondContact O-CA 3.36Å; D37-D198 WeakPolarHBondContact O-CB 3.41Å; D37-D198 PolarHBondContact O-N 3.3Å; D37-K199 PolarHBondContact O-N 3.47Å
38F97.4Very high94.1Very high0 Ų043.3 Ų43.30%020%0.203CC..SBendtrans-120.141.6-173.1-68.7-88.1000112.5I34 Q40 S41 Y42 L45 T58 F68 T197 D198 V238I34-F38 HydrophobicContact CG2-CB 4.46Å; I34-F38 HydrophobicContact CG2-CD2 4.43Å; I34-F38 WeakPolarHBondContact O-CA 3.49Å; I34-F38 WeakPolarHBondContact O-CB 3.48Å; I34-F38 PolarHBondContact O-N 2.93Å; F38-Q40 VanDerWaalsContact C-N 3.25Å; F38-Q40 PolarHBondContact O-N 3Å; F38-S41 CarbonylContact O-C 3.57Å; F38-S41 PolarHBondContact O-N 2.69Å; F38-Y42 VanDerWaalsContact O-CA 3.29Å; F38-Y42 WeakPolarHBondContact O-CA 3.42Å; F38-Y42 WeakPolarHBondContact O-CB 3.44Å; F38-Y42 PolarHBondContact O-N 2.75Å; F38-L45 HydrophobicContact CB-CD1 4.14Å; F38-L45 HydrophobicContact CD1-CD1 3.84Å; F38-L45 HydrophobicContact CE1-CD1 4.46Å; F38-L45 HydrophobicContact CG-CD1 4Å; F38-T58 HydrophobicContact CE2-CG2 4.21Å; F38-T58 HydrophobicContact CZ-CG2 4.41Å; F38-F68 HydrophobicContact CE1-CZ 4.4Å; F38-F68 HydrophobicContact CZ-CD1 4.11Å; F38-F68 HydrophobicContact CZ-CD2 4.29Å; F38-F68 HydrophobicContact CZ-CE1 4.06Å; F38-F68 HydrophobicContact CZ-CE2 4.26Å; F38-F68 HydrophobicContact CZ-CG 4.22Å; F38-F68 HydrophobicContact CZ-CZ 4.14Å; F38-T197 HydrophobicContact CE1-CG2 4.45Å; F38-T197 HydrophobicContact CE2-CG2 3.72Å; F38-T197 HydrophobicContact CZ-CG2 3.68Å; F38-D198 WeakPolarHBondContact CA-OD2 3.48Å; F38-V238 HydrophobicContact CE1-CG1 4.08Å; F38-V238 HydrophobicContact CE1-CG2 4.35Å
39F96Very high94.3Very high64 Ų6442.8 Ų42.828%0.28120%0.202SC..THydrogen-bonded Turntrans-55-28.7-169.458.5-90.1000116.3R35 D198 L202 L248 K251R35-F39 WeakPolarHBondContact O-CA 3.3Å; R35-F39 WeakPolarHBondContact O-CB 3.46Å; R35-F39 PolarHBondContact O-N 2.66Å; R35-F39 VanDerWaalsContact O-N 3.11Å; F39-D198 HydrophobicContact CD1-CB 3.94Å; F39-D198 HydrophobicContact CE1-CB 3.71Å; F39-D198 HydrophobicContact CZ-CB 4.13Å; F39-D198 PolarHBondContact N-OD2 3.04Å; F39-L202 HydrophobicContact CE1-CD1 4.38Å; F39-L202 HydrophobicContact CZ-CD1 3.67Å; F39-L248 HydrophobicContact CE1-CD2 4.28Å; F39-L248 HydrophobicContact CE2-CD2 3.68Å; F39-L248 HydrophobicContact CZ-CD2 3.35Å; F39-K251 HydrophobicContact CE2-CD 3.9Å; F39-K251 HydrophobicContact CZ-CD 4.49Å
40Q96.1Very high94.6Very high47 Ų4743.3 Ų43.322%0.2221%0.21CC..THydrogen-bonded Turntrans-88.5-37.1174.1-61.6-65.3400112.2F38 D198 I244 S247 L248 K251F38-Q40 VanDerWaalsContact C-N 3.25Å; F38-Q40 PolarHBondContact O-N 3Å; Q40-D198 WeakPolarHBondContact CA-OD2 3.33Å; Q40-D198 WeakPolarHBondContact CB-OD2 3.34Å; Q40-D198 PolarHBondContact N-OD2 3.26Å; Q40-I244 HydrophobicContact CB-CB 4.41Å; Q40-I244 HydrophobicContact CB-CG1 4.25Å; Q40-I244 HydrophobicContact CB-CG2 3.67Å; Q40-I244 HydrophobicContact CG-CG2 4.41Å; Q40-S247 PolarHBondContact NE2-OG 3.36Å; Q40-L248 HydrophobicContact CG-CD2 3.7Å; Q40-L248 HydrophobicContact CG-CG 4.16Å; Q40-K251 VanDerWaalsContact NE2-CE 3.29Å
41S96.9Very high94.6Very high0 Ų043.8 Ų43.80%021%0.213CC..THydrogen-bonded Turntrans-84.6-18.9-173.4-62.20000113F38 L43 Y44 L45 D198 C229F38-S41 CarbonylContact O-C 3.57Å; F38-S41 PolarHBondContact O-N 2.69Å; S41-L43 PolarHBondContact O-N 3.07Å; S41-Y44 WeakPolarHBondContact O-CB 3.34Å; S41-Y44 PolarHBondContact O-N 3.12Å; S41-Y44 VanDerWaalsContact O-N 3.15Å; S41-L45 WeakPolarHBondContact O-CG 3.31Å; S41-L45 PolarHBondContact O-N 2.78Å; S41-D198 VanDerWaalsContact CB-OD2 3.32Å; S41-D198 WeakPolarHBondContact CB-OD2 3.25Å; S41-D198 PolarHBondContact N-OD2 2.83Å; S41-D198 PolarHBondContact OG-OD1 3.4Å; S41-D198 PolarHBondContact OG-OD2 3.36Å; S41-D198 VanDerWaalsContact OG-OD2 3.06Å; S41-C229 WeakPolarHBondContact CB-SG 3.33Å; S41-C229 PolarHBondContact OG-SG 3.19Å
42Y94.9Very high94.7Very high5 Ų548.4 Ų48.42%0.0224%0.241CC..Hα-helixtrans-56.7-49-163.6156.6-108.3000113.5H31 I34 R35 F38 L45 L46H31-Y42 PolarHBondContact CE1-OH 2.84Å; H31-Y42 AromaticContact ND1-CE2 3.99Å; H31-Y42 AromaticContact ND1-CZ 3.73Å; H31-Y42 PolarHBondContact ND1-OH 3.48Å; I34-Y42 HydrophobicContact CB-CD2 4.01Å; I34-Y42 HydrophobicContact CB-CE2 4.32Å; I34-Y42 HydrophobicContact CG2-CD2 3.68Å; I34-Y42 HydrophobicContact CG2-CE2 4.36Å; R35-Y42 HydrophobicContact CB-CD1 4.23Å; R35-Y42 HydrophobicContact CB-CD2 4.42Å; R35-Y42 HydrophobicContact CB-CG 4.18Å; R35-Y42 HydrophobicContact CG-CD1 4.1Å; R35-Y42 HydrophobicContact CG-CG 4.38Å; F38-Y42 VanDerWaalsContact O-CA 3.29Å; F38-Y42 WeakPolarHBondContact O-CA 3.42Å; F38-Y42 WeakPolarHBondContact O-CB 3.44Å; F38-Y42 PolarHBondContact O-N 2.75Å; Y42-L45 PolarHBondContact O-N 2.66Å; Y42-L46 HydrophobicContact CE2-CB 4.47Å; Y42-L46 HydrophobicContact CE2-CD2 4.13Å; Y42-L46 WeakPolarHBondContact O-CB 3.34Å; Y42-L46 PolarHBondContact O-N 2.71Å; Y42-L46 WeakPolarHBondContact OH-CD2 3.35Å
43L93.4Very high94.9Very high32 Ų3247.3 Ų47.317%0.16824%0.237CC..Hα-helixtrans-67.4-39.1-178.2-71.3175.8000111.5F10 R11 W14 S41 L46 E47F10-L43 HydrophobicContact CD1-CD2 4.45Å; F10-L43 HydrophobicContact CE1-CB 4.46Å; F10-L43 HydrophobicContact CE1-CD2 4.04Å; R11-L43 HydrophobicContact CB-CD1 3.84Å; R11-L43 HydrophobicContact CG-CD1 3.57Å; W14-L43 HydrophobicContact CB-CD2 3.86Å; W14-L43 HydrophobicContact CG-CD2 4.17Å; S41-L43 PolarHBondContact O-N 3.07Å; L43-L46 PolarHBondContact O-N 2.83Å; L43-E47 WeakPolarHBondContact O-CG 3.25Å; L43-E47 PolarHBondContact O-N 3.04Å
44Y95.4Very high95Very high40 Ų4046 Ų4616%0.15723%0.226CC..Hα-helixtrans-64.4-41.6176.4-65.7-72.9000112.1H7 S41 E47 G228 I244H7-Y44 AromaticContact CD2-CE1 3.63Å; H7-Y44 AromaticContact CD2-CZ 3.72Å; H7-Y44 AromaticContact CE1-CD1 3.46Å; H7-Y44 VanDerWaalsContact CE1-CD1 3.46Å; H7-Y44 WeakPolarHBondContact CE1-CD1 3.28Å; H7-Y44 AromaticContact CE1-CE1 3.26Å; H7-Y44 WeakPolarHBondContact CE1-CE1 3.49Å; H7-Y44 AromaticContact CE1-CE2 3.9Å; H7-Y44 AromaticContact CE1-CG 3.89Å; H7-Y44 AromaticContact CE1-CZ 3.51Å; H7-Y44 AromaticContact CG-CE1 3.59Å; H7-Y44 AromaticContact ND1-CD1 3.51Å; H7-Y44 AromaticContact ND1-CE1 3.34Å; H7-Y44 VanDerWaalsContact ND1-CE1 3.34Å; H7-Y44 WeakPolarHBondContact ND1-CE1 3.27Å; H7-Y44 AromaticContact NE2-CE1 3.48Å; H7-Y44 WeakPolarHBondContact NE2-CE1 3.44Å; H7-Y44 AromaticContact NE2-CE2 3.84Å; H7-Y44 AromaticContact NE2-CZ 3.32Å; H7-Y44 VanDerWaalsContact NE2-CZ 3.32Å; S41-Y44 WeakPolarHBondContact O-CB 3.34Å; S41-Y44 PolarHBondContact O-N 3.12Å; S41-Y44 VanDerWaalsContact O-N 3.15Å; Y44-E47 PolarHBondContact O-N 3.39Å; Y44-G228 VanDerWaalsContact CE1-CA 3.49Å; Y44-G228 VanDerWaalsContact CG-CA 3.4Å; Y44-I244 HydrophobicContact CD2-CD1 3.76Å; Y44-I244 HydrophobicContact CE2-CD1 3.82Å; Y44-I244 HydrophobicContact CE2-CG1 4.3Å
45L94.9Very high95.1Very high2 Ų249 Ų491%0.0124%0.237CC..Hα-helixtrans-64.5-42.9175.8-67.2172.5000111.3F38 S41 Y42 E47 K48 I49 L54 C229 L231 V238F38-L45 HydrophobicContact CB-CD1 4.14Å; F38-L45 HydrophobicContact CD1-CD1 3.84Å; F38-L45 HydrophobicContact CE1-CD1 4.46Å; F38-L45 HydrophobicContact CG-CD1 4Å; S41-L45 WeakPolarHBondContact O-CG 3.31Å; S41-L45 PolarHBondContact O-N 2.78Å; Y42-L45 PolarHBondContact O-N 2.66Å; L45-E47 VanDerWaalsContact C-N 3.31Å; L45-E47 PolarHBondContact O-N 2.96Å; L45-K48 PolarHBondContact O-N 2.96Å; L45-K48 VanDerWaalsContact O-N 3.15Å; L45-I49 PolarHBondContact O-N 3Å; L45-L54 HydrophobicContact CB-CD1 3.85Å; L45-L54 HydrophobicContact CB-CD2 3.73Å; L45-L54 HydrophobicContact CB-CG 4.47Å; L45-L54 HydrophobicContact CD1-CD1 4.44Å; L45-C229 HydrophobicContact CD2-CB 4.37Å; L45-C229 HydrophobicContact CG-CB 4.33Å; L45-L231 HydrophobicContact CD2-CB 3.88Å; L45-V238 HydrophobicContact CD2-CG1 4.49Å
46L93.6Very high95.1Very high19 Ų1946.9 Ų46.910%0.09924%0.236CC..Hα-helixtrans-67.4-28.8-179.7-172.567.5000113.1F10 W14 Y42 L43 K48 L51 L54F10-L46 HydrophobicContact CZ-CD2 4.28Å; F10-L46 HydrophobicContact CZ-CG 4.31Å; W14-L46 HydrophobicContact CD2-CD2 4.37Å; W14-L46 HydrophobicContact CH2-CD2 4.18Å; W14-L46 HydrophobicContact CZ2-CD2 4.01Å; W14-L46 HydrophobicContact CZ3-CD2 4.43Å; Y42-L46 HydrophobicContact CE2-CB 4.47Å; Y42-L46 HydrophobicContact CE2-CD2 4.13Å; Y42-L46 WeakPolarHBondContact O-CB 3.34Å; Y42-L46 PolarHBondContact O-N 2.71Å; Y42-L46 WeakPolarHBondContact OH-CD2 3.35Å; L43-L46 PolarHBondContact O-N 2.83Å; L46-K48 PolarHBondContact O-N 3.43Å; L46-L51 HydrophobicContact CD1-CB 4Å; L46-L51 HydrophobicContact CD1-CD1 4.08Å; L46-L54 HydrophobicContact CB-CD2 4.3Å; L46-L54 HydrophobicContact CD1-CD2 4.42Å
47E92.1Very high95.1Very high63 Ų6343.3 Ų43.329%0.29422%0.217SC..Hα-helixtrans-64.3-26.9173.6-78.6175.8-170.400113.1H7 F10 L43 Y44 L45H7-E47 IonicContact CE1-OE1 2.83Å; H7-E47 IonicContact CG-OE1 3.21Å; H7-E47 IonicContact ND1-OE1 2.66Å; H7-E47 PolarHBondContact ND1-OE1 2.87Å; H7-E47 IonicContact ND1-OE2 2.69Å; F10-E47 HydrophobicContact CD1-CG 3.5Å; F10-E47 VanDerWaalsContact CD1-CG 3.5Å; F10-E47 WeakPolarHBondContact CD1-OE1 3.47Å; F10-E47 HydrophobicContact CD2-CG 4.04Å; F10-E47 HydrophobicContact CE1-CG 3.41Å; F10-E47 VanDerWaalsContact CE1-CG 3.41Å; F10-E47 HydrophobicContact CE2-CG 3.94Å; F10-E47 HydrophobicContact CG-CG 3.82Å; F10-E47 WeakPolarHBondContact CG-OE1 3.48Å; F10-E47 HydrophobicContact CZ-CG 3.61Å; L43-E47 WeakPolarHBondContact O-CG 3.25Å; L43-E47 PolarHBondContact O-N 3.04Å; Y44-E47 PolarHBondContact O-N 3.39Å; L45-E47 VanDerWaalsContact C-N 3.31Å; L45-E47 PolarHBondContact O-N 2.96Å
48K90.8Very high95Very high159 Ų15942.6 Ų42.669%0.69121%0.213SC*.Hα-helixtrans-104.7-26.9-174.4-56.4-58.1-178.2-1770112.9L45 L46L45-K48 PolarHBondContact O-N 2.96Å; L45-K48 VanDerWaalsContact O-N 3.15Å; L46-K48 PolarHBondContact O-N 3.43Å
49I93.7Very high94.8Very high24 Ų2443 Ų4312%0.12322%0.216CC..SBendtrans-127.9127.2-171.2-54.2-179.8000109.7L45 L51 K53 L54 L57 L231L45-I49 PolarHBondContact O-N 3Å; I49-L51 PolarHBondContact O-N 3.14Å; I49-K53 HydrophobicContact CG2-CB 3.97Å; I49-K53 HydrophobicContact CG2-CD 4.21Å; I49-K53 HydrophobicContact CG2-CG 3.96Å; I49-L54 HydrophobicContact CB-CB 4.15Å; I49-L54 HydrophobicContact CB-CD1 4.23Å; I49-L54 HydrophobicContact CD1-CD1 4.09Å; I49-L54 HydrophobicContact CG2-CB 3.8Å; I49-L54 HydrophobicContact CG2-CD1 4.36Å; I49-L57 HydrophobicContact CG2-CD1 4.45Å; I49-L231 HydrophobicContact CD1-CB 4.09Å; I49-L231 HydrophobicContact CD1-CD2 3.63Å; I49-L231 HydrophobicContact CD1-CG 4.46Å
50P95.2Very high94.8Very high92 Ų9243.2 Ų43.260%0.59722%0.218SC*.  trans-55.5139.4175.6-25.434000112.1V52 K53 L54P50-V52 VanDerWaalsContact C-N 3.33Å; P50-V52 PolarHBondContact O-N 3.14Å; P50-V52 VanDerWaalsContact O-N 3.12Å; P50-K53 WeakPolarHBondContact O-CA 3.26Å; P50-K53 WeakPolarHBondContact O-CB 3.39Å; P50-K53 PolarHBondContact O-N 3.14Å; P50-L54 PolarHBondContact O-N 2.93Å
51L94.3Very high94.7Very high28 Ų2845 Ų4515%0.14723%0.231CC..Hα-helixtrans-43.9-51.5-173.8177.662.8000114.4L30 H31 I34 L46 I49 K53 L54 Y55L30-L51 HydrophobicContact CB-CD1 3.99Å; L30-L51 HydrophobicContact CB-CD2 4.08Å; L30-L51 HydrophobicContact CB-CG 3.96Å; L30-L51 HydrophobicContact CD1-CD2 4.22Å; L30-L51 HydrophobicContact CD1-CG 4.14Å; H31-L51 WeakPolarHBondContact ND1-CD1 3.35Å; H31-L51 VanDerWaalsContact NE2-CD2 3.33Å; H31-L51 WeakPolarHBondContact NE2-CD2 3.35Å; I34-L51 HydrophobicContact CD1-CD1 3.68Å; L46-L51 HydrophobicContact CD1-CB 4Å; L46-L51 HydrophobicContact CD1-CD1 4.08Å; I49-L51 PolarHBondContact O-N 3.14Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.11Å; L51-L54 PolarHBondContact O-N 3.37Å; L51-Y55 WeakPolarHBondContact O-CB 3.35Å; L51-Y55 PolarHBondContact O-N 2.92Å
52V95.7Very high94.4Very high102 Ų10248.3 Ų48.362%0.61825%0.248SC*.Hα-helixtrans-64.8-40.5-176.7-179.20000111.1L30 P50 A56L30-V52 HydrophobicContact CD1-CG2 3.99Å; P50-V52 VanDerWaalsContact C-N 3.33Å; P50-V52 PolarHBondContact O-N 3.14Å; P50-V52 VanDerWaalsContact O-N 3.12Å; V52-A56 WeakPolarHBondContact O-CB 3.39Å; V52-A56 PolarHBondContact O-N 3.38Å; V52-A56 VanDerWaalsContact O-N 3.08Å
53K95.6Very high94.3Very high115 Ų11556.1 Ų56.150%0.529%0.29SS..Hα-helixtrans-68.8-42.8176.7-175.2175.6179.6-178.60110.6I49 P50 L51 A56 L57I49-K53 HydrophobicContact CG2-CB 3.97Å; I49-K53 HydrophobicContact CG2-CD 4.21Å; I49-K53 HydrophobicContact CG2-CG 3.96Å; P50-K53 WeakPolarHBondContact O-CA 3.26Å; P50-K53 WeakPolarHBondContact O-CB 3.39Å; P50-K53 PolarHBondContact O-N 3.14Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.11Å; K53-A56 PolarHBondContact O-N 3.23Å; K53-L57 HydrophobicContact CG-CD1 3.82Å; K53-L57 HydrophobicContact CG-CG 4.42Å; K53-L57 WeakPolarHBondContact O-CD1 3.42Å; K53-L57 WeakPolarHBondContact O-CG 3.17Å; K53-L57 PolarHBondContact O-N 3.01Å
54L96.5Very high94.2Very high0 Ų058.1 Ų58.10%032%0.319CS..Hα-helixtrans-59.8-49.9177.7-175.261000110.3I34 L45 L46 I49 P50 L51 A56 L57 T58I34-L54 HydrophobicContact CD1-CB 4.11Å; I34-L54 HydrophobicContact CD1-CD2 4Å; I34-L54 HydrophobicContact CD1-CG 3.91Å; I34-L54 HydrophobicContact CG2-CD2 3.95Å; I34-L54 HydrophobicContact CG2-CG 4.17Å; L45-L54 HydrophobicContact CB-CD1 3.85Å; L45-L54 HydrophobicContact CB-CD2 3.73Å; L45-L54 HydrophobicContact CB-CG 4.47Å; L45-L54 HydrophobicContact CD1-CD1 4.44Å; L46-L54 HydrophobicContact CB-CD2 4.3Å; L46-L54 HydrophobicContact CD1-CD2 4.42Å; I49-L54 HydrophobicContact CB-CB 4.15Å; I49-L54 HydrophobicContact CB-CD1 4.23Å; I49-L54 HydrophobicContact CD1-CD1 4.09Å; I49-L54 HydrophobicContact CG2-CB 3.8Å; I49-L54 HydrophobicContact CG2-CD1 4.36Å; P50-L54 PolarHBondContact O-N 2.93Å; L51-L54 PolarHBondContact O-N 3.37Å; L54-A56 PolarHBondContact O-N 2.94Å; L54-L57 PolarHBondContact O-N 3.41Å; L54-L57 VanDerWaalsContact O-N 3.1Å; L54-T58 HydrophobicContact CD1-CG2 3.6Å; L54-T58 HydrophobicContact CG-CG2 4.35Å; L54-T58 WeakPolarHBondContact O-CB 3.34Å; L54-T58 WeakPolarHBondContact O-CG2 3.46Å; L54-T58 PolarHBondContact O-N 3.44Å; L54-T58 PolarHBondContact O-OG1 3.4Å
55Y96.8Very high94Very high61 Ų6160 Ų6024%0.23933%0.329CS..Hα-helixtrans-54.4-49175.3175.5-96.6000112.6L30 A33 I34 L51 L57 T58 S59 Q60L30-Y55 HydrophobicContact CB-CD2 4.35Å; L30-Y55 HydrophobicContact CB-CG 4.46Å; L30-Y55 HydrophobicContact CD2-CD1 3.55Å; L30-Y55 HydrophobicContact CD2-CD2 3.62Å; L30-Y55 HydrophobicContact CD2-CE1 3.81Å; L30-Y55 HydrophobicContact CD2-CE2 3.87Å; L30-Y55 HydrophobicContact CD2-CG 3.44Å; L30-Y55 VanDerWaalsContact CD2-CG 3.44Å; L30-Y55 HydrophobicContact CG-CG 4.42Å; A33-Y55 HydrophobicContact CB-CD2 4.05Å; A33-Y55 HydrophobicContact CB-CE2 3.74Å; I34-Y55 HydrophobicContact CG1-CD2 4.37Å; L51-Y55 WeakPolarHBondContact O-CB 3.35Å; L51-Y55 PolarHBondContact O-N 2.92Å; Y55-L57 PolarHBondContact O-N 3.22Å; Y55-T58 PolarHBondContact O-N 2.97Å; Y55-S59 CarbonylContact O-C 3.54Å; Y55-S59 PolarHBondContact O-N 3.42Å; Y55-Q60 HydrophobicContact CD1-CB 4.14Å; Y55-Q60 HydrophobicContact CE1-CB 3.81Å; Y55-Q60 HydrophobicContact CE1-CG 4.19Å; Y55-Q60 PolarHBondContact O-N 2.8Å
56A95.7Very high94Very high29 Ų2961.5 Ų61.524%0.2434%0.336CS..Hα-helixtrans-59.2-34.5-179.800000112.6V52 K53 L54 Q67V52-A56 WeakPolarHBondContact O-CB 3.39Å; V52-A56 PolarHBondContact O-N 3.38Å; V52-A56 VanDerWaalsContact O-N 3.08Å; K53-A56 PolarHBondContact O-N 3.23Å; L54-A56 PolarHBondContact O-N 2.94Å; A56-Q67 WeakPolarHBondContact O-CB 3.38Å
57L94.6Very high94.2Very high13 Ų1362.2 Ų62.27%0.06834%0.339CS..Hα-helixtrans-82.1-35.7-179.9-66.1168.3000112.9I49 K53 L54 Y55 F68 L231 L233I49-L57 HydrophobicContact CG2-CD1 4.45Å; K53-L57 HydrophobicContact CG-CD1 3.82Å; K53-L57 HydrophobicContact CG-CG 4.42Å; K53-L57 WeakPolarHBondContact O-CD1 3.42Å; K53-L57 WeakPolarHBondContact O-CG 3.17Å; K53-L57 PolarHBondContact O-N 3.01Å; L54-L57 PolarHBondContact O-N 3.41Å; L54-L57 VanDerWaalsContact O-N 3.1Å; Y55-L57 PolarHBondContact O-N 3.22Å; L57-F68 WeakPolarHBondContact O-CA 3.31Å; L57-F68 PolarHBondContact O-N 3.38Å; L57-L231 HydrophobicContact CB-CD2 4.26Å; L57-L231 HydrophobicContact CD1-CD2 4.07Å; L57-L233 HydrophobicContact CD1-CD2 3.51Å; L57-L233 HydrophobicContact CD2-CD2 4.09Å; L57-L233 HydrophobicContact CG-CD2 4.36Å
58T95.1Very high94.5Very high0 Ų059.2 Ų59.20%033%0.325CS..Hα-helixtrans-110.8-26.1-165.266.30000115.1F38 L54 Y55 M66 L231F38-T58 HydrophobicContact CE2-CG2 4.21Å; F38-T58 HydrophobicContact CZ-CG2 4.41Å; L54-T58 HydrophobicContact CD1-CG2 3.6Å; L54-T58 HydrophobicContact CG-CG2 4.35Å; L54-T58 WeakPolarHBondContact O-CB 3.34Å; L54-T58 WeakPolarHBondContact O-CG2 3.46Å; L54-T58 PolarHBondContact O-N 3.44Å; L54-T58 PolarHBondContact O-OG1 3.4Å; Y55-T58 PolarHBondContact O-N 2.97Å; T58-M66 WeakPolarHBondContact O-CG 3.46Å; T58-L231 HydrophobicContact CG2-CD2 4.21Å
59S94.5Very high94.9Very high8 Ų852.8 Ų52.86%0.05630%0.297CS..THydrogen-bonded Turntrans-138.5-12-167.8-63.20000114.1D37 Y55 V61D37-S59 PolarHBondContact OD2-OG 3.41Å; Y55-S59 CarbonylContact O-C 3.54Å; Y55-S59 PolarHBondContact O-N 3.42Å; S59-V61 PolarHBondContact O-N 3.22Å
60Q94.8Very high95.1Very high69 Ų6952.3 Ų52.332%0.32230%0.296SS..  trans-64.7131.2174.1-176176.821.300109.8Y55 I62 M66 Q67Y55-Q60 HydrophobicContact CD1-CB 4.14Å; Y55-Q60 HydrophobicContact CE1-CB 3.81Å; Y55-Q60 HydrophobicContact CE1-CG 4.19Å; Y55-Q60 PolarHBondContact O-N 2.8Å; Q60-I62 HydrophobicContact CG-CD1 4.43Å; Q60-I62 HydrophobicContact CG-CG1 4.1Å; Q60-M66 WeakPolarHBondContact O-CA 3.33Å; Q60-Q67 HydrophobicContact CB-CG 4.17Å; Q60-Q67 HydrophobicContact CG-CG 4.47Å; Q60-Q67 WeakPolarHBondContact O-CG 3.22Å; Q60-Q67 PolarHBondContact O-N 3.17Å
61V95.1Very high95.2Very high83 Ų8352.5 Ų52.550%0.50329%0.285SS..EExtended strand (participates in β ladder)trans-104.6125.5175.6-179.60000108.7S59 G64 E65 M66S59-V61 PolarHBondContact O-N 3.22Å; V61-G64 VanDerWaalsContact CG1-C 3.46Å; V61-E65 CarbonylContact C-O 3.39Å; V61-E65 WeakPolarHBondContact CA-O 3.47Å; V61-M66 HydrophobicContact CG2-CB 4.4Å
62I90.1Very high95.4Very high70 Ų7051.3 Ų51.336%0.35928%0.279SS..EExtended strand (participates in β ladder)trans-126.3128.4176.1-61.6179.2000107Q60 G64 E65 Q67Q60-I62 HydrophobicContact CG-CD1 4.43Å; Q60-I62 HydrophobicContact CG-CG1 4.1Å; I62-G64 PolarHBondContact O-N 3.34Å; I62-E65 PolarHBondContact N-O 3.25Å; I62-E65 PolarHBondContact O-N 3.03Å; I62-Q67 HydrophobicContact CD1-CG 4.11Å; I62-Q67 HydrophobicContact CG1-CG 4.33Å
63N91.7Very high95.5Very high169 Ų16950.2 Ų50.290%0.90427%0.266SS*.THydrogen-bonded Turntrans52.836-177.2-58.4-27.5000113.9E65N63-E65 VanDerWaalsContact C-N 3.27Å; N63-E65 PolarHBondContact O-N 3.38Å
64G91.8Very high95.6Very high74 Ų7449.6 Ų49.676%0.76327%0.268SS*.THydrogen-bonded Turntrans82.8-4.6179.900000114.9V61 I62V61-G64 VanDerWaalsContact CG1-C 3.46Å; I62-G64 PolarHBondContact O-N 3.34Å
65E90.9Very high95.7Very high80 Ų8053.3 Ų53.337%0.37428%0.284SS..EExtended strand (participates in β ladder)trans-111.7131.7-178.2-161.2174.8-178.100111.6V61 I62 N63 Q67 A70V61-E65 CarbonylContact C-O 3.39Å; V61-E65 WeakPolarHBondContact CA-O 3.47Å; I62-E65 PolarHBondContact N-O 3.25Å; I62-E65 PolarHBondContact O-N 3.03Å; N63-E65 VanDerWaalsContact C-N 3.27Å; N63-E65 PolarHBondContact O-N 3.38Å; E65-Q67 PolarHBondContact O-N 2.81Å; E65-A70 HydrophobicContact CB-CB 4.47Å; E65-A70 HydrophobicContact CG-CB 3.9Å; E65-A70 WeakPolarHBondContact OE1-CA 3.38Å
66M96.7Very high95.7Very high33 Ų3352.6 Ų52.616%0.16328%0.281CS..EExtended strand (participates in β ladder)trans-68.4130.3173.8-175.8-173-71.800109.4T58 Q60 V61 F68 Y69 A70 T197T58-M66 WeakPolarHBondContact O-CG 3.46Å; Q60-M66 WeakPolarHBondContact O-CA 3.33Å; V61-M66 HydrophobicContact CG2-CB 4.4Å; M66-F68 HydrophobicContact CG-CB 4.21Å; M66-F68 PolarHBondContact O-N 2.77Å; M66-F68 VanDerWaalsContact O-N 3.13Å; M66-F68 HydrophobicContact SD-CB 4.22Å; M66-Y69 HydrophobicContact CB-CD2 3.94Å; M66-Y69 HydrophobicContact CG-CD2 4.43Å; M66-Y69 PolarHBondContact O-N 2.96Å; M66-Y69 HydrophobicContact SD-CD2 4Å; M66-Y69 HydrophobicContact SD-CE2 3.84Å; M66-A70 PolarHBondContact O-N 3.32Å; M66-T197 HydrophobicContact SD-CG2 3.95Å
67Q96.9Very high95.8Very high34 Ų3456 Ų5616%0.15929%0.292CS..Hα-helixtrans-56.5-33-174.8-75.9-62.1-72.300113.7A56 Q60 I62 E65 Y69 A70 R71A56-Q67 WeakPolarHBondContact O-CB 3.38Å; Q60-Q67 HydrophobicContact CB-CG 4.17Å; Q60-Q67 HydrophobicContact CG-CG 4.47Å; Q60-Q67 WeakPolarHBondContact O-CG 3.22Å; Q60-Q67 PolarHBondContact O-N 3.17Å; I62-Q67 HydrophobicContact CD1-CG 4.11Å; I62-Q67 HydrophobicContact CG1-CG 4.33Å; E65-Q67 PolarHBondContact O-N 2.81Å; Q67-Y69 VanDerWaalsContact C-N 3.33Å; Q67-Y69 PolarHBondContact O-N 3.09Å; Q67-A70 PolarHBondContact O-N 2.82Å; Q67-R71 WeakPolarHBondContact O-CB 3.48Å; Q67-R71 WeakPolarHBondContact O-CD 3.5Å; Q67-R71 WeakPolarHBondContact O-CG 3.01Å; Q67-R71 PolarHBondContact O-N 3.05Å
68F98.4Very high96Very high1 Ų163.2 Ų63.20%0.00433%0.325CS..Hα-helixtrans-55.7-46.6174.9-175.4-115.5000112.3F38 L57 M66 H195 T197 L231 S236 V238F38-F68 HydrophobicContact CE1-CZ 4.4Å; F38-F68 HydrophobicContact CZ-CD1 4.11Å; F38-F68 HydrophobicContact CZ-CD2 4.29Å; F38-F68 HydrophobicContact CZ-CE1 4.06Å; F38-F68 HydrophobicContact CZ-CE2 4.26Å; F38-F68 HydrophobicContact CZ-CG 4.22Å; F38-F68 HydrophobicContact CZ-CZ 4.14Å; L57-F68 WeakPolarHBondContact O-CA 3.31Å; L57-F68 PolarHBondContact O-N 3.38Å; M66-F68 HydrophobicContact CG-CB 4.21Å; M66-F68 PolarHBondContact O-N 2.77Å; M66-F68 VanDerWaalsContact O-N 3.13Å; M66-F68 HydrophobicContact SD-CB 4.22Å; F68-H195 WeakPolarHBondContact CE1-O 3.46Å; F68-T197 HydrophobicContact CD1-CG2 4.05Å; F68-T197 HydrophobicContact CE1-CG2 4.36Å; F68-L231 HydrophobicContact CD2-CD1 4.27Å; F68-L231 HydrophobicContact CE2-CD1 3.84Å; F68-S236 VanDerWaalsContact CE2-O 3.24Å; F68-S236 WeakPolarHBondContact CE2-O 3.31Å; F68-S236 PolarHBondContact O-OG 2.7Å; F68-V238 HydrophobicContact CE2-CG1 4.19Å; F68-V238 HydrophobicContact CZ-CG1 4.32Å
69Y98.4Very high96.1Very high24 Ų2464.2 Ų64.29%0.09433%0.332CS..Hα-helixtrans-76.9-44.5179.2-66.1-56000112.1M66 Q67 R71 A72 K73 Q175 H195 L196 T197 D200M66-Y69 HydrophobicContact CB-CD2 3.94Å; M66-Y69 HydrophobicContact CG-CD2 4.43Å; M66-Y69 PolarHBondContact O-N 2.96Å; M66-Y69 HydrophobicContact SD-CD2 4Å; M66-Y69 HydrophobicContact SD-CE2 3.84Å; Q67-Y69 VanDerWaalsContact C-N 3.33Å; Q67-Y69 PolarHBondContact O-N 3.09Å; Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 3.47Å; Y69-A72 PolarHBondContact O-N 3.04Å; Y69-K73 PolarHBondContact O-N 3.04Å; Y69-Q175 HydrophobicContact CE1-CG 4.4Å; Y69-Q175 HydrophobicContact CE2-CG 4.19Å; Y69-H195 WeakPolarHBondContact CE1-O 3.32Å; Y69-L196 HydrophobicContact CE1-CD2 4.17Å; Y69-T197 HydrophobicContact CE2-CG2 4.21Å; Y69-T197 WeakPolarHBondContact OH-CG2 3Å; Y69-T197 PolarHBondContact OH-N 3.43Å; Y69-D200 VanDerWaalsContact OH-CB 3.28Å; Y69-D200 WeakPolarHBondContact OH-CB 3.17Å; Y69-D200 VanDerWaalsContact OH-CG 3.26Å; Y69-D200 PolarHBondContact OH-OD2 3.03Å
70A97.8Very high96.3Very high13 Ų1367.7 Ų67.711%0.10735%0.354CS..Hα-helixtrans-57.5-42.8-179.500000112.1E65 M66 Q67 K73 L74E65-A70 HydrophobicContact CB-CB 4.47Å; E65-A70 HydrophobicContact CG-CB 3.9Å; E65-A70 WeakPolarHBondContact OE1-CA 3.38Å; M66-A70 PolarHBondContact O-N 3.32Å; Q67-A70 PolarHBondContact O-N 2.82Å; A70-K73 PolarHBondContact O-N 2.81Å; A70-L74 VanDerWaalsContact O-CG 3.3Å; A70-L74 WeakPolarHBondContact O-CG 3.43Å; A70-L74 PolarHBondContact O-N 2.78Å
71R97.9Very high96.5Very high97 Ų9766 Ų6637%0.36635%0.351SS..Hα-helixtrans-68.3-39.9179.4-72.2171.2174.1-129.1-1112.7Q67 Y69 K73 L74 F75Q67-R71 WeakPolarHBondContact O-CB 3.48Å; Q67-R71 WeakPolarHBondContact O-CD 3.5Å; Q67-R71 WeakPolarHBondContact O-CG 3.01Å; Q67-R71 PolarHBondContact O-N 3.05Å; Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 3.47Å; R71-K73 VanDerWaalsContact C-N 3.32Å; R71-L74 PolarHBondContact O-N 2.89Å; R71-F75 PolarHBondContact O-N 2.82Å
72A98.1Very high96.6Very high2 Ų264.7 Ų64.72%0.01734%0.344CS..Hα-helixtrans-62.2-43.3174.500000110.8Y69 L74 F75 Y76 D235Y69-A72 PolarHBondContact O-N 3.04Å; A72-L74 PolarHBondContact O-N 2.82Å; A72-F75 WeakPolarHBondContact O-CB 3.48Å; A72-F75 PolarHBondContact O-N 3.02Å; A72-Y76 VanDerWaalsContact O-CD2 3.29Å; A72-Y76 WeakPolarHBondContact O-CD2 3.48Å; A72-Y76 PolarHBondContact O-N 3.48Å; A72-Y76 VanDerWaalsContact O-N 3.07Å; A72-D235 WeakPolarHBondContact CA-O 3.07Å; A72-D235 WeakPolarHBondContact CB-O 3.33Å
73K97.8Very high97Very high79 Ų7963.8 Ų63.834%0.34334%0.338SS..Hα-helixtrans-60.6-45.9175.3-169.9173.7-176.61740112.2Y69 A70 R71 F75 Y76 Q77 M147 M148Y69-K73 PolarHBondContact O-N 3.04Å; A70-K73 PolarHBondContact O-N 2.81Å; R71-K73 VanDerWaalsContact C-N 3.32Å; K73-F75 VanDerWaalsContact C-N 3.31Å; K73-F75 PolarHBondContact O-N 2.88Å; K73-Y76 PolarHBondContact O-N 2.83Å; K73-Q77 WeakPolarHBondContact O-CG 3.39Å; K73-Q77 PolarHBondContact O-N 2.81Å; K73-Q77 VanDerWaalsContact O-N 3.07Å; K73-M147 HydrophobicContact CB-SD 4.45Å; K73-M148 HydrophobicContact CG-SD 4.26Å
74L97.8Very high97.3Very high103 Ų10361.7 Ų61.754%0.53932%0.323SS..Hα-helixtrans-60-39.6175.3-72.6170.9000112.2A70 R71 A72 Q77A70-L74 VanDerWaalsContact O-CG 3.3Å; A70-L74 WeakPolarHBondContact O-CG 3.43Å; A70-L74 PolarHBondContact O-N 2.78Å; R71-L74 PolarHBondContact O-N 2.89Å; A72-L74 PolarHBondContact O-N 2.82Å; L74-Q77 PolarHBondContact O-N 3.03Å
75F98.3Very high97.6Very high77 Ų7758.9 Ų58.934%0.33829%0.294SS..Hα-helixtrans-60.5-51.9175.8174.5-93.9000111.4R71 A72 K73 Q77 E78 V79 S234 D235R71-F75 PolarHBondContact O-N 2.82Å; A72-F75 WeakPolarHBondContact O-CB 3.48Å; A72-F75 PolarHBondContact O-N 3.02Å; K73-F75 VanDerWaalsContact C-N 3.31Å; K73-F75 PolarHBondContact O-N 2.88Å; F75-Q77 VanDerWaalsContact C-N 3.26Å; F75-Q77 PolarHBondContact O-N 3.44Å; F75-E78 PolarHBondContact O-N 3.07Å; F75-E78 VanDerWaalsContact O-N 3.15Å; F75-V79 HydrophobicContact CD1-CG2 3.99Å; F75-V79 HydrophobicContact CE1-CG2 3.59Å; F75-V79 HydrophobicContact CZ-CG2 4.02Å; F75-V79 PolarHBondContact O-N 2.84Å; F75-S234 VanDerWaalsContact CD2-O 3.26Å; F75-S234 WeakPolarHBondContact CD2-O 3.49Å; F75-D235 HydrophobicContact CD1-CB 3.66Å; F75-D235 HydrophobicContact CD2-CB 4.05Å; F75-D235 HydrophobicContact CE1-CB 3.69Å; F75-D235 HydrophobicContact CE2-CB 4.08Å; F75-D235 HydrophobicContact CG-CB 3.85Å; F75-D235 HydrophobicContact CZ-CB 3.91Å
76Y98.3Very high97.9Very high47 Ų4757 Ų5718%0.18429%0.285CS..Hα-helixtrans-72-15.2-177.3-76.4-70.7000114.6A72 K73 E78 V79 M147 F151 H195A72-Y76 VanDerWaalsContact O-CD2 3.29Å; A72-Y76 WeakPolarHBondContact O-CD2 3.48Å; A72-Y76 PolarHBondContact O-N 3.48Å; A72-Y76 VanDerWaalsContact O-N 3.07Å; K73-Y76 PolarHBondContact O-N 2.83Å; Y76-E78 PolarHBondContact O-N 2.86Å; Y76-V79 HydrophobicContact CD1-CB 4.2Å; Y76-V79 HydrophobicContact CD1-CG1 4.45Å; Y76-V79 HydrophobicContact CD1-CG2 4Å; Y76-V79 PolarHBondContact O-N 2.93Å; Y76-M147 HydrophobicContact CD2-CE 3.51Å; Y76-M147 HydrophobicContact CE2-CE 4.28Å; Y76-M147 HydrophobicContact CG-CE 4.19Å; Y76-F151 AromaticContact CD1-CE2 3.8Å; Y76-F151 HydrophobicContact CD1-CE2 3.8Å; Y76-F151 HydrophobicContact CD1-CZ 4.09Å; Y76-F151 HydrophobicContact CG-CE2 4.25Å; Y76-F151 WeakPolarHBondContact O-CZ 3.06Å; Y76-H195 AromaticContact CE2-CE1 3.69Å; Y76-H195 AromaticContact CE2-NE2 3.53Å; Y76-H195 AromaticContact CZ-NE2 3.82Å; Y76-H195 PolarHBondContact OH-NE2 2.88Å
77Q97.9Very high97.9Very high101 Ų10156.1 Ų56.147%0.47228%0.281SS..Hα-helixtrans-63-30.9169.5-77.5172.8-9.200112.5K73 L74 F75 M148K73-Q77 WeakPolarHBondContact O-CG 3.39Å; K73-Q77 PolarHBondContact O-N 2.81Å; K73-Q77 VanDerWaalsContact O-N 3.07Å; L74-Q77 PolarHBondContact O-N 3.03Å; F75-Q77 VanDerWaalsContact C-N 3.26Å; F75-Q77 PolarHBondContact O-N 3.44Å; Q77-M148 HydrophobicContact CB-CE 4.4Å; Q77-M148 HydrophobicContact CG-CE 3.76Å
78E97.6Very high97.8Very high163 Ų16356.6 Ų56.676%0.76230%0.295SS*.Hα-helixtrans-95.9-9-178-58.4-59.8140.600112.8F75 Y76F75-E78 PolarHBondContact O-N 3.07Å; F75-E78 VanDerWaalsContact O-N 3.15Å; Y76-E78 PolarHBondContact O-N 2.86Å
79V98Very high97.4Very high22 Ų2263.6 Ų63.613%0.13333%0.333CS..SBendtrans-76.6127.7177.9171.20000109.4F75 Y76 G85 M86 F151F75-V79 HydrophobicContact CD1-CG2 3.99Å; F75-V79 HydrophobicContact CE1-CG2 3.59Å; F75-V79 HydrophobicContact CZ-CG2 4.02Å; F75-V79 PolarHBondContact O-N 2.84Å; Y76-V79 HydrophobicContact CD1-CB 4.2Å; Y76-V79 HydrophobicContact CD1-CG1 4.45Å; Y76-V79 HydrophobicContact CD1-CG2 4Å; Y76-V79 PolarHBondContact O-N 2.93Å; V79-G85 WeakPolarHBondContact CG1-O 3.46Å; V79-M86 HydrophobicContact CG1-CE 4.08Å; V79-F151 HydrophobicContact CB-CZ 4.04Å; V79-F151 HydrophobicContact CG1-CZ 4.06Å; V79-F151 WeakPolarHBondContact O-CE1 3.43Å
80P98.1Very high97.2Very high81 Ų8167.2 Ų67.253%0.52635%0.349SS..  trans-61141.3176-23.734000112.2T82P80-T82 HydrophobicContact CB-CG2 4.27Å; P80-T82 PolarHBondContact O-N 2.92Å
81A98.4Very high97.2Very high32 Ų3269.4 Ų69.426%0.26436%0.358SS..SBendtrans-75.863.5174.900000111.4I127 F151 E154A81-I127 HydrophobicContact CB-CG2 3.89Å; A81-F151 HydrophobicContact CB-CD1 3.84Å; A81-F151 HydrophobicContact CB-CE1 4.24Å; A81-E154 HydrophobicContact CB-CB 3.74Å; A81-E154 HydrophobicContact CB-CG 3.77Å; A81-E154 WeakPolarHBondContact O-CG 3.45Å
82T98.4Very high97.1Very high57 Ų5770.4 Ų70.435%0.3537%0.367SS..SBendtrans-135.5164.7-179.166.40000110.5P80 E84 G85 M86P80-T82 HydrophobicContact CB-CG2 4.27Å; P80-T82 PolarHBondContact O-N 2.92Å; T82-E84 PolarHBondContact O-N 2.87Å; T82-E84 PolarHBondContact OG1-N 2.63Å; T82-G85 PolarHBondContact O-N 3.4Å; T82-G85 VanDerWaalsContact O-N 3.13Å; T82-G85 PolarHBondContact OG1-N 2.91Å; T82-G85 VanDerWaalsContact OG1-N 3.08Å; T82-M86 WeakPolarHBondContact O-CG 3.44Å; T82-M86 PolarHBondContact O-N 3.25Å
83E97.7Very high97Very high51 Ų5170.8 Ų70.824%0.23837%0.369CS..Hα-helixtrans-57.9-36.2173.2-72.5-165.1-156.400111.7M86 M87 I91 I127 R129 H133 Y158E83-M86 PolarHBondContact O-N 3.36Å; E83-M87 WeakPolarHBondContact O-CB 3.32Å; E83-M87 WeakPolarHBondContact O-CG 3.42Å; E83-M87 PolarHBondContact O-N 3.28Å; E83-I91 HydrophobicContact CB-CD1 3.77Å; E83-I127 HydrophobicContact CG-CD1 4.41Å; E83-R129 HydrophobicContact CG-CG 4.22Å; E83-H133 IonicContact OE1-NE2 3Å; E83-H133 PolarHBondContact OE1-NE2 3.43Å; E83-H133 VanDerWaalsContact OE1-NE2 3.13Å; E83-Y158 HydrophobicContact CG-CE2 3.96Å; E83-Y158 WeakPolarHBondContact CG-OH 3.27Å; E83-Y158 PolarHBondContact OE1-OH 2.69Å
84E97.8Very high97Very high124 Ų12467.3 Ų67.358%0.57936%0.355SS*.Hα-helixtrans-62.7-45.1174.9-69.1161.9-17800111.2T82 M86 M87 G88 I91T82-E84 PolarHBondContact O-N 2.87Å; T82-E84 PolarHBondContact OG1-N 2.63Å; E84-M86 VanDerWaalsContact C-N 3.32Å; E84-M86 PolarHBondContact O-N 3.38Å; E84-M87 CarbonylContact O-C 3.49Å; E84-M87 PolarHBondContact O-N 3.06Å; E84-G88 WeakPolarHBondContact O-CA 3.37Å; E84-G88 PolarHBondContact O-N 3.31Å; E84-G88 VanDerWaalsContact O-O 3.11Å; E84-I91 HydrophobicContact CG-CB 3.99Å; E84-I91 HydrophobicContact CG-CD1 4.11Å; E84-I91 HydrophobicContact CG-CG1 3.73Å; E84-I91 HydrophobicContact CG-CG2 4.32Å
85G97.4Very high97.1Very high15 Ų1563.9 Ų63.916%0.15535%0.345CS..Hα-helixtrans-59.5-41.2174.400000112.8V79 T82 M87 G88V79-G85 WeakPolarHBondContact CG1-O 3.46Å; T82-G85 PolarHBondContact O-N 3.4Å; T82-G85 VanDerWaalsContact O-N 3.13Å; T82-G85 PolarHBondContact OG1-N 2.91Å; T82-G85 VanDerWaalsContact OG1-N 3.08Å; G85-M87 VanDerWaalsContact C-N 3.3Å; G85-M87 PolarHBondContact O-N 3.13Å; G85-G88 PolarHBondContact O-N 3.19Å
86M97.9Very high97.1Very high40 Ų4061.8 Ų61.820%0.19734%0.338CS..Hα-helixtrans-68.5-28.5177.6-60.1-55.489.900113.4V79 T82 E83 E84 I127 F151V79-M86 HydrophobicContact CG1-CE 4.08Å; T82-M86 WeakPolarHBondContact O-CG 3.44Å; T82-M86 PolarHBondContact O-N 3.25Å; E83-M86 PolarHBondContact O-N 3.36Å; E84-M86 VanDerWaalsContact C-N 3.32Å; E84-M86 PolarHBondContact O-N 3.38Å; M86-I127 HydrophobicContact CG-CD1 4.38Å; M86-I127 HydrophobicContact CG-CG1 3.86Å; M86-I127 HydrophobicContact SD-CG1 4.46Å; M86-F151 HydrophobicContact CE-CD1 4.17Å; M86-F151 HydrophobicContact CE-CD2 4.12Å; M86-F151 HydrophobicContact CE-CE1 3.85Å; M86-F151 HydrophobicContact CE-CE2 3.78Å; M86-F151 HydrophobicContact CE-CG 4.33Å; M86-F151 HydrophobicContact CE-CZ 3.66Å; M86-F151 HydrophobicContact SD-CD2 4.49Å
87M97.3Very high97.1Very high15 Ų1559.5 Ų59.57%0.07433%0.33CS..Hα-helixtrans-96.5-5.9-178.6-65.5-64.3-54.200112.8E83 E84 G85 N89 F90 I91 L93 W191E83-M87 WeakPolarHBondContact O-CB 3.32Å; E83-M87 WeakPolarHBondContact O-CG 3.42Å; E83-M87 PolarHBondContact O-N 3.28Å; E84-M87 CarbonylContact O-C 3.49Å; E84-M87 PolarHBondContact O-N 3.06Å; G85-M87 VanDerWaalsContact C-N 3.3Å; G85-M87 PolarHBondContact O-N 3.13Å; M87-N89 PolarHBondContact O-N 3.29Å; M87-F90 VanDerWaalsContact CE-O 3.26Å; M87-F90 WeakPolarHBondContact CE-O 3.28Å; M87-F90 WeakPolarHBondContact O-CB 3.34Å; M87-F90 PolarHBondContact O-N 2.82Å; M87-I91 HydrophobicContact CB-CB 4.45Å; M87-I91 HydrophobicContact CB-CD1 4.34Å; M87-I91 HydrophobicContact CG-CD1 4.03Å; M87-L93 HydrophobicContact CE-CB 4.15Å; M87-W191 HydrophobicContact CE-CH2 3.72Å; M87-W191 HydrophobicContact CE-CZ3 3.94Å; M87-W191 HydrophobicContact SD-CH2 3.96Å; M87-W191 HydrophobicContact SD-CZ3 3.53Å; M87-W191 VanDerWaalsContact SD-CZ3 3.53Å
88G93.8Very high97.1Very high44 Ų4455.4 Ų55.445%0.45431%0.311SS..THydrogen-bonded Turntrans54.9-131.1-170.400000111.5E84 G85 F90E84-G88 WeakPolarHBondContact O-CA 3.37Å; E84-G88 PolarHBondContact O-N 3.31Å; E84-G88 VanDerWaalsContact O-O 3.11Å; G85-G88 PolarHBondContact O-N 3.19Å; G88-F90 PolarHBondContact O-N 2.89Å; G88-F90 VanDerWaalsContact O-N 3.11Å
89N91.3Very high97.2Very high149 Ų14954.2 Ų54.280%0.79731%0.305SS*.THydrogen-bonded Turntrans-79.516.9-179.4-62.6-39.6000114.2M87M87-N89 PolarHBondContact O-N 3.29Å
90F94.6Very high97.2Very high99 Ų9953.6 Ų53.643%0.43430%0.302SS..  trans-131.634.3-168.1-57.5-76.6000113.5M87 G88 E92 L93M87-F90 VanDerWaalsContact CE-O 3.26Å; M87-F90 WeakPolarHBondContact CE-O 3.28Å; M87-F90 WeakPolarHBondContact O-CB 3.34Å; M87-F90 PolarHBondContact O-N 2.82Å; G88-F90 PolarHBondContact O-N 2.89Å; G88-F90 VanDerWaalsContact O-N 3.11Å; F90-E92 VanDerWaalsContact C-OE2 3.3Å; F90-E92 PolarHBondContact O-N 3.18Å; F90-L93 HydrophobicContact CB-CB 4.38Å; F90-L93 HydrophobicContact CB-CD1 3.84Å; F90-L93 HydrophobicContact CB-CG 4.01Å; F90-L93 HydrophobicContact CD1-CD1 3.88Å; F90-L93 HydrophobicContact CG-CD1 4.14Å; F90-L93 WeakPolarHBondContact O-CB 3.28Å; F90-L93 PolarHBondContact O-N 3.11Å
91I96.2Very high97.2Very high59 Ų5949.7 Ų49.730%0.30328%0.277SS..G310 helixtrans-55-35.2-178.4-176.857.2000112.9E83 E84 M87 L93 S94E83-I91 HydrophobicContact CB-CD1 3.77Å; E84-I91 HydrophobicContact CG-CB 3.99Å; E84-I91 HydrophobicContact CG-CD1 4.11Å; E84-I91 HydrophobicContact CG-CG1 3.73Å; E84-I91 HydrophobicContact CG-CG2 4.32Å; M87-I91 HydrophobicContact CB-CB 4.45Å; M87-I91 HydrophobicContact CB-CD1 4.34Å; M87-I91 HydrophobicContact CG-CD1 4.03Å; I91-L93 PolarHBondContact O-N 3.22Å; I91-L93 VanDerWaalsContact O-N 3.14Å; I91-S94 WeakPolarHBondContact O-CB 3.43Å; I91-S94 PolarHBondContact O-N 2.83Å
92E96.3Very high97.3Very high118 Ų11852.4 Ų52.455%0.55128%0.28SS*.G310 helixtrans-60.8-22.1176.671-76.9-17800113.2F90 S94 P96F90-E92 VanDerWaalsContact C-OE2 3.3Å; F90-E92 PolarHBondContact O-N 3.18Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-P96 WeakPolarHBondContact O-CD 3.36Å
93L97.3Very high97.3Very high10 Ų1054.8 Ų54.85%0.05229%0.286CS..G310 helixtrans-83.3-9.2177.4-52.9-171.2000113.1M87 F90 I91 G95 P96 D97 F265 P266M87-L93 HydrophobicContact CE-CB 4.15Å; F90-L93 HydrophobicContact CB-CB 4.38Å; F90-L93 HydrophobicContact CB-CD1 3.84Å; F90-L93 HydrophobicContact CB-CG 4.01Å; F90-L93 HydrophobicContact CD1-CD1 3.88Å; F90-L93 HydrophobicContact CG-CD1 4.14Å; F90-L93 WeakPolarHBondContact O-CB 3.28Å; F90-L93 PolarHBondContact O-N 3.11Å; I91-L93 PolarHBondContact O-N 3.22Å; I91-L93 VanDerWaalsContact O-N 3.14Å; L93-G95 VanDerWaalsContact C-N 3.33Å; L93-G95 PolarHBondContact O-N 2.48Å; L93-P96 WeakPolarHBondContact O-CD 3.28Å; L93-D97 WeakPolarHBondContact O-CB 3.48Å; L93-D97 PolarHBondContact O-N 3.13Å; L93-F265 HydrophobicContact CB-CD1 4.41Å; L93-F265 HydrophobicContact CB-CE1 3.85Å; L93-F265 HydrophobicContact CB-CE2 4.23Å; L93-F265 HydrophobicContact CB-CZ 3.74Å; L93-F265 HydrophobicContact CD1-CD1 4.48Å; L93-F265 HydrophobicContact CD1-CD2 3.82Å; L93-F265 HydrophobicContact CD1-CE2 3.85Å; L93-F265 HydrophobicContact CD1-CG 4.14Å; L93-F265 HydrophobicContact CD1-CZ 4.21Å; L93-F265 HydrophobicContact CD2-CD1 4.37Å; L93-P266 HydrophobicContact CD2-CG 4.17Å
94S97.7Very high97.3Very high6 Ų652.4 Ų52.44%0.04228%0.275CS..Hα-helixtrans-59.8-42.5179.1-176.60000111.7I91 E92 D97 I98 R129I91-S94 WeakPolarHBondContact O-CB 3.43Å; I91-S94 PolarHBondContact O-N 2.83Å; E92-S94 VanDerWaalsContact C-N 3.34Å; S94-D97 WeakPolarHBondContact O-CB 3.43Å; S94-D97 PolarHBondContact O-N 2.83Å; S94-I98 WeakPolarHBondContact O-CB 3.25Å; S94-I98 WeakPolarHBondContact O-CD1 3.47Å; S94-I98 WeakPolarHBondContact O-CG1 3.15Å; S94-I98 PolarHBondContact O-N 3.49Å; S94-R129 PolarHBondContact OG-NH1 3.24Å; S94-R129 VanDerWaalsContact OG-NH1 3.13Å
95G98.2Very high97.4Very high32 Ų3246.6 Ų46.633%0.3325%0.248SC..Hα-helixtrans-61.4-57.5178.700000113.3L93 D97 I98 Q99L93-G95 VanDerWaalsContact C-N 3.33Å; L93-G95 PolarHBondContact O-N 2.48Å; G95-D97 VanDerWaalsContact C-N 3.29Å; G95-D97 PolarHBondContact O-N 3.43Å; G95-I98 PolarHBondContact O-N 2.82Å; G95-Q99 WeakPolarHBondContact O-CG 3.42Å; G95-Q99 PolarHBondContact O-N 2.93Å; G95-Q99 VanDerWaalsContact O-N 3.09Å
96P98.4Very high97.4Very high32 Ų3253.6 Ų53.621%0.20827%0.269CS..Hα-helixtrans-57.3-38.6174.6-26.634.6000113.5E92 L93 Q99 A100 Q262 C264 F265E92-P96 WeakPolarHBondContact O-CD 3.36Å; L93-P96 WeakPolarHBondContact O-CD 3.28Å; P96-Q99 PolarHBondContact O-N 3.4Å; P96-A100 WeakPolarHBondContact O-CB 3.15Å; P96-A100 PolarHBondContact O-N 3.15Å; P96-Q262 PolarHBondContact O-NE2 2.77Å; P96-C264 HydrophobicContact CB-CB 4.24Å; P96-F265 HydrophobicContact CB-CD1 4.31Å; P96-F265 HydrophobicContact CB-CE1 4.09Å
97D98.7Very high97.4Very high0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-57.8-53.3174.9166.868.7000112L93 S94 G95 Q99 A100 S101 R129 Q190 W191 K221 F265L93-D97 WeakPolarHBondContact O-CB 3.48Å; L93-D97 PolarHBondContact O-N 3.13Å; S94-D97 WeakPolarHBondContact O-CB 3.43Å; S94-D97 PolarHBondContact O-N 2.83Å; G95-D97 VanDerWaalsContact C-N 3.29Å; G95-D97 PolarHBondContact O-N 3.43Å; D97-Q99 VanDerWaalsContact C-N 3.32Å; D97-Q99 PolarHBondContact O-N 3.27Å; D97-A100 PolarHBondContact O-N 2.81Å; D97-S101 WeakPolarHBondContact O-CB 3.33Å; D97-S101 PolarHBondContact O-N 2.88Å; D97-S101 PolarHBondContact O-OG 3.29Å; D97-R129 IonicContact OD2-CZ 3.68Å; D97-R129 IonicContact OD2-NH1 3.3Å; D97-R129 PolarHBondContact OD2-NH1 2.98Å; D97-R129 IonicContact OD2-NH2 3.76Å; D97-R129 PolarHBondContact OD2-NH2 3.46Å; D97-Q190 VanDerWaalsContact CG-NE2 3.32Å; D97-Q190 PolarHBondContact OD1-NE2 3.36Å; D97-Q190 PolarHBondContact OD2-NE2 2.85Å; D97-W191 HydrophobicContact CB-CH2 4.21Å; D97-K221 PolarHBondContact O-NZ 3.29Å; D97-K221 VanDerWaalsContact OD1-CE 3.26Å; D97-K221 WeakPolarHBondContact OD1-CE 3.45Å; D97-K221 IonicContact OD1-NZ 2.78Å; D97-K221 PolarHBondContact OD1-NZ 3.42Å; D97-F265 HydrophobicContact CB-CE1 4.31Å; D97-F265 HydrophobicContact CB-CZ 4.11Å
98I98.7Very high97.4Very high15 Ų1556.6 Ų56.68%0.07728%0.281CS..Hα-helixtrans-60.8-42.7-179.1-71.8160.3000110.9S94 G95 S101 R102 H133 V134S94-I98 WeakPolarHBondContact O-CB 3.25Å; S94-I98 WeakPolarHBondContact O-CD1 3.47Å; S94-I98 WeakPolarHBondContact O-CG1 3.15Å; S94-I98 PolarHBondContact O-N 3.49Å; G95-I98 PolarHBondContact O-N 2.82Å; I98-S101 PolarHBondContact O-N 3.31Å; I98-R102 HydrophobicContact CG2-CG 4.49Å; I98-R102 WeakPolarHBondContact O-CB 3.42Å; I98-R102 WeakPolarHBondContact O-CG 3.32Å; I98-R102 PolarHBondContact O-N 3.42Å; I98-H133 HydrophobicContact CB-CB 4.49Å; I98-H133 HydrophobicContact CD1-CB 3.55Å; I98-H133 HydrophobicContact CG1-CB 3.83Å; I98-H133 HydrophobicContact CG2-CB 3.81Å; I98-V134 HydrophobicContact CG2-CG2 4.32Å
99Q98.6Very high97.6Very high137 Ų13755.3 Ų55.364%0.6426%0.263SS*.Hα-helixtrans-63.5-47.6-178.8-72.2176.552.800111.6G95 P96 D97 R102 K103G95-Q99 WeakPolarHBondContact O-CG 3.42Å; G95-Q99 PolarHBondContact O-N 2.93Å; G95-Q99 VanDerWaalsContact O-N 3.09Å; P96-Q99 PolarHBondContact O-N 3.4Å; D97-Q99 VanDerWaalsContact C-N 3.32Å; D97-Q99 PolarHBondContact O-N 3.27Å; Q99-R102 PolarHBondContact O-N 2.75Å; Q99-K103 WeakPolarHBondContact O-CB 3.39Å; Q99-K103 PolarHBondContact O-N 2.96Å; Q99-K103 VanDerWaalsContact O-N 3.07Å
100A98.7Very high97.6Very high9 Ų951.1 Ų51.17%0.07426%0.255CS..Hα-helixtrans-63.2-43.3176.500000111.4P96 D97 R102 K103 F104 Q262 M274P96-A100 WeakPolarHBondContact O-CB 3.15Å; P96-A100 PolarHBondContact O-N 3.15Å; D97-A100 PolarHBondContact O-N 2.81Å; A100-R102 PolarHBondContact O-N 3.09Å; A100-K103 PolarHBondContact O-N 2.97Å; A100-F104 WeakPolarHBondContact O-CB 3.43Å; A100-F104 PolarHBondContact O-N 3.16Å; A100-Q262 VanDerWaalsContact CB-NE2 3.32Å; A100-Q262 VanDerWaalsContact CB-OE1 3.27Å; A100-M274 HydrophobicContact CB-CE 4.12Å
101S98.8Very high97.4Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-59.1-47.1177.1-67.60000112.3D97 I98 K103 F104 L105 W188 K221D97-S101 WeakPolarHBondContact O-CB 3.33Å; D97-S101 PolarHBondContact O-N 2.88Å; D97-S101 PolarHBondContact O-OG 3.29Å; I98-S101 PolarHBondContact O-N 3.31Å; S101-K103 VanDerWaalsContact C-N 3.35Å; S101-K103 PolarHBondContact O-N 3.08Å; S101-F104 PolarHBondContact O-N 3.35Å; S101-L105 VanDerWaalsContact O-CB 3.27Å; S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 PolarHBondContact O-N 3.06Å; S101-W188 WeakPolarHBondContact OG-CZ2 3.38Å; S101-K221 WeakPolarHBondContact OG-CD 3.33Å; S101-K221 PolarHBondContact OG-NZ 3.47Å
102R98.7Very high97Very high88 Ų8851.9 Ų51.933%0.33228%0.281SS..Hα-helixtrans-61.3-42176.2-75.1175.1172174.2-0.1112I98 Q99 A100 R106 H133 V134I98-R102 HydrophobicContact CG2-CG 4.49Å; I98-R102 WeakPolarHBondContact O-CB 3.42Å; I98-R102 WeakPolarHBondContact O-CG 3.32Å; I98-R102 PolarHBondContact O-N 3.42Å; Q99-R102 PolarHBondContact O-N 2.75Å; A100-R102 PolarHBondContact O-N 3.09Å; R102-R106 VanDerWaalsContact O-CG 3.27Å; R102-R106 WeakPolarHBondContact O-CG 3.29Å; R102-R106 PolarHBondContact O-N 3.41Å; R102-H133 PolarHBondContact NE-O 3.18Å; R102-H133 PolarHBondContact NH2-O 2.62Å; R102-V134 HydrophobicContact CG-CG1 4.47Å
103K98.6Very high96.8Very high107 Ų10749.4 Ų49.447%0.46529%0.287SS..Hα-helixtrans-65.4-43.1178.5-177.5-173.3175.6-163.90111.4Q99 A100 S101 E260Q99-K103 WeakPolarHBondContact O-CB 3.39Å; Q99-K103 PolarHBondContact O-N 2.96Å; Q99-K103 VanDerWaalsContact O-N 3.07Å; A100-K103 PolarHBondContact O-N 2.97Å; S101-K103 VanDerWaalsContact C-N 3.35Å; S101-K103 PolarHBondContact O-N 3.08Å; K103-E260 IonicContact NZ-OE1 3.53Å
104F98.8Very high96.7Very high2 Ų254.9 Ų54.91%0.00931%0.307CS..Hα-helixtrans-65.5-50.9178.1-170.8-106.8000111.2A100 S101 R106 K107 F108 I219 E260 M274 A276A100-F104 WeakPolarHBondContact O-CB 3.43Å; A100-F104 PolarHBondContact O-N 3.16Å; S101-F104 PolarHBondContact O-N 3.35Å; F104-R106 VanDerWaalsContact C-N 3.33Å; F104-R106 PolarHBondContact O-N 3.01Å; F104-K107 VanDerWaalsContact O-CB 3.32Å; F104-K107 WeakPolarHBondContact O-CB 3Å; F104-K107 PolarHBondContact O-N 3.01Å; F104-F108 HydrophobicContact CD1-CD2 4.4Å; F104-F108 AromaticContact CD1-CE2 3.98Å; F104-F108 HydrophobicContact CD1-CE2 3.98Å; F104-F108 HydrophobicContact CD2-CE2 4.04Å; F104-F108 HydrophobicContact CE1-CD2 4.27Å; F104-F108 AromaticContact CE1-CE2 3.65Å; F104-F108 HydrophobicContact CE1-CE2 3.65Å; F104-F108 HydrophobicContact CE1-CZ 4.44Å; F104-F108 AromaticContact CE2-CE2 3.71Å; F104-F108 HydrophobicContact CE2-CE2 3.71Å; F104-F108 HydrophobicContact CE2-CZ 4.12Å; F104-F108 HydrophobicContact CG-CE2 4.17Å; F104-F108 AromaticContact CZ-CE2 3.51Å; F104-F108 HydrophobicContact CZ-CE2 3.51Å; F104-F108 AromaticContact CZ-CZ 3.93Å; F104-F108 HydrophobicContact CZ-CZ 3.93Å; F104-F108 VanDerWaalsContact O-CD2 3.26Å; F104-F108 WeakPolarHBondContact O-CD2 2.86Å; F104-F108 WeakPolarHBondContact O-CE2 3.3Å; F104-I219 HydrophobicContact CD1-CD1 4.27Å; F104-I219 HydrophobicContact CD1-CG2 4.16Å; F104-I219 HydrophobicContact CE1-CD1 3.95Å; F104-I219 HydrophobicContact CE1-CG2 4.16Å; F104-E260 HydrophobicContact CD2-CB 3.71Å; F104-E260 WeakPolarHBondContact CD2-OE2 3.21Å; F104-E260 HydrophobicContact CE2-CB 3.72Å; F104-M274 HydrophobicContact CB-CE 4.47Å; F104-M274 HydrophobicContact CB-SD 3.76Å; F104-M274 HydrophobicContact CD1-CB 3.81Å; F104-M274 HydrophobicContact CD1-CG 4.44Å; F104-M274 HydrophobicContact CD1-SD 4.27Å; F104-M274 HydrophobicContact CD2-CB 4.27Å; F104-M274 HydrophobicContact CE1-CB 3.75Å; F104-M274 HydrophobicContact CE2-CB 4.23Å; F104-M274 HydrophobicContact CG-CB 4.07Å; F104-M274 HydrophobicContact CG-SD 3.98Å; F104-M274 HydrophobicContact CZ-CB 3.97Å; F104-A276 HydrophobicContact CE1-CB 3.91Å; F104-A276 HydrophobicContact CZ-CB 3.96Å
105L98.7Very high96.7Very high2 Ų254.7 Ų54.71%0.0131%0.305CS..Hα-helixtrans-54.6-45.2-178.6178.660.5000112.7S101 K107 F108 I109 V134 L135 V138 F139 V186 W188 I219S101-L105 VanDerWaalsContact O-CB 3.27Å; S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 PolarHBondContact O-N 3.06Å; L105-K107 PolarHBondContact O-N 2.95Å; L105-F108 PolarHBondContact O-N 3.28Å; L105-I109 HydrophobicContact CD1-CG2 3.78Å; L105-I109 HydrophobicContact CG-CD1 4.07Å; L105-I109 HydrophobicContact CG-CG2 4.34Å; L105-I109 PolarHBondContact O-N 3.2Å; L105-V134 HydrophobicContact CD2-CG1 3.96Å; L105-L135 HydrophobicContact CD2-CD2 4.5Å; L105-V138 HydrophobicContact CD2-CG2 4.49Å; L105-F139 HydrophobicContact CD1-CZ 4.37Å; L105-F139 HydrophobicContact CD2-CE2 3.99Å; L105-F139 HydrophobicContact CD2-CZ 4.46Å; L105-V186 HydrophobicContact CD1-CG1 4.32Å; L105-V186 HydrophobicContact CD1-CG2 4.15Å; L105-W188 HydrophobicContact CB-CZ3 4.12Å; L105-W188 HydrophobicContact CD1-CZ3 4.21Å; L105-W188 HydrophobicContact CD2-CZ3 4.47Å; L105-W188 HydrophobicContact CG-CZ3 4.49Å; L105-I219 HydrophobicContact CD1-CG1 4.42Å
106R98.2Very high96.7Very high161 Ų16154.3 Ų54.361%0.60830%0.302SS*.THydrogen-bonded Turntrans-56.8-21.8179.8-76172.7-172.21510.3114.4R102 F104 F108R102-R106 VanDerWaalsContact O-CG 3.27Å; R102-R106 WeakPolarHBondContact O-CG 3.29Å; R102-R106 PolarHBondContact O-N 3.41Å; F104-R106 VanDerWaalsContact C-N 3.33Å; F104-R106 PolarHBondContact O-N 3.01Å; R106-F108 VanDerWaalsContact C-N 3.25Å; R106-F108 PolarHBondContact O-N 3.4Å
107K98.2Very high96.7Very high91 Ų9155.1 Ų55.140%0.39631%0.306SS..THydrogen-bonded Turntrans-71.2-23.3177.5-59.7174.4-178.1178.70112.2F104 L105 R114 E260F104-K107 VanDerWaalsContact O-CB 3.32Å; F104-K107 WeakPolarHBondContact O-CB 3Å; F104-K107 PolarHBondContact O-N 3.01Å; L105-K107 PolarHBondContact O-N 2.95Å; K107-R114 PolarHBondContact O-NE 3.32Å; K107-E260 IonicContact NZ-OE1 3.51Å; K107-E260 IonicContact NZ-OE2 2.6Å; K107-E260 PolarHBondContact NZ-OE2 3.35Å
108F98.2Very high96.7Very high28 Ų2858.8 Ų58.812%0.12333%0.326CS..THydrogen-bonded Turntrans-115.8-1.5-168.3-56.3-76.4000114.6F104 L105 R106 R114 A115 V217 I219 L257 A276F104-F108 HydrophobicContact CD1-CD2 4.4Å; F104-F108 AromaticContact CD1-CE2 3.98Å; F104-F108 HydrophobicContact CD1-CE2 3.98Å; F104-F108 HydrophobicContact CD2-CE2 4.04Å; F104-F108 HydrophobicContact CE1-CD2 4.27Å; F104-F108 AromaticContact CE1-CE2 3.65Å; F104-F108 HydrophobicContact CE1-CE2 3.65Å; F104-F108 HydrophobicContact CE1-CZ 4.44Å; F104-F108 AromaticContact CE2-CE2 3.71Å; F104-F108 HydrophobicContact CE2-CE2 3.71Å; F104-F108 HydrophobicContact CE2-CZ 4.12Å; F104-F108 HydrophobicContact CG-CE2 4.17Å; F104-F108 AromaticContact CZ-CE2 3.51Å; F104-F108 HydrophobicContact CZ-CE2 3.51Å; F104-F108 AromaticContact CZ-CZ 3.93Å; F104-F108 HydrophobicContact CZ-CZ 3.93Å; F104-F108 VanDerWaalsContact O-CD2 3.26Å; F104-F108 WeakPolarHBondContact O-CD2 2.86Å; F104-F108 WeakPolarHBondContact O-CE2 3.3Å; L105-F108 PolarHBondContact O-N 3.28Å; R106-F108 VanDerWaalsContact C-N 3.25Å; R106-F108 PolarHBondContact O-N 3.4Å; F108-R114 WeakPolarHBondContact O-CB 3.27Å; F108-A115 WeakPolarHBondContact O-CB 3.21Å; F108-A115 PolarHBondContact O-N 2.82Å; F108-V217 HydrophobicContact CB-CG2 4.23Å; F108-I219 HydrophobicContact CD2-CD1 4.35Å; F108-L257 HydrophobicContact CD1-CB 4.48Å; F108-L257 HydrophobicContact CE1-CB 4.07Å; F108-A276 HydrophobicContact CD1-CB 3.74Å; F108-A276 HydrophobicContact CD2-CB 3.75Å; F108-A276 HydrophobicContact CE1-CB 3.51Å; F108-A276 HydrophobicContact CE2-CB 3.53Å; F108-A276 HydrophobicContact CG-CB 3.86Å; F108-A276 HydrophobicContact CZ-CB 3.41Å; F108-A276 VanDerWaalsContact CZ-CB 3.41Å
109I97.9Very high96.7Very high16 Ų1658.5 Ų58.58%0.08233%0.325CS..BIsolated β-bridgetrans-119.7162.8-179.463.6170.2000112L105 R114 A115 T117 V138 F139 V186L105-I109 HydrophobicContact CD1-CG2 3.78Å; L105-I109 HydrophobicContact CG-CD1 4.07Å; L105-I109 HydrophobicContact CG-CG2 4.34Å; L105-I109 PolarHBondContact O-N 3.2Å; I109-R114 WeakPolarHBondContact O-CD 3.42Å; I109-A115 WeakPolarHBondContact CA-O 3.45Å; I109-A115 HydrophobicContact CG2-CB 4.17Å; I109-T117 HydrophobicContact CB-CG2 4.13Å; I109-T117 HydrophobicContact CD1-CG2 4.1Å; I109-V138 HydrophobicContact CD1-CG1 3.27Å; I109-F139 HydrophobicContact CG2-CZ 4.31Å; I109-V186 HydrophobicContact CG2-CG2 4.03Å
110G90.3Very high96.7Very high61 Ų6152 Ų5263%0.62930%0.295SS*.SBendtrans6952.5160.500000115A115G110-A115 PolarHBondContact N-O 3.39Å
111G89.5Confident96.7Very high35 Ų3551.5 Ų51.536%0.36129%0.291SS..SBendtrans-179.2175.3174.800000113.1G113 R114G111-G113 PolarHBondContact O-N 2.92Å; G111-R114 WeakPolarHBondContact O-CB 3.32Å; G111-R114 PolarHBondContact O-N 3.22Å; G111-R114 VanDerWaalsContact O-N 3.08Å
112P89.6Confident96.7Very high139 Ų13951.7 Ų51.790%0.90329%0.292SS*.THydrogen-bonded Turntrans-57.2127.4179.6-23.733.7000112R114P112-R114 PolarHBondContact O-N 2.64Å
113G90.4Very high96.7Very high66 Ų6647.5 Ų47.568%0.6828%0.276SS*.THydrogen-bonded Turntrans70.49.5-179.500000115.3G111G111-G113 PolarHBondContact O-N 2.92Å
114R95.8Very high96.7Very high125 Ų12543.4 Ų43.447%0.47226%0.264SS..SBendtrans-104.2166.6175.5-67-175.1-177.3176.20.9110.9K107 F108 I109 G111 P112 N215K107-R114 PolarHBondContact O-NE 3.32Å; F108-R114 WeakPolarHBondContact O-CB 3.27Å; I109-R114 WeakPolarHBondContact O-CD 3.42Å; G111-R114 WeakPolarHBondContact O-CB 3.32Å; G111-R114 PolarHBondContact O-N 3.22Å; G111-R114 VanDerWaalsContact O-N 3.08Å; P112-R114 PolarHBondContact O-N 2.64Å; R114-N215 WeakPolarHBondContact O-CB 3.45Å
115A97.6Very high96.7Very high2 Ų243.7 Ų43.72%0.01727%0.267CS..BIsolated β-bridgetrans-61.5147.6176.200000111.3F108 I109 G110 D185 V186 N215 V217F108-A115 WeakPolarHBondContact O-CB 3.21Å; F108-A115 PolarHBondContact O-N 2.82Å; I109-A115 WeakPolarHBondContact CA-O 3.45Å; I109-A115 HydrophobicContact CG2-CB 4.17Å; G110-A115 PolarHBondContact N-O 3.39Å; A115-D185 WeakPolarHBondContact CB-O 3.32Å; A115-V186 HydrophobicContact CB-CG2 4.31Å; A115-N215 VanDerWaalsContact CA-O 3.29Å; A115-N215 WeakPolarHBondContact CA-O 3.39Å; A115-N215 WeakPolarHBondContact CB-O 3.47Å; A115-N215 PolarHBondContact N-O 2.93Å; A115-V217 HydrophobicContact CB-CG1 4.47Å; A115-V217 HydrophobicContact CB-CG2 4.06Å
116G98.3Very high96.7Very high25 Ų2543.7 Ų43.726%0.25827%0.267SS..  trans-67.6-176.6171.700000112.4D185G116-D185 WeakPolarHBondContact CA-OD1 3.42Å; G116-D185 WeakPolarHBondContact O-CB 3.17Å
117T98.4Very high96.7Very high48 Ų4836.1 Ų36.129%0.29424%0.238SC..SBendtrans-132.130.3178.257.90000111.3I109 V138 F139 N140I109-T117 HydrophobicContact CB-CG2 4.13Å; I109-T117 HydrophobicContact CD1-CG2 4.1Å; T117-V138 HydrophobicContact CG2-CG1 4.03Å; T117-F139 VanDerWaalsContact O-CA 3.31Å; T117-F139 WeakPolarHBondContact O-CA 3.5Å; T117-N140 PolarHBondContact O-N 2.93Å; T117-N140 VanDerWaalsContact O-N 3.08Å
118D98.4Very high96.8Very high77 Ų7731.8 Ų31.841%0.41222%0.22SC..SBendtrans-84.6-62179.4-55.5-51.5000110.2N140 S141 D185 K213D118-N140 CarbonylContact O-C 3.5Å; D118-N140 WeakPolarHBondContact O-CA 3.26Å; D118-N140 VanDerWaalsContact O-CB 3.32Å; D118-N140 WeakPolarHBondContact O-CB 3.2Å; D118-N140 PolarHBondContact O-N 2.56Å; D118-N140 PolarHBondContact OD1-ND2 2.91Å; D118-S141 PolarHBondContact O-N 2.58Å; D118-D185 WeakPolarHBondContact CA-OD2 3.13Å; D118-D185 VanDerWaalsContact CB-OD2 3.25Å; D118-D185 WeakPolarHBondContact CB-OD2 3.44Å; D118-D185 PolarHBondContact N-OD2 3.01Å; D118-K213 IonicContact OD2-NZ 3.98Å; D118-K213 PolarHBondContact OD2-NZ 3.09Å
119C98.6Very high96.8Very high9 Ų930.9 Ų30.96%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-129.8134.8-171.3-168.80000112.1S141 D185 V186C119-S141 WeakPolarHBondContact CA-O 3.39Å; C119-D185 PolarHBondContact N-OD2 3.09Å; C119-D185 PolarHBondContact O-N 3.14Å; C119-V186 PolarHBondContact O-N 2.85Å
120A98.9Very high96.8Very high0 Ų030.6 Ų30.60%021%0.214CC..EExtended strand (participates in β ladder)trans-124.3151171.700000112.8L135 F139 S141 V142 E143 V186A120-L135 HydrophobicContact CB-CD1 4.36Å; A120-L135 HydrophobicContact CB-CD2 4.39Å; A120-F139 HydrophobicContact CB-CB 4.26Å; A120-F139 HydrophobicContact CB-CD1 3.89Å; A120-F139 HydrophobicContact CB-CD2 3.58Å; A120-F139 HydrophobicContact CB-CE1 4.17Å; A120-F139 HydrophobicContact CB-CE2 3.88Å; A120-F139 HydrophobicContact CB-CG 3.62Å; A120-F139 HydrophobicContact CB-CZ 4.19Å; A120-S141 PolarHBondContact N-O 2.76Å; A120-S141 VanDerWaalsContact N-O 3.07Å; A120-V142 CarbonylContact O-C 3.6Å; A120-V142 VanDerWaalsContact O-CA 3.29Å; A120-V142 WeakPolarHBondContact O-CA 3.45Å; A120-E143 PolarHBondContact O-N 3.3Å; A120-V186 CarbonylContact C-O 3.47Å; A120-V186 WeakPolarHBondContact CA-O 3.35Å; A120-V186 HydrophobicContact CB-CB 4.33Å
121L98.9Very high97.2Very high0 Ų027.7 Ų27.70%018%0.184CC..EExtended strand (participates in β ladder)trans-110.3129.2171.3-179.665.3000109.8C123 E143 V145 F177 P179 Y184 V186 I187 W188L121-C123 VanDerWaalsContact CD2-SG 3.55Å; L121-E143 CarbonylContact C-O 3.57Å; L121-E143 WeakPolarHBondContact CA-O 3.4Å; L121-E143 HydrophobicContact CD1-CB 3.96Å; L121-V145 HydrophobicContact CD1-CB 4.38Å; L121-V145 HydrophobicContact CD1-CG1 3.92Å; L121-V145 HydrophobicContact CD2-CG1 4.39Å; L121-V145 HydrophobicContact CG-CG1 4.26Å; L121-F177 HydrophobicContact CD1-CE1 4.48Å; L121-F177 HydrophobicContact CD2-CE1 3.79Å; L121-P179 HydrophobicContact CD2-CB 4.24Å; L121-P179 HydrophobicContact CD2-CG 4.2Å; L121-Y184 HydrophobicContact CB-CD1 3.68Å; L121-Y184 HydrophobicContact CB-CD2 4.14Å; L121-Y184 HydrophobicContact CB-CE1 3.71Å; L121-Y184 HydrophobicContact CB-CE2 4.16Å; L121-Y184 HydrophobicContact CB-CG 3.89Å; L121-Y184 HydrophobicContact CD1-CE1 4.28Å; L121-Y184 HydrophobicContact CD2-CD2 4.28Å; L121-Y184 HydrophobicContact CD2-CE2 3.87Å; L121-Y184 HydrophobicContact CG-CE1 4.43Å; L121-Y184 HydrophobicContact CG-CE2 4.46Å; L121-V186 PolarHBondContact N-O 3.27Å; L121-I187 HydrophobicContact CB-CG1 4.18Å; L121-I187 HydrophobicContact CB-CG2 4.41Å; L121-I187 HydrophobicContact CD2-CG1 4.4Å; L121-I187 HydrophobicContact CD2-CG2 4.11Å; L121-W188 PolarHBondContact O-N 2.79Å
122D98.9Very high97.7Very high3 Ų329.6 Ų29.62%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-101.8109.1172.1-163.71.8000109.1S131 L135 E143 L144 V145D122-S131 VanDerWaalsContact CB-OG 3.25Å; D122-S131 WeakPolarHBondContact CB-OG 3.47Å; D122-S131 WeakPolarHBondContact OD2-CB 3.2Å; D122-S131 PolarHBondContact OD2-N 2.84Å; D122-S131 PolarHBondContact OD2-OG 2.95Å; D122-L135 HydrophobicContact CB-CD1 3.8Å; D122-E143 PolarHBondContact N-O 3.27Å; D122-L144 HydrophobicContact CB-CG 4.41Å; D122-V145 PolarHBondContact O-N 2.89Å
123C98.9Very high98.1Very high0 Ų025.2 Ų25.20%015%0.15CC..EExtended strand (participates in β ladder)trans-98.3131.3-176.1-59.50000112L121 S125 V145 L174 W188 I189 F204L121-C123 VanDerWaalsContact CD2-SG 3.55Å; C123-S125 VanDerWaalsContact C-N 3.27Å; C123-V145 HydrophobicContact CB-CG1 4.02Å; C123-L174 HydrophobicContact CB-CD1 4.12Å; C123-L174 HydrophobicContact CB-CD2 4.07Å; C123-W188 WeakPolarHBondContact CB-O 3.29Å; C123-W188 PolarHBondContact N-O 3.3Å; C123-I189 HydrophobicContact CB-CG1 4.05Å; C123-F204 HydrophobicContact CB-CZ 4.35Å
124G98.8Very high98.5Very high21 Ų2122.1 Ų22.122%0.21612%0.118CC..THydrogen-bonded Turntrans63.942.1-167.500000109.7G126 V145 D146G124-G126 PolarHBondContact O-N 2.83Å; G124-V145 PolarHBondContact N-O 3.29Å; G124-D146 WeakPolarHBondContact CA-OD2 3.47Å
125S98.8Very high98.7Very high9 Ų916.1 Ų16.16%0.06310%0.095CC..  trans-64.6-23.5-166.457.60000113.3C123 I127 G128 L144 V145 D146C123-S125 VanDerWaalsContact C-N 3.27Å; S125-I127 PolarHBondContact O-N 2.81Å; S125-G128 WeakPolarHBondContact O-CA 3.19Å; S125-G128 PolarHBondContact O-N 3.06Å; S125-L144 WeakPolarHBondContact OG-CB 3.41Å; S125-V145 PolarHBondContact N-O 3.25Å; S125-D146 PolarHBondContact N-OD2 2.85Å; S125-D146 VanDerWaalsContact N-OD2 3.15Å
126G98.8Very high98.7Very high2 Ų216.1 Ų16.12%0.02110%0.095CC..THydrogen-bonded Turntrans50.2-129.9-164.400000110.1G124 G128 D146G124-G126 PolarHBondContact O-N 2.83Å; G126-G128 PolarHBondContact O-N 3.46Å; G126-D146 WeakPolarHBondContact CA-OD2 3.32Å; G126-D146 PolarHBondContact N-OD2 3.41Å
127I98.7Very high98.7Very high1 Ų117.9 Ų17.91%0.00510%0.102CC..THydrogen-bonded Turntrans-74.11.2176.869.6169.1000114A81 E83 M86 S125 F151 E154 A155 Y158A81-I127 HydrophobicContact CB-CG2 3.89Å; E83-I127 HydrophobicContact CG-CD1 4.41Å; M86-I127 HydrophobicContact CG-CD1 4.38Å; M86-I127 HydrophobicContact CG-CG1 3.86Å; M86-I127 HydrophobicContact SD-CG1 4.46Å; S125-I127 PolarHBondContact O-N 2.81Å; I127-F151 HydrophobicContact CG2-CB 4.26Å; I127-F151 HydrophobicContact CG2-CD1 4.37Å; I127-E154 HydrophobicContact CG2-CB 4.16Å; I127-E154 HydrophobicContact CG2-CG 4.04Å; I127-A155 WeakPolarHBondContact O-CA 3.41Å; I127-A155 VanDerWaalsContact O-CB 3.27Å; I127-A155 WeakPolarHBondContact O-CB 3.33Å; I127-Y158 HydrophobicContact CD1-CD1 4.21Å; I127-Y158 HydrophobicContact CD1-CD2 4.04Å; I127-Y158 HydrophobicContact CD1-CE1 4.28Å; I127-Y158 HydrophobicContact CD1-CE2 4.14Å; I127-Y158 HydrophobicContact CD1-CG 4.07Å; I127-Y158 HydrophobicContact CG1-CD1 4.22Å; I127-Y158 HydrophobicContact CG1-CE1 4.33Å; I127-Y158 HydrophobicContact CG1-CG 4.48Å; I127-Y158 WeakPolarHBondContact O-CD1 3.18Å
128G98.7Very high98.6Very high0 Ų017.8 Ų17.80%010%0.101CC..THydrogen-bonded Turntrans85.932.9-179.400000114.4S125 G126 V130 S131 K132S125-G128 WeakPolarHBondContact O-CA 3.19Å; S125-G128 PolarHBondContact O-N 3.06Å; G126-G128 PolarHBondContact O-N 3.46Å; G128-V130 VanDerWaalsContact C-N 3.32Å; G128-V130 PolarHBondContact O-N 3.15Å; G128-S131 WeakPolarHBondContact O-CB 3.31Å; G128-S131 PolarHBondContact O-N 2.93Å; G128-K132 WeakPolarHBondContact O-CB 3.46Å; G128-K132 PolarHBondContact O-N 3.32Å
129R98.8Very high98.7Very high9 Ų914.1 Ų14.13%0.0348%0.082CC..Hα-helixtrans-56.3-46176.7-172.6-16868.1839.6111.6E83 S94 D97 H133E83-R129 HydrophobicContact CG-CG 4.22Å; S94-R129 PolarHBondContact OG-NH1 3.24Å; S94-R129 VanDerWaalsContact OG-NH1 3.13Å; D97-R129 IonicContact OD2-CZ 3.68Å; D97-R129 IonicContact OD2-NH1 3.3Å; D97-R129 PolarHBondContact OD2-NH1 2.98Å; D97-R129 IonicContact OD2-NH2 3.76Å; D97-R129 PolarHBondContact OD2-NH2 3.46Å; R129-H133 PolarHBondContact O-CD2 3.01Å; R129-H133 VanDerWaalsContact O-CD2 3.29Å; R129-H133 PolarHBondContact O-N 3.15Å; R129-H133 VanDerWaalsContact O-N 3.14Å
130V98.8Very high98.6Very high10 Ų1018.3 Ų18.36%0.06110%0.104CC..Hα-helixtrans-68.8-44.9176.7176.30000110.4G128 K132 H133 V134 L135 W188G128-V130 VanDerWaalsContact C-N 3.32Å; G128-V130 PolarHBondContact O-N 3.15Å; V130-K132 VanDerWaalsContact C-N 3.35Å; V130-K132 PolarHBondContact O-N 2.83Å; V130-H133 PolarHBondContact O-N 2.97Å; V130-V134 HydrophobicContact CG1-CB 3.98Å; V130-V134 HydrophobicContact CG1-CG2 4.2Å; V130-V134 WeakPolarHBondContact O-CA 3.34Å; V130-V134 WeakPolarHBondContact O-CB 3.28Å; V130-V134 PolarHBondContact O-N 2.87Å; V130-L135 HydrophobicContact CG1-CD1 4.26Å; V130-L135 HydrophobicContact CG1-CG 4.15Å; V130-L135 PolarHBondContact O-N 3.41Å; V130-W188 HydrophobicContact CG1-CD2 4.22Å; V130-W188 HydrophobicContact CG1-CG 3.99Å
131S98.8Very high98.6Very high0 Ų018.9 Ų18.90%011%0.108CC..Iπ-helixtrans-49.5-52.3172-71.40000112.6D122 G128 L135 L136 V142D122-S131 VanDerWaalsContact CB-OG 3.25Å; D122-S131 WeakPolarHBondContact CB-OG 3.47Å; D122-S131 WeakPolarHBondContact OD2-CB 3.2Å; D122-S131 PolarHBondContact OD2-N 2.84Å; D122-S131 PolarHBondContact OD2-OG 2.95Å; G128-S131 WeakPolarHBondContact O-CB 3.31Å; G128-S131 PolarHBondContact O-N 2.93Å; S131-L135 PolarHBondContact O-N 3.18Å; S131-L136 VanDerWaalsContact O-CB 3.27Å; S131-L136 WeakPolarHBondContact O-CB 3.47Å; S131-L136 WeakPolarHBondContact O-CG 3.22Å; S131-L136 PolarHBondContact O-N 3.42Å; S131-V142 WeakPolarHBondContact OG-CG1 3.4Å
132K98.6Very high98.6Very high76 Ų7618.9 Ų18.933%0.3311%0.108SC..Iπ-helixtrans-60.2-50.9-179-166.8168.8-173.6161.20112.8G128 V130 Y158 L159G128-K132 WeakPolarHBondContact O-CB 3.46Å; G128-K132 PolarHBondContact O-N 3.32Å; V130-K132 VanDerWaalsContact C-N 3.35Å; V130-K132 PolarHBondContact O-N 2.83Å; K132-Y158 HydrophobicContact CB-CE1 3.82Å; K132-Y158 HydrophobicContact CD-CD1 3.96Å; K132-Y158 HydrophobicContact CD-CE1 3.32Å; K132-Y158 HydrophobicContact CD-CE2 3.94Å; K132-Y158 WeakPolarHBondContact CD-OH 3.41Å; K132-Y158 HydrophobicContact CG-CE1 4.24Å; K132-Y158 PolarHBondContact NZ-O 2.84Å; K132-L159 HydrophobicContact CB-CD2 3.51Å; K132-L159 HydrophobicContact CD-CD2 4.29Å; K132-L159 HydrophobicContact CG-CD2 4.05Å
133H98.6Very high98.6Very high47 Ų4718.8 Ų18.822%0.21811%0.107CC..Iπ-helixtrans-96.3-25.6-165.3-66.2-64000112.6E83 I98 R102 R129 V130 Y158E83-H133 IonicContact OE1-NE2 3Å; E83-H133 PolarHBondContact OE1-NE2 3.43Å; E83-H133 VanDerWaalsContact OE1-NE2 3.13Å; I98-H133 HydrophobicContact CB-CB 4.49Å; I98-H133 HydrophobicContact CD1-CB 3.55Å; I98-H133 HydrophobicContact CG1-CB 3.83Å; I98-H133 HydrophobicContact CG2-CB 3.81Å; R102-H133 PolarHBondContact NE-O 3.18Å; R102-H133 PolarHBondContact NH2-O 2.62Å; R129-H133 PolarHBondContact O-CD2 3.01Å; R129-H133 VanDerWaalsContact O-CD2 3.29Å; R129-H133 PolarHBondContact O-N 3.15Å; R129-H133 VanDerWaalsContact O-N 3.14Å; V130-H133 PolarHBondContact O-N 2.97Å; H133-Y158 PolarHBondContact NE2-OH 3.31Å
134V98.8Very high98.6Very high0 Ų018.8 Ų18.80%011%0.107CC..Iπ-helixtrans-111-49.1-176.2-175.40000111.7I98 R102 L105 V130 W188I98-V134 HydrophobicContact CG2-CG2 4.32Å; R102-V134 HydrophobicContact CG-CG1 4.47Å; L105-V134 HydrophobicContact CD2-CG1 3.96Å; V130-V134 HydrophobicContact CG1-CB 3.98Å; V130-V134 HydrophobicContact CG1-CG2 4.2Å; V130-V134 WeakPolarHBondContact O-CA 3.34Å; V130-V134 WeakPolarHBondContact O-CB 3.28Å; V130-V134 PolarHBondContact O-N 2.87Å; V134-W188 HydrophobicContact CG1-CH2 4.31Å; V134-W188 HydrophobicContact CG1-CZ3 4.32Å
135L98.8Very high98.6Very high0 Ų017.8 Ų17.80%010%0.096CC..Iπ-helixtrans-88.9-53.8-166.7-52.3176.1000113.4L105 A120 D122 V130 S131 P137 V138 F139 V142 W188L105-L135 HydrophobicContact CD2-CD2 4.5Å; A120-L135 HydrophobicContact CB-CD1 4.36Å; A120-L135 HydrophobicContact CB-CD2 4.39Å; D122-L135 HydrophobicContact CB-CD1 3.8Å; V130-L135 HydrophobicContact CG1-CD1 4.26Å; V130-L135 HydrophobicContact CG1-CG 4.15Å; V130-L135 PolarHBondContact O-N 3.41Å; S131-L135 PolarHBondContact O-N 3.18Å; L135-P137 VanDerWaalsContact C-N 3.3Å; L135-P137 VanDerWaalsContact O-N 3.17Å; L135-V138 WeakPolarHBondContact O-CA 3.48Å; L135-V138 PolarHBondContact O-N 3Å; L135-F139 HydrophobicContact CB-CD2 4.04Å; L135-F139 HydrophobicContact CD2-CD2 4.23Å; L135-F139 HydrophobicContact CD2-CE2 3.86Å; L135-F139 WeakPolarHBondContact O-CD2 3.48Å; L135-F139 PolarHBondContact O-N 3.31Å; L135-V142 HydrophobicContact CB-CG1 4.39Å; L135-V142 HydrophobicContact CB-CG2 3.78Å; L135-V142 HydrophobicContact CD1-CG1 4.11Å; L135-W188 HydrophobicContact CD1-CB 4.23Å; L135-W188 HydrophobicContact CD2-CB 4.34Å; L135-W188 HydrophobicContact CD2-CD2 4.44Å; L135-W188 HydrophobicContact CD2-CE3 4.17Å
136L98.5Very high98.6Very high2 Ų218 Ų181%0.0110%0.097CC..THydrogen-bonded Turntrans-58.5-26.1-178.4-74.1168000115.8S131 V138 V142 L159 K162 K165 V166S131-L136 VanDerWaalsContact O-CB 3.27Å; S131-L136 WeakPolarHBondContact O-CB 3.47Å; S131-L136 WeakPolarHBondContact O-CG 3.22Å; S131-L136 PolarHBondContact O-N 3.42Å; L136-V138 PolarHBondContact O-N 3.39Å; L136-V142 HydrophobicContact CD2-CB 4.07Å; L136-V142 HydrophobicContact CD2-CG2 3.72Å; L136-V142 HydrophobicContact CG-CB 4.42Å; L136-V142 HydrophobicContact CG-CG2 3.93Å; L136-L159 HydrophobicContact CD1-CD1 4.46Å; L136-L159 HydrophobicContact CD1-CD2 3.99Å; L136-K162 HydrophobicContact CB-CD 4.02Å; L136-K162 HydrophobicContact CD1-CB 4.23Å; L136-K162 HydrophobicContact CD2-CB 4.47Å; L136-K165 HydrophobicContact CD2-CB 3.71Å; L136-K165 PolarHBondContact O-NZ 3.17Å; L136-K165 VanDerWaalsContact O-NZ 3.07Å; L136-V166 HydrophobicContact CD1-CG2 4.32Å; L136-V166 HydrophobicContact CD2-CG2 4.27Å
137P97.7Very high98.6Very high62 Ų6220.1 Ų20.140%0.40311%0.107SC..THydrogen-bonded Turntrans-69.4-15.7169.3-22.935.7000114.8L135L135-P137 VanDerWaalsContact C-N 3.3Å; L135-P137 VanDerWaalsContact O-N 3.17Å
138V97.9Very high98.6Very high46 Ų4620.5 Ų20.528%0.27911%0.109SC..THydrogen-bonded Turntrans-116.4-47-170.5175.40000112.1L105 I109 T117 L135 L136L105-V138 HydrophobicContact CD2-CG2 4.49Å; I109-V138 HydrophobicContact CD1-CG1 3.27Å; T117-V138 HydrophobicContact CG2-CG1 4.03Å; L135-V138 WeakPolarHBondContact O-CA 3.48Å; L135-V138 PolarHBondContact O-N 3Å; L136-V138 PolarHBondContact O-N 3.39Å
139F98.5Very high98.6Very high0 Ų027.7 Ų27.70%014%0.142CC..  trans-91.6150.2-173.4-62.3-85.5000112.1L105 I109 T117 A120 L135 S141 V142 K165 D185 V186L105-F139 HydrophobicContact CD1-CZ 4.37Å; L105-F139 HydrophobicContact CD2-CE2 3.99Å; L105-F139 HydrophobicContact CD2-CZ 4.46Å; I109-F139 HydrophobicContact CG2-CZ 4.31Å; T117-F139 VanDerWaalsContact O-CA 3.31Å; T117-F139 WeakPolarHBondContact O-CA 3.5Å; A120-F139 HydrophobicContact CB-CB 4.26Å; A120-F139 HydrophobicContact CB-CD1 3.89Å; A120-F139 HydrophobicContact CB-CD2 3.58Å; A120-F139 HydrophobicContact CB-CE1 4.17Å; A120-F139 HydrophobicContact CB-CE2 3.88Å; A120-F139 HydrophobicContact CB-CG 3.62Å; A120-F139 HydrophobicContact CB-CZ 4.19Å; L135-F139 HydrophobicContact CB-CD2 4.04Å; L135-F139 HydrophobicContact CD2-CD2 4.23Å; L135-F139 HydrophobicContact CD2-CE2 3.86Å; L135-F139 WeakPolarHBondContact O-CD2 3.48Å; L135-F139 PolarHBondContact O-N 3.31Å; F139-S141 WeakPolarHBondContact CB-O 3.31Å; F139-V142 HydrophobicContact CB-CG2 4.34Å; F139-K165 VanDerWaalsContact O-CE 3.25Å; F139-K165 WeakPolarHBondContact O-CE 3.34Å; F139-K165 PolarHBondContact O-NZ 3.02Å; F139-D185 HydrophobicContact CE1-CB 4.21Å; F139-V186 HydrophobicContact CE1-CB 3.97Å; F139-V186 HydrophobicContact CE1-CG2 3.78Å; F139-V186 HydrophobicContact CE2-CB 4.36Å; F139-V186 HydrophobicContact CE2-CG2 4.5Å; F139-V186 HydrophobicContact CZ-CB 3.59Å; F139-V186 HydrophobicContact CZ-CG1 4.34Å; F139-V186 HydrophobicContact CZ-CG2 3.42Å; F139-V186 VanDerWaalsContact CZ-CG2 3.42Å
140N98.1Very high98.6Very high97 Ų9730 Ų3052%0.51916%0.16SC..SBendtrans-67.9-38.5175.5-65.4-27.9000111.5T117 D118 K165T117-N140 PolarHBondContact O-N 2.93Å; T117-N140 VanDerWaalsContact O-N 3.08Å; D118-N140 CarbonylContact O-C 3.5Å; D118-N140 WeakPolarHBondContact O-CA 3.26Å; D118-N140 VanDerWaalsContact O-CB 3.32Å; D118-N140 WeakPolarHBondContact O-CB 3.2Å; D118-N140 PolarHBondContact O-N 2.56Å; D118-N140 PolarHBondContact OD1-ND2 2.91Å; N140-K165 WeakPolarHBondContact O-CE 3.26Å
141S98.6Very high98.6Very high12 Ų1229.7 Ų29.78%0.08416%0.158CC..EExtended strand (participates in β ladder)trans-138.1155.9171.960.60000113D118 C119 A120 F139 K165 E167D118-S141 PolarHBondContact O-N 2.58Å; C119-S141 WeakPolarHBondContact CA-O 3.39Å; A120-S141 PolarHBondContact N-O 2.76Å; A120-S141 VanDerWaalsContact N-O 3.07Å; F139-S141 WeakPolarHBondContact CB-O 3.31Å; S141-K165 CarbonylContact C-O 3.55Å; S141-K165 WeakPolarHBondContact CA-O 3.46Å; S141-E167 WeakPolarHBondContact CB-OE1 3.42Å; S141-E167 PolarHBondContact OG-OE1 3.03Å
142V98.8Very high98.5Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-132142175.2-177.60000109.2A120 S131 L135 L136 F139 L144 K165 V166 E167A120-V142 CarbonylContact O-C 3.6Å; A120-V142 VanDerWaalsContact O-CA 3.29Å; A120-V142 WeakPolarHBondContact O-CA 3.45Å; S131-V142 WeakPolarHBondContact OG-CG1 3.4Å; L135-V142 HydrophobicContact CB-CG1 4.39Å; L135-V142 HydrophobicContact CB-CG2 3.78Å; L135-V142 HydrophobicContact CD1-CG1 4.11Å; L136-V142 HydrophobicContact CD2-CB 4.07Å; L136-V142 HydrophobicContact CD2-CG2 3.72Å; L136-V142 HydrophobicContact CG-CB 4.42Å; L136-V142 HydrophobicContact CG-CG2 3.93Å; F139-V142 HydrophobicContact CB-CG2 4.34Å; V142-L144 HydrophobicContact CG1-CD1 4.12Å; V142-K165 PolarHBondContact N-O 2.87Å; V142-V166 CarbonylContact O-C 3.5Å; V142-V166 VanDerWaalsContact O-CA 3.29Å; V142-V166 WeakPolarHBondContact O-CA 3.28Å; V142-E167 PolarHBondContact O-N 3.32Å
143E98.8Very high98.5Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-115.7147.5167.5-65.9-179-162.100109.8A120 L121 D122 E167 S168 H170 R183 Y184A120-E143 PolarHBondContact O-N 3.3Å; L121-E143 CarbonylContact C-O 3.57Å; L121-E143 WeakPolarHBondContact CA-O 3.4Å; L121-E143 HydrophobicContact CD1-CB 3.96Å; D122-E143 PolarHBondContact N-O 3.27Å; E143-E167 HydrophobicContact CG-CB 3.94Å; E143-S168 WeakPolarHBondContact CA-O 3.43Å; E143-H170 IonicContact OE2-CD2 2.83Å; E143-H170 IonicContact OE2-CE1 2.89Å; E143-H170 IonicContact OE2-NE2 2.73Å; E143-H170 PolarHBondContact OE2-NE2 3.08Å; E143-R183 IonicContact OE1-CZ 2.85Å; E143-R183 IonicContact OE1-NE 2.85Å; E143-R183 PolarHBondContact OE1-NE 3.44Å; E143-R183 IonicContact OE1-NH1 3.86Å; E143-R183 PolarHBondContact OE1-NH1 3.4Å; E143-R183 IonicContact OE1-NH2 3.3Å; E143-R183 PolarHBondContact OE1-NH2 3.15Å; E143-Y184 HydrophobicContact CB-CE1 4.25Å; E143-Y184 HydrophobicContact CG-CE1 4.32Å; E143-Y184 PolarHBondContact OE2-OH 3.31Å
144L98.9Very high98.5Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-112.7141.1179.3-78.575.3000108.9D122 S125 V142 L152 A155 L159 V166 S168 Y169 H170D122-L144 HydrophobicContact CB-CG 4.41Å; S125-L144 WeakPolarHBondContact OG-CB 3.41Å; V142-L144 HydrophobicContact CG1-CD1 4.12Å; L144-L152 HydrophobicContact CB-CD2 4.01Å; L144-A155 HydrophobicContact CD2-CB 3.9Å; L144-L159 HydrophobicContact CD1-CD1 4.21Å; L144-L159 HydrophobicContact CD2-CD1 4.02Å; L144-V166 HydrophobicContact CD1-CG1 3.62Å; L144-S168 PolarHBondContact N-O 3.13Å; L144-Y169 HydrophobicContact CB-CD1 4.28Å; L144-Y169 HydrophobicContact CD2-CD1 4.22Å; L144-Y169 HydrophobicContact CD2-CE1 4.12Å; L144-H170 WeakPolarHBondContact O-CB 3.34Å; L144-H170 PolarHBondContact O-CD2 3.5Å; L144-H170 VanDerWaalsContact O-CD2 3.3Å; L144-H170 PolarHBondContact O-N 3.31Å
145V98.9Very high98.5Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-131.5125.1166.559.60000110.1L121 D122 C123 G124 S125 H170 L174 F177L121-V145 HydrophobicContact CD1-CB 4.38Å; L121-V145 HydrophobicContact CD1-CG1 3.92Å; L121-V145 HydrophobicContact CD2-CG1 4.39Å; L121-V145 HydrophobicContact CG-CG1 4.26Å; D122-V145 PolarHBondContact O-N 2.89Å; C123-V145 HydrophobicContact CB-CG1 4.02Å; G124-V145 PolarHBondContact N-O 3.29Å; S125-V145 PolarHBondContact N-O 3.25Å; V145-H170 VanDerWaalsContact CA-O 3.31Å; V145-H170 WeakPolarHBondContact CA-O 3.42Å; V145-H170 HydrophobicContact CB-CB 3.9Å; V145-H170 HydrophobicContact CG2-CB 3.93Å; V145-H170 WeakPolarHBondContact CG2-O 3.24Å; V145-L174 HydrophobicContact CG1-CD2 3.74Å; V145-L174 HydrophobicContact CG2-CD2 4.02Å; V145-F177 HydrophobicContact CB-CD1 4.39Å; V145-F177 HydrophobicContact CB-CE1 4.26Å; V145-F177 HydrophobicContact CB-CE2 4.5Å; V145-F177 HydrophobicContact CB-CZ 4.3Å; V145-F177 HydrophobicContact CG1-CD1 4.14Å; V145-F177 HydrophobicContact CG1-CE1 4.06Å; V145-F177 HydrophobicContact CG2-CB 4.24Å; V145-F177 HydrophobicContact CG2-CD1 3.96Å; V145-F177 HydrophobicContact CG2-CD2 3.8Å; V145-F177 HydrophobicContact CG2-CE1 4.25Å; V145-F177 HydrophobicContact CG2-CE2 4.09Å; V145-F177 HydrophobicContact CG2-CG 3.73Å; V145-F177 HydrophobicContact CG2-CZ 4.31Å
146D98.9Very high98.4Very high15 Ų1537 Ų378%0.0820%0.197CC..EExtended strand (participates in β ladder)trans-148.5154.8177.1-155.9-79.8000110.5G124 S125 G126 M148 L152 H170 C171 Y172G124-D146 WeakPolarHBondContact CA-OD2 3.47Å; S125-D146 PolarHBondContact N-OD2 2.85Å; S125-D146 VanDerWaalsContact N-OD2 3.15Å; G126-D146 WeakPolarHBondContact CA-OD2 3.32Å; G126-D146 PolarHBondContact N-OD2 3.41Å; D146-M148 VanDerWaalsContact C-N 3.31Å; D146-M148 WeakPolarHBondContact OD1-CB 3.38Å; D146-M148 PolarHBondContact OD1-N 3.01Å; D146-L152 HydrophobicContact CB-CD1 4.29Å; D146-L152 HydrophobicContact CB-CD2 3.8Å; D146-L152 HydrophobicContact CB-CG 3.96Å; D146-H170 PolarHBondContact N-O 2.86Å; D146-H170 VanDerWaalsContact N-O 3.09Å; D146-C171 CarbonylContact O-C 3.55Å; D146-C171 VanDerWaalsContact O-CA 3.31Å; D146-C171 WeakPolarHBondContact O-CA 3.48Å; D146-Y172 CarbonylContact C-O 3.55Å; D146-Y172 VanDerWaalsContact C-O 3.31Å; D146-Y172 PolarHBondContact O-N 2.89Å
147M98.3Very high98.4Very high46 Ų4641.1 Ų41.123%0.22722%0.219CC..SBendtrans-80.4-15.5176.669.2176.6-179.400112.8K73 Y76 Y172K73-M147 HydrophobicContact CB-SD 4.45Å; Y76-M147 HydrophobicContact CD2-CE 3.51Å; Y76-M147 HydrophobicContact CE2-CE 4.28Å; Y76-M147 HydrophobicContact CG-CE 4.19Å; M147-Y172 PolarHBondContact N-O 3.41Å
148M98.5Very high98.4Very high9 Ų939.7 Ų39.74%0.04421%0.205CC..  trans-100.4104.3-173.6-59.3-53.1-58.700111.3K73 Q77 D146 S150 F151 L152K73-M148 HydrophobicContact CG-SD 4.26Å; Q77-M148 HydrophobicContact CB-CE 4.4Å; Q77-M148 HydrophobicContact CG-CE 3.76Å; D146-M148 VanDerWaalsContact C-N 3.31Å; D146-M148 WeakPolarHBondContact OD1-CB 3.38Å; D146-M148 PolarHBondContact OD1-N 3.01Å; M148-S150 PolarHBondContact O-N 3.05Å; M148-F151 HydrophobicContact CB-CB 4.02Å; M148-F151 HydrophobicContact CB-CD2 3.33Å; M148-F151 HydrophobicContact CB-CE2 3.83Å; M148-F151 HydrophobicContact CB-CG 3.72Å; M148-F151 HydrophobicContact CG-CD2 3.61Å; M148-F151 HydrophobicContact CG-CE2 3.61Å; M148-F151 HydrophobicContact CG-CG 4.43Å; M148-F151 HydrophobicContact CG-CZ 4.43Å; M148-F151 PolarHBondContact O-N 3.42Å; M148-F151 VanDerWaalsContact O-N 3.09Å; M148-L152 PolarHBondContact O-N 3.22Å; M148-L152 VanDerWaalsContact O-N 3.14Å
149E98.4Very high98.4Very high150 Ų15037.8 Ų37.870%0.70119%0.193SC*.Hα-helixtrans-55.9-39175.3-175.4176.5-167.600112.2F151 L152 L153E149-F151 VanDerWaalsContact C-N 3.3Å; E149-F151 PolarHBondContact O-N 2.97Å; E149-L152 PolarHBondContact O-N 3.03Å; E149-L153 WeakPolarHBondContact O-CB 3.38Å; E149-L153 PolarHBondContact O-N 2.86Å
150S98.4Very high98.1Very high59 Ų5944.8 Ų44.841%0.41323%0.226SC..Hα-helixtrans-58.7-39.9176.851.20000112.6M148 E154M148-S150 PolarHBondContact O-N 3.05Å; S150-E154 PolarHBondContact O-N 3.39Å; S150-E154 VanDerWaalsContact O-N 3.13Å
151F98.8Very high97.6Very high3 Ų346.2 Ų46.21%0.01324%0.238CC..Hα-helixtrans-72.9-41.1178.1-63.1-20000112.1Y76 V79 A81 M86 I127 M148 E149 L153 E154 A155Y76-F151 AromaticContact CD1-CE2 3.8Å; Y76-F151 HydrophobicContact CD1-CE2 3.8Å; Y76-F151 HydrophobicContact CD1-CZ 4.09Å; Y76-F151 HydrophobicContact CG-CE2 4.25Å; Y76-F151 WeakPolarHBondContact O-CZ 3.06Å; V79-F151 HydrophobicContact CB-CZ 4.04Å; V79-F151 HydrophobicContact CG1-CZ 4.06Å; V79-F151 WeakPolarHBondContact O-CE1 3.43Å; A81-F151 HydrophobicContact CB-CD1 3.84Å; A81-F151 HydrophobicContact CB-CE1 4.24Å; M86-F151 HydrophobicContact CE-CD1 4.17Å; M86-F151 HydrophobicContact CE-CD2 4.12Å; M86-F151 HydrophobicContact CE-CE1 3.85Å; M86-F151 HydrophobicContact CE-CE2 3.78Å; M86-F151 HydrophobicContact CE-CG 4.33Å; M86-F151 HydrophobicContact CE-CZ 3.66Å; M86-F151 HydrophobicContact SD-CD2 4.49Å; I127-F151 HydrophobicContact CG2-CB 4.26Å; I127-F151 HydrophobicContact CG2-CD1 4.37Å; M148-F151 HydrophobicContact CB-CB 4.02Å; M148-F151 HydrophobicContact CB-CD2 3.33Å; M148-F151 HydrophobicContact CB-CE2 3.83Å; M148-F151 HydrophobicContact CB-CG 3.72Å; M148-F151 HydrophobicContact CG-CD2 3.61Å; M148-F151 HydrophobicContact CG-CE2 3.61Å; M148-F151 HydrophobicContact CG-CG 4.43Å; M148-F151 HydrophobicContact CG-CZ 4.43Å; M148-F151 PolarHBondContact O-N 3.42Å; M148-F151 VanDerWaalsContact O-N 3.09Å; E149-F151 VanDerWaalsContact C-N 3.3Å; E149-F151 PolarHBondContact O-N 2.97Å; F151-L153 VanDerWaalsContact C-N 3.31Å; F151-L153 PolarHBondContact O-N 3.35Å; F151-E154 PolarHBondContact O-N 3.11Å; F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 3.04Å
152L98.7Very high97Very high7 Ų749.4 Ų49.44%0.03725%0.25CS..Hα-helixtrans-66.4-34.4176.8-65.8176.5000112.2L144 D146 M148 E149 A155 Y169 H170 C171L144-L152 HydrophobicContact CB-CD2 4.01Å; D146-L152 HydrophobicContact CB-CD1 4.29Å; D146-L152 HydrophobicContact CB-CD2 3.8Å; D146-L152 HydrophobicContact CB-CG 3.96Å; M148-L152 PolarHBondContact O-N 3.22Å; M148-L152 VanDerWaalsContact O-N 3.14Å; E149-L152 PolarHBondContact O-N 3.03Å; L152-A155 WeakPolarHBondContact O-CB 3.29Å; L152-A155 PolarHBondContact O-N 3.5Å; L152-Y169 HydrophobicContact CB-CD1 4.46Å; L152-Y169 HydrophobicContact CD2-CD1 4.25Å; L152-H170 WeakPolarHBondContact CD1-O 3.41Å; L152-C171 HydrophobicContact CD1-CB 3.79Å
153L98.3Very high96Very high108 Ų10850.5 Ų50.557%0.56526%0.262SS*.Hα-helixtrans-65.2-46.4173.3-175.463.2000110.9E149 F151 A155 Q156E149-L153 WeakPolarHBondContact O-CB 3.38Å; E149-L153 PolarHBondContact O-N 2.86Å; F151-L153 VanDerWaalsContact C-N 3.31Å; F151-L153 PolarHBondContact O-N 3.35Å; L153-A155 VanDerWaalsContact C-N 3.29Å; L153-A155 PolarHBondContact O-N 3.39Å; L153-Q156 WeakPolarHBondContact O-CB 3.4Å; L153-Q156 PolarHBondContact O-N 3.15Å
154E98.6Very high95.6Very high64 Ų6457.3 Ų57.330%0.29930%0.298SS..Hα-helixtrans-67.9-29.8176.5-178.951.6-152.500112.6A81 I127 S150 F151 Q156 N157 Y158A81-E154 HydrophobicContact CB-CB 3.74Å; A81-E154 HydrophobicContact CB-CG 3.77Å; A81-E154 WeakPolarHBondContact O-CG 3.45Å; I127-E154 HydrophobicContact CG2-CB 4.16Å; I127-E154 HydrophobicContact CG2-CG 4.04Å; S150-E154 PolarHBondContact O-N 3.39Å; S150-E154 VanDerWaalsContact O-N 3.13Å; F151-E154 PolarHBondContact O-N 3.11Å; E154-Q156 PolarHBondContact O-N 3.33Å; E154-N157 WeakPolarHBondContact O-CB 3.25Å; E154-N157 PolarHBondContact O-N 3.49Å; E154-N157 PolarHBondContact OE2-ND2 3.01Å; E154-Y158 WeakPolarHBondContact O-CB 3.37Å; E154-Y158 PolarHBondContact O-N 3.32Å
155A98.5Very high95.4Very high0 Ų060 Ų600%031%0.31CS..Hα-helixtrans-57.1-34.1174.700000112.1I127 L144 F151 L152 L153 N157 Y158 L159 Y169I127-A155 WeakPolarHBondContact O-CA 3.41Å; I127-A155 VanDerWaalsContact O-CB 3.27Å; I127-A155 WeakPolarHBondContact O-CB 3.33Å; L144-A155 HydrophobicContact CD2-CB 3.9Å; F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 3.04Å; L152-A155 WeakPolarHBondContact O-CB 3.29Å; L152-A155 PolarHBondContact O-N 3.5Å; L153-A155 VanDerWaalsContact C-N 3.29Å; L153-A155 PolarHBondContact O-N 3.39Å; A155-N157 VanDerWaalsContact C-N 3.32Å; A155-N157 PolarHBondContact O-N 3.02Å; A155-Y158 PolarHBondContact O-N 3.4Å; A155-L159 HydrophobicContact CB-CD1 4.48Å; A155-L159 WeakPolarHBondContact O-CB 3.33Å; A155-L159 VanDerWaalsContact O-CG 3.24Å; A155-L159 WeakPolarHBondContact O-CG 3.24Å; A155-L159 PolarHBondContact O-N 3.06Å; A155-Y169 HydrophobicContact CB-CD1 4.24Å; A155-Y169 HydrophobicContact CB-CE1 3.75Å
156Q97.3Very high95.4Very high97 Ų9760.6 Ų60.645%0.45331%0.314SS..Hα-helixtrans-61.5-41.1176-61.8178.731.400111.8L153 E154 Q160 Y169L153-Q156 WeakPolarHBondContact O-CB 3.4Å; L153-Q156 PolarHBondContact O-N 3.15Å; E154-Q156 PolarHBondContact O-N 3.33Å; Q156-Q160 PolarHBondContact O-N 3.01Å; Q156-Y169 HydrophobicContact CG-CD2 4.37Å; Q156-Y169 HydrophobicContact CG-CE1 4.02Å; Q156-Y169 HydrophobicContact CG-CE2 3.87Å
157N97.3Very high95.3Very high89 Ų8964.5 Ų64.548%0.47633%0.332SS..Hα-helixtrans-71.8-48.6176-60.7-35.7000110.8E154 A155 L159 Q160E154-N157 WeakPolarHBondContact O-CB 3.25Å; E154-N157 PolarHBondContact O-N 3.49Å; E154-N157 PolarHBondContact OE2-ND2 3.01Å; A155-N157 VanDerWaalsContact C-N 3.32Å; A155-N157 PolarHBondContact O-N 3.02Å; N157-L159 VanDerWaalsContact C-N 3.28Å; N157-L159 PolarHBondContact O-N 2.86Å; N157-Q160 WeakPolarHBondContact O-CB 3.44Å; N157-Q160 WeakPolarHBondContact O-CG 3.18Å; N157-Q160 PolarHBondContact O-N 2.8Å
158Y98.1Very high95.3Very high32 Ų3264 Ų6413%0.12533%0.332CS..Hα-helixtrans-65.7-30.5-174.7177.1-102.7000113E83 I127 K132 H133 E154 A155E83-Y158 HydrophobicContact CG-CE2 3.96Å; E83-Y158 WeakPolarHBondContact CG-OH 3.27Å; E83-Y158 PolarHBondContact OE1-OH 2.69Å; I127-Y158 HydrophobicContact CD1-CD1 4.21Å; I127-Y158 HydrophobicContact CD1-CD2 4.04Å; I127-Y158 HydrophobicContact CD1-CE1 4.28Å; I127-Y158 HydrophobicContact CD1-CE2 4.14Å; I127-Y158 HydrophobicContact CD1-CG 4.07Å; I127-Y158 HydrophobicContact CG1-CD1 4.22Å; I127-Y158 HydrophobicContact CG1-CE1 4.33Å; I127-Y158 HydrophobicContact CG1-CG 4.48Å; I127-Y158 WeakPolarHBondContact O-CD1 3.18Å; K132-Y158 HydrophobicContact CB-CE1 3.82Å; K132-Y158 HydrophobicContact CD-CD1 3.96Å; K132-Y158 HydrophobicContact CD-CE1 3.32Å; K132-Y158 HydrophobicContact CD-CE2 3.94Å; K132-Y158 WeakPolarHBondContact CD-OH 3.41Å; K132-Y158 HydrophobicContact CG-CE1 4.24Å; K132-Y158 PolarHBondContact NZ-O 2.84Å; H133-Y158 PolarHBondContact NE2-OH 3.31Å; E154-Y158 WeakPolarHBondContact O-CB 3.37Å; E154-Y158 PolarHBondContact O-N 3.32Å; A155-Y158 PolarHBondContact O-N 3.4Å
159L97.7Very high95.3Very high5 Ų566.7 Ų66.73%0.02634%0.343CS..THydrogen-bonded Turntrans-97.90.9178.6-58.4-179.8000114.3K132 L136 L144 A155 N157 V161 K162 G163 V166K132-L159 HydrophobicContact CB-CD2 3.51Å; K132-L159 HydrophobicContact CD-CD2 4.29Å; K132-L159 HydrophobicContact CG-CD2 4.05Å; L136-L159 HydrophobicContact CD1-CD1 4.46Å; L136-L159 HydrophobicContact CD1-CD2 3.99Å; L144-L159 HydrophobicContact CD1-CD1 4.21Å; L144-L159 HydrophobicContact CD2-CD1 4.02Å; A155-L159 HydrophobicContact CB-CD1 4.48Å; A155-L159 WeakPolarHBondContact O-CB 3.33Å; A155-L159 VanDerWaalsContact O-CG 3.24Å; A155-L159 WeakPolarHBondContact O-CG 3.24Å; A155-L159 PolarHBondContact O-N 3.06Å; N157-L159 VanDerWaalsContact C-N 3.28Å; N157-L159 PolarHBondContact O-N 2.86Å; L159-V161 PolarHBondContact O-N 2.98Å; L159-K162 CarbonylContact O-C 3.51Å; L159-K162 PolarHBondContact O-N 2.85Å; L159-G163 PolarHBondContact O-N 3.03Å; L159-V166 HydrophobicContact CB-CG2 4.37Å; L159-V166 HydrophobicContact CD1-CG2 3.92Å
160Q92.4Very high95.3Very high147 Ų14761.1 Ų61.169%0.68732%0.317SS*.G310 helixtrans-46.1-36.5-169.967.1-175.9-2600115.6Q156 N157 K162 G163Q156-Q160 PolarHBondContact O-N 3.01Å; N157-Q160 WeakPolarHBondContact O-CB 3.44Å; N157-Q160 WeakPolarHBondContact O-CG 3.18Å; N157-Q160 PolarHBondContact O-N 2.8Å; Q160-K162 PolarHBondContact O-N 2.83Å; Q160-G163 PolarHBondContact O-N 3.09Å; Q160-G163 VanDerWaalsContact O-N 3.15Å
161V88Confident95.3Very high127 Ų12761.3 Ų61.377%0.7732%0.317SS*.G310 helixtrans-61.8-27.6-178.5178.20000112.5L159L159-V161 PolarHBondContact O-N 2.98Å
162K86.1Confident95.3Very high79 Ų7967.1 Ų67.134%0.34334%0.34SS..G310 helixtrans-128.227.6175.4-64.9-173.9173.8-175.50110.9L136 L159 Q160 D164 K165L136-K162 HydrophobicContact CB-CD 4.02Å; L136-K162 HydrophobicContact CD1-CB 4.23Å; L136-K162 HydrophobicContact CD2-CB 4.47Å; L159-K162 CarbonylContact O-C 3.51Å; L159-K162 PolarHBondContact O-N 2.85Å; Q160-K162 PolarHBondContact O-N 2.83Å; K162-D164 VanDerWaalsContact C-OD1 3.24Å; K162-D164 WeakPolarHBondContact CA-OD1 3.47Å; K162-D164 PolarHBondContact O-N 2.9Å; K162-K165 WeakPolarHBondContact O-CB 3.42Å; K162-K165 PolarHBondContact O-N 2.86Å
163G76.6Confident95.3Very high23 Ų2367.9 Ų67.924%0.23735%0.346CS..G310 helixtrans-64.9-27.1-174.400000112.6L159 Q160 K165 V166L159-G163 PolarHBondContact O-N 3.03Å; Q160-G163 PolarHBondContact O-N 3.09Å; Q160-G163 VanDerWaalsContact O-N 3.15Å; G163-K165 PolarHBondContact O-N 3.37Å; G163-V166 PolarHBondContact O-N 2.98Å
164D90.1Very high95.3Very high144 Ų14463.2 Ų63.277%0.7732%0.321SS*.G310 helixtrans-61.6-25.2172.863.5-45.3000113.3K162K162-D164 VanDerWaalsContact C-OD1 3.24Å; K162-D164 WeakPolarHBondContact CA-OD1 3.47Å; K162-D164 PolarHBondContact O-N 2.9Å
165K96.1Very high95.3Very high55 Ų5562 Ų6224%0.23932%0.316CS..G310 helixtrans-88.5-4.1175.2-59.7-175.868.9-1750113.2L136 F139 N140 S141 V142 K162 G163L136-K165 HydrophobicContact CD2-CB 3.71Å; L136-K165 PolarHBondContact O-NZ 3.17Å; L136-K165 VanDerWaalsContact O-NZ 3.07Å; F139-K165 VanDerWaalsContact O-CE 3.25Å; F139-K165 WeakPolarHBondContact O-CE 3.34Å; F139-K165 PolarHBondContact O-NZ 3.02Å; N140-K165 WeakPolarHBondContact O-CE 3.26Å; S141-K165 CarbonylContact C-O 3.55Å; S141-K165 WeakPolarHBondContact CA-O 3.46Å; V142-K165 PolarHBondContact N-O 2.87Å; K162-K165 WeakPolarHBondContact O-CB 3.42Å; K162-K165 PolarHBondContact O-N 2.86Å; G163-K165 PolarHBondContact O-N 3.37Å
166V97.7Very high95.3Very high14 Ų1468.5 Ų68.59%0.08535%0.346CS..EExtended strand (participates in β ladder)trans-93.9104.7175.6-174.10000108.8L136 V142 L144 L159 G163 Y169L136-V166 HydrophobicContact CD1-CG2 4.32Å; L136-V166 HydrophobicContact CD2-CG2 4.27Å; V142-V166 CarbonylContact O-C 3.5Å; V142-V166 VanDerWaalsContact O-CA 3.29Å; V142-V166 WeakPolarHBondContact O-CA 3.28Å; L144-V166 HydrophobicContact CD1-CG1 3.62Å; L159-V166 HydrophobicContact CB-CG2 4.37Å; L159-V166 HydrophobicContact CD1-CG2 3.92Å; G163-V166 PolarHBondContact O-N 2.98Å; V166-Y169 HydrophobicContact CB-CE2 4.28Å; V166-Y169 HydrophobicContact CG1-CD2 4.3Å; V166-Y169 HydrophobicContact CG1-CE1 3.87Å; V166-Y169 HydrophobicContact CG1-CE2 3.62Å; V166-Y169 WeakPolarHBondContact CG1-OH 3.18Å
167E97.1Very high95.3Very high97 Ų9764.3 Ų64.345%0.45333%0.326SS..EExtended strand (participates in β ladder)trans-76-34.7-172-86.6-178.1-150.100113.1S141 V142 E143 R183S141-E167 WeakPolarHBondContact CB-OE1 3.42Å; S141-E167 PolarHBondContact OG-OE1 3.03Å; V142-E167 PolarHBondContact O-N 3.32Å; E143-E167 HydrophobicContact CG-CB 3.94Å; E167-R183 IonicContact OE2-CZ 3.13Å; E167-R183 IonicContact OE2-NH2 2.64Å; E167-R183 PolarHBondContact OE2-NH2 3.37Å
168S97.8Very high95.4Very high35 Ų3564.5 Ų64.525%0.24533%0.331CS..EExtended strand (participates in β ladder)trans-157.4146.6-173.4-65.80000112.4E143 L144 H170E143-S168 WeakPolarHBondContact CA-O 3.43Å; L144-S168 PolarHBondContact N-O 3.13Å; S168-H170 WeakPolarHBondContact CB-NE2 3.32Å
169Y98.6Very high95.4Very high65 Ų6563.1 Ų63.126%0.25533%0.326SS..EExtended strand (participates in β ladder)trans-117.8104.4171.6-60.4-95.8000108L144 L152 A155 Q156 V166L144-Y169 HydrophobicContact CB-CD1 4.28Å; L144-Y169 HydrophobicContact CD2-CD1 4.22Å; L144-Y169 HydrophobicContact CD2-CE1 4.12Å; L152-Y169 HydrophobicContact CB-CD1 4.46Å; L152-Y169 HydrophobicContact CD2-CD1 4.25Å; A155-Y169 HydrophobicContact CB-CD1 4.24Å; A155-Y169 HydrophobicContact CB-CE1 3.75Å; Q156-Y169 HydrophobicContact CG-CD2 4.37Å; Q156-Y169 HydrophobicContact CG-CE1 4.02Å; Q156-Y169 HydrophobicContact CG-CE2 3.87Å; V166-Y169 HydrophobicContact CB-CE2 4.28Å; V166-Y169 HydrophobicContact CG1-CD2 4.3Å; V166-Y169 HydrophobicContact CG1-CE1 3.87Å; V166-Y169 HydrophobicContact CG1-CE2 3.62Å; V166-Y169 WeakPolarHBondContact CG1-OH 3.18Å
170H98.7Very high95.5Very high34 Ų3465.1 Ų65.116%0.15734%0.339CS..EExtended strand (participates in β ladder)trans-94.7106.9-175.5-59.5-68.5000109.8E143 L144 V145 D146 L152 S168 Y172 F177E143-H170 IonicContact OE2-CD2 2.83Å; E143-H170 IonicContact OE2-CE1 2.89Å; E143-H170 IonicContact OE2-NE2 2.73Å; E143-H170 PolarHBondContact OE2-NE2 3.08Å; L144-H170 WeakPolarHBondContact O-CB 3.34Å; L144-H170 PolarHBondContact O-CD2 3.5Å; L144-H170 VanDerWaalsContact O-CD2 3.3Å; L144-H170 PolarHBondContact O-N 3.31Å; V145-H170 VanDerWaalsContact CA-O 3.31Å; V145-H170 WeakPolarHBondContact CA-O 3.42Å; V145-H170 HydrophobicContact CB-CB 3.9Å; V145-H170 HydrophobicContact CG2-CB 3.93Å; V145-H170 WeakPolarHBondContact CG2-O 3.24Å; D146-H170 PolarHBondContact N-O 2.86Å; D146-H170 VanDerWaalsContact N-O 3.09Å; L152-H170 WeakPolarHBondContact CD1-O 3.41Å; S168-H170 WeakPolarHBondContact CB-NE2 3.32Å; H170-Y172 HydrophobicContact CB-CD2 3.98Å; H170-Y172 PolarHBondContact O-N 3.49Å; H170-Y172 VanDerWaalsContact O-N 3.09Å; H170-F177 HydrophobicContact CB-CE2 3.85Å; H170-F177 HydrophobicContact CB-CZ 4.41Å; H170-F177 AromaticContact CG-CE2 3.87Å
171C98.7Very high95.7Very high63 Ų6365.7 Ų65.743%0.42634%0.34SS..EExtended strand (participates in β ladder)trans-83.481.9176.6-1650000110.6D146 L152D146-C171 CarbonylContact O-C 3.55Å; D146-C171 VanDerWaalsContact O-CA 3.31Å; D146-C171 WeakPolarHBondContact O-CA 3.48Å; L152-C171 HydrophobicContact CD1-CB 3.79Å
172Y98.6Very high96.2Very high125 Ų12565.9 Ų65.949%0.4933%0.326SS..  trans-142.8142.2-178.4-70.1-89.2000111.3D146 M147 H170 F177D146-Y172 CarbonylContact C-O 3.55Å; D146-Y172 VanDerWaalsContact C-O 3.31Å; D146-Y172 PolarHBondContact O-N 2.89Å; M147-Y172 PolarHBondContact N-O 3.41Å; H170-Y172 HydrophobicContact CB-CD2 3.98Å; H170-Y172 PolarHBondContact O-N 3.49Å; H170-Y172 VanDerWaalsContact O-N 3.09Å; Y172-F177 AromaticContact CD2-CD2 3.99Å; Y172-F177 HydrophobicContact CD2-CD2 3.99Å; Y172-F177 HydrophobicContact CD2-CE2 4.39Å; Y172-F177 HydrophobicContact CG-CD2 4.02Å
173S98.5Very high96.8Very high23 Ų2366.5 Ų66.516%0.16133%0.326CS..  trans-70.3140.1164.1-45.30000110Q175 E176 F177S173-Q175 VanDerWaalsContact C-N 3.25Å; S173-Q175 VanDerWaalsContact CB-CD 3.44Å; S173-Q175 PolarHBondContact O-N 2.79Å; S173-E176 PolarHBondContact O-N 2.89Å; S173-F177 PolarHBondContact O-N 3.15Å
174L98.8Very high97.9Very high9 Ų965.4 Ų65.45%0.04732%0.315CS..THydrogen-bonded Turntrans-63.2-29.9-172-59.4-176000113.2C123 V145 E176 F177 V192 L196 F204 R207C123-L174 HydrophobicContact CB-CD1 4.12Å; C123-L174 HydrophobicContact CB-CD2 4.07Å; V145-L174 HydrophobicContact CG1-CD2 3.74Å; V145-L174 HydrophobicContact CG2-CD2 4.02Å; L174-E176 PolarHBondContact O-N 3.35Å; L174-F177 PolarHBondContact O-N 3.41Å; L174-V192 HydrophobicContact CD1-CB 4.33Å; L174-V192 HydrophobicContact CD1-CG1 3.62Å; L174-V192 HydrophobicContact CD1-CG2 3.73Å; L174-L196 HydrophobicContact CB-CD1 4.14Å; L174-L196 HydrophobicContact CB-CD2 4.17Å; L174-F204 HydrophobicContact CB-CD1 4.34Å; L174-F204 HydrophobicContact CB-CD2 4.18Å; L174-F204 HydrophobicContact CB-CE1 4.19Å; L174-F204 HydrophobicContact CB-CE2 4.04Å; L174-F204 HydrophobicContact CB-CG 4.33Å; L174-F204 HydrophobicContact CB-CZ 4.04Å; L174-F204 HydrophobicContact CD1-CD1 4.48Å; L174-F204 HydrophobicContact CD1-CE1 3.87Å; L174-F204 HydrophobicContact CD1-CZ 4.1Å; L174-F204 HydrophobicContact CD2-CE1 4.41Å; L174-F204 HydrophobicContact CD2-CE2 4.2Å; L174-F204 HydrophobicContact CD2-CZ 3.8Å; L174-F204 HydrophobicContact CG-CE1 4.39Å; L174-F204 HydrophobicContact CG-CZ 4.2Å; L174-F204 WeakPolarHBondContact O-CD2 3.26Å; L174-R207 PolarHBondContact O-NH2 2.53Å
175Q98.3Very high98.3Very high39 Ų3958.7 Ų58.718%0.18228%0.28CS..THydrogen-bonded Turntrans-63.5-23.5175.171.9-75.16.800113Y69 S173 L196 D200 R207Y69-Q175 HydrophobicContact CE1-CG 4.4Å; Y69-Q175 HydrophobicContact CE2-CG 4.19Å; S173-Q175 VanDerWaalsContact C-N 3.25Å; S173-Q175 VanDerWaalsContact CB-CD 3.44Å; S173-Q175 PolarHBondContact O-N 2.79Å; Q175-L196 HydrophobicContact CB-CD2 3.96Å; Q175-D200 HydrophobicContact CB-CB 3.79Å; Q175-R207 PolarHBondContact O-NH2 2.81Å
176E98.2Very high98.4Very high136 Ų13656.1 Ų56.164%0.63627%0.268SS*.THydrogen-bonded Turntrans-104.1-15.6178.1-65.3171.4165.300112.9S173 L174S173-E176 PolarHBondContact O-N 2.89Å; L174-E176 PolarHBondContact O-N 3.35Å
177F98.8Very high98.5Very high10 Ų1055.4 Ų55.44%0.04426%0.264CS..  trans-78.1134-178.6-173.4-112.6000112.4L121 V145 H170 Y172 S173 L174 P179 F204 R207L121-F177 HydrophobicContact CD1-CE1 4.48Å; L121-F177 HydrophobicContact CD2-CE1 3.79Å; V145-F177 HydrophobicContact CB-CD1 4.39Å; V145-F177 HydrophobicContact CB-CE1 4.26Å; V145-F177 HydrophobicContact CB-CE2 4.5Å; V145-F177 HydrophobicContact CB-CZ 4.3Å; V145-F177 HydrophobicContact CG1-CD1 4.14Å; V145-F177 HydrophobicContact CG1-CE1 4.06Å; V145-F177 HydrophobicContact CG2-CB 4.24Å; V145-F177 HydrophobicContact CG2-CD1 3.96Å; V145-F177 HydrophobicContact CG2-CD2 3.8Å; V145-F177 HydrophobicContact CG2-CE1 4.25Å; V145-F177 HydrophobicContact CG2-CE2 4.09Å; V145-F177 HydrophobicContact CG2-CG 3.73Å; V145-F177 HydrophobicContact CG2-CZ 4.31Å; H170-F177 HydrophobicContact CB-CE2 3.85Å; H170-F177 HydrophobicContact CB-CZ 4.41Å; H170-F177 AromaticContact CG-CE2 3.87Å; Y172-F177 AromaticContact CD2-CD2 3.99Å; Y172-F177 HydrophobicContact CD2-CD2 3.99Å; Y172-F177 HydrophobicContact CD2-CE2 4.39Å; Y172-F177 HydrophobicContact CG-CD2 4.02Å; S173-F177 PolarHBondContact O-N 3.15Å; L174-F177 PolarHBondContact O-N 3.41Å; F177-P179 HydrophobicContact CD1-CG 3.95Å; F177-P179 HydrophobicContact CE1-CB 4.12Å; F177-P179 HydrophobicContact CE1-CG 3.75Å; F177-F204 HydrophobicContact CD1-CE2 4.13Å; F177-R207 VanDerWaalsContact O-CZ 3.26Å; F177-R207 PolarHBondContact O-NE 2.77Å; F177-R207 PolarHBondContact O-NH2 3.44Å
178T98.7Very high98.6Very high92 Ų9250.8 Ų50.856%0.56424%0.242SC*.  trans-116.8107.1170.6-60.30000108.8R207T178-R207 WeakPolarHBondContact OG1-CD 3.48Å
179P98.5Very high98.6Very high4 Ų449.2 Ų49.23%0.02623%0.231CC..PPolyproline II helixtrans-53.7130.3173.2-26.235.3000110.6L121 F177 F181 Y184 I187 F204L121-P179 HydrophobicContact CD2-CB 4.24Å; L121-P179 HydrophobicContact CD2-CG 4.2Å; F177-P179 HydrophobicContact CD1-CG 3.95Å; F177-P179 HydrophobicContact CE1-CB 4.12Å; F177-P179 HydrophobicContact CE1-CG 3.75Å; P179-F181 PolarHBondContact O-N 2.72Å; P179-Y184 HydrophobicContact CB-CD2 4.3Å; P179-Y184 HydrophobicContact CB-CE2 3.84Å; P179-I187 HydrophobicContact CB-CD1 4.46Å; P179-F204 HydrophobicContact CG-CE2 4.4Å
180P98.4Very high98.6Very high46 Ų4646.6 Ų46.630%0.29922%0.221SC..PPolyproline II helixtrans-49.4135174.5-30.434.3000112.5R182 R183 Y184 G211P180-R182 PolarHBondContact O-N 2.88Å; P180-R183 HydrophobicContact CB-CB 4.03Å; P180-R183 WeakPolarHBondContact O-CB 3.11Å; P180-R183 PolarHBondContact O-N 3.24Å; P180-Y184 WeakPolarHBondContact CD-OH 3.49Å; P180-G211 WeakPolarHBondContact O-CA 3.17Å
181F98.4Very high98.6Very high160 Ų16047.7 Ų47.770%0.70222%0.224SC*.THydrogen-bonded Turntrans-55.4125.9-174.3-178.1-108.4000111.8P179 R183 D210P179-F181 PolarHBondContact O-N 2.72Å; F181-R183 VanDerWaalsContact C-N 3.28Å; F181-R183 PolarHBondContact O-N 3.47Å; F181-D210 HydrophobicContact CD2-CB 4.37Å; F181-D210 VanDerWaalsContact CD2-O 3.28Å; F181-D210 WeakPolarHBondContact CD2-O 3.31Å
182R98.1Very high98.6Very high131 Ų13145.7 Ų45.749%0.49421%0.21SC..THydrogen-bonded Turntrans48.741.4176.9-55.7-17474.8175.10.8115P180 D210 G211 L212 K213P180-R182 PolarHBondContact O-N 2.88Å; R182-D210 PolarHBondContact N-O 3.24Å; R182-G211 CarbonylContact C-O 3.58Å; R182-G211 WeakPolarHBondContact CA-O 3.42Å; R182-L212 WeakPolarHBondContact CA-O 3.45Å; R182-L212 WeakPolarHBondContact CG-O 3.36Å; R182-K213 WeakPolarHBondContact O-CG 3.39Å
183R98.5Very high98.6Very high91 Ų9140 Ų4034%0.34319%0.188SC..  trans-92.9-34.4-179.4-172.2167-166.2167-0.6114.2E143 E167 P180 F181 G211 K213E143-R183 IonicContact OE1-CZ 2.85Å; E143-R183 IonicContact OE1-NE 2.85Å; E143-R183 PolarHBondContact OE1-NE 3.44Å; E143-R183 IonicContact OE1-NH1 3.86Å; E143-R183 PolarHBondContact OE1-NH1 3.4Å; E143-R183 IonicContact OE1-NH2 3.3Å; E143-R183 PolarHBondContact OE1-NH2 3.15Å; E167-R183 IonicContact OE2-CZ 3.13Å; E167-R183 IonicContact OE2-NH2 2.64Å; E167-R183 PolarHBondContact OE2-NH2 3.37Å; P180-R183 HydrophobicContact CB-CB 4.03Å; P180-R183 WeakPolarHBondContact O-CB 3.11Å; P180-R183 PolarHBondContact O-N 3.24Å; F181-R183 VanDerWaalsContact C-N 3.28Å; F181-R183 PolarHBondContact O-N 3.47Å; R183-G211 PolarHBondContact N-O 2.77Å; R183-K213 VanDerWaalsContact O-CD 3.25Å; R183-K213 WeakPolarHBondContact O-CD 3.43Å
184Y98.8Very high98.6Very high0 Ų039.2 Ų39.20%018%0.184CC..EExtended strand (participates in β ladder)trans-106.9134-164.2-53-70.8000112.8L121 E143 P179 P180 I187 G211 L212 K213L121-Y184 HydrophobicContact CB-CD1 3.68Å; L121-Y184 HydrophobicContact CB-CD2 4.14Å; L121-Y184 HydrophobicContact CB-CE1 3.71Å; L121-Y184 HydrophobicContact CB-CE2 4.16Å; L121-Y184 HydrophobicContact CB-CG 3.89Å; L121-Y184 HydrophobicContact CD1-CE1 4.28Å; L121-Y184 HydrophobicContact CD2-CD2 4.28Å; L121-Y184 HydrophobicContact CD2-CE2 3.87Å; L121-Y184 HydrophobicContact CG-CE1 4.43Å; L121-Y184 HydrophobicContact CG-CE2 4.46Å; E143-Y184 HydrophobicContact CB-CE1 4.25Å; E143-Y184 HydrophobicContact CG-CE1 4.32Å; E143-Y184 PolarHBondContact OE2-OH 3.31Å; P179-Y184 HydrophobicContact CB-CD2 4.3Å; P179-Y184 HydrophobicContact CB-CE2 3.84Å; P180-Y184 WeakPolarHBondContact CD-OH 3.49Å; Y184-I187 HydrophobicContact CD2-CD1 4Å; Y184-I187 HydrophobicContact CD2-CG1 3.96Å; Y184-I187 HydrophobicContact CG-CG1 4.05Å; Y184-G211 PolarHBondContact N-O 2.83Å; Y184-L212 CarbonylContact O-C 3.54Å; Y184-L212 WeakPolarHBondContact O-CA 3.43Å; Y184-K213 PolarHBondContact O-N 2.82Å
185D98.8Very high98.6Very high4 Ų439.7 Ų39.72%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-74-37166.4-61.4-65.4000110.4A115 G116 D118 C119 F139 K213 G216 V217A115-D185 WeakPolarHBondContact CB-O 3.32Å; G116-D185 WeakPolarHBondContact CA-OD1 3.42Å; G116-D185 WeakPolarHBondContact O-CB 3.17Å; D118-D185 WeakPolarHBondContact CA-OD2 3.13Å; D118-D185 VanDerWaalsContact CB-OD2 3.25Å; D118-D185 WeakPolarHBondContact CB-OD2 3.44Å; D118-D185 PolarHBondContact N-OD2 3.01Å; C119-D185 PolarHBondContact N-OD2 3.09Å; C119-D185 PolarHBondContact O-N 3.14Å; F139-D185 HydrophobicContact CE1-CB 4.21Å; D185-K213 VanDerWaalsContact CG-NZ 3.34Å; D185-K213 WeakPolarHBondContact OD1-CD 3.45Å; D185-K213 VanDerWaalsContact OD1-CE 3.3Å; D185-K213 WeakPolarHBondContact OD1-CE 3.41Å; D185-K213 IonicContact OD1-NZ 2.76Å; D185-K213 PolarHBondContact OD1-NZ 3.47Å; D185-K213 IonicContact OD2-NZ 2.93Å; D185-K213 PolarHBondContact OD2-NZ 3.23Å; D185-G216 CarbonylContact O-C 3.58Å; D185-G216 WeakPolarHBondContact O-CA 3.37Å; D185-V217 PolarHBondContact O-N 3.07Å
186V98.9Very high98.7Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-134133.2174.2173.90000111.6L105 I109 A115 C119 A120 L121 F139 W188 V217 I219L105-V186 HydrophobicContact CD1-CG1 4.32Å; L105-V186 HydrophobicContact CD1-CG2 4.15Å; I109-V186 HydrophobicContact CG2-CG2 4.03Å; A115-V186 HydrophobicContact CB-CG2 4.31Å; C119-V186 PolarHBondContact O-N 2.85Å; A120-V186 CarbonylContact C-O 3.47Å; A120-V186 WeakPolarHBondContact CA-O 3.35Å; A120-V186 HydrophobicContact CB-CB 4.33Å; L121-V186 PolarHBondContact N-O 3.27Å; F139-V186 HydrophobicContact CE1-CB 3.97Å; F139-V186 HydrophobicContact CE1-CG2 3.78Å; F139-V186 HydrophobicContact CE2-CB 4.36Å; F139-V186 HydrophobicContact CE2-CG2 4.5Å; F139-V186 HydrophobicContact CZ-CB 3.59Å; F139-V186 HydrophobicContact CZ-CG1 4.34Å; F139-V186 HydrophobicContact CZ-CG2 3.42Å; F139-V186 VanDerWaalsContact CZ-CG2 3.42Å; V186-W188 HydrophobicContact CG1-CE3 4.44Å; V186-V217 VanDerWaalsContact CA-O 3.28Å; V186-V217 WeakPolarHBondContact CA-O 3.46Å; V186-V217 HydrophobicContact CG2-CG2 3.8Å; V186-I219 HydrophobicContact CG1-CG1 4.12Å
187I98.9Very high98.7Very high0 Ų031.5 Ų31.50%015%0.148CC..EExtended strand (participates in β ladder)trans-110.3117.1165.8-61.4174.5000107.4L121 P179 Y184 I189 C208 L212 V217 I218 I219L121-I187 HydrophobicContact CB-CG1 4.18Å; L121-I187 HydrophobicContact CB-CG2 4.41Å; L121-I187 HydrophobicContact CD2-CG1 4.4Å; L121-I187 HydrophobicContact CD2-CG2 4.11Å; P179-I187 HydrophobicContact CB-CD1 4.46Å; Y184-I187 HydrophobicContact CD2-CD1 4Å; Y184-I187 HydrophobicContact CD2-CG1 3.96Å; Y184-I187 HydrophobicContact CG-CG1 4.05Å; I187-I189 HydrophobicContact CG2-CD1 4.44Å; I187-I189 HydrophobicContact CG2-CG1 4.13Å; I187-C208 HydrophobicContact CD1-CB 3.85Å; I187-C208 VanDerWaalsContact CD1-O 3.24Å; I187-C208 WeakPolarHBondContact CD1-O 3.39Å; I187-C208 HydrophobicContact CG2-CB 4.46Å; I187-L212 HydrophobicContact CD1-CD2 3.88Å; I187-L212 HydrophobicContact CD1-CG 4.41Å; I187-L212 HydrophobicContact CG1-CD2 3.95Å; I187-V217 PolarHBondContact N-O 3.09Å; I187-I218 HydrophobicContact CB-CG1 4.09Å; I187-I218 HydrophobicContact CD1-CG1 4.5Å; I187-I218 CarbonylContact O-C 3.55Å; I187-I218 VanDerWaalsContact O-CA 3.28Å; I187-I218 WeakPolarHBondContact O-CA 3.36Å; I187-I219 PolarHBondContact O-N 3.27Å
188W98.9Very high98.7Very high0 Ų031 Ų310%015%0.146CC..EExtended strand (participates in β ladder)trans-101.7125.4-179.1-165-81.2000110.2S101 L105 L121 C123 V130 V134 L135 V186 I219 K221S101-W188 WeakPolarHBondContact OG-CZ2 3.38Å; L105-W188 HydrophobicContact CB-CZ3 4.12Å; L105-W188 HydrophobicContact CD1-CZ3 4.21Å; L105-W188 HydrophobicContact CD2-CZ3 4.47Å; L105-W188 HydrophobicContact CG-CZ3 4.49Å; L121-W188 PolarHBondContact O-N 2.79Å; C123-W188 WeakPolarHBondContact CB-O 3.29Å; C123-W188 PolarHBondContact N-O 3.3Å; V130-W188 HydrophobicContact CG1-CD2 4.22Å; V130-W188 HydrophobicContact CG1-CG 3.99Å; V134-W188 HydrophobicContact CG1-CH2 4.31Å; V134-W188 HydrophobicContact CG1-CZ3 4.32Å; L135-W188 HydrophobicContact CD1-CB 4.23Å; L135-W188 HydrophobicContact CD2-CB 4.34Å; L135-W188 HydrophobicContact CD2-CD2 4.44Å; L135-W188 HydrophobicContact CD2-CE3 4.17Å; V186-W188 HydrophobicContact CG1-CE3 4.44Å; W188-I219 HydrophobicContact CD2-CB 4.04Å; W188-I219 HydrophobicContact CD2-CG2 4.08Å; W188-I219 HydrophobicContact CE3-CB 3.49Å; W188-I219 VanDerWaalsContact CE3-CB 3.49Å; W188-I219 HydrophobicContact CE3-CG1 3.8Å; W188-I219 HydrophobicContact CE3-CG2 3.65Å; W188-I219 HydrophobicContact CH2-CB 4.35Å; W188-I219 HydrophobicContact CH2-CG2 3.57Å; W188-I219 HydrophobicContact CZ2-CG2 4.01Å; W188-I219 HydrophobicContact CZ3-CB 3.68Å; W188-I219 HydrophobicContact CZ3-CG1 3.78Å; W188-I219 HydrophobicContact CZ3-CG2 3.39Å; W188-K221 HydrophobicContact CZ2-CD 4.3Å
189I98.9Very high98.7Very high1 Ų131.2 Ų31.21%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-125.8104.5-178.8-52171.8000106.8C123 I187 V192 F204 L205 I218 I219 L220 K221C123-I189 HydrophobicContact CB-CG1 4.05Å; I187-I189 HydrophobicContact CG2-CD1 4.44Å; I187-I189 HydrophobicContact CG2-CG1 4.13Å; I189-V192 HydrophobicContact CG2-CG1 3.52Å; I189-F204 HydrophobicContact CD1-CD1 4.38Å; I189-F204 HydrophobicContact CD1-CE1 3.84Å; I189-F204 HydrophobicContact CG1-CE1 4.33Å; I189-L205 HydrophobicContact CD1-CD2 3.93Å; I189-I218 HydrophobicContact CD1-CG2 3.68Å; I189-I218 HydrophobicContact CG1-CG2 4.28Å; I189-I219 PolarHBondContact N-O 3.14Å; I189-L220 HydrophobicContact CB-CD1 4.02Å; I189-L220 HydrophobicContact CG2-CD1 3.86Å; I189-L220 WeakPolarHBondContact O-CA 3.45Å; I189-K221 PolarHBondContact O-N 3.49Å
190Q98.9Very high98.7Very high10 Ų1032.4 Ų32.45%0.04715%0.145CC..EExtended strand (participates in β ladder)trans-127127.9-176.8175.9166.2-9.200112.9D97 V192 K221D97-Q190 VanDerWaalsContact CG-NE2 3.32Å; D97-Q190 PolarHBondContact OD1-NE2 3.36Å; D97-Q190 PolarHBondContact OD2-NE2 2.85Å; Q190-V192 PolarHBondContact O-N 2.8Å; Q190-V192 VanDerWaalsContact O-N 3.15Å; Q190-K221 WeakPolarHBondContact CA-O 3.22Å; Q190-K221 HydrophobicContact CB-CB 4.25Å; Q190-K221 HydrophobicContact CG-CB 4.18Å; Q190-K221 HydrophobicContact CG-CG 4.4Å
191W98.8Very high98.7Very high58 Ų5830.2 Ų30.222%0.2213%0.131CC..SBendtrans49.237.5178.5-64.4-46.6000114.8M87 D97 K221 F265M87-W191 HydrophobicContact CE-CH2 3.72Å; M87-W191 HydrophobicContact CE-CZ3 3.94Å; M87-W191 HydrophobicContact SD-CH2 3.96Å; M87-W191 HydrophobicContact SD-CZ3 3.53Å; M87-W191 VanDerWaalsContact SD-CZ3 3.53Å; D97-W191 HydrophobicContact CB-CH2 4.21Å; W191-K221 PolarHBondContact N-O 3.15Å; W191-F265 HydrophobicContact CZ2-CE2 4.4Å; W191-F265 HydrophobicContact CZ2-CZ 4.42Å
192V98.8Very high98.8Very high20 Ų2024.7 Ų24.712%0.12111%0.108CC..  trans-134.1-14.5178.471.30000112.3L174 I189 Q190 G194 H195 D222L174-V192 HydrophobicContact CD1-CB 4.33Å; L174-V192 HydrophobicContact CD1-CG1 3.62Å; L174-V192 HydrophobicContact CD1-CG2 3.73Å; I189-V192 HydrophobicContact CG2-CG1 3.52Å; Q190-V192 PolarHBondContact O-N 2.8Å; Q190-V192 VanDerWaalsContact O-N 3.15Å; V192-G194 PolarHBondContact O-N 2.68Å; V192-H195 PolarHBondContact O-N 3.17Å; V192-D222 PolarHBondContact N-OD2 3.43Å
193S98.7Very high98.8Very high6 Ų619.9 Ų19.94%0.04210%0.097CC..G310 helixtrans-66.9-27.1-178.577.70000112.1H195 L196 D222 R240S193-H195 PolarHBondContact O-N 2.78Å; S193-L196 PolarHBondContact O-N 3.19Å; S193-D222 VanDerWaalsContact CB-OD2 3.32Å; S193-D222 WeakPolarHBondContact CB-OD2 3.5Å; S193-D222 PolarHBondContact N-OD2 3.37Å; S193-D222 PolarHBondContact OG-OD2 3.34Å; S193-R240 PolarHBondContact O-NH1 3.43Å
194G98.6Very high98.8Very high7 Ų715.6 Ų15.67%0.0728%0.08CC..G310 helixtrans-65.5-20.9172.800000114.2V192 L196 S237 V238V192-G194 PolarHBondContact O-N 2.68Å; G194-L196 VanDerWaalsContact C-N 3.31Å; G194-S237 CarbonylContact O-C 3.59Å; G194-S237 WeakPolarHBondContact O-CA 3.49Å; G194-V238 WeakPolarHBondContact CA-O 3.44Å; G194-V238 WeakPolarHBondContact O-CG2 3.29Å; G194-V238 PolarHBondContact O-N 2.95Å
195H98.8Very high98.8Very high18 Ų1815.6 Ų15.68%0.0838%0.08CC..G310 helixtrans-870.4176-68.4-68.4000113.6F68 Y69 Y76 V192 S193 D235 S236 S237F68-H195 WeakPolarHBondContact CE1-O 3.46Å; Y69-H195 WeakPolarHBondContact CE1-O 3.32Å; Y76-H195 AromaticContact CE2-CE1 3.69Å; Y76-H195 AromaticContact CE2-NE2 3.53Å; Y76-H195 AromaticContact CZ-NE2 3.82Å; Y76-H195 PolarHBondContact OH-NE2 2.88Å; V192-H195 PolarHBondContact O-N 3.17Å; S193-H195 PolarHBondContact O-N 2.78Å; H195-D235 PolarHBondContact CE1-O 2.8Å; H195-S236 PolarHBondContact ND1-O 3.35Å; H195-S237 VanDerWaalsContact CE1-CB 3.46Å; H195-S237 WeakPolarHBondContact CE1-CB 3.25Å
196L98.8Very high98.8Very high4 Ų416.6 Ų16.62%0.0219%0.088CC..SBendtrans-103143.5173.9-64.8178.9000110.5Y69 L174 Q175 S193 G194 D200 L201 F204 R240Y69-L196 HydrophobicContact CE1-CD2 4.17Å; L174-L196 HydrophobicContact CB-CD1 4.14Å; L174-L196 HydrophobicContact CB-CD2 4.17Å; Q175-L196 HydrophobicContact CB-CD2 3.96Å; S193-L196 PolarHBondContact O-N 3.19Å; G194-L196 VanDerWaalsContact C-N 3.31Å; L196-D200 HydrophobicContact CD2-CB 4.4Å; L196-L201 HydrophobicContact CB-CB 3.91Å; L196-L201 HydrophobicContact CD1-CB 4.37Å; L196-L201 HydrophobicContact CD1-CD1 4.06Å; L196-F204 HydrophobicContact CD1-CB 4.11Å; L196-F204 HydrophobicContact CD1-CD1 4.01Å; L196-F204 HydrophobicContact CD1-CG 4.26Å; L196-R240 PolarHBondContact O-NH1 2.91Å; L196-R240 PolarHBondContact O-NH2 3.14Å
197T98.8Very high98.8Very high0 Ų019.1 Ų19.10%010%0.097CC..  trans-61.9165.9166.872.20000110.4D37 F38 M66 F68 Y69 K199 D200 L201 R240D37-T197 HydrophobicContact CB-CG2 4.15Å; D37-T197 WeakPolarHBondContact O-CB 3.41Å; F38-T197 HydrophobicContact CE1-CG2 4.45Å; F38-T197 HydrophobicContact CE2-CG2 3.72Å; F38-T197 HydrophobicContact CZ-CG2 3.68Å; M66-T197 HydrophobicContact SD-CG2 3.95Å; F68-T197 HydrophobicContact CD1-CG2 4.05Å; F68-T197 HydrophobicContact CE1-CG2 4.36Å; Y69-T197 HydrophobicContact CE2-CG2 4.21Å; Y69-T197 WeakPolarHBondContact OH-CG2 3Å; Y69-T197 PolarHBondContact OH-N 3.43Å; T197-K199 PolarHBondContact O-N 3.26Å; T197-D200 PolarHBondContact O-N 2.8Å; T197-D200 WeakPolarHBondContact OG1-CB 3.15Å; T197-D200 PolarHBondContact OG1-N 3Å; T197-D200 PolarHBondContact OG1-OD2 3.09Å; T197-L201 VanDerWaalsContact O-CB 3.29Å; T197-L201 WeakPolarHBondContact O-CB 3.35Å; T197-L201 PolarHBondContact O-N 3.2Å; T197-R240 VanDerWaalsContact C-NH2 3.27Å; T197-R240 PolarHBondContact O-NH2 3.43Å
198D98.8Very high98.8Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-61.3-39176.3-67.9-10.1000111.3D37 F38 F39 Q40 S41 L202 R240 L248D37-D198 WeakPolarHBondContact O-CA 3.36Å; D37-D198 WeakPolarHBondContact O-CB 3.41Å; D37-D198 PolarHBondContact O-N 3.3Å; F38-D198 WeakPolarHBondContact CA-OD2 3.48Å; F39-D198 HydrophobicContact CD1-CB 3.94Å; F39-D198 HydrophobicContact CE1-CB 3.71Å; F39-D198 HydrophobicContact CZ-CB 4.13Å; F39-D198 PolarHBondContact N-OD2 3.04Å; Q40-D198 WeakPolarHBondContact CA-OD2 3.33Å; Q40-D198 WeakPolarHBondContact CB-OD2 3.34Å; Q40-D198 PolarHBondContact N-OD2 3.26Å; S41-D198 VanDerWaalsContact CB-OD2 3.32Å; S41-D198 WeakPolarHBondContact CB-OD2 3.25Å; S41-D198 PolarHBondContact N-OD2 2.83Å; S41-D198 PolarHBondContact OG-OD1 3.4Å; S41-D198 PolarHBondContact OG-OD2 3.36Å; S41-D198 VanDerWaalsContact OG-OD2 3.06Å; D198-L202 WeakPolarHBondContact O-CB 3.41Å; D198-L202 PolarHBondContact O-N 3.34Å; D198-L202 VanDerWaalsContact O-N 3.09Å; D198-R240 IonicContact OD1-CZ 2.83Å; D198-R240 VanDerWaalsContact OD1-CZ 3.3Å; D198-R240 IonicContact OD1-NE 3.13Å; D198-R240 PolarHBondContact OD1-NE 3.13Å; D198-R240 IonicContact OD1-NH2 2.62Å; D198-R240 PolarHBondContact OD1-NH2 3.29Å; D198-L248 HydrophobicContact CB-CD1 4.29Å; D198-L248 HydrophobicContact CB-CD2 3.98Å
199K98.7Very high98.8Very high96 Ų9622.2 Ų22.242%0.41711%0.109SC..Hα-helixtrans-61.2-48.8176.1179-176.7166.4-166.20111.3D37 T197 L202 A203D37-K199 PolarHBondContact O-N 3.47Å; T197-K199 PolarHBondContact O-N 3.26Å; K199-L202 PolarHBondContact O-N 3.21Å; K199-A203 WeakPolarHBondContact O-CB 3.29Å; K199-A203 PolarHBondContact O-N 2.83Å
200D98.8Very high98.7Very high29 Ų2925.8 Ų25.816%0.15513%0.128CC..Hα-helixtrans-77.8-32.9-174.1-61.8-39.7000112Y69 Q175 L196 T197 A203 F204Y69-D200 VanDerWaalsContact OH-CB 3.28Å; Y69-D200 WeakPolarHBondContact OH-CB 3.17Å; Y69-D200 VanDerWaalsContact OH-CG 3.26Å; Y69-D200 PolarHBondContact OH-OD2 3.03Å; Q175-D200 HydrophobicContact CB-CB 3.79Å; L196-D200 HydrophobicContact CD2-CB 4.4Å; T197-D200 PolarHBondContact O-N 2.8Å; T197-D200 WeakPolarHBondContact OG1-CB 3.15Å; T197-D200 PolarHBondContact OG1-N 3Å; T197-D200 PolarHBondContact OG1-OD2 3.09Å; D200-A203 PolarHBondContact O-N 3.25Å; D200-F204 WeakPolarHBondContact O-CB 3.46Å; D200-F204 PolarHBondContact O-N 2.68Å
201L98.9Very high98.7Very high0 Ų025.3 Ų25.30%013%0.126CC..Hα-helixtrans-62.9-45.2170.9-179.857.4000111.2L196 T197 A203 F204 L205 L245 L248L196-L201 HydrophobicContact CB-CB 3.91Å; L196-L201 HydrophobicContact CD1-CB 4.37Å; L196-L201 HydrophobicContact CD1-CD1 4.06Å; T197-L201 VanDerWaalsContact O-CB 3.29Å; T197-L201 WeakPolarHBondContact O-CB 3.35Å; T197-L201 PolarHBondContact O-N 3.2Å; L201-A203 PolarHBondContact O-N 2.62Å; L201-F204 PolarHBondContact O-N 3.41Å; L201-L205 HydrophobicContact CD1-CD1 4.1Å; L201-L205 HydrophobicContact CD1-CG 4.03Å; L201-L205 HydrophobicContact CG-CD1 4.14Å; L201-L205 HydrophobicContact CG-CG 4.48Å; L201-L205 WeakPolarHBondContact O-CB 3.47Å; L201-L205 VanDerWaalsContact O-CG 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.23Å; L201-L205 PolarHBondContact O-N 2.96Å; L201-L245 HydrophobicContact CD2-CD1 4.23Å; L201-L248 HydrophobicContact CD2-CD1 3.91Å
202L98.8Very high98.7Very high43 Ų4323 Ų2323%0.22512%0.118CC..Hα-helixtrans-59.9-47.1175.5-179.2164.3000111.3F39 D198 K199 S206 K251F39-L202 HydrophobicContact CE1-CD1 4.38Å; F39-L202 HydrophobicContact CZ-CD1 3.67Å; D198-L202 WeakPolarHBondContact O-CB 3.41Å; D198-L202 PolarHBondContact O-N 3.34Å; D198-L202 VanDerWaalsContact O-N 3.09Å; K199-L202 PolarHBondContact O-N 3.21Å; L202-S206 PolarHBondContact O-N 3.22Å; L202-S206 VanDerWaalsContact O-N 3.08Å; L202-S206 PolarHBondContact O-OG 3.42Å; L202-K251 HydrophobicContact CD1-CB 3.64Å; L202-K251 HydrophobicContact CD1-CD 4.34Å; L202-K251 HydrophobicContact CG-CB 4.39Å
203A98.8Very high98.7Very high31 Ų3124.8 Ų24.826%0.25612%0.124SC..Hα-helixtrans-63.9-43.8179.800000111.3K199 D200 L201 S206 R207K199-A203 WeakPolarHBondContact O-CB 3.29Å; K199-A203 PolarHBondContact O-N 2.83Å; D200-A203 PolarHBondContact O-N 3.25Å; L201-A203 PolarHBondContact O-N 2.62Å; A203-S206 WeakPolarHBondContact O-CB 3.46Å; A203-S206 PolarHBondContact O-N 3.28Å; A203-R207 WeakPolarHBondContact O-CG 3.43Å; A203-R207 PolarHBondContact O-N 3.13Å
204F98.9Very high98.5Very high0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-63.8-47.3178.6-178.3-117.5000111.9C123 L174 F177 P179 I189 L196 D200 L201 S206 R207 C208C123-F204 HydrophobicContact CB-CZ 4.35Å; L174-F204 HydrophobicContact CB-CD1 4.34Å; L174-F204 HydrophobicContact CB-CD2 4.18Å; L174-F204 HydrophobicContact CB-CE1 4.19Å; L174-F204 HydrophobicContact CB-CE2 4.04Å; L174-F204 HydrophobicContact CB-CG 4.33Å; L174-F204 HydrophobicContact CB-CZ 4.04Å; L174-F204 HydrophobicContact CD1-CD1 4.48Å; L174-F204 HydrophobicContact CD1-CE1 3.87Å; L174-F204 HydrophobicContact CD1-CZ 4.1Å; L174-F204 HydrophobicContact CD2-CE1 4.41Å; L174-F204 HydrophobicContact CD2-CE2 4.2Å; L174-F204 HydrophobicContact CD2-CZ 3.8Å; L174-F204 HydrophobicContact CG-CE1 4.39Å; L174-F204 HydrophobicContact CG-CZ 4.2Å; L174-F204 WeakPolarHBondContact O-CD2 3.26Å; F177-F204 HydrophobicContact CD1-CE2 4.13Å; P179-F204 HydrophobicContact CG-CE2 4.4Å; I189-F204 HydrophobicContact CD1-CD1 4.38Å; I189-F204 HydrophobicContact CD1-CE1 3.84Å; I189-F204 HydrophobicContact CG1-CE1 4.33Å; L196-F204 HydrophobicContact CD1-CB 4.11Å; L196-F204 HydrophobicContact CD1-CD1 4.01Å; L196-F204 HydrophobicContact CD1-CG 4.26Å; D200-F204 WeakPolarHBondContact O-CB 3.46Å; D200-F204 PolarHBondContact O-N 2.68Å; L201-F204 PolarHBondContact O-N 3.41Å; F204-S206 VanDerWaalsContact C-N 3.26Å; F204-S206 PolarHBondContact O-N 3.12Å; F204-R207 CarbonylContact O-C 3.59Å; F204-R207 PolarHBondContact O-N 2.93Å; F204-C208 VanDerWaalsContact CE1-SG 3.54Å; F204-C208 WeakPolarHBondContact CZ-SG 3.4Å; F204-C208 PolarHBondContact O-N 3.04Å; F204-C208 PolarHBondContact O-SG 2.97Å; F204-C208 VanDerWaalsContact O-SG 3.32Å
205L98.9Very high98.4Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-58.8-37.9175.7-73.1175.4000112.4I189 L201 C208 R209 I249 L254I189-L205 HydrophobicContact CD1-CD2 3.93Å; L201-L205 HydrophobicContact CD1-CD1 4.1Å; L201-L205 HydrophobicContact CD1-CG 4.03Å; L201-L205 HydrophobicContact CG-CD1 4.14Å; L201-L205 HydrophobicContact CG-CG 4.48Å; L201-L205 WeakPolarHBondContact O-CB 3.47Å; L201-L205 VanDerWaalsContact O-CG 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.23Å; L201-L205 PolarHBondContact O-N 2.96Å; L205-C208 PolarHBondContact O-N 3.34Å; L205-R209 PolarHBondContact O-N 2.82Å; L205-I249 HydrophobicContact CD1-CG1 4.18Å; L205-L254 HydrophobicContact CB-CD1 3.94Å; L205-L254 HydrophobicContact CD2-CD1 4.22Å
206S98.6Very high98.4Very high26 Ų2631.6 Ų31.618%0.18215%0.154CC..Hα-helixtrans-62.3-43.3173.4-56.90000111.8L202 A203 F204 R209 D210 S252L202-S206 PolarHBondContact O-N 3.22Å; L202-S206 VanDerWaalsContact O-N 3.08Å; L202-S206 PolarHBondContact O-OG 3.42Å; A203-S206 WeakPolarHBondContact O-CB 3.46Å; A203-S206 PolarHBondContact O-N 3.28Å; F204-S206 VanDerWaalsContact C-N 3.26Å; F204-S206 PolarHBondContact O-N 3.12Å; S206-R209 WeakPolarHBondContact O-CB 3.49Å; S206-R209 PolarHBondContact O-N 3.48Å; S206-D210 PolarHBondContact O-N 2.98Å; S206-S252 WeakPolarHBondContact OG-CB 3.46Å
207R98.8Very high98.4Very high52 Ų5231.6 Ų31.620%0.19616%0.155CC..Hα-helixtrans-68.1-38.2176.1-64.6-168.4-57.1-93.611.8112.4L174 Q175 F177 T178 A203 F204 R209 D210 G211L174-R207 PolarHBondContact O-NH2 2.53Å; Q175-R207 PolarHBondContact O-NH2 2.81Å; F177-R207 VanDerWaalsContact O-CZ 3.26Å; F177-R207 PolarHBondContact O-NE 2.77Å; F177-R207 PolarHBondContact O-NH2 3.44Å; T178-R207 WeakPolarHBondContact OG1-CD 3.48Å; A203-R207 WeakPolarHBondContact O-CG 3.43Å; A203-R207 PolarHBondContact O-N 3.13Å; F204-R207 CarbonylContact O-C 3.59Å; F204-R207 PolarHBondContact O-N 2.93Å; R207-R209 VanDerWaalsContact C-N 3.29Å; R207-R209 PolarHBondContact O-N 2.95Å; R207-D210 PolarHBondContact O-N 3.38Å; R207-G211 PolarHBondContact O-N 2.79Å
208C98.8Very high98.4Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-59.3-41.4173.8-68.90000111.4I187 F204 L205 D210 G211 L212 I218I187-C208 HydrophobicContact CD1-CB 3.85Å; I187-C208 VanDerWaalsContact CD1-O 3.24Å; I187-C208 WeakPolarHBondContact CD1-O 3.39Å; I187-C208 HydrophobicContact CG2-CB 4.46Å; F204-C208 VanDerWaalsContact CE1-SG 3.54Å; F204-C208 WeakPolarHBondContact CZ-SG 3.4Å; F204-C208 PolarHBondContact O-N 3.04Å; F204-C208 PolarHBondContact O-SG 2.97Å; F204-C208 VanDerWaalsContact O-SG 3.32Å; L205-C208 PolarHBondContact O-N 3.34Å; C208-D210 VanDerWaalsContact C-N 3.28Å; C208-D210 PolarHBondContact O-N 2.98Å; C208-G211 WeakPolarHBondContact O-CA 3.47Å; C208-G211 PolarHBondContact O-N 2.95Å; C208-L212 WeakPolarHBondContact O-CG 3.43Å; C208-L212 PolarHBondContact O-N 3.49Å; C208-I218 HydrophobicContact CB-CD1 3.52Å; C208-I218 HydrophobicContact CB-CG1 4.02Å
209R98.4Very high98.4Very high65 Ų6531.6 Ų31.625%0.24516%0.155CC..Hα-helixtrans-55-45.5175.6-174.4-16765.5-141.2-4.4111.4L205 S206 R207 G211 L212 S252 L254 S279L205-R209 PolarHBondContact O-N 2.82Å; S206-R209 WeakPolarHBondContact O-CB 3.49Å; S206-R209 PolarHBondContact O-N 3.48Å; R207-R209 VanDerWaalsContact C-N 3.29Å; R207-R209 PolarHBondContact O-N 2.95Å; R209-G211 PolarHBondContact O-N 3.23Å; R209-L212 WeakPolarHBondContact O-CB 3.37Å; R209-L212 PolarHBondContact O-N 3.19Å; R209-S252 PolarHBondContact NH1-O 3.29Å; R209-L254 HydrophobicContact CB-CD2 3.85Å; R209-L254 HydrophobicContact CG-CD2 3.78Å; R209-S279 WeakPolarHBondContact CD-OG 3.34Å
210D98.2Very high98.4Very high76 Ų7627 Ų2741%0.40614%0.135SC..Hα-helixtrans-71.8-21.6179.7-56.2-18.3000112.1F181 R182 S206 R207 C208 L212F181-D210 HydrophobicContact CD2-CB 4.37Å; F181-D210 VanDerWaalsContact CD2-O 3.28Å; F181-D210 WeakPolarHBondContact CD2-O 3.31Å; R182-D210 PolarHBondContact N-O 3.24Å; S206-D210 PolarHBondContact O-N 2.98Å; R207-D210 PolarHBondContact O-N 3.38Å; C208-D210 VanDerWaalsContact C-N 3.28Å; C208-D210 PolarHBondContact O-N 2.98Å; D210-L212 VanDerWaalsContact C-N 3.31Å
211G98.6Very high98.5Very high0 Ų025.6 Ų25.60%013%0.127CC..THydrogen-bonded Turntrans-76-10.6172.300000115P180 R182 R183 Y184 R207 C208 R209P180-G211 WeakPolarHBondContact O-CA 3.17Å; R182-G211 CarbonylContact C-O 3.58Å; R182-G211 WeakPolarHBondContact CA-O 3.42Å; R183-G211 PolarHBondContact N-O 2.77Å; Y184-G211 PolarHBondContact N-O 2.83Å; R207-G211 PolarHBondContact O-N 2.79Å; C208-G211 WeakPolarHBondContact O-CA 3.47Å; C208-G211 PolarHBondContact O-N 2.95Å; R209-G211 PolarHBondContact O-N 3.23Å
212L98.6Very high98.4Very high10 Ų1026.1 Ų26.15%0.05213%0.13CC..EExtended strand (participates in β ladder)trans-79.3135.9-177.5-65173.7000112.7R182 Y184 I187 C208 R209 D210 I218R182-L212 WeakPolarHBondContact CA-O 3.45Å; R182-L212 WeakPolarHBondContact CG-O 3.36Å; Y184-L212 CarbonylContact O-C 3.54Å; Y184-L212 WeakPolarHBondContact O-CA 3.43Å; I187-L212 HydrophobicContact CD1-CD2 3.88Å; I187-L212 HydrophobicContact CD1-CG 4.41Å; I187-L212 HydrophobicContact CG1-CD2 3.95Å; C208-L212 WeakPolarHBondContact O-CG 3.43Å; C208-L212 PolarHBondContact O-N 3.49Å; R209-L212 WeakPolarHBondContact O-CB 3.37Å; R209-L212 PolarHBondContact O-N 3.19Å; D210-L212 VanDerWaalsContact C-N 3.31Å; L212-I218 HydrophobicContact CD1-CD1 4.21Å; L212-I218 HydrophobicContact CD1-CG1 4.07Å; L212-I218 HydrophobicContact CD2-CG1 4.15Å; L212-I218 HydrophobicContact CG-CG1 4.38Å
213K98.1Very high98.4Very high58 Ų5826.6 Ų26.625%0.25213%0.133SC..EExtended strand (participates in β ladder)trans-63.2171162.2-76.5171.868.3-163.30110.5D118 R182 R183 Y184 D185 N215 G216D118-K213 IonicContact OD2-NZ 3.98Å; D118-K213 PolarHBondContact OD2-NZ 3.09Å; R182-K213 WeakPolarHBondContact O-CG 3.39Å; R183-K213 VanDerWaalsContact O-CD 3.25Å; R183-K213 WeakPolarHBondContact O-CD 3.43Å; Y184-K213 PolarHBondContact O-N 2.82Å; D185-K213 VanDerWaalsContact CG-NZ 3.34Å; D185-K213 WeakPolarHBondContact OD1-CD 3.45Å; D185-K213 VanDerWaalsContact OD1-CE 3.3Å; D185-K213 WeakPolarHBondContact OD1-CE 3.41Å; D185-K213 IonicContact OD1-NZ 2.76Å; D185-K213 PolarHBondContact OD1-NZ 3.47Å; D185-K213 IonicContact OD2-NZ 2.93Å; D185-K213 PolarHBondContact OD2-NZ 3.23Å; K213-N215 PolarHBondContact O-N 3.23Å; K213-G216 PolarHBondContact O-N 2.96Å
214E95.9Very high98.4Very high136 Ų13625.4 Ų25.464%0.63612%0.122SC*.EExtended strand (participates in β ladder)trans-56.1133.5171.7-168.4179.4170.400110.9G216E214-G216 PolarHBondContact O-N 3.49Å
215N96.6Very high98.4Very high37 Ų3725.7 Ų25.720%0.19813%0.125CC..EExtended strand (participates in β ladder)trans59.96-173.4-49.1-52.5000115.4R114 A115 K213 R281R114-N215 WeakPolarHBondContact O-CB 3.45Å; A115-N215 VanDerWaalsContact CA-O 3.29Å; A115-N215 WeakPolarHBondContact CA-O 3.39Å; A115-N215 WeakPolarHBondContact CB-O 3.47Å; A115-N215 PolarHBondContact N-O 2.93Å; K213-N215 PolarHBondContact O-N 3.23Å; N215-R281 PolarHBondContact OD1-NH2 3.42Å
216G98.3Very high98.1Very high0 Ų037.2 Ų37.20%017%0.168CC..EExtended strand (participates in β ladder)trans-62.1155.9177.400000112.1D185 K213 E214 H278D185-G216 CarbonylContact O-C 3.58Å; D185-G216 WeakPolarHBondContact O-CA 3.37Å; K213-G216 PolarHBondContact O-N 2.96Å; E214-G216 PolarHBondContact O-N 3.49Å; G216-H278 PolarHBondContact O-CE1 2.83Å; G216-H278 PolarHBondContact O-ND1 3.3Å
217V98.7Very high97.9Very high4 Ų439.2 Ų39.22%0.02418%0.175CC..EExtended strand (participates in β ladder)trans-130.5146.4-178.4-63.30000112F108 A115 D185 V186 I187 I219 L257 L277F108-V217 HydrophobicContact CB-CG2 4.23Å; A115-V217 HydrophobicContact CB-CG1 4.47Å; A115-V217 HydrophobicContact CB-CG2 4.06Å; D185-V217 PolarHBondContact O-N 3.07Å; V186-V217 VanDerWaalsContact CA-O 3.28Å; V186-V217 WeakPolarHBondContact CA-O 3.46Å; V186-V217 HydrophobicContact CG2-CG2 3.8Å; I187-V217 PolarHBondContact N-O 3.09Å; V217-I219 HydrophobicContact CG2-CD1 4.1Å; V217-I219 HydrophobicContact CG2-CG1 4.44Å; V217-L257 HydrophobicContact CG1-CD1 3.91Å; V217-L277 CarbonylContact C-O 3.53Å; V217-L277 WeakPolarHBondContact CA-O 3.46Å
218I98.9Very high97.7Very high0 Ų036.8 Ų36.80%017%0.166CC..EExtended strand (participates in β ladder)trans-92.5130.9164.3-62.7153.5000107.4I187 I189 C208 L212 L254 A276 L277I187-I218 HydrophobicContact CB-CG1 4.09Å; I187-I218 HydrophobicContact CD1-CG1 4.5Å; I187-I218 CarbonylContact O-C 3.55Å; I187-I218 VanDerWaalsContact O-CA 3.28Å; I187-I218 WeakPolarHBondContact O-CA 3.36Å; I189-I218 HydrophobicContact CD1-CG2 3.68Å; I189-I218 HydrophobicContact CG1-CG2 4.28Å; C208-I218 HydrophobicContact CB-CD1 3.52Å; C208-I218 HydrophobicContact CB-CG1 4.02Å; L212-I218 HydrophobicContact CD1-CD1 4.21Å; L212-I218 HydrophobicContact CD1-CG1 4.07Å; L212-I218 HydrophobicContact CD2-CG1 4.15Å; L212-I218 HydrophobicContact CG-CG1 4.38Å; I218-L254 HydrophobicContact CD1-CD1 3.67Å; I218-L254 HydrophobicContact CD1-CD2 3.99Å; I218-A276 CarbonylContact O-C 3.53Å; I218-A276 WeakPolarHBondContact O-CA 3.33Å; I218-L277 HydrophobicContact CB-CB 4.18Å; I218-L277 HydrophobicContact CG2-CD1 4.34Å; I218-L277 PolarHBondContact N-O 3.38Å; I218-L277 PolarHBondContact O-N 3.31Å
219I98.9Very high97.6Very high0 Ų037 Ų370%017%0.168CC..EExtended strand (participates in β ladder)trans-106114.3168.3-54.6-61.9000108.2F104 L105 F108 V186 I187 W188 I189 V217 F275 A276F104-I219 HydrophobicContact CD1-CD1 4.27Å; F104-I219 HydrophobicContact CD1-CG2 4.16Å; F104-I219 HydrophobicContact CE1-CD1 3.95Å; F104-I219 HydrophobicContact CE1-CG2 4.16Å; L105-I219 HydrophobicContact CD1-CG1 4.42Å; F108-I219 HydrophobicContact CD2-CD1 4.35Å; V186-I219 HydrophobicContact CG1-CG1 4.12Å; I187-I219 PolarHBondContact O-N 3.27Å; W188-I219 HydrophobicContact CD2-CB 4.04Å; W188-I219 HydrophobicContact CD2-CG2 4.08Å; W188-I219 HydrophobicContact CE3-CB 3.49Å; W188-I219 VanDerWaalsContact CE3-CB 3.49Å; W188-I219 HydrophobicContact CE3-CG1 3.8Å; W188-I219 HydrophobicContact CE3-CG2 3.65Å; W188-I219 HydrophobicContact CH2-CB 4.35Å; W188-I219 HydrophobicContact CH2-CG2 3.57Å; W188-I219 HydrophobicContact CZ2-CG2 4.01Å; W188-I219 HydrophobicContact CZ3-CB 3.68Å; W188-I219 HydrophobicContact CZ3-CG1 3.78Å; W188-I219 HydrophobicContact CZ3-CG2 3.39Å; I189-I219 PolarHBondContact N-O 3.14Å; V217-I219 HydrophobicContact CG2-CD1 4.1Å; V217-I219 HydrophobicContact CG2-CG1 4.44Å; I219-F275 WeakPolarHBondContact CA-O 3.28Å; I219-A276 HydrophobicContact CD1-CB 3.66Å
220L98.9Very high97.6Very high0 Ų038.5 Ų38.50%018%0.18CC..EExtended strand (participates in β ladder)trans-102.5120.7173.5174.363.8000109.1I189 L245 I249 M274 F275 L277I189-L220 HydrophobicContact CB-CD1 4.02Å; I189-L220 HydrophobicContact CG2-CD1 3.86Å; I189-L220 WeakPolarHBondContact O-CA 3.45Å; L220-L245 HydrophobicContact CD2-CD1 3.98Å; L220-L245 HydrophobicContact CD2-CD2 4.1Å; L220-L245 HydrophobicContact CD2-CG 4.23Å; L220-I249 HydrophobicContact CD2-CD1 4.22Å; L220-M274 CarbonylContact O-C 3.58Å; L220-M274 WeakPolarHBondContact O-CA 3.35Å; L220-F275 HydrophobicContact CB-CB 4.49Å; L220-F275 HydrophobicContact CD2-CD2 4.46Å; L220-F275 HydrophobicContact CG-CD2 4.5Å; L220-F275 PolarHBondContact N-O 3.19Å; L220-F275 PolarHBondContact O-N 3.38Å; L220-L277 HydrophobicContact CB-CD1 4.33Å
221K98.9Very high97.6Very high0 Ų036 Ų360%017%0.166CC..EExtended strand (participates in β ladder)trans-126.2111.4177.4-173.5173.2-166.5-176.10110.8D97 S101 W188 I189 Q190 W191 Q262 V272 W273 M274D97-K221 PolarHBondContact O-NZ 3.29Å; D97-K221 VanDerWaalsContact OD1-CE 3.26Å; D97-K221 WeakPolarHBondContact OD1-CE 3.45Å; D97-K221 IonicContact OD1-NZ 2.78Å; D97-K221 PolarHBondContact OD1-NZ 3.42Å; S101-K221 WeakPolarHBondContact OG-CD 3.33Å; S101-K221 PolarHBondContact OG-NZ 3.47Å; W188-K221 HydrophobicContact CZ2-CD 4.3Å; I189-K221 PolarHBondContact O-N 3.49Å; Q190-K221 WeakPolarHBondContact CA-O 3.22Å; Q190-K221 HydrophobicContact CB-CB 4.25Å; Q190-K221 HydrophobicContact CG-CB 4.18Å; Q190-K221 HydrophobicContact CG-CG 4.4Å; W191-K221 PolarHBondContact N-O 3.15Å; K221-Q262 VanDerWaalsContact CE-OE1 3.26Å; K221-V272 HydrophobicContact CG-CG1 3.88Å; K221-W273 VanDerWaalsContact CA-O 3.28Å; K221-W273 WeakPolarHBondContact CA-O 3.41Å; K221-M274 HydrophobicContact CB-CG 3.92Å; K221-M274 HydrophobicContact CD-CG 3.48Å; K221-M274 VanDerWaalsContact CD-CG 3.48Å; K221-M274 HydrophobicContact CD-SD 3.87Å; K221-M274 VanDerWaalsContact CE-SD 3.6Å; K221-M274 HydrophobicContact CG-CG 3.48Å; K221-M274 VanDerWaalsContact CG-CG 3.48Å
222D98.8Very high97.5Very high10 Ų1039.4 Ų39.45%0.05318%0.184CC..EExtended strand (participates in β ladder)trans-151.7168.4-175.1-138.6-41.2000113V192 S193 V272 W273V192-D222 PolarHBondContact N-OD2 3.43Å; S193-D222 VanDerWaalsContact CB-OD2 3.32Å; S193-D222 WeakPolarHBondContact CB-OD2 3.5Å; S193-D222 PolarHBondContact N-OD2 3.37Å; S193-D222 PolarHBondContact OG-OD2 3.34Å; D222-V272 WeakPolarHBondContact O-CA 3.34Å; D222-W273 PolarHBondContact N-O 3.29Å; D222-W273 PolarHBondContact O-N 3.15Å
223N98.6Very high97.4Very high54 Ų5442.9 Ų42.929%0.28920%0.203SC..EExtended strand (participates in β ladder)trans-63.9133168.4-66.3-30.8000109.4T239 I270 V272N223-T239 HydrophobicContact CB-CG2 3.91Å; N223-I270 HydrophobicContact CB-CB 4.49Å; N223-I270 HydrophobicContact CB-CG2 3.99Å; N223-V272 VanDerWaalsContact OD1-CG2 3.3Å; N223-V272 WeakPolarHBondContact OD1-CG2 3.48Å
224V98.6Very high97.3Very high5 Ų544.4 Ų44.43%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-122.5117.3176.9-175.90000109.3R240 M242 L245 I270 P271 W273 F275V224-R240 CarbonylContact C-O 3.59Å; V224-R240 WeakPolarHBondContact CA-O 3.35Å; V224-M242 HydrophobicContact CG1-CB 4.1Å; V224-M242 HydrophobicContact CG1-CE 4.39Å; V224-M242 VanDerWaalsContact CG1-N 3.33Å; V224-L245 HydrophobicContact CG2-CD2 4.28Å; V224-I270 WeakPolarHBondContact O-CG2 3.3Å; V224-P271 PolarHBondContact N-O 3.03Å; V224-W273 HydrophobicContact CB-CG 4.39Å; V224-W273 HydrophobicContact CG2-CB 3.74Å; V224-W273 HydrophobicContact CG2-CG 3.88Å; V224-F275 HydrophobicContact CG2-CE2 4.48Å
225A97.5Very high97.3Very high7 Ų739.4 Ų39.46%0.05820%0.198CC..EExtended strand (participates in β ladder)trans-64152.8179.800000110.5E227 I230 T239 R240 D241A225-E227 VanDerWaalsContact C-N 3.3Å; A225-E227 PolarHBondContact O-N 2.88Å; A225-I230 HydrophobicContact CB-CD1 4.12Å; A225-I230 HydrophobicContact CB-CG1 4.48Å; A225-T239 HydrophobicContact CB-CG2 3.79Å; A225-R240 PolarHBondContact N-O 3.41Å; A225-D241 HydrophobicContact CB-CB 4.43Å; A225-D241 WeakPolarHBondContact O-CA 3.4Å; A225-D241 WeakPolarHBondContact O-CB 3.39Å
226R93.9Very high97.4Very high242 Ų24238 Ų3891%0.91319%0.191SC*.SBendtrans-65.8-36175.9-169175.9-162.1-120.95.4112.3
227E93.2Very high97.4Very high67 Ų6738.6 Ų38.631%0.31320%0.195SC..SBendtrans-158.3134.1-178-174.5173.9179.400109.5L4 A225L4-E227 HydrophobicContact CD1-CG 4.47Å; L4-E227 WeakPolarHBondContact CD1-OE1 3.43Å; L4-E227 PolarHBondContact N-OE1 3.08Å; A225-E227 VanDerWaalsContact C-N 3.3Å; A225-E227 PolarHBondContact O-N 2.88Å
228G95.3Very high97.4Very high2 Ų238.6 Ų38.62%0.02120%0.195CC..SBendtrans71.2-150.1173.700000115Y44 R240 D241Y44-G228 VanDerWaalsContact CE1-CA 3.49Å; Y44-G228 VanDerWaalsContact CG-CA 3.4Å; G228-R240 CarbonylContact O-C 3.31Å; G228-D241 WeakPolarHBondContact CA-OD2 3.39Å; G228-D241 PolarHBondContact N-OD2 3.31Å; G228-D241 WeakPolarHBondContact O-CB 3.16Å; G228-D241 PolarHBondContact O-N 2.89Å
229C97.5Very high97.4Very high5 Ų539.5 Ų39.53%0.03420%0.201CC..EExtended strand (participates in β ladder)trans-128.3129.3179.3-170.20000109.5S41 L45 T239 I244S41-C229 WeakPolarHBondContact CB-SG 3.33Å; S41-C229 PolarHBondContact OG-SG 3.19Å; L45-C229 HydrophobicContact CD2-CB 4.37Å; L45-C229 HydrophobicContact CG-CB 4.33Å; C229-T239 WeakPolarHBondContact CA-O 3.26Å; C229-I244 HydrophobicContact CB-CD1 4Å
230I97.4Very high97.3Very high96 Ų9639.9 Ų39.949%0.49220%0.202SC..EExtended strand (participates in β ladder)trans-117.6123.1-175.8-55.2172.4000108A225 V238 T239A225-I230 HydrophobicContact CB-CD1 4.12Å; A225-I230 HydrophobicContact CB-CG1 4.48Å; I230-V238 CarbonylContact O-C 3.49Å; I230-V238 VanDerWaalsContact O-CA 3.26Å; I230-V238 WeakPolarHBondContact O-CA 3.35Å; I230-T239 PolarHBondContact N-O 3.35Å; I230-T239 PolarHBondContact O-N 3.02Å
231L97.7Very high97.3Very high23 Ų2340.3 Ų40.312%0.1221%0.205CC..EExtended strand (participates in β ladder)trans-88.3123173.4-179.971.8000109.7L45 I49 L57 T58 F68 L233 S237 V238L45-L231 HydrophobicContact CD2-CB 3.88Å; I49-L231 HydrophobicContact CD1-CB 4.09Å; I49-L231 HydrophobicContact CD1-CD2 3.63Å; I49-L231 HydrophobicContact CD1-CG 4.46Å; L57-L231 HydrophobicContact CB-CD2 4.26Å; L57-L231 HydrophobicContact CD1-CD2 4.07Å; T58-L231 HydrophobicContact CG2-CD2 4.21Å; F68-L231 HydrophobicContact CD2-CD1 4.27Å; F68-L231 HydrophobicContact CE2-CD1 3.84Å; L231-L233 HydrophobicContact CD2-CD2 3.57Å; L231-L233 HydrophobicContact CG-CD2 3.96Å; L231-S237 WeakPolarHBondContact CA-O 3.41Å; L231-S237 WeakPolarHBondContact CD1-O 3.32Å; L231-V238 HydrophobicContact CB-CG1 4.33Å; L231-V238 HydrophobicContact CD1-CG1 3.69Å
232D97.5Very high97.3Very high71 Ų7141.8 Ų41.838%0.3821%0.212SC..EExtended strand (participates in β ladder)trans-88124.6164-163.4-34.5000108.8S234 D235 S236 S237D232-S234 VanDerWaalsContact C-N 3.34Å; D232-S234 WeakPolarHBondContact OD1-CB 3.49Å; D232-S234 PolarHBondContact OD1-N 3.45Å; D232-S234 PolarHBondContact OD1-OG 3.33Å; D232-D235 WeakPolarHBondContact CB-OD1 3.28Å; D232-S236 VanDerWaalsContact O-CA 3.25Å; D232-S236 WeakPolarHBondContact O-CA 3.24Å; D232-S236 PolarHBondContact O-N 2.92Å; D232-S237 PolarHBondContact N-O 3.32Å; D232-S237 PolarHBondContact O-N 3.39Å
233L96Very high97.2Very high84 Ų8446.9 Ų46.944%0.4424%0.239SC..THydrogen-bonded Turntrans-84.7-14.4-178.5-60179.3000112.7L57 L231L57-L233 HydrophobicContact CD1-CD2 3.51Å; L57-L233 HydrophobicContact CD2-CD2 4.09Å; L57-L233 HydrophobicContact CG-CD2 4.36Å; L231-L233 HydrophobicContact CD2-CD2 3.57Å; L231-L233 HydrophobicContact CG-CD2 3.96Å
234S95.1Very high97.2Very high90 Ų9044.7 Ų44.763%0.62923%0.227SC*.THydrogen-bonded Turntrans-76.4-51.2-173.6-39.70000110.2F75 D232F75-S234 VanDerWaalsContact CD2-O 3.26Å; F75-S234 WeakPolarHBondContact CD2-O 3.49Å; D232-S234 VanDerWaalsContact C-N 3.34Å; D232-S234 WeakPolarHBondContact OD1-CB 3.49Å; D232-S234 PolarHBondContact OD1-N 3.45Å; D232-S234 PolarHBondContact OD1-OG 3.33Å
235D96.8Very high97.2Very high31 Ų3144.6 Ų44.617%0.16623%0.227CC..THydrogen-bonded Turntrans-1060.4178.867.62000113.2A72 F75 H195 D232 S237A72-D235 WeakPolarHBondContact CA-O 3.07Å; A72-D235 WeakPolarHBondContact CB-O 3.33Å; F75-D235 HydrophobicContact CD1-CB 3.66Å; F75-D235 HydrophobicContact CD2-CB 4.05Å; F75-D235 HydrophobicContact CE1-CB 3.69Å; F75-D235 HydrophobicContact CE2-CB 4.08Å; F75-D235 HydrophobicContact CG-CB 3.85Å; F75-D235 HydrophobicContact CZ-CB 3.91Å; H195-D235 PolarHBondContact CE1-O 2.8Å; D232-D235 WeakPolarHBondContact CB-OD1 3.28Å; D235-S237 VanDerWaalsContact OD1-CB 3.23Å; D235-S237 WeakPolarHBondContact OD1-CB 3.41Å; D235-S237 PolarHBondContact OD1-N 3.07Å; D235-S237 VanDerWaalsContact OD1-N 3.14Å; D235-S237 PolarHBondContact OD1-OG 3.25Å; D235-S237 PolarHBondContact OD2-OG 3.45Å
236S98.1Very high97.2Very high7 Ų749.1 Ų49.15%0.04924%0.242CC..THydrogen-bonded Turntrans56.354.5-178.6-164.60000112.2F68 H195 D232F68-S236 VanDerWaalsContact CE2-O 3.24Å; F68-S236 WeakPolarHBondContact CE2-O 3.31Å; F68-S236 PolarHBondContact O-OG 2.7Å; H195-S236 PolarHBondContact ND1-O 3.35Å; D232-S236 VanDerWaalsContact O-CA 3.25Å; D232-S236 WeakPolarHBondContact O-CA 3.24Å; D232-S236 PolarHBondContact O-N 2.92Å
237S98.6Very high97.4Very high13 Ų1338.7 Ų38.79%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-122161.2177.271.80000111.9G194 H195 L231 D232 D235G194-S237 CarbonylContact O-C 3.59Å; G194-S237 WeakPolarHBondContact O-CA 3.49Å; H195-S237 VanDerWaalsContact CE1-CB 3.46Å; H195-S237 WeakPolarHBondContact CE1-CB 3.25Å; L231-S237 WeakPolarHBondContact CA-O 3.41Å; L231-S237 WeakPolarHBondContact CD1-O 3.32Å; D232-S237 PolarHBondContact N-O 3.32Å; D232-S237 PolarHBondContact O-N 3.39Å; D235-S237 VanDerWaalsContact OD1-CB 3.23Å; D235-S237 WeakPolarHBondContact OD1-CB 3.41Å; D235-S237 PolarHBondContact OD1-N 3.07Å; D235-S237 VanDerWaalsContact OD1-N 3.14Å; D235-S237 PolarHBondContact OD1-OG 3.25Å; D235-S237 PolarHBondContact OD2-OG 3.45Å
238V98.6Very high97.7Very high4 Ų435.5 Ų35.52%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-116.8135.8169.3-64.40000112.1F38 L45 F68 G194 I230 L231 R240F38-V238 HydrophobicContact CE1-CG1 4.08Å; F38-V238 HydrophobicContact CE1-CG2 4.35Å; L45-V238 HydrophobicContact CD2-CG1 4.49Å; F68-V238 HydrophobicContact CE2-CG1 4.19Å; F68-V238 HydrophobicContact CZ-CG1 4.32Å; G194-V238 WeakPolarHBondContact CA-O 3.44Å; G194-V238 WeakPolarHBondContact O-CG2 3.29Å; G194-V238 PolarHBondContact O-N 2.95Å; I230-V238 CarbonylContact O-C 3.49Å; I230-V238 VanDerWaalsContact O-CA 3.26Å; I230-V238 WeakPolarHBondContact O-CA 3.35Å; L231-V238 HydrophobicContact CB-CG1 4.33Å; L231-V238 HydrophobicContact CD1-CG1 3.69Å; V238-R240 HydrophobicContact CG2-CG 4.43Å
239T98.7Very high97.9Very high18 Ų1835.5 Ų35.511%0.1119%0.191CC..EExtended strand (participates in β ladder)trans-99.8116.3167.3-54.60000109.1N223 A225 C229 I230 I270N223-T239 HydrophobicContact CB-CG2 3.91Å; A225-T239 HydrophobicContact CB-CG2 3.79Å; C229-T239 WeakPolarHBondContact CA-O 3.26Å; I230-T239 PolarHBondContact N-O 3.35Å; I230-T239 PolarHBondContact O-N 3.02Å; T239-I270 HydrophobicContact CG2-CD1 4.4Å; T239-I270 HydrophobicContact CG2-CG2 4.03Å
240R98.6Very high97.9Very high8 Ų842.9 Ų42.93%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-95.7148.3-179.2-65170.8177.299.4-0111S193 L196 T197 D198 V224 A225 G228 V238 I244S193-R240 PolarHBondContact O-NH1 3.43Å; L196-R240 PolarHBondContact O-NH1 2.91Å; L196-R240 PolarHBondContact O-NH2 3.14Å; T197-R240 VanDerWaalsContact C-NH2 3.27Å; T197-R240 PolarHBondContact O-NH2 3.43Å; D198-R240 IonicContact OD1-CZ 2.83Å; D198-R240 VanDerWaalsContact OD1-CZ 3.3Å; D198-R240 IonicContact OD1-NE 3.13Å; D198-R240 PolarHBondContact OD1-NE 3.13Å; D198-R240 IonicContact OD1-NH2 2.62Å; D198-R240 PolarHBondContact OD1-NH2 3.29Å; V224-R240 CarbonylContact C-O 3.59Å; V224-R240 WeakPolarHBondContact CA-O 3.35Å; A225-R240 PolarHBondContact N-O 3.41Å; G228-R240 CarbonylContact O-C 3.31Å; V238-R240 HydrophobicContact CG2-CG 4.43Å; R240-I244 HydrophobicContact CB-CB 4.26Å; R240-I244 HydrophobicContact CB-CG2 3.94Å; R240-I244 HydrophobicContact CG-CG2 3.89Å
241D98.3Very high97.9Very high10 Ų1042.8 Ų42.85%0.05321%0.214CC..EExtended strand (participates in β ladder)trans-74.3172.7169.375.617000112.5A225 G228 D243 I244 L245A225-D241 HydrophobicContact CB-CB 4.43Å; A225-D241 WeakPolarHBondContact O-CA 3.4Å; A225-D241 WeakPolarHBondContact O-CB 3.39Å; G228-D241 WeakPolarHBondContact CA-OD2 3.39Å; G228-D241 PolarHBondContact N-OD2 3.31Å; G228-D241 WeakPolarHBondContact O-CB 3.16Å; G228-D241 PolarHBondContact O-N 2.89Å; D241-D243 VanDerWaalsContact C-N 3.3Å; D241-D243 PolarHBondContact O-N 2.85Å; D241-D243 PolarHBondContact OD1-N 3.47Å; D241-I244 WeakPolarHBondContact OD1-CB 3.35Å; D241-I244 WeakPolarHBondContact OD1-CG1 3.33Å; D241-I244 PolarHBondContact OD1-N 2.94Å; D241-L245 WeakPolarHBondContact O-CB 3.32Å; D241-L245 PolarHBondContact O-N 3.12Å
242M98.3Very high97.9Very high31 Ų3141.8 Ų41.815%0.15321%0.209CC..Hα-helixtrans-60.3-38-177.8-17863.667.400112.6V224 R246 W273 F275V224-M242 HydrophobicContact CG1-CB 4.1Å; V224-M242 HydrophobicContact CG1-CE 4.39Å; V224-M242 VanDerWaalsContact CG1-N 3.33Å; M242-R246 HydrophobicContact CG-CG 4.47Å; M242-R246 VanDerWaalsContact O-CB 3.28Å; M242-R246 WeakPolarHBondContact O-CB 3.25Å; M242-R246 VanDerWaalsContact O-CG 3.24Å; M242-R246 WeakPolarHBondContact O-CG 3.4Å; M242-R246 PolarHBondContact O-N 2.89Å; M242-R246 HydrophobicContact SD-CG 4.1Å; M242-R246 PolarHBondContact SD-NE 3.3Å; M242-R246 VanDerWaalsContact SD-NE 3.44Å; M242-W273 HydrophobicContact CE-CD2 3.42Å; M242-W273 VanDerWaalsContact CE-CD2 3.42Å; M242-W273 HydrophobicContact CE-CE3 3.74Å; M242-W273 HydrophobicContact CE-CG 3.81Å; M242-W273 HydrophobicContact CE-CH2 4.22Å; M242-W273 HydrophobicContact CE-CZ2 3.94Å; M242-W273 HydrophobicContact CE-CZ3 4.13Å; M242-F275 HydrophobicContact CE-CE1 4.14Å; M242-F275 HydrophobicContact CE-CZ 3.7Å; M242-F275 HydrophobicContact SD-CE1 3.6Å; M242-F275 HydrophobicContact SD-CZ 3.49Å; M242-F275 WeakPolarHBondContact SD-CZ 3.5Å
243D97.6Very high97.8Very high116 Ų11639.4 Ų39.462%0.6220%0.201SC*.Hα-helixtrans-75.4-41.9-173.9-72.2-22.2000111.2D241 S247D241-D243 VanDerWaalsContact C-N 3.3Å; D241-D243 PolarHBondContact O-N 2.85Å; D241-D243 PolarHBondContact OD1-N 3.47Å; D243-S247 VanDerWaalsContact O-CB 3.31Å; D243-S247 WeakPolarHBondContact O-CB 3.34Å; D243-S247 PolarHBondContact O-N 2.86Å
244I98.3Very high97.9Very high8 Ų835.6 Ų35.64%0.04118%0.181CC..Hα-helixtrans-59.1-52.5171.7-68.8164.1000109.4Q40 Y44 C229 R240 D241 R246 S247 L248Q40-I244 HydrophobicContact CB-CB 4.41Å; Q40-I244 HydrophobicContact CB-CG1 4.25Å; Q40-I244 HydrophobicContact CB-CG2 3.67Å; Q40-I244 HydrophobicContact CG-CG2 4.41Å; Y44-I244 HydrophobicContact CD2-CD1 3.76Å; Y44-I244 HydrophobicContact CE2-CD1 3.82Å; Y44-I244 HydrophobicContact CE2-CG1 4.3Å; C229-I244 HydrophobicContact CB-CD1 4Å; R240-I244 HydrophobicContact CB-CB 4.26Å; R240-I244 HydrophobicContact CB-CG2 3.94Å; R240-I244 HydrophobicContact CG-CG2 3.89Å; D241-I244 WeakPolarHBondContact OD1-CB 3.35Å; D241-I244 WeakPolarHBondContact OD1-CG1 3.33Å; D241-I244 PolarHBondContact OD1-N 2.94Å; I244-R246 PolarHBondContact O-N 2.89Å; I244-S247 PolarHBondContact O-N 3.26Å; I244-S247 VanDerWaalsContact O-N 3.11Å; I244-L248 HydrophobicContact CG2-CD1 4.17Å; I244-L248 WeakPolarHBondContact O-CG 3.48Å; I244-L248 PolarHBondContact O-N 3.1Å
245L98.3Very high98Very high4 Ų433.8 Ų33.82%0.02117%0.166CC..Hα-helixtrans-61.8-47.6-175-168.261.4000111.6L201 L220 V224 D241 S247 L248 I249 F275L201-L245 HydrophobicContact CD2-CD1 4.23Å; L220-L245 HydrophobicContact CD2-CD1 3.98Å; L220-L245 HydrophobicContact CD2-CD2 4.1Å; L220-L245 HydrophobicContact CD2-CG 4.23Å; V224-L245 HydrophobicContact CG2-CD2 4.28Å; D241-L245 WeakPolarHBondContact O-CB 3.32Å; D241-L245 PolarHBondContact O-N 3.12Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-S247 PolarHBondContact O-N 2.85Å; L245-L248 PolarHBondContact O-N 3.06Å; L245-L248 VanDerWaalsContact O-N 3.15Å; L245-I249 HydrophobicContact CG-CD1 4.13Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 3.2Å; L245-F275 HydrophobicContact CD2-CD2 4.25Å; L245-F275 HydrophobicContact CD2-CE2 3.56Å; L245-F275 HydrophobicContact CD2-CZ 4.06Å
246R98.2Very high98.1Very high101 Ų10135 Ų3538%0.38118%0.175SC..Hα-helixtrans-60.4-37.8174.1-76.5175.3169.5178.9-5.1112.3M242 I244 L248 R250M242-R246 HydrophobicContact CG-CG 4.47Å; M242-R246 VanDerWaalsContact O-CB 3.28Å; M242-R246 WeakPolarHBondContact O-CB 3.25Å; M242-R246 VanDerWaalsContact O-CG 3.24Å; M242-R246 WeakPolarHBondContact O-CG 3.4Å; M242-R246 PolarHBondContact O-N 2.89Å; M242-R246 HydrophobicContact SD-CG 4.1Å; M242-R246 PolarHBondContact SD-NE 3.3Å; M242-R246 VanDerWaalsContact SD-NE 3.44Å; I244-R246 PolarHBondContact O-N 2.89Å; R246-L248 VanDerWaalsContact C-N 3.33Å; R246-R250 WeakPolarHBondContact O-CB 3.47Å; R246-R250 PolarHBondContact O-N 3.02Å
247S98.1Very high98.1Very high23 Ų2339.1 Ų39.116%0.16120%0.195CC..Hα-helixtrans-67.4-34.4177-173.60000112.5Q40 D243 I244 L245 K251Q40-S247 PolarHBondContact NE2-OG 3.36Å; D243-S247 VanDerWaalsContact O-CB 3.31Å; D243-S247 WeakPolarHBondContact O-CB 3.34Å; D243-S247 PolarHBondContact O-N 2.86Å; I244-S247 PolarHBondContact O-N 3.26Å; I244-S247 VanDerWaalsContact O-N 3.11Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-S247 PolarHBondContact O-N 2.85Å; S247-K251 VanDerWaalsContact O-CB 3.31Å; S247-K251 WeakPolarHBondContact O-CB 3.47Å; S247-K251 WeakPolarHBondContact O-CG 3.47Å; S247-K251 PolarHBondContact O-N 2.89Å; S247-K251 VanDerWaalsContact O-N 3.09Å
248L98.6Very high98.1Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-69.4-46.6175.8-66.5175.6000110.9F39 Q40 D198 L201 I244 L245 R246 R250 K251 S252F39-L248 HydrophobicContact CE1-CD2 4.28Å; F39-L248 HydrophobicContact CE2-CD2 3.68Å; F39-L248 HydrophobicContact CZ-CD2 3.35Å; Q40-L248 HydrophobicContact CG-CD2 3.7Å; Q40-L248 HydrophobicContact CG-CG 4.16Å; D198-L248 HydrophobicContact CB-CD1 4.29Å; D198-L248 HydrophobicContact CB-CD2 3.98Å; L201-L248 HydrophobicContact CD2-CD1 3.91Å; I244-L248 HydrophobicContact CG2-CD1 4.17Å; I244-L248 WeakPolarHBondContact O-CG 3.48Å; I244-L248 PolarHBondContact O-N 3.1Å; L245-L248 PolarHBondContact O-N 3.06Å; L245-L248 VanDerWaalsContact O-N 3.15Å; R246-L248 VanDerWaalsContact C-N 3.33Å; L248-R250 PolarHBondContact O-N 2.97Å; L248-K251 PolarHBondContact O-N 3Å; L248-K251 VanDerWaalsContact O-N 3.16Å; L248-S252 PolarHBondContact O-N 2.94Å
249I98.6Very high98.1Very high2 Ų242.4 Ų42.41%0.0121%0.214CC..Hα-helixtrans-54.5-49.9174.6-69.1162.9000111L205 L220 L245 K251 S252 L254 V256 L277L205-I249 HydrophobicContact CD1-CG1 4.18Å; L220-I249 HydrophobicContact CD2-CD1 4.22Å; L245-I249 HydrophobicContact CG-CD1 4.13Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 3.2Å; I249-K251 VanDerWaalsContact C-N 3.34Å; I249-K251 PolarHBondContact O-N 3.13Å; I249-S252 PolarHBondContact O-N 3.01Å; I249-S252 PolarHBondContact O-OG 3.49Å; I249-L254 HydrophobicContact CG2-CB 3.9Å; I249-L254 PolarHBondContact O-N 3.44Å; I249-V256 HydrophobicContact CG2-CG2 4.18Å; I249-L277 HydrophobicContact CD1-CD1 4.13Å; I249-L277 HydrophobicContact CD1-CD2 4.07Å; I249-L277 HydrophobicContact CG1-CD1 3.96Å; I249-L277 HydrophobicContact CG1-CD2 4.48Å; I249-L277 HydrophobicContact CG2-CD1 4.07Å; I249-L277 HydrophobicContact CG2-CD2 3.71Å; I249-L277 HydrophobicContact CG2-CG 4.45Å
250R97.8Very high98.1Very high161 Ų16143.7 Ų43.761%0.60822%0.219SC*.Hα-helixtrans-63.4-41.2179.2-173.8-172.860.373.5-0.5111.8R246 L248 S252 G253R246-R250 WeakPolarHBondContact O-CB 3.47Å; R246-R250 PolarHBondContact O-N 3.02Å; L248-R250 PolarHBondContact O-N 2.97Å; R250-S252 PolarHBondContact O-N 3.2Å; R250-G253 PolarHBondContact O-N 3.3Å; R250-G253 VanDerWaalsContact O-N 3.14Å
251K97.5Very high98Very high94 Ų9448.8 Ų48.841%0.40924%0.241SC..Hα-helixtrans-68.3-22.3179.3-78.3177.1170.8-173.30112.8F39 Q40 L202 S247 L248 I249 G253F39-K251 HydrophobicContact CE2-CD 3.9Å; F39-K251 HydrophobicContact CZ-CD 4.49Å; Q40-K251 VanDerWaalsContact NE2-CE 3.29Å; L202-K251 HydrophobicContact CD1-CB 3.64Å; L202-K251 HydrophobicContact CD1-CD 4.34Å; L202-K251 HydrophobicContact CG-CB 4.39Å; S247-K251 VanDerWaalsContact O-CB 3.31Å; S247-K251 WeakPolarHBondContact O-CB 3.47Å; S247-K251 WeakPolarHBondContact O-CG 3.47Å; S247-K251 PolarHBondContact O-N 2.89Å; S247-K251 VanDerWaalsContact O-N 3.09Å; L248-K251 PolarHBondContact O-N 3Å; L248-K251 VanDerWaalsContact O-N 3.16Å; I249-K251 VanDerWaalsContact C-N 3.34Å; I249-K251 PolarHBondContact O-N 3.13Å; K251-G253 PolarHBondContact O-N 3.35Å
252S97.6Very high98Very high2 Ų248.8 Ų48.81%0.01424%0.241CC..THydrogen-bonded Turntrans-82.37.5172.773.50000113.5S206 R209 L248 I249 R250 L254S206-S252 WeakPolarHBondContact OG-CB 3.46Å; R209-S252 PolarHBondContact NH1-O 3.29Å; L248-S252 PolarHBondContact O-N 2.94Å; I249-S252 PolarHBondContact O-N 3.01Å; I249-S252 PolarHBondContact O-OG 3.49Å; R250-S252 PolarHBondContact O-N 3.2Å; S252-L254 VanDerWaalsContact C-N 3.29Å; S252-L254 PolarHBondContact O-N 3.39Å; S252-L254 WeakPolarHBondContact OG-CD1 3.19Å
253G96.9Very high97.8Very high20 Ų2050.9 Ų50.921%0.20625%0.253CS..THydrogen-bonded Turntrans69.924.1-177.300000113.8R250 K251 D280R250-G253 PolarHBondContact O-N 3.3Å; R250-G253 VanDerWaalsContact O-N 3.14Å; K251-G253 PolarHBondContact O-N 3.35Å; G253-D280 PolarHBondContact O-N 2.91Å; G253-D280 VanDerWaalsContact O-N 3.14Å
254L98.1Very high97.6Very high5 Ų550.3 Ų50.33%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-103.5148.7174.1-68.9171.3000110.6L205 R209 I218 I249 S252 L277 H278L205-L254 HydrophobicContact CB-CD1 3.94Å; L205-L254 HydrophobicContact CD2-CD1 4.22Å; R209-L254 HydrophobicContact CB-CD2 3.85Å; R209-L254 HydrophobicContact CG-CD2 3.78Å; I218-L254 HydrophobicContact CD1-CD1 3.67Å; I218-L254 HydrophobicContact CD1-CD2 3.99Å; I249-L254 HydrophobicContact CG2-CB 3.9Å; I249-L254 PolarHBondContact O-N 3.44Å; S252-L254 VanDerWaalsContact C-N 3.29Å; S252-L254 PolarHBondContact O-N 3.39Å; S252-L254 WeakPolarHBondContact OG-CD1 3.19Å; L254-L277 HydrophobicContact CB-CB 4.38Å; L254-L277 HydrophobicContact CD1-CB 4.26Å; L254-L277 HydrophobicContact CD1-CD1 4.05Å; L254-H278 WeakPolarHBondContact CA-O 3.33Å; L254-H278 WeakPolarHBondContact CD2-O 3.35Å
255V97.4Very high97.6Very high52 Ų5251.8 Ų51.832%0.31526%0.263SS..EExtended strand (participates in β ladder)trans-113148.3171.9-64.90000110.7L257 L277 H278 D280V255-L257 HydrophobicContact CG2-CD2 4.44Å; V255-L277 VanDerWaalsContact O-CA 3.27Å; V255-L277 WeakPolarHBondContact O-CA 3.4Å; V255-H278 WeakPolarHBondContact CG2-O 3.47Å; V255-H278 PolarHBondContact N-O 3.08Å; V255-H278 PolarHBondContact O-N 2.94Å; V255-H278 VanDerWaalsContact O-N 3.1Å; V255-D280 HydrophobicContact CG1-CB 3.86Å
256V98.3Very high97.4Very high57 Ų5754.1 Ų54.135%0.34528%0.278SS..EExtended strand (participates in β ladder)trans-86.1110.6176.7178.80000108.8I249 Q259 F275 L277I249-V256 HydrophobicContact CG2-CG2 4.18Å; V256-Q259 HydrophobicContact CG1-CB 4.34Å; V256-F275 HydrophobicContact CG1-CD1 4.31Å; V256-L277 HydrophobicContact CB-CD2 4.34Å; V256-L277 HydrophobicContact CG2-CD2 3.73Å
257L97.6Very high97.1Very high92 Ų9258.5 Ų58.548%0.48230%0.303SS..EExtended strand (participates in β ladder)trans-76.8-31.7174.1-63.6-175.9000112.3F108 V217 V255 A276 H278F108-L257 HydrophobicContact CD1-CB 4.48Å; F108-L257 HydrophobicContact CE1-CB 4.07Å; V217-L257 HydrophobicContact CG1-CD1 3.91Å; V255-L257 HydrophobicContact CG2-CD2 4.44Å; L257-A276 HydrophobicContact CB-CB 4.38Å; L257-A276 PolarHBondContact N-O 3.07Å; L257-H278 HydrophobicContact CD1-CB 3.67Å; L257-H278 HydrophobicContact CD2-CB 4.23Å; L257-H278 HydrophobicContact CG-CB 3.92Å
258G98.1Very high96.8Very high19 Ų1965.4 Ų65.420%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-169.2157.5177.200000111.1F275 A276G258-F275 WeakPolarHBondContact O-CA 3.46Å; G258-A276 PolarHBondContact O-N 3.43Å
259Q98.4Very high96.6Very high67 Ų6766.7 Ų66.731%0.31334%0.342SS..EExtended strand (participates in β ladder)trans-144146.617659.4172.662.400110.8V256 M274 F275V256-Q259 HydrophobicContact CG1-CB 4.34Å; Q259-M274 CarbonylContact C-O 3.59Å; Q259-M274 WeakPolarHBondContact CA-O 3.22Å; Q259-M274 WeakPolarHBondContact CB-O 3.33Å; Q259-F275 HydrophobicContact CB-CD1 3.72Å; Q259-F275 HydrophobicContact CB-CE1 4.01Å
260E98.6Very high96.4Very high46 Ų4670.1 Ų70.122%0.21536%0.359CS..EExtended strand (participates in β ladder)trans-145.9134.8179.2-167.7162.7-168.700109.5K103 F104 K107 M274K103-E260 IonicContact NZ-OE1 3.53Å; F104-E260 HydrophobicContact CD2-CB 3.71Å; F104-E260 WeakPolarHBondContact CD2-OE2 3.21Å; F104-E260 HydrophobicContact CE2-CB 3.72Å; K107-E260 IonicContact NZ-OE1 3.51Å; K107-E260 IonicContact NZ-OE2 2.6Å; K107-E260 PolarHBondContact NZ-OE2 3.35Å; E260-M274 HydrophobicContact CB-CE 4.31Å; E260-M274 PolarHBondContact N-O 3.34Å; E260-M274 PolarHBondContact O-N 3.18Å
261K98.4Very high96.4Very high114 Ų11464.6 Ų64.650%0.49634%0.344SS..EExtended strand (participates in β ladder)trans-77.6138172.4-174.4-177.2166.9-177.30108.4D263 W273K261-D263 PolarHBondContact O-N 2.87Å; K261-W273 HydrophobicContact CB-CD2 3.96Å; K261-W273 HydrophobicContact CB-CE3 3.99Å; K261-W273 HydrophobicContact CB-CH2 3.94Å; K261-W273 HydrophobicContact CB-CZ2 3.91Å; K261-W273 HydrophobicContact CB-CZ3 3.98Å; K261-W273 HydrophobicContact CD-CZ2 4.15Å; K261-W273 HydrophobicContact CG-CD2 4.31Å; K261-W273 HydrophobicContact CG-CZ2 4.15Å
262Q98.2Very high96.5Very high10 Ų1060.3 Ų60.35%0.04733%0.326CS..PPolyproline II helixtrans-58.5129.3170.8178.163.853.500110P96 A100 K221 F265 V272P96-Q262 PolarHBondContact O-NE2 2.77Å; A100-Q262 VanDerWaalsContact CB-NE2 3.32Å; A100-Q262 VanDerWaalsContact CB-OE1 3.27Å; K221-Q262 VanDerWaalsContact CE-OE1 3.26Å; Q262-F265 HydrophobicContact CG-CD1 3.51Å; Q262-F265 HydrophobicContact CG-CD2 4.06Å; Q262-F265 HydrophobicContact CG-CE1 3.57Å; Q262-F265 HydrophobicContact CG-CE2 4.12Å; Q262-F265 HydrophobicContact CG-CG 3.78Å; Q262-F265 HydrophobicContact CG-CZ 3.88Å; Q262-V272 HydrophobicContact CB-CB 3.69Å; Q262-V272 HydrophobicContact CB-CG1 4.07Å; Q262-V272 WeakPolarHBondContact CB-O 3.29Å; Q262-V272 HydrophobicContact CG-CB 4.27Å; Q262-V272 PolarHBondContact N-O 3.02Å
263D94Very high96.5Very high76 Ų7663 Ų6341%0.40634%0.336SS..PPolyproline II helixtrans-94169.4172.656.8-3.8000111.2K261 F265K261-D263 PolarHBondContact O-N 2.87Å; D263-F265 PolarHBondContact O-N 3.18Å
264C93.6Very high96.6Very high104 Ų10462.1 Ų62.170%0.70333%0.326SS*.SBendtrans59.221.5171.9-56.50000115.7P96P96-C264 HydrophobicContact CB-CB 4.24Å
265F96.4Very high96.7Very high39 Ų3962 Ų6217%0.17133%0.325CS..SBendtrans-95.4148.1166.6-84.930.7000109.8L93 P96 D97 W191 Q262 D263 V272L93-F265 HydrophobicContact CB-CD1 4.41Å; L93-F265 HydrophobicContact CB-CE1 3.85Å; L93-F265 HydrophobicContact CB-CE2 4.23Å; L93-F265 HydrophobicContact CB-CZ 3.74Å; L93-F265 HydrophobicContact CD1-CD1 4.48Å; L93-F265 HydrophobicContact CD1-CD2 3.82Å; L93-F265 HydrophobicContact CD1-CE2 3.85Å; L93-F265 HydrophobicContact CD1-CG 4.14Å; L93-F265 HydrophobicContact CD1-CZ 4.21Å; L93-F265 HydrophobicContact CD2-CD1 4.37Å; P96-F265 HydrophobicContact CB-CD1 4.31Å; P96-F265 HydrophobicContact CB-CE1 4.09Å; D97-F265 HydrophobicContact CB-CE1 4.31Å; D97-F265 HydrophobicContact CB-CZ 4.11Å; W191-F265 HydrophobicContact CZ2-CE2 4.4Å; W191-F265 HydrophobicContact CZ2-CZ 4.42Å; Q262-F265 HydrophobicContact CG-CD1 3.51Å; Q262-F265 HydrophobicContact CG-CD2 4.06Å; Q262-F265 HydrophobicContact CG-CE1 3.57Å; Q262-F265 HydrophobicContact CG-CE2 4.12Å; Q262-F265 HydrophobicContact CG-CG 3.78Å; Q262-F265 HydrophobicContact CG-CZ 3.88Å; D263-F265 PolarHBondContact O-N 3.18Å; F265-V272 HydrophobicContact CD2-CG2 4.19Å; F265-V272 HydrophobicContact CE2-CG2 3.89Å
266P95.1Very high96.7Very high53 Ų5359.5 Ų59.534%0.34431%0.31SS..  trans-54.8144.2173.5-23.632.2000112.1L93 Q268 C269L93-P266 HydrophobicContact CD2-CG 4.17Å; P266-Q268 PolarHBondContact O-N 3.5Å; P266-Q268 VanDerWaalsContact O-N 3.12Å; P266-C269 WeakPolarHBondContact O-CB 3.33Å; P266-C269 PolarHBondContact O-N 3.3Å
267E91.4Very high96.8Very high193 Ų19356.8 Ų56.890%0.90229%0.294SS*.THydrogen-bonded Turntrans-63-20.8-178.8-66-171.6165.600113.5C269E267-C269 VanDerWaalsContact C-N 3.32Å
268Q92.6Very high96.6Very high167 Ų16753.5 Ų53.578%0.7828%0.276SS*.THydrogen-bonded Turntrans-76.3-20.5177.9-54.780.1700112.5P266P266-Q268 PolarHBondContact O-N 3.5Å; P266-Q268 VanDerWaalsContact O-N 3.12Å
269C93.4Very high96.3Very high28 Ų2854.4 Ų54.419%0.18928%0.279CS..SBendtrans-70.9146.7177.2-65.40000110.5P266 E267P266-C269 WeakPolarHBondContact O-CB 3.33Å; P266-C269 PolarHBondContact O-N 3.3Å; E267-C269 VanDerWaalsContact C-N 3.32Å
270I95.9Very high95.5Very high73 Ų7353.8 Ų53.837%0.37428%0.278SS..PPolyproline II helixtrans-58.3134.1168.3-60.6177.9000108N223 V224 T239 V272N223-I270 HydrophobicContact CB-CB 4.49Å; N223-I270 HydrophobicContact CB-CG2 3.99Å; V224-I270 WeakPolarHBondContact O-CG2 3.3Å; T239-I270 HydrophobicContact CG2-CD1 4.4Å; T239-I270 HydrophobicContact CG2-CG2 4.03Å; I270-V272 PolarHBondContact O-N 3.42Å
271P97.6Very high93.9Very high45 Ų4559.8 Ų59.829%0.29230%0.299SS..PPolyproline II helixtrans-55.4124.9177.6-28.336.5000112.1V224V224-P271 PolarHBondContact N-O 3.03Å
272V98.6Very high91.7Very high4 Ų462.9 Ų62.92%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-92.9138171.2177.70000109.5K221 D222 N223 Q262 F265 I270K221-V272 HydrophobicContact CG-CG1 3.88Å; D222-V272 WeakPolarHBondContact O-CA 3.34Å; N223-V272 VanDerWaalsContact OD1-CG2 3.3Å; N223-V272 WeakPolarHBondContact OD1-CG2 3.48Å; Q262-V272 HydrophobicContact CB-CB 3.69Å; Q262-V272 HydrophobicContact CB-CG1 4.07Å; Q262-V272 WeakPolarHBondContact CB-O 3.29Å; Q262-V272 HydrophobicContact CG-CB 4.27Å; Q262-V272 PolarHBondContact N-O 3.02Å; F265-V272 HydrophobicContact CD2-CG2 4.19Å; F265-V272 HydrophobicContact CE2-CG2 3.89Å; I270-V272 PolarHBondContact O-N 3.42Å
273W98.8Very high89.1Confident59 Ų5969.3 Ų69.322%0.22336%0.361CS..EExtended strand (participates in β ladder)trans-127.9146.6176.5-72.777.3000111.5K221 D222 V224 M242 K261 F275K221-W273 VanDerWaalsContact CA-O 3.28Å; K221-W273 WeakPolarHBondContact CA-O 3.41Å; D222-W273 PolarHBondContact N-O 3.29Å; D222-W273 PolarHBondContact O-N 3.15Å; V224-W273 HydrophobicContact CB-CG 4.39Å; V224-W273 HydrophobicContact CG2-CB 3.74Å; V224-W273 HydrophobicContact CG2-CG 3.88Å; M242-W273 HydrophobicContact CE-CD2 3.42Å; M242-W273 VanDerWaalsContact CE-CD2 3.42Å; M242-W273 HydrophobicContact CE-CE3 3.74Å; M242-W273 HydrophobicContact CE-CG 3.81Å; M242-W273 HydrophobicContact CE-CH2 4.22Å; M242-W273 HydrophobicContact CE-CZ2 3.94Å; M242-W273 HydrophobicContact CE-CZ3 4.13Å; K261-W273 HydrophobicContact CB-CD2 3.96Å; K261-W273 HydrophobicContact CB-CE3 3.99Å; K261-W273 HydrophobicContact CB-CH2 3.94Å; K261-W273 HydrophobicContact CB-CZ2 3.91Å; K261-W273 HydrophobicContact CB-CZ3 3.98Å; K261-W273 HydrophobicContact CD-CZ2 4.15Å; K261-W273 HydrophobicContact CG-CD2 4.31Å; K261-W273 HydrophobicContact CG-CZ2 4.15Å; W273-F275 HydrophobicContact CB-CD2 4.49Å; W273-F275 HydrophobicContact CB-CE2 3.64Å; W273-F275 HydrophobicContact CB-CZ 3.89Å; W273-F275 HydrophobicContact CG-CZ 4.49Å
274M98.9Very high88.9Confident2 Ų269 Ų691%0.0136%0.358CS..EExtended strand (participates in β ladder)trans-109.2137.2170.9-67.4165.2-76.700109.5A100 F104 L220 K221 Q259 E260A100-M274 HydrophobicContact CB-CE 4.12Å; F104-M274 HydrophobicContact CB-CE 4.47Å; F104-M274 HydrophobicContact CB-SD 3.76Å; F104-M274 HydrophobicContact CD1-CB 3.81Å; F104-M274 HydrophobicContact CD1-CG 4.44Å; F104-M274 HydrophobicContact CD1-SD 4.27Å; F104-M274 HydrophobicContact CD2-CB 4.27Å; F104-M274 HydrophobicContact CE1-CB 3.75Å; F104-M274 HydrophobicContact CE2-CB 4.23Å; F104-M274 HydrophobicContact CG-CB 4.07Å; F104-M274 HydrophobicContact CG-SD 3.98Å; F104-M274 HydrophobicContact CZ-CB 3.97Å; L220-M274 CarbonylContact O-C 3.58Å; L220-M274 WeakPolarHBondContact O-CA 3.35Å; K221-M274 HydrophobicContact CB-CG 3.92Å; K221-M274 HydrophobicContact CD-CG 3.48Å; K221-M274 VanDerWaalsContact CD-CG 3.48Å; K221-M274 HydrophobicContact CD-SD 3.87Å; K221-M274 VanDerWaalsContact CE-SD 3.6Å; K221-M274 HydrophobicContact CG-CG 3.48Å; K221-M274 VanDerWaalsContact CG-CG 3.48Å; Q259-M274 CarbonylContact C-O 3.59Å; Q259-M274 WeakPolarHBondContact CA-O 3.22Å; Q259-M274 WeakPolarHBondContact CB-O 3.33Å; E260-M274 HydrophobicContact CB-CE 4.31Å; E260-M274 PolarHBondContact N-O 3.34Å; E260-M274 PolarHBondContact O-N 3.18Å
275F98.9Very high88.6Confident1 Ų167.1 Ų67.10%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-127.5130.9173.3-55-93.3000109.3I219 L220 V224 M242 L245 V256 G258 Q259 W273 L277I219-F275 WeakPolarHBondContact CA-O 3.28Å; L220-F275 HydrophobicContact CB-CB 4.49Å; L220-F275 HydrophobicContact CD2-CD2 4.46Å; L220-F275 HydrophobicContact CG-CD2 4.5Å; L220-F275 PolarHBondContact N-O 3.19Å; L220-F275 PolarHBondContact O-N 3.38Å; V224-F275 HydrophobicContact CG2-CE2 4.48Å; M242-F275 HydrophobicContact CE-CE1 4.14Å; M242-F275 HydrophobicContact CE-CZ 3.7Å; M242-F275 HydrophobicContact SD-CE1 3.6Å; M242-F275 HydrophobicContact SD-CZ 3.49Å; M242-F275 WeakPolarHBondContact SD-CZ 3.5Å; L245-F275 HydrophobicContact CD2-CD2 4.25Å; L245-F275 HydrophobicContact CD2-CE2 3.56Å; L245-F275 HydrophobicContact CD2-CZ 4.06Å; V256-F275 HydrophobicContact CG1-CD1 4.31Å; G258-F275 WeakPolarHBondContact O-CA 3.46Å; Q259-F275 HydrophobicContact CB-CD1 3.72Å; Q259-F275 HydrophobicContact CB-CE1 4.01Å; W273-F275 HydrophobicContact CB-CD2 4.49Å; W273-F275 HydrophobicContact CB-CE2 3.64Å; W273-F275 HydrophobicContact CB-CZ 3.89Å; W273-F275 HydrophobicContact CG-CZ 4.49Å; F275-L277 HydrophobicContact CB-CD2 3.75Å; F275-L277 HydrophobicContact CB-CG 4.26Å
276A98.8Very high88.2Confident0 Ų068.7 Ų68.70%035%0.35CS..EExtended strand (participates in β ladder)trans-97.4122166.500000108.6F104 F108 I218 I219 L257 G258F104-A276 HydrophobicContact CE1-CB 3.91Å; F104-A276 HydrophobicContact CZ-CB 3.96Å; F108-A276 HydrophobicContact CD1-CB 3.74Å; F108-A276 HydrophobicContact CD2-CB 3.75Å; F108-A276 HydrophobicContact CE1-CB 3.51Å; F108-A276 HydrophobicContact CE2-CB 3.53Å; F108-A276 HydrophobicContact CG-CB 3.86Å; F108-A276 HydrophobicContact CZ-CB 3.41Å; F108-A276 VanDerWaalsContact CZ-CB 3.41Å; I218-A276 CarbonylContact O-C 3.53Å; I218-A276 WeakPolarHBondContact O-CA 3.33Å; I219-A276 HydrophobicContact CD1-CB 3.66Å; L257-A276 HydrophobicContact CB-CB 4.38Å; L257-A276 PolarHBondContact N-O 3.07Å; G258-A276 PolarHBondContact O-N 3.43Å
277L98.6Very high87.8Confident0 Ų069.6 Ų69.60%035%0.35CS..EExtended strand (participates in β ladder)trans-120.2144.6-172.3-44.4176.2000110.5V217 I218 L220 I249 L254 V255 V256 F275V217-L277 CarbonylContact C-O 3.53Å; V217-L277 WeakPolarHBondContact CA-O 3.46Å; I218-L277 HydrophobicContact CB-CB 4.18Å; I218-L277 HydrophobicContact CG2-CD1 4.34Å; I218-L277 PolarHBondContact N-O 3.38Å; I218-L277 PolarHBondContact O-N 3.31Å; L220-L277 HydrophobicContact CB-CD1 4.33Å; I249-L277 HydrophobicContact CD1-CD1 4.13Å; I249-L277 HydrophobicContact CD1-CD2 4.07Å; I249-L277 HydrophobicContact CG1-CD1 3.96Å; I249-L277 HydrophobicContact CG1-CD2 4.48Å; I249-L277 HydrophobicContact CG2-CD1 4.07Å; I249-L277 HydrophobicContact CG2-CD2 3.71Å; I249-L277 HydrophobicContact CG2-CG 4.45Å; L254-L277 HydrophobicContact CB-CB 4.38Å; L254-L277 HydrophobicContact CD1-CB 4.26Å; L254-L277 HydrophobicContact CD1-CD1 4.05Å; V255-L277 VanDerWaalsContact O-CA 3.27Å; V255-L277 WeakPolarHBondContact O-CA 3.4Å; V256-L277 HydrophobicContact CB-CD2 4.34Å; V256-L277 HydrophobicContact CG2-CD2 3.73Å; F275-L277 HydrophobicContact CB-CD2 3.75Å; F275-L277 HydrophobicContact CB-CG 4.26Å
278H95.3Very high87.6Confident24 Ų2461.9 Ų61.911%0.11132%0.315CS..EExtended strand (participates in β ladder)trans-140.5162.2174.9-174.367.4000110.3G216 L254 V255 L257 D280G216-H278 PolarHBondContact O-CE1 2.83Å; G216-H278 PolarHBondContact O-ND1 3.3Å; L254-H278 WeakPolarHBondContact CA-O 3.33Å; L254-H278 WeakPolarHBondContact CD2-O 3.35Å; V255-H278 WeakPolarHBondContact CG2-O 3.47Å; V255-H278 PolarHBondContact N-O 3.08Å; V255-H278 PolarHBondContact O-N 2.94Å; V255-H278 VanDerWaalsContact O-N 3.1Å; L257-H278 HydrophobicContact CD1-CB 3.67Å; L257-H278 HydrophobicContact CD2-CB 4.23Å; L257-H278 HydrophobicContact CG-CB 3.92Å; H278-D280 PolarHBondContact O-N 3.49Å
279S91.1Very high87.2Confident37 Ų3754.9 Ų54.926%0.25928%0.284SS..EExtended strand (participates in β ladder)trans-56.3135.3171.8-170.70000109.9R209 R281R209-S279 WeakPolarHBondContact CD-OG 3.34Å; S279-R281 PolarHBondContact O-N 3.02Å
280D82.1Confident86.8Confident55 Ų5556.8 Ų56.829%0.29429%0.291SS..  trans-61.5127.7162.4-160.6-18.4000108G253 V255 H278 H282G253-D280 PolarHBondContact O-N 2.91Å; G253-D280 VanDerWaalsContact O-N 3.14Å; V255-D280 HydrophobicContact CG1-CB 3.86Å; H278-D280 PolarHBondContact O-N 3.49Å; D280-H282 PolarHBondContact OD1-N 3.19Å
281R65.3Low86.1Confident172 Ų17255.5 Ų55.565%0.64929%0.285SS*.SBendtrans-85.1-2.5176.4-67.9-171.4-177.3-168.4-0.2111.6N215 S279N215-R281 PolarHBondContact OD1-NH2 3.42Å; S279-R281 PolarHBondContact O-N 3.02Å
282H52.1Low85.1Confident179 Ų17956.4 Ų56.483%0.82928%0.284SS*.  trans-112.413-174.2-67-57.2000114.9D280D280-H282 PolarHBondContact OD1-N 3.19Å
283S43.3Very low83.9Confident144 Ų14461.2 Ų61.2100%1.00731%0.308SS*.  trans-107.40175.855.70000112.8

Retrieved 283 of 283 residues in 160.6 ms (Link to these results)

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