A0A087XUU0_POEFO Loading...

Aspartate aminotransferase

AlphaFold DB (A0A3B3W0H1), UniProt , Accession A0A087XUU0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1M82.7Confident93.5Very high229 Ų229130.5 Ų130.5100%1.12874%0.736SS**  0134.90-166.1173-78.300107.1
2S92.9Very high93.1Very high74 Ų74127.3 Ų127.352%0.51772%0.724SS.*  trans-68.8135.9179.3179.30000109.7F4 S5S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 PolarHBondContact OG-N 3.21Å; S2-S5 PolarHBondContact O-N 3.42Å
3L95.8Very high92.8Very high164 Ų164123.2 Ų123.286%0.85970%0.703SS**THydrogen-bonded Turntrans-64.4-15.6173-67.6171.4000112.7
4F96.8Very high92.6Very high154 Ų154117.6 Ų117.668%0.67568%0.679SS**THydrogen-bonded Turntrans-114.820.4-175.8-52.9-59000113S2 D6 V7S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 PolarHBondContact OG-N 3.21Å; F4-D6 PolarHBondContact O-N 3.21Å; F4-V7 HydrophobicContact CB-CG2 3.95Å; F4-V7 HydrophobicContact CD1-CG2 4.14Å; F4-V7 PolarHBondContact O-N 3.19Å
5S95.4Very high92.3Very high73 Ų73111.7 Ų111.751%0.5165%0.646SS.*THydrogen-bonded Turntrans-59.1-30.7-178.256.70000113.5S2S2-S5 PolarHBondContact O-N 3.42Å
6D95.9Very high92.1Very high145 Ų145114 Ų11478%0.77565%0.646SS**THydrogen-bonded Turntrans-103.84.4-170.6-52.6-16.6000112.3F4 P8F4-D6 PolarHBondContact O-N 3.21Å; D6-P8 VanDerWaalsContact O-CD 3.24Å; D6-P8 WeakPolarHBondContact O-CD 3.24Å
7V95.8Very high92.2Very high99 Ų99112.9 Ų112.960%0.663%0.633SS**  trans-71.2114.3177.9178.50000108.7F4F4-V7 HydrophobicContact CB-CG2 3.95Å; F4-V7 HydrophobicContact CD1-CG2 4.14Å; F4-V7 PolarHBondContact O-N 3.19Å
8P95.6Very high92.3Very high113 Ų113107.6 Ų107.673%0.73460%0.602SS**PPolyproline II helixtrans-72.9145.3-179.130.7-34.4000110.8D6 A10D6-P8 VanDerWaalsContact O-CD 3.24Å; D6-P8 WeakPolarHBondContact O-CD 3.24Å; P8-A10 PolarHBondContact O-N 2.63Å
9Q94.4Very high92.3Very high190 Ų190102.7 Ų102.789%0.88858%0.576SS**PPolyproline II helixtrans-70.2121170-176.41722.200109.7
10A92.8Very high92.4Very high79 Ų7999.5 Ų99.565%0.65356%0.562SS**PPolyproline II helixtrans-68.8141.9175.100000111P8P8-A10 PolarHBondContact O-N 2.63Å
11P90.3Very high92.5Very high116 Ų11696.8 Ų96.875%0.75355%0.546SS*.PPolyproline II helixtrans-63.2143.8172.327.4-33.7000110.3
12P89.3Confident93.1Very high91 Ų9188 Ų8859%0.59150%0.502SS*.PPolyproline II helixtrans-69141.117828.6-33000110.5A14 K17P12-A14 PolarHBondContact O-N 2.85Å; P12-K17 HydrophobicContact CB-CB 4.27Å; P12-K17 HydrophobicContact CG-CB 4.47Å; P12-K17 HydrophobicContact CG-CG 4.49Å
13V88.9Confident93.2Very high75 Ų7593.4 Ų93.446%0.45551%0.511SS..PPolyproline II helixtrans-63.8120.8174175.80000109.3V15 F16 K17V13-V15 VanDerWaalsContact C-N 3.35Å; V13-V15 HydrophobicContact CG1-CG1 4.05Å; V13-V15 PolarHBondContact O-N 3.28Å; V13-F16 HydrophobicContact CB-CD2 3.87Å; V13-F16 HydrophobicContact CG1-CD2 3.76Å; V13-F16 HydrophobicContact CG1-CE2 4.26Å; V13-F16 PolarHBondContact O-N 3.33Å; V13-K17 PolarHBondContact O-N 3.47Å
14A89.7Confident93.3Very high45 Ų4593.1 Ų93.137%0.37251%0.505SS..Hα-helixtrans-55.1-43.4-165.100000114P12 F16 K17 L18 M380P12-A14 PolarHBondContact O-N 2.85Å; A14-F16 VanDerWaalsContact C-N 3.31Å; A14-F16 PolarHBondContact O-N 3.47Å; A14-K17 PolarHBondContact O-N 3.21Å; A14-L18 WeakPolarHBondContact O-CB 3.45Å; A14-L18 PolarHBondContact O-N 2.74Å; A14-M380 HydrophobicContact CB-CE 3.94Å
15V88.5Confident93.3Very high29 Ų2986.9 Ų86.918%0.17648%0.479CS..Hα-helixtrans-65.5-32.5-179.966.60000113.1V13 T19 M380V13-V15 VanDerWaalsContact C-N 3.35Å; V13-V15 HydrophobicContact CG1-CG1 4.05Å; V13-V15 PolarHBondContact O-N 3.28Å; V15-T19 PolarHBondContact O-N 2.87Å; V15-T19 PolarHBondContact O-OG1 3.41Å; V15-M380 HydrophobicContact CB-CE 4.42Å; V15-M380 HydrophobicContact CB-SD 4.16Å; V15-M380 HydrophobicContact CG2-SD 4.33Å
16F89.4Confident93.4Very high148 Ų14889 Ų8965%0.64949%0.494SS*.Hα-helixtrans-78.9-38.7177.7-68.9-54.2000111.4V13 A14 T19 A20V13-F16 HydrophobicContact CB-CD2 3.87Å; V13-F16 HydrophobicContact CG1-CD2 3.76Å; V13-F16 HydrophobicContact CG1-CE2 4.26Å; V13-F16 PolarHBondContact O-N 3.33Å; A14-F16 VanDerWaalsContact C-N 3.31Å; A14-F16 PolarHBondContact O-N 3.47Å; F16-T19 PolarHBondContact O-N 2.78Å; F16-A20 PolarHBondContact O-N 2.54Å
17K93.3Very high93.5Very high96 Ų9684.8 Ų84.842%0.41747%0.469SS..Hα-helixtrans-58-48.9171.6-178.457.7166.978.40111.3P12 V13 A14 T19 A20 D21P12-K17 HydrophobicContact CB-CB 4.27Å; P12-K17 HydrophobicContact CG-CB 4.47Å; P12-K17 HydrophobicContact CG-CG 4.49Å; V13-K17 PolarHBondContact O-N 3.47Å; A14-K17 PolarHBondContact O-N 3.21Å; K17-T19 PolarHBondContact O-N 2.87Å; K17-A20 WeakPolarHBondContact O-CA 3.3Å; K17-A20 WeakPolarHBondContact O-CB 3.47Å; K17-A20 PolarHBondContact O-N 3.13Å; K17-D21 IonicContact NZ-OD1 3.45Å; K17-D21 PolarHBondContact NZ-OD1 2.98Å; K17-D21 IonicContact NZ-OD2 2.63Å; K17-D21 PolarHBondContact NZ-OD2 3.19Å; K17-D21 VanDerWaalsContact O-CG 3.22Å; K17-D21 PolarHBondContact O-N 2.75Å
18L93.4Very high93.4Very high16 Ų1686 Ų868%0.08448%0.48CS..Hα-helixtrans-57.4-36.3177-172.873.2000112.5A14 F22 I372 Y378 L379 M380A14-L18 WeakPolarHBondContact O-CB 3.45Å; A14-L18 PolarHBondContact O-N 2.74Å; L18-F22 WeakPolarHBondContact O-CB 3.38Å; L18-F22 PolarHBondContact O-N 2.91Å; L18-I372 HydrophobicContact CD1-CD1 4.07Å; L18-Y378 HydrophobicContact CD1-CD1 3.75Å; L18-Y378 HydrophobicContact CD1-CG 4.37Å; L18-Y378 HydrophobicContact CG-CD1 4.33Å; L18-L379 WeakPolarHBondContact CD2-O 3.46Å; L18-M380 HydrophobicContact CD2-SD 3.98Å
19T92.5Very high93.4Very high16 Ų1685.7 Ų85.710%0.09847%0.468CS..Hα-helixtrans-72.5-35.7176.3-59.50000112.3V15 F16 K17 R23V15-T19 PolarHBondContact O-N 2.87Å; V15-T19 PolarHBondContact O-OG1 3.41Å; F16-T19 PolarHBondContact O-N 2.78Å; K17-T19 PolarHBondContact O-N 2.87Å; T19-R23 VanDerWaalsContact O-CG 3.3Å; T19-R23 WeakPolarHBondContact O-CG 3.4Å; T19-R23 PolarHBondContact O-N 3.33Å; T19-R23 VanDerWaalsContact O-N 3.17Å
20A94.2Very high93.5Very high37 Ų3779.5 Ų79.531%0.30644%0.438SS..Hα-helixtrans-64.3-46.8173.400000110.5F16 K17 F22 R23 E24F16-A20 PolarHBondContact O-N 2.54Å; K17-A20 WeakPolarHBondContact O-CA 3.3Å; K17-A20 WeakPolarHBondContact O-CB 3.47Å; K17-A20 PolarHBondContact O-N 3.13Å; A20-F22 PolarHBondContact O-N 2.63Å; A20-R23 WeakPolarHBondContact O-CA 3.36Å; A20-R23 WeakPolarHBondContact O-CB 3.22Å; A20-R23 PolarHBondContact O-N 3.24Å; A20-E24 PolarHBondContact O-N 3.36Å
21D95.3Very high93.7Very high44 Ų4476 Ų7624%0.23541%0.409CS..Hα-helixtrans-60.9-45.5179.4-61.6-10.2000111.2K17 R23 E24 D25 Y378K17-D21 IonicContact NZ-OD1 3.45Å; K17-D21 PolarHBondContact NZ-OD1 2.98Å; K17-D21 IonicContact NZ-OD2 2.63Å; K17-D21 PolarHBondContact NZ-OD2 3.19Å; K17-D21 VanDerWaalsContact O-CG 3.22Å; K17-D21 PolarHBondContact O-N 2.75Å; D21-R23 PolarHBondContact O-N 2.64Å; D21-E24 PolarHBondContact O-N 3.4Å; D21-D25 PolarHBondContact O-N 2.83Å; D21-D25 VanDerWaalsContact O-N 3.09Å; D21-Y378 HydrophobicContact CB-CD1 4.39Å; D21-Y378 HydrophobicContact CB-CE1 3.8Å
22F95.6Very high94Very high43 Ų4371.6 Ų71.619%0.18938%0.379CS..Hα-helixtrans-57.3-34.6172.6169.7-97000112.9L18 A20 K30 N32 Y378L18-F22 WeakPolarHBondContact O-CB 3.38Å; L18-F22 PolarHBondContact O-N 2.91Å; A20-F22 PolarHBondContact O-N 2.63Å; F22-K30 HydrophobicContact CD2-CB 4.32Å; F22-K30 HydrophobicContact CD2-CD 4.02Å; F22-K30 HydrophobicContact CD2-CG 4.15Å; F22-K30 HydrophobicContact CE2-CB 3.98Å; F22-K30 HydrophobicContact CE2-CD 3.75Å; F22-K30 HydrophobicContact CE2-CG 3.53Å; F22-K30 HydrophobicContact CZ-CD 4.19Å; F22-K30 HydrophobicContact CZ-CG 4.11Å; F22-K30 WeakPolarHBondContact O-CD 3.32Å; F22-K30 WeakPolarHBondContact O-CE 3.18Å; F22-K30 PolarHBondContact O-NZ 3.05Å; F22-N32 HydrophobicContact CD1-CB 3.88Å; F22-N32 HydrophobicContact CD2-CB 3.69Å; F22-N32 HydrophobicContact CE1-CB 3.89Å; F22-N32 HydrophobicContact CE2-CB 3.67Å; F22-N32 HydrophobicContact CG-CB 3.78Å; F22-N32 HydrophobicContact CZ-CB 3.78Å; F22-Y378 HydrophobicContact CB-CD1 4Å; F22-Y378 HydrophobicContact CB-CD2 4.08Å; F22-Y378 HydrophobicContact CB-CE1 4.31Å; F22-Y378 HydrophobicContact CB-CE2 4.38Å; F22-Y378 HydrophobicContact CB-CG 3.89Å; F22-Y378 AromaticContact CD2-CD2 3.66Å; F22-Y378 HydrophobicContact CD2-CD2 3.66Å; F22-Y378 HydrophobicContact CD2-CE2 4.09Å; F22-Y378 HydrophobicContact CD2-CG 4.18Å; F22-Y378 HydrophobicContact CG-CD2 4.37Å
23R94.8Very high94.3Very high188 Ų18867.3 Ų67.371%0.70935%0.351SS*.Hα-helixtrans-73.1-39.1-180-76.3170.4177.8178.6-0.8111.7T19 A20 D21 D25 K30T19-R23 VanDerWaalsContact O-CG 3.3Å; T19-R23 WeakPolarHBondContact O-CG 3.4Å; T19-R23 PolarHBondContact O-N 3.33Å; T19-R23 VanDerWaalsContact O-N 3.17Å; A20-R23 WeakPolarHBondContact O-CA 3.36Å; A20-R23 WeakPolarHBondContact O-CB 3.22Å; A20-R23 PolarHBondContact O-N 3.24Å; D21-R23 PolarHBondContact O-N 2.64Å; R23-D25 VanDerWaalsContact C-N 3.34Å; R23-K30 PolarHBondContact O-NZ 3.48Å
24E96.8Very high94.5Very high159 Ų15963.8 Ų63.874%0.74333%0.329SS*.Hα-helixtrans-71.4-27.9-179.7-69.7175.3-174.600113A20 D21 S26A20-E24 PolarHBondContact O-N 3.36Å; D21-E24 PolarHBondContact O-N 3.4Å; E24-S26 PolarHBondContact O-N 3.46Å
25D97.4Very high94.3Very high23 Ų2363 Ų6312%0.12332%0.32CS..  trans-63.4125.5176.8-169.6-18000112.4D21 R23 H27 K30 H376 Y378D21-D25 PolarHBondContact O-N 2.83Å; D21-D25 VanDerWaalsContact O-N 3.09Å; R23-D25 VanDerWaalsContact C-N 3.34Å; D25-H27 WeakPolarHBondContact OD1-CB 3.33Å; D25-H27 PolarHBondContact OD1-N 2.94Å; D25-K30 HydrophobicContact CB-CD 3.92Å; D25-K30 VanDerWaalsContact O-CD 3.24Å; D25-K30 WeakPolarHBondContact O-CD 3.24Å; D25-K30 WeakPolarHBondContact O-CE 3.43Å; D25-K30 PolarHBondContact O-NZ 2.94Å; D25-H376 IonicContact OD1-CE1 2.75Å; D25-H376 IonicContact OD1-ND1 3.87Å; D25-H376 PolarHBondContact OD1-ND1 3.43Å; D25-H376 IonicContact OD2-CE1 2.54Å; D25-H376 IonicContact OD2-CG 2.63Å; D25-H376 IonicContact OD2-ND1 3.83Å; D25-H376 PolarHBondContact OD2-ND1 3.06Å; D25-Y378 HydrophobicContact CB-CE2 4.33Å; D25-Y378 VanDerWaalsContact CB-OH 3.28Å; D25-Y378 WeakPolarHBondContact CB-OH 3.45Å; D25-Y378 VanDerWaalsContact OD2-CE2 3.3Å; D25-Y378 WeakPolarHBondContact OD2-CE2 3.3Å; D25-Y378 PolarHBondContact OD2-OH 3.12Å
26S97.1Very high94.2Very high118 Ų11862.5 Ų62.583%0.82532%0.321SS*.  trans-92.70.8178.462.30000114.1E24E24-S26 PolarHBondContact O-N 3.46Å
27H97.7Very high94.4Very high56 Ų5655.9 Ų55.926%0.25929%0.293SS..  trans-63.8129.9-175.6-168.1-86.7000111.5D25 Q29 K30 H376D25-H27 WeakPolarHBondContact OD1-CB 3.33Å; D25-H27 PolarHBondContact OD1-N 2.94Å; H27-Q29 PolarHBondContact ND1-N 3.31Å; H27-Q29 PolarHBondContact O-N 3.3Å; H27-K30 VanDerWaalsContact O-CG 3.3Å; H27-K30 WeakPolarHBondContact O-CG 3.24Å; H27-K30 PolarHBondContact O-N 2.98Å; H27-H376 HydrophobicContact CB-CB 4.12Å; H27-H376 WeakPolarHBondContact CB-ND1 3.4Å; H27-H376 AromaticContact CD2-CD2 3.36Å; H27-H376 PolarHBondContact CD2-CD2 2.99Å; H27-H376 AromaticContact CD2-CE1 3.88Å; H27-H376 AromaticContact CD2-NE2 3.24Å; H27-H376 PolarHBondContact CD2-NE2 3.02Å; H27-H376 AromaticContact CE1-CD2 3.88Å; H27-H376 AromaticContact CG-CD2 3.31Å; H27-H376 AromaticContact CG-CE1 3.87Å; H27-H376 AromaticContact CG-CG 3.52Å; H27-H376 AromaticContact CG-ND1 3.86Å; H27-H376 AromaticContact CG-NE2 3.54Å; H27-H376 AromaticContact ND1-CD2 3.63Å; H27-H376 AromaticContact ND1-CG 3.86Å; H27-H376 AromaticContact NE2-CD2 3.77Å; H27-H376 AromaticContact NE2-NE2 3.94Å
28P95.4Very high94.5Very high125 Ų12551.9 Ų51.981%0.81228%0.276SS*.THydrogen-bonded Turntrans-68-21.8-170.826-35.4000114
29Q94.9Very high94.5Very high106 Ų10653.8 Ų53.850%0.49528%0.282SS..THydrogen-bonded Turntrans-103.714.1178.9-57.9-175.6-81.400113.8H27 V31 Y397H27-Q29 PolarHBondContact ND1-N 3.31Å; H27-Q29 PolarHBondContact O-N 3.3Å; Q29-V31 WeakPolarHBondContact O-CG2 3.4Å; Q29-Y397 HydrophobicContact CB-CE1 4.2Å; Q29-Y397 HydrophobicContact CB-CE2 4.43Å
30K97Very high94.6Very high60 Ų6054.4 Ų54.426%0.26129%0.285SS..  trans-58.4141.2179.867.2179-175.5178.80111.9F22 R23 D25 H27 H376 Y378F22-K30 HydrophobicContact CD2-CB 4.32Å; F22-K30 HydrophobicContact CD2-CD 4.02Å; F22-K30 HydrophobicContact CD2-CG 4.15Å; F22-K30 HydrophobicContact CE2-CB 3.98Å; F22-K30 HydrophobicContact CE2-CD 3.75Å; F22-K30 HydrophobicContact CE2-CG 3.53Å; F22-K30 HydrophobicContact CZ-CD 4.19Å; F22-K30 HydrophobicContact CZ-CG 4.11Å; F22-K30 WeakPolarHBondContact O-CD 3.32Å; F22-K30 WeakPolarHBondContact O-CE 3.18Å; F22-K30 PolarHBondContact O-NZ 3.05Å; R23-K30 PolarHBondContact O-NZ 3.48Å; D25-K30 HydrophobicContact CB-CD 3.92Å; D25-K30 VanDerWaalsContact O-CD 3.24Å; D25-K30 WeakPolarHBondContact O-CD 3.24Å; D25-K30 WeakPolarHBondContact O-CE 3.43Å; D25-K30 PolarHBondContact O-NZ 2.94Å; H27-K30 VanDerWaalsContact O-CG 3.3Å; H27-K30 WeakPolarHBondContact O-CG 3.24Å; H27-K30 PolarHBondContact O-N 2.98Å; K30-H376 CarbonylContact C-O 3.54Å; K30-H376 VanDerWaalsContact CA-O 3.25Å; K30-H376 WeakPolarHBondContact CA-O 3.5Å; K30-H376 HydrophobicContact CB-CB 3.96Å; K30-Y378 HydrophobicContact CB-CE2 4.49Å
31V97.2Very high94.6Very high6 Ų655 Ų554%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-128.3132.8-179.7-1750000110.6Q29 L33 H376 V377 Y378 N394 Y397 V398Q29-V31 WeakPolarHBondContact O-CG2 3.4Å; V31-L33 HydrophobicContact CG1-CD2 3.68Å; V31-L33 HydrophobicContact CG1-CG 3.95Å; V31-H376 PolarHBondContact N-O 2.99Å; V31-V377 HydrophobicContact CB-CG2 4.44Å; V31-Y378 PolarHBondContact O-N 3.08Å; V31-N394 HydrophobicContact CG2-CB 4.12Å; V31-Y397 HydrophobicContact CG2-CD1 4.29Å; V31-V398 HydrophobicContact CB-CG2 4.32Å; V31-V398 HydrophobicContact CG1-CG2 4.04Å; V31-V398 HydrophobicContact CG2-CG2 4.05Å
32N95.8Very high94.5Very high23 Ų2357.5 Ų57.512%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-101.9104.8174.2-169.7-24000110.9F22 G34 V35F22-N32 HydrophobicContact CD1-CB 3.88Å; F22-N32 HydrophobicContact CD2-CB 3.69Å; F22-N32 HydrophobicContact CE1-CB 3.89Å; F22-N32 HydrophobicContact CE2-CB 3.67Å; F22-N32 HydrophobicContact CG-CB 3.78Å; F22-N32 HydrophobicContact CZ-CB 3.78Å; N32-G34 PolarHBondContact OD1-N 3.04Å; N32-V35 PolarHBondContact OD1-N 3.33Å
33L96.6Very high94.2Very high1 Ų158.1 Ų58.11%0.00531%0.306CS..  trans-105.110.9171.3-52.5-178.5000111.7V31 V377 Y378 L379 I385 N386 L390 V398V31-L33 HydrophobicContact CG1-CD2 3.68Å; V31-L33 HydrophobicContact CG1-CG 3.95Å; L33-V377 HydrophobicContact CD1-CG1 3.69Å; L33-V377 HydrophobicContact CG-CG1 4.23Å; L33-Y378 CarbonylContact C-O 3.32Å; L33-Y378 VanDerWaalsContact C-O 3.32Å; L33-Y378 VanDerWaalsContact CA-O 3.27Å; L33-Y378 WeakPolarHBondContact CA-O 3.37Å; L33-Y378 WeakPolarHBondContact CB-O 3.47Å; L33-Y378 PolarHBondContact N-O 3.41Å; L33-L379 HydrophobicContact CB-CB 4.38Å; L33-I385 HydrophobicContact CB-CB 4.03Å; L33-I385 HydrophobicContact CB-CG2 4.13Å; L33-I385 HydrophobicContact CD1-CB 4.26Å; L33-I385 HydrophobicContact CD1-CG2 3.95Å; L33-I385 CarbonylContact O-C 3.47Å; L33-I385 WeakPolarHBondContact O-CA 3.5Å; L33-N386 WeakPolarHBondContact O-CB 3.41Å; L33-N386 PolarHBondContact O-N 2.86Å; L33-L390 HydrophobicContact CD1-CD2 4.39Å; L33-L390 HydrophobicContact CD2-CD2 3.86Å; L33-L390 HydrophobicContact CD2-CG 4.12Å; L33-V398 HydrophobicContact CD1-CG1 3.97Å
34G91.5Very high94.1Very high0 Ų054.7 Ų54.70%030%0.298CS..  trans-91-50-174.500000114.2N32 Y378 R384N32-G34 PolarHBondContact OD1-N 3.04Å; G34-Y378 PolarHBondContact N-O 3.26Å; G34-Y378 VanDerWaalsContact N-O 3.16Å; G34-R384 PolarHBondContact O-NH2 2.94Å
35V85.8Confident94Very high29 Ų2951.2 Ų51.218%0.17629%0.29CS..SBendtrans-67.8134.5-171.165.80000111.7N32 A37 N386N32-V35 PolarHBondContact OD1-N 3.33Å; V35-A37 VanDerWaalsContact C-N 3.27Å; V35-A37 HydrophobicContact CG2-CB 4.22Å; V35-A37 PolarHBondContact O-N 3.22Å; V35-N386 WeakPolarHBondContact O-CB 3.38Å; V35-N386 PolarHBondContact O-ND2 2.98Å
36G87.4Confident93.9Very high19 Ų1953.1 Ų53.120%0.19630%0.295CS..  trans-82.455.9177.600000114.4M357G36-M357 VanDerWaalsContact C-CE 3.48Å; G36-M357 VanDerWaalsContact C-SD 3.54Å
37A92.7Very high93.9Very high8 Ų850.7 Ų50.77%0.06628%0.275CS..SBendtrans-135.8141179.200000112.1V35 Y261 M357 N386V35-A37 VanDerWaalsContact C-N 3.27Å; V35-A37 HydrophobicContact CG2-CB 4.22Å; V35-A37 PolarHBondContact O-N 3.22Å; A37-Y261 HydrophobicContact CB-CD1 4.27Å; A37-Y261 HydrophobicContact CB-CE1 3.83Å; A37-Y261 HydrophobicContact CB-CE2 4.49Å; A37-M357 WeakPolarHBondContact O-CE 3.25Å; A37-N386 PolarHBondContact O-ND2 2.7Å; A37-N386 VanDerWaalsContact O-ND2 3.09Å
38Y95.3Very high93.9Very high13 Ų1348 Ų485%0.05126%0.263CS..  trans-67.5145.9-179.7177.7-96.9000110.4W46 F226 Y261 M324 C388Y38-W46 HydrophobicContact CD1-CB 3.75Å; Y38-W46 HydrophobicContact CD1-CE3 4.09Å; Y38-W46 HydrophobicContact CE1-CB 3.64Å; Y38-W46 AromaticContact CE1-CD2 3.96Å; Y38-W46 HydrophobicContact CE1-CD2 3.96Å; Y38-W46 AromaticContact CE1-CE3 3.58Å; Y38-W46 HydrophobicContact CE1-CE3 3.58Å; Y38-W46 HydrophobicContact CE1-CG 4.04Å; Y38-W46 HydrophobicContact CE1-CZ3 4.5Å; Y38-F226 AromaticContact CD2-CE2 3.78Å; Y38-F226 HydrophobicContact CD2-CE2 3.78Å; Y38-F226 AromaticContact CD2-CZ 3.86Å; Y38-F226 HydrophobicContact CD2-CZ 3.86Å; Y38-F226 HydrophobicContact CG-CE2 4.24Å; Y38-F226 HydrophobicContact CG-CZ 4.46Å; Y38-Y261 WeakPolarHBondContact CB-OH 3.25Å; Y38-Y261 PolarHBondContact N-OH 3.21Å; Y38-M324 HydrophobicContact CD1-CG 4.13Å; Y38-M324 HydrophobicContact CD1-SD 3.82Å; Y38-M324 HydrophobicContact CD2-CB 3.93Å; Y38-M324 HydrophobicContact CD2-CG 4.08Å; Y38-M324 HydrophobicContact CD2-SD 4.18Å; Y38-M324 HydrophobicContact CE1-CG 3.82Å; Y38-M324 HydrophobicContact CE1-SD 4.11Å; Y38-M324 HydrophobicContact CE2-CB 3.56Å; Y38-M324 HydrophobicContact CE2-CG 3.76Å; Y38-M324 HydrophobicContact CE2-SD 4.44Å; Y38-M324 HydrophobicContact CG-CG 4.24Å; Y38-M324 HydrophobicContact CG-SD 3.85Å; Y38-C388 HydrophobicContact CD2-CB 4.33Å
39R94.4Very high94Very high56 Ų5644.7 Ų44.721%0.21124%0.241CC..  trans-136.5150176.9-59.7-67.1-180-100.91.9110.3C43 Q44 C388R39-C43 WeakPolarHBondContact CD-O 3.46Å; R39-Q44 CarbonylContact C-O 3.51Å; R39-Q44 VanDerWaalsContact CA-O 3.25Å; R39-Q44 WeakPolarHBondContact CA-O 3.39Å; R39-Q44 WeakPolarHBondContact CD-O 3.49Å; R39-C388 WeakPolarHBondContact CB-O 3.46Å
40T94.1Very high94.2Very high28 Ų2839.7 Ų39.717%0.17222%0.217CC..  trans-69.7174.5168.466.20000110.9D42 C43 Q44 W46T40-D42 PolarHBondContact O-N 3.19Å; T40-D42 VanDerWaalsContact O-N 3.16Å; T40-D42 PolarHBondContact OG1-N 3.24Å; T40-C43 PolarHBondContact O-N 2.92Å; T40-Q44 PolarHBondContact N-O 2.97Å; T40-Q44 PolarHBondContact OG1-N 2.76Å; T40-W46 HydrophobicContact CG2-CB 3.77Å; T40-W46 HydrophobicContact CG2-CG 4.04Å
41D94.1Very high94.3Very high51 Ų5136.9 Ų36.927%0.27321%0.205SC..THydrogen-bonded Turntrans-64.9-12.9173.3-156.155.9000113.8C43 R327 T391 S392D41-C43 VanDerWaalsContact C-N 3.34Å; D41-R327 IonicContact OD1-NH1 3.81Å; D41-T391 VanDerWaalsContact O-CB 3.24Å; D41-T391 WeakPolarHBondContact O-CB 3.42Å; D41-T391 WeakPolarHBondContact O-CG2 3.45Å; D41-T391 VanDerWaalsContact OD1-CA 3.3Å; D41-T391 WeakPolarHBondContact OD1-CA 3.29Å; D41-T391 WeakPolarHBondContact OD1-CB 3.39Å; D41-S392 PolarHBondContact OD1-N 3.04Å; D41-S392 WeakPolarHBondContact OD2-CB 3.38Å; D41-S392 PolarHBondContact OD2-OG 3.44Å
42D92.3Very high94.3Very high95 Ų9541.4 Ų41.451%0.50823%0.225SC..THydrogen-bonded Turntrans-9514.4171.7-60.3-53.1000113T40 Q44 K393T40-D42 PolarHBondContact O-N 3.19Å; T40-D42 VanDerWaalsContact O-N 3.16Å; T40-D42 PolarHBondContact OG1-N 3.24Å; D42-Q44 HydrophobicContact CB-CG 4.17Å; D42-Q44 PolarHBondContact O-N 2.96Å; D42-Q44 VanDerWaalsContact O-N 3.14Å; D42-Q44 PolarHBondContact O-NE2 3.22Å; D42-K393 IonicContact OD1-NZ 3.53Å; D42-K393 PolarHBondContact OD1-NZ 3.49Å
43C89.9Confident94.4Very high57 Ų5744 Ų4439%0.38524%0.235SC..SBendtrans57.723.1-175.6-70.10000114.2R39 T40 D41 T391R39-C43 WeakPolarHBondContact CD-O 3.46Å; T40-C43 PolarHBondContact O-N 2.92Å; D41-C43 VanDerWaalsContact C-N 3.34Å; C43-T391 WeakPolarHBondContact SG-CG2 3.28Å
44Q92.7Very high94.5Very high115 Ų11544 Ų4454%0.53724%0.235SC..  trans-94.6150.4179.1-60.8-52.8-50.800111.8R39 T40 D42 W46R39-Q44 CarbonylContact C-O 3.51Å; R39-Q44 VanDerWaalsContact CA-O 3.25Å; R39-Q44 WeakPolarHBondContact CA-O 3.39Å; R39-Q44 WeakPolarHBondContact CD-O 3.49Å; T40-Q44 PolarHBondContact N-O 2.97Å; T40-Q44 PolarHBondContact OG1-N 2.76Å; D42-Q44 HydrophobicContact CB-CG 4.17Å; D42-Q44 PolarHBondContact O-N 2.96Å; D42-Q44 VanDerWaalsContact O-N 3.14Å; D42-Q44 PolarHBondContact O-NE2 3.22Å; Q44-W46 PolarHBondContact O-N 2.9Å
45P93.9Very high94.9Very high87 Ų8747.1 Ų47.157%0.56525%0.249SC*.  trans-55138.6165.4-22.533.9000110.9
46W95.4Very high95.4Very high63 Ų6352.4 Ų52.424%0.23927%0.266CS..  trans-109.9112.5175.2-16953.3000109.9Y38 T40 Q44 L48 P49 N320 T323 M324Y38-W46 HydrophobicContact CD1-CB 3.75Å; Y38-W46 HydrophobicContact CD1-CE3 4.09Å; Y38-W46 HydrophobicContact CE1-CB 3.64Å; Y38-W46 AromaticContact CE1-CD2 3.96Å; Y38-W46 HydrophobicContact CE1-CD2 3.96Å; Y38-W46 AromaticContact CE1-CE3 3.58Å; Y38-W46 HydrophobicContact CE1-CE3 3.58Å; Y38-W46 HydrophobicContact CE1-CG 4.04Å; Y38-W46 HydrophobicContact CE1-CZ3 4.5Å; T40-W46 HydrophobicContact CG2-CB 3.77Å; T40-W46 HydrophobicContact CG2-CG 4.04Å; Q44-W46 PolarHBondContact O-N 2.9Å; W46-L48 HydrophobicContact CE3-CD1 3.69Å; W46-L48 HydrophobicContact CE3-CG 4.1Å; W46-L48 HydrophobicContact CH2-CG 4.3Å; W46-L48 HydrophobicContact CZ3-CD1 3.81Å; W46-L48 HydrophobicContact CZ3-CG 3.75Å; W46-P49 HydrophobicContact CZ2-CG 4.01Å; W46-N320 HydrophobicContact CH2-CB 3.98Å; W46-N320 HydrophobicContact CZ3-CB 4.38Å; W46-T323 HydrophobicContact CH2-CG2 4.48Å; W46-M324 HydrophobicContact CE3-CG 3.62Å; W46-M324 HydrophobicContact CE3-SD 3.69Å; W46-M324 HydrophobicContact CH2-CG 4.39Å; W46-M324 HydrophobicContact CZ3-CE 4.38Å; W46-M324 HydrophobicContact CZ3-CG 3.29Å; W46-M324 HydrophobicContact CZ3-SD 3.71Å
47V96.9Very high95.9Very high66 Ų6654.9 Ų54.940%0.427%0.274SS..  trans-85.5118.9167-176.80000107V51 K52V47-V51 HydrophobicContact CG1-CB 4.43Å; V47-V51 HydrophobicContact CG1-CG1 4.11Å; V47-K52 HydrophobicContact CB-CG 4.28Å; V47-K52 HydrophobicContact CG1-CD 4.39Å; V47-K52 HydrophobicContact CG1-CG 3.59Å
48L98.1Very high96.2Very high1 Ų155.1 Ų55.11%0.00528%0.275CS..  trans-56136.2-175.9-86.165.1000110.7W46 V50 V51 K52 N320 M324W46-L48 HydrophobicContact CE3-CD1 3.69Å; W46-L48 HydrophobicContact CE3-CG 4.1Å; W46-L48 HydrophobicContact CH2-CG 4.3Å; W46-L48 HydrophobicContact CZ3-CD1 3.81Å; W46-L48 HydrophobicContact CZ3-CG 3.75Å; L48-V50 VanDerWaalsContact C-N 3.26Å; L48-V50 HydrophobicContact CB-CG1 4.21Å; L48-V50 HydrophobicContact CD2-CG1 4.43Å; L48-V50 PolarHBondContact O-N 3.01Å; L48-V51 HydrophobicContact CB-CB 4.17Å; L48-V51 HydrophobicContact CB-CG2 3.91Å; L48-V51 WeakPolarHBondContact O-CB 3.43Å; L48-V51 PolarHBondContact O-N 3.18Å; L48-K52 PolarHBondContact O-N 3.47Å; L48-K52 VanDerWaalsContact O-N 3.1Å; L48-N320 HydrophobicContact CB-CB 4.5Å; L48-N320 HydrophobicContact CD2-CB 3.76Å; L48-N320 HydrophobicContact CG-CB 3.95Å; L48-M324 HydrophobicContact CD1-CE 4.01Å; L48-M324 HydrophobicContact CD1-SD 4.01Å; L48-M324 HydrophobicContact CD2-CE 4.12Å; L48-M324 HydrophobicContact CG-CE 4.42Å
49P98.3Very high96.2Very high55 Ų5560.4 Ų60.436%0.35731%0.308SS..Hα-helixtrans-49.8-43.9175.1-30.734.6000113.8W46 V51 K52 K53 N320W46-P49 HydrophobicContact CZ2-CG 4.01Å; P49-V51 VanDerWaalsContact C-N 3.31Å; P49-V51 PolarHBondContact O-N 2.94Å; P49-K52 PolarHBondContact O-N 3.04Å; P49-K53 WeakPolarHBondContact O-CB 3.4Å; P49-K53 PolarHBondContact O-N 2.87Å; P49-N320 VanDerWaalsContact CD-OD1 3.3Å; P49-N320 WeakPolarHBondContact CD-OD1 3.35Å
50V98.6Very high96.3Very high0 Ų064.3 Ų64.30%033%0.329CS..Hα-helixtrans-63.6-36.317872.10000112.4L48 K53 V54 T307 L313 E316 W317 N320L48-V50 VanDerWaalsContact C-N 3.26Å; L48-V50 HydrophobicContact CB-CG1 4.21Å; L48-V50 HydrophobicContact CD2-CG1 4.43Å; L48-V50 PolarHBondContact O-N 3.01Å; V50-K53 WeakPolarHBondContact O-CB 3.47Å; V50-K53 PolarHBondContact O-N 3.37Å; V50-V54 WeakPolarHBondContact O-CG2 3.47Å; V50-V54 PolarHBondContact O-N 3.04Å; V50-T307 HydrophobicContact CG2-CG2 3.97Å; V50-L313 HydrophobicContact CG2-CB 4.08Å; V50-L313 HydrophobicContact CG2-CD2 4.07Å; V50-L313 WeakPolarHBondContact CG2-O 3.33Å; V50-E316 HydrophobicContact CB-CB 4.43Å; V50-E316 HydrophobicContact CB-CG 4.01Å; V50-E316 HydrophobicContact CG2-CB 4.25Å; V50-E316 HydrophobicContact CG2-CG 4.31Å; V50-W317 HydrophobicContact CG1-CB 3.91Å; V50-W317 HydrophobicContact CG1-CG 4.43Å; V50-W317 HydrophobicContact CG2-CB 4.43Å; V50-N320 WeakPolarHBondContact CG1-OD1 3.27Å; V50-N320 PolarHBondContact N-OD1 3.39Å
51V98.6Very high96.4Very high1 Ų165 Ų651%0.00633%0.331CS..Hα-helixtrans-65.4-49.6177.6168.50000109.7V47 L48 P49 K53 V54 E55 F258 L260 I303V47-V51 HydrophobicContact CG1-CB 4.43Å; V47-V51 HydrophobicContact CG1-CG1 4.11Å; L48-V51 HydrophobicContact CB-CB 4.17Å; L48-V51 HydrophobicContact CB-CG2 3.91Å; L48-V51 WeakPolarHBondContact O-CB 3.43Å; L48-V51 PolarHBondContact O-N 3.18Å; P49-V51 VanDerWaalsContact C-N 3.31Å; P49-V51 PolarHBondContact O-N 2.94Å; V51-K53 PolarHBondContact O-N 3.48Å; V51-V54 PolarHBondContact O-N 3.39Å; V51-V54 VanDerWaalsContact O-N 3.13Å; V51-E55 HydrophobicContact CG1-CG 4.32Å; V51-E55 WeakPolarHBondContact O-CG 3.4Å; V51-E55 PolarHBondContact O-N 3.32Å; V51-F258 HydrophobicContact CG2-CD1 4.01Å; V51-L260 HydrophobicContact CG1-CD2 3.92Å; V51-I303 HydrophobicContact CG1-CG2 4.18Å; V51-I303 HydrophobicContact CG2-CG2 4.27Å
52K98.3Very high96.5Very high102 Ų10270.4 Ų70.444%0.44336%0.36SS..Hα-helixtrans-57.9-37.6175.9-63.7-172.3-176.6-177.40112.4V47 L48 P49 R56V47-K52 HydrophobicContact CB-CG 4.28Å; V47-K52 HydrophobicContact CG1-CD 4.39Å; V47-K52 HydrophobicContact CG1-CG 3.59Å; L48-K52 PolarHBondContact O-N 3.47Å; L48-K52 VanDerWaalsContact O-N 3.1Å; P49-K52 PolarHBondContact O-N 3.04Å; K52-R56 PolarHBondContact O-N 2.93Å
53K98.6Very high96.6Very high78 Ų7870.2 Ų70.234%0.33937%0.366SS..Hα-helixtrans-64.3-49.6177.3-175.7-176.9-65.9179.40110.4P49 V50 V51 R56 L57 L313 E316P49-K53 WeakPolarHBondContact O-CB 3.4Å; P49-K53 PolarHBondContact O-N 2.87Å; V50-K53 WeakPolarHBondContact O-CB 3.47Å; V50-K53 PolarHBondContact O-N 3.37Å; V51-K53 PolarHBondContact O-N 3.48Å; K53-R56 PolarHBondContact O-N 3.4Å; K53-L57 WeakPolarHBondContact O-CG 3.41Å; K53-L57 PolarHBondContact O-N 3.03Å; K53-L313 HydrophobicContact CD-CD2 3.72Å; K53-L313 HydrophobicContact CG-CD2 4.44Å; K53-E316 WeakPolarHBondContact CE-OE2 3.47Å; K53-E316 VanDerWaalsContact NZ-CD 3.3Å; K53-E316 IonicContact NZ-OE1 2.8Å; K53-E316 PolarHBondContact NZ-OE1 3.37Å; K53-E316 IonicContact NZ-OE2 2.67Å; K53-E316 PolarHBondContact NZ-OE2 3.25Å
54V98.5Very high96.8Very high0 Ų070.1 Ų70.10%036%0.362CS..Hα-helixtrans-66.1-38.5179.4172.80000112.2V50 V51 R56 L57 L58 I303 K306 T307 L313V50-V54 WeakPolarHBondContact O-CG2 3.47Å; V50-V54 PolarHBondContact O-N 3.04Å; V51-V54 PolarHBondContact O-N 3.39Å; V51-V54 VanDerWaalsContact O-N 3.13Å; V54-R56 VanDerWaalsContact C-N 3.29Å; V54-R56 PolarHBondContact O-N 3.17Å; V54-L57 WeakPolarHBondContact O-CB 3.42Å; V54-L57 PolarHBondContact O-N 2.7Å; V54-L57 VanDerWaalsContact O-N 3.09Å; V54-L58 HydrophobicContact CG1-CD1 4.2Å; V54-L58 HydrophobicContact CG1-CG 4.17Å; V54-L58 WeakPolarHBondContact O-CG 3.34Å; V54-L58 PolarHBondContact O-N 2.92Å; V54-I303 HydrophobicContact CG1-CB 4.36Å; V54-I303 HydrophobicContact CG1-CG1 4.46Å; V54-I303 HydrophobicContact CG1-CG2 4.23Å; V54-K306 HydrophobicContact CG1-CB 3.84Å; V54-K306 HydrophobicContact CG1-CG 4.22Å; V54-T307 WeakPolarHBondContact CG2-OG1 3.34Å; V54-L313 HydrophobicContact CG2-CD1 3.62Å; V54-L313 HydrophobicContact CG2-CD2 4.17Å; V54-L313 HydrophobicContact CG2-CG 4.42Å
55E98.3Very high96.9Very high66 Ų6668.6 Ų68.631%0.30836%0.357SS..Hα-helixtrans-55.7-44.1174.5-75173.5148.300111.9V51 L58 V59 I303V51-E55 HydrophobicContact CG1-CG 4.32Å; V51-E55 WeakPolarHBondContact O-CG 3.4Å; V51-E55 PolarHBondContact O-N 3.32Å; E55-L58 PolarHBondContact O-N 3.06Å; E55-V59 WeakPolarHBondContact O-CG2 3.4Å; E55-V59 PolarHBondContact O-N 2.89Å; E55-I303 HydrophobicContact CG-CD1 3.74Å; E55-I303 HydrophobicContact CG-CG1 4.28Å
56R98.1Very high96.9Very high140 Ų14072.5 Ų72.553%0.52837%0.367SS..Hα-helixtrans-61.8-45.1174.2-70.1-171.3-63.3-93.43.2112.1K52 K53 V54 L58 V59 E60K52-R56 PolarHBondContact O-N 2.93Å; K53-R56 PolarHBondContact O-N 3.4Å; V54-R56 VanDerWaalsContact C-N 3.29Å; V54-R56 PolarHBondContact O-N 3.17Å; R56-L58 VanDerWaalsContact C-N 3.26Å; R56-L58 PolarHBondContact O-N 3.24Å; R56-V59 PolarHBondContact O-N 2.8Å; R56-V59 VanDerWaalsContact O-N 3.17Å; R56-E60 WeakPolarHBondContact O-CG 3.49Å; R56-E60 PolarHBondContact O-N 3.37Å; R56-E60 VanDerWaalsContact O-N 3.14Å
57L97.8Very high97Very high70 Ų7075.9 Ų75.937%0.36639%0.386SS..Hα-helixtrans-59.7-37177.2-64.5174.8000112.2K53 V54 D61 L313K53-L57 WeakPolarHBondContact O-CG 3.41Å; K53-L57 PolarHBondContact O-N 3.03Å; V54-L57 WeakPolarHBondContact O-CB 3.42Å; V54-L57 PolarHBondContact O-N 2.7Å; V54-L57 VanDerWaalsContact O-N 3.09Å; L57-D61 WeakPolarHBondContact O-CB 3.24Å; L57-D61 PolarHBondContact O-N 3.23Å; L57-L313 HydrophobicContact CD1-CD1 4.37Å
58L97.4Very high97.1Very high14 Ų1481.8 Ų81.87%0.07340%0.402CS..Hα-helixtrans-70.9-36.6177.7-65.8177.8000112.1V54 E55 R56 E60 D61 L64 R302 I303V54-L58 HydrophobicContact CG1-CD1 4.2Å; V54-L58 HydrophobicContact CG1-CG 4.17Å; V54-L58 WeakPolarHBondContact O-CG 3.34Å; V54-L58 PolarHBondContact O-N 2.92Å; E55-L58 PolarHBondContact O-N 3.06Å; R56-L58 VanDerWaalsContact C-N 3.26Å; R56-L58 PolarHBondContact O-N 3.24Å; L58-E60 VanDerWaalsContact C-N 3.27Å; L58-E60 PolarHBondContact O-N 3.09Å; L58-D61 PolarHBondContact O-N 3.02Å; L58-L64 HydrophobicContact CB-CD1 4.14Å; L58-L64 HydrophobicContact CD2-CD1 3.68Å; L58-L64 HydrophobicContact CG-CD1 4.5Å; L58-R302 HydrophobicContact CD1-CB 3.89Å; L58-R302 HydrophobicContact CD2-CB 4.03Å; L58-I303 HydrophobicContact CD1-CG1 3.58Å
59V96.3Very high97.1Very high123 Ų12382.8 Ų82.875%0.74541%0.408SS*.Hα-helixtrans-65.9-32.7177169.80000111.6E55 R56E55-V59 WeakPolarHBondContact O-CG2 3.4Å; E55-V59 PolarHBondContact O-N 2.89Å; R56-V59 PolarHBondContact O-N 2.8Å; R56-V59 VanDerWaalsContact O-N 3.17Å
60E96.6Very high97.1Very high139 Ų13983.5 Ų83.565%0.6541%0.412SS*.THydrogen-bonded Turntrans-85.5-8.9-179.4-66.8171.7-178.400113.5R56 L58 N62R56-E60 WeakPolarHBondContact O-CG 3.49Å; R56-E60 PolarHBondContact O-N 3.37Å; R56-E60 VanDerWaalsContact O-N 3.14Å; L58-E60 VanDerWaalsContact C-N 3.27Å; L58-E60 PolarHBondContact O-N 3.09Å; E60-N62 PolarHBondContact O-N 3.19Å
61D96.1Very high97.1Very high43 Ų4386 Ų8623%0.2343%0.425CS..  trans-85.892.9-175.5-168.7-19.7000111.9L57 L58 S63 L64 K306L57-D61 WeakPolarHBondContact O-CB 3.24Å; L57-D61 PolarHBondContact O-N 3.23Å; L58-D61 PolarHBondContact O-N 3.02Å; D61-S63 PolarHBondContact O-N 3.23Å; D61-S63 WeakPolarHBondContact OD1-CB 3.44Å; D61-S63 PolarHBondContact OD1-N 2.99Å; D61-S63 VanDerWaalsContact OD1-N 3.08Å; D61-S63 PolarHBondContact OD1-OG 2.73Å; D61-L64 HydrophobicContact CB-CD1 3.87Å; D61-L64 HydrophobicContact CB-CG 3.94Å; D61-L64 WeakPolarHBondContact O-CB 3.36Å; D61-L64 PolarHBondContact O-N 3.4Å; D61-L64 VanDerWaalsContact O-N 3.07Å; D61-K306 IonicContact OD2-NZ 3.18Å; D61-K306 PolarHBondContact OD2-NZ 3.2Å
62N95.4Very high97.1Very high163 Ų16386.5 Ų86.587%0.87243%0.427SS*.THydrogen-bonded Turntrans-62.9-9.1179.7-65.9-47.3000114.7E60 L64E60-N62 PolarHBondContact O-N 3.19Å; N62-L64 VanDerWaalsContact C-N 3.33Å
63S95.2Very high97.1Very high91 Ų9181.6 Ų81.664%0.63641%0.406SS*.THydrogen-bonded Turntrans-81.1-16.9175760000112.9D61D61-S63 PolarHBondContact O-N 3.23Å; D61-S63 WeakPolarHBondContact OD1-CB 3.44Å; D61-S63 PolarHBondContact OD1-N 2.99Å; D61-S63 VanDerWaalsContact OD1-N 3.08Å; D61-S63 PolarHBondContact OD1-OG 2.73Å
64L94.9Very high97.1Very high56 Ų5679.1 Ų79.129%0.29340%0.396SS..  trans-78.4139.6-179-61.2-178.9000111.3L58 D61 N62L58-L64 HydrophobicContact CB-CD1 4.14Å; L58-L64 HydrophobicContact CD2-CD1 3.68Å; L58-L64 HydrophobicContact CG-CD1 4.5Å; D61-L64 HydrophobicContact CB-CD1 3.87Å; D61-L64 HydrophobicContact CB-CG 3.94Å; D61-L64 WeakPolarHBondContact O-CB 3.36Å; D61-L64 PolarHBondContact O-N 3.4Å; D61-L64 VanDerWaalsContact O-N 3.07Å; N62-L64 VanDerWaalsContact C-N 3.33Å
65N93.6Very high97.1Very high82 Ų8281.6 Ų81.644%0.43941%0.413SS..  trans-129.7-179.6172.562.151.5000110.5E67 R302N65-E67 HydrophobicContact CB-CG 4.44Å; N65-E67 VanDerWaalsContact OD1-CB 3.29Å; N65-E67 WeakPolarHBondContact OD1-CB 3.46Å; N65-E67 WeakPolarHBondContact OD1-CG 3.3Å; N65-E67 PolarHBondContact OD1-N 2.82Å; N65-R302 PolarHBondContact O-NH1 2.89Å; N65-R302 PolarHBondContact O-NH2 3.09Å
66H94.9Very high97.1Very high169 Ų16983.2 Ų83.278%0.78242%0.42SS*.  trans-108.823.5178.1-62.5-77.4000112.7
67E96.9Very high97.1Very high134 Ų13476.6 Ų76.663%0.62640%0.395SS*.PPolyproline II helixtrans-66.4159.9173.9-63.2-58142.700111.4N65 L69N65-E67 HydrophobicContact CB-CG 4.44Å; N65-E67 VanDerWaalsContact OD1-CB 3.29Å; N65-E67 WeakPolarHBondContact OD1-CB 3.46Å; N65-E67 WeakPolarHBondContact OD1-CG 3.3Å; N65-E67 PolarHBondContact OD1-N 2.82Å; E67-L69 PolarHBondContact O-N 3.19Å
68Y98.1Very high97.2Very high191 Ų19175.3 Ų75.375%0.74939%0.386SS*.PPolyproline II helixtrans-60137.2178.1-65.7-60.2000112N295Y68-N295 WeakPolarHBondContact CD1-ND2 3.47Å; Y68-N295 WeakPolarHBondContact CD1-OD1 3.35Å
69L98.1Very high97.2Very high22 Ų2277.3 Ų77.312%0.11540%0.401CS..PPolyproline II helixtrans-71.8162168.3-69.1-172.3000111E67 L74 N295E67-L69 PolarHBondContact O-N 3.19Å; L69-L74 HydrophobicContact CD1-CB 4.1Å; L69-L74 HydrophobicContact CD2-CB 4.47Å; L69-L74 HydrophobicContact CD2-CD1 4.29Å; L69-N295 WeakPolarHBondContact O-CB 3.4Å
70P98.5Very high97.3Very high69 Ų6971.7 Ų71.745%0.44837%0.367SS..PPolyproline II helixtrans-50.6152.7161.6-24.834.8000111.1L72 G73P70-L72 VanDerWaalsContact C-N 3.28Å; P70-L72 PolarHBondContact O-N 2.98Å; P70-G73 VanDerWaalsContact O-CA 3.3Å; P70-G73 WeakPolarHBondContact O-CA 3.39Å; P70-G73 PolarHBondContact O-N 3.36Å
71I98.8Very high97.4Very high54 Ų5465.1 Ų65.128%0.27734%0.336SS..THydrogen-bonded Turntrans-56.1-43.8-175.6-65.7173.7000111.4G73 E286 V289 R290 P296I71-G73 PolarHBondContact O-N 3.18Å; I71-E286 HydrophobicContact CB-CG 4.34Å; I71-E286 HydrophobicContact CG2-CB 3.98Å; I71-E286 HydrophobicContact CG2-CG 4.13Å; I71-E286 WeakPolarHBondContact CG2-O 3.38Å; I71-V289 HydrophobicContact CG2-CB 3.93Å; I71-V289 HydrophobicContact CG2-CG1 3.81Å; I71-V289 WeakPolarHBondContact O-CG1 3.28Å; I71-R290 HydrophobicContact CD1-CB 4.42Å; I71-R290 HydrophobicContact CG2-CB 4.38Å; I71-P296 WeakPolarHBondContact O-CD 3.28Å
72L98.6Very high97.5Very high10 Ų1063.2 Ų63.25%0.05233%0.326CS..THydrogen-bonded Turntrans-74.5-6.9176.8-58.8-178.2000113.6P70 R78 V101 Q102 L282 M285 E286P70-L72 VanDerWaalsContact C-N 3.28Å; P70-L72 PolarHBondContact O-N 2.98Å; L72-R78 WeakPolarHBondContact O-CD 3.37Å; L72-R78 PolarHBondContact O-NE 3.4Å; L72-V101 HydrophobicContact CD2-CB 4.47Å; L72-V101 HydrophobicContact CD2-CG1 3.9Å; L72-V101 HydrophobicContact CD2-CG2 4.02Å; L72-Q102 WeakPolarHBondContact O-CB 3.25Å; L72-Q102 PolarHBondContact O-N 2.94Å; L72-L282 HydrophobicContact CD1-CB 4.15Å; L72-L282 HydrophobicContact CD1-CD2 4.3Å; L72-M285 HydrophobicContact CD2-CB 4.14Å; L72-E286 HydrophobicContact CD1-CG 4.03Å; L72-E286 HydrophobicContact CD2-CB 4.4Å; L72-E286 HydrophobicContact CD2-CG 3.53Å; L72-E286 HydrophobicContact CG-CG 3.58Å
73G98.6Very high97.6Very high0 Ų059.1 Ų59.10%030%0.301CS..  trans93-171.8-179.200000115P70 I71 P75 R78 P296P70-G73 VanDerWaalsContact O-CA 3.3Å; P70-G73 WeakPolarHBondContact O-CA 3.39Å; P70-G73 PolarHBondContact O-N 3.36Å; I71-G73 PolarHBondContact O-N 3.18Å; G73-P75 WeakPolarHBondContact O-CD 3.36Å; G73-R78 PolarHBondContact O-NE 3.16Å; G73-P296 VanDerWaalsContact CA-CG 3.45Å
74L98.5Very high97.8Very high25 Ų2555.4 Ų55.413%0.13127%0.274CS..  trans-64.3116.5-170.7-177.166.6000110.7L69 E76 F77 R78 A301 R302L69-L74 HydrophobicContact CD1-CB 4.1Å; L69-L74 HydrophobicContact CD2-CB 4.47Å; L69-L74 HydrophobicContact CD2-CD1 4.29Å; L74-E76 VanDerWaalsContact C-N 3.33Å; L74-E76 WeakPolarHBondContact CD1-OE2 3.36Å; L74-E76 WeakPolarHBondContact CG-OE2 3.44Å; L74-E76 PolarHBondContact O-N 2.94Å; L74-F77 HydrophobicContact CB-CB 3.97Å; L74-F77 HydrophobicContact CD2-CB 4.05Å; L74-F77 HydrophobicContact CG-CB 4.18Å; L74-F77 WeakPolarHBondContact O-CB 3.32Å; L74-F77 PolarHBondContact O-N 3.3Å; L74-R78 PolarHBondContact O-N 3.41Å; L74-A301 HydrophobicContact CD2-CB 4.46Å; L74-R302 HydrophobicContact CD2-CG 4.05Å
75P98.4Very high97.9Very high53 Ų5352.7 Ų52.734%0.34426%0.26SS..Hα-helixtrans-56.4-41.8-174.5-27.536.1000114.3G73 F77 R78 S79G73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-F77 VanDerWaalsContact C-N 3.35Å; P75-F77 PolarHBondContact O-N 3Å; P75-R78 PolarHBondContact O-N 3.27Å; P75-S79 WeakPolarHBondContact O-CB 3.36Å; P75-S79 PolarHBondContact O-N 2.82Å
76E98.2Very high98.1Very high100 Ų10048.9 Ų48.947%0.46724%0.239SC..Hα-helixtrans-69.9-34.2-177-57.771.3-154.100111.4L74 S80 S305 N309L74-E76 VanDerWaalsContact C-N 3.33Å; L74-E76 WeakPolarHBondContact CD1-OE2 3.36Å; L74-E76 WeakPolarHBondContact CG-OE2 3.44Å; L74-E76 PolarHBondContact O-N 2.94Å; E76-S80 WeakPolarHBondContact O-CB 3.3Å; E76-S80 PolarHBondContact O-N 2.91Å; E76-S80 VanDerWaalsContact O-N 3.12Å; E76-S80 PolarHBondContact O-OG 3.44Å; E76-S305 WeakPolarHBondContact CB-OG 3.29Å; E76-N309 PolarHBondContact O-ND2 3.04Å
77F98.8Very high98.2Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-66.4-51.1172.1165.8-104000110.4L74 P75 S79 S80 A81 Q102 F254 V265 G266 N267 A301 V304 S305L74-F77 HydrophobicContact CB-CB 3.97Å; L74-F77 HydrophobicContact CD2-CB 4.05Å; L74-F77 HydrophobicContact CG-CB 4.18Å; L74-F77 WeakPolarHBondContact O-CB 3.32Å; L74-F77 PolarHBondContact O-N 3.3Å; P75-F77 VanDerWaalsContact C-N 3.35Å; P75-F77 PolarHBondContact O-N 3Å; F77-S79 VanDerWaalsContact C-N 3.3Å; F77-S79 PolarHBondContact O-N 3.42Å; F77-S80 PolarHBondContact O-N 2.99Å; F77-S80 PolarHBondContact O-OG 3.38Å; F77-S80 VanDerWaalsContact O-OG 3.09Å; F77-A81 HydrophobicContact CE2-CB 4.31Å; F77-A81 HydrophobicContact CZ-CB 4.31Å; F77-A81 WeakPolarHBondContact O-CB 3.31Å; F77-A81 PolarHBondContact O-N 2.95Å; F77-Q102 HydrophobicContact CD1-CB 3.86Å; F77-Q102 HydrophobicContact CD1-CG 3.78Å; F77-Q102 HydrophobicContact CE1-CB 3.76Å; F77-Q102 HydrophobicContact CE1-CG 3.53Å; F77-F254 AromaticContact CE2-CD2 3.88Å; F77-F254 HydrophobicContact CE2-CD2 3.88Å; F77-F254 AromaticContact CE2-CE2 3.6Å; F77-F254 HydrophobicContact CE2-CE2 3.6Å; F77-F254 HydrophobicContact CE2-CZ 4.31Å; F77-F254 AromaticContact CZ-CD2 3.86Å; F77-F254 HydrophobicContact CZ-CD2 3.86Å; F77-F254 AromaticContact CZ-CE2 3.53Å; F77-F254 HydrophobicContact CZ-CE2 3.53Å; F77-V265 HydrophobicContact CE2-CG1 3.6Å; F77-V265 HydrophobicContact CZ-CG1 3.63Å; F77-G266 WeakPolarHBondContact CE1-O 3.35Å; F77-G266 WeakPolarHBondContact CZ-O 3.28Å; F77-N267 HydrophobicContact CE1-CB 4.07Å; F77-N267 HydrophobicContact CZ-CB 4.15Å; F77-A301 HydrophobicContact CB-CB 4.16Å; F77-A301 HydrophobicContact CD1-CB 4.15Å; F77-A301 HydrophobicContact CD2-CB 4.14Å; F77-A301 HydrophobicContact CG-CB 3.86Å; F77-V304 HydrophobicContact CD2-CB 3.86Å; F77-V304 HydrophobicContact CD2-CG1 3.83Å; F77-V304 HydrophobicContact CE2-CB 3.81Å; F77-V304 HydrophobicContact CE2-CG1 3.65Å; F77-V304 HydrophobicContact CE2-CG2 4.39Å; F77-S305 PolarHBondContact N-OG 3.42Å
78R98.6Very high97.9Very high44 Ų4440.1 Ų40.117%0.16620%0.204CC..Hα-helixtrans-58.5-43.2-178.9-75.1-167.3-75.6146.35.4112.5L72 G73 L74 P75 S82 A100 Q102L72-R78 WeakPolarHBondContact O-CD 3.37Å; L72-R78 PolarHBondContact O-NE 3.4Å; G73-R78 PolarHBondContact O-NE 3.16Å; L74-R78 PolarHBondContact O-N 3.41Å; P75-R78 PolarHBondContact O-N 3.27Å; R78-S82 WeakPolarHBondContact O-CB 3.44Å; R78-S82 PolarHBondContact O-N 2.77Å; R78-S82 VanDerWaalsContact O-N 3.08Å; R78-S82 PolarHBondContact O-OG 3.5Å; R78-A100 HydrophobicContact CB-CB 3.98Å; R78-A100 WeakPolarHBondContact CD-O 3.26Å; R78-A100 HydrophobicContact CG-CB 4.31Å; R78-A100 PolarHBondContact NH1-O 2.83Å; R78-Q102 HydrophobicContact CG-CB 4.19Å
79S98Very high97.6Very high56 Ų5636.9 Ų36.939%0.39220%0.199SC..Hα-helixtrans-62.6-53.6177.5-176.10000111.4P75 F77 A81 S82 K83P75-S79 WeakPolarHBondContact O-CB 3.36Å; P75-S79 PolarHBondContact O-N 2.82Å; F77-S79 VanDerWaalsContact C-N 3.3Å; F77-S79 PolarHBondContact O-N 3.42Å; S79-A81 PolarHBondContact O-N 2.93Å; S79-S82 PolarHBondContact O-N 2.97Å; S79-K83 WeakPolarHBondContact O-CG 3.48Å; S79-K83 PolarHBondContact O-N 2.95Å
80S98.4Very high97.3Very high5 Ų536.4 Ų36.44%0.03520%0.197CC..Hα-helixtrans-66-38.4-178.756.50000113.2E76 F77 K83 V84 N309E76-S80 WeakPolarHBondContact O-CB 3.3Å; E76-S80 PolarHBondContact O-N 2.91Å; E76-S80 VanDerWaalsContact O-N 3.12Å; E76-S80 PolarHBondContact O-OG 3.44Å; F77-S80 PolarHBondContact O-N 2.99Å; F77-S80 PolarHBondContact O-OG 3.38Å; F77-S80 VanDerWaalsContact O-OG 3.09Å; S80-K83 PolarHBondContact O-N 3.1Å; S80-V84 WeakPolarHBondContact O-CG2 3.23Å; S80-V84 PolarHBondContact O-N 2.83Å; S80-N309 PolarHBondContact OG-ND2 3.48Å
81A98.6Very high97Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-59.8-46.1173.100000112F77 S79 K83 V84 A85 Q252 F254 N267F77-A81 HydrophobicContact CE2-CB 4.31Å; F77-A81 HydrophobicContact CZ-CB 4.31Å; F77-A81 WeakPolarHBondContact O-CB 3.31Å; F77-A81 PolarHBondContact O-N 2.95Å; S79-A81 PolarHBondContact O-N 2.93Å; A81-K83 VanDerWaalsContact C-N 3.33Å; A81-K83 PolarHBondContact O-N 3.28Å; A81-V84 WeakPolarHBondContact O-CB 3.37Å; A81-V84 PolarHBondContact O-N 2.89Å; A81-A85 PolarHBondContact O-N 3.46Å; A81-Q252 PolarHBondContact O-NE2 3.44Å; A81-Q252 PolarHBondContact O-OE1 3.16Å; A81-Q252 VanDerWaalsContact O-OE1 3.12Å; A81-F254 HydrophobicContact CB-CE2 3.87Å; A81-F254 HydrophobicContact CB-CZ 3.58Å; A81-N267 HydrophobicContact CB-CB 3.87Å
82S98.6Very high96.9Very high4 Ų434 Ų343%0.02819%0.185CC..Hα-helixtrans-63.4-39.7178.7-55.40000111.7R78 S79 A85 L86 A100 T269R78-S82 WeakPolarHBondContact O-CB 3.44Å; R78-S82 PolarHBondContact O-N 2.77Å; R78-S82 VanDerWaalsContact O-N 3.08Å; R78-S82 PolarHBondContact O-OG 3.5Å; S79-S82 PolarHBondContact O-N 2.97Å; S82-A85 PolarHBondContact O-N 3.39Å; S82-L86 WeakPolarHBondContact O-CB 3.41Å; S82-L86 PolarHBondContact O-N 3.29Å; S82-A100 WeakPolarHBondContact OG-CB 3.38Å; S82-T269 PolarHBondContact OG-OG1 3.49Å
83K98.2Very high96.7Very high77 Ų7735.8 Ų35.834%0.33519%0.192SC..Hα-helixtrans-62.8-39.5175.4-73.6166.9162.2-154.60112.5S79 S80 A81 A85 L86 G87 D88 F93S79-K83 WeakPolarHBondContact O-CG 3.48Å; S79-K83 PolarHBondContact O-N 2.95Å; S80-K83 PolarHBondContact O-N 3.1Å; A81-K83 VanDerWaalsContact C-N 3.33Å; A81-K83 PolarHBondContact O-N 3.28Å; K83-A85 VanDerWaalsContact C-N 3.32Å; K83-A85 PolarHBondContact O-N 3.23Å; K83-L86 PolarHBondContact O-N 2.94Å; K83-G87 WeakPolarHBondContact O-CA 3.35Å; K83-G87 PolarHBondContact O-N 2.69Å; K83-D88 WeakPolarHBondContact CD-OD1 3.27Å; K83-D88 WeakPolarHBondContact CE-OD1 3.33Å; K83-D88 WeakPolarHBondContact CG-OD1 3.39Å; K83-D88 IonicContact NZ-OD1 3.59Å; K83-F93 HydrophobicContact CG-CE1 4.44Å; K83-F93 HydrophobicContact CG-CE2 4.17Å; K83-F93 HydrophobicContact CG-CZ 3.88Å
84V98.1Very high96.3Very high12 Ų1244 Ų447%0.07323%0.228CC..Hα-helixtrans-57.9-44.9173.6169.30000110.9S80 A81 Q224 L231 R239 L308 F314S80-V84 WeakPolarHBondContact O-CG2 3.23Å; S80-V84 PolarHBondContact O-N 2.83Å; A81-V84 WeakPolarHBondContact O-CB 3.37Å; A81-V84 PolarHBondContact O-N 2.89Å; V84-Q224 PolarHBondContact O-NE2 3.49Å; V84-L231 HydrophobicContact CG1-CD2 4.49Å; V84-R239 PolarHBondContact O-NH2 2.88Å; V84-L308 HydrophobicContact CG2-CD1 3.82Å; V84-L308 HydrophobicContact CG2-CD2 3.95Å; V84-L308 HydrophobicContact CG2-CG 4.48Å; V84-F314 HydrophobicContact CG2-CE2 4.45Å
85A98Very high96.2Very high0 Ų047.6 Ų47.60%024%0.244CC..Hα-helixtrans-67.5-45.5177.100000113.2A81 S82 K83 A235 R239 I250 Q252A81-A85 PolarHBondContact O-N 3.46Å; S82-A85 PolarHBondContact O-N 3.39Å; K83-A85 VanDerWaalsContact C-N 3.32Å; K83-A85 PolarHBondContact O-N 3.23Å; A85-A235 WeakPolarHBondContact O-CB 3.44Å; A85-R239 WeakPolarHBondContact O-CG 3.26Å; A85-R239 PolarHBondContact O-NE 2.94Å; A85-R239 VanDerWaalsContact O-NE 3.12Å; A85-I250 HydrophobicContact CB-CD1 4.16Å; A85-I250 HydrophobicContact CB-CG2 4.49Å; A85-Q252 HydrophobicContact CB-CG 4.39Å
86L98Very high96.1Very high1 Ų149.7 Ų49.71%0.00525%0.252CS..Hα-helixtrans-97.8-20-165.1-66.3-179.9000115S82 K83 N90 F93 V98 I238 R239 V242 I250 T269 V271S82-L86 WeakPolarHBondContact O-CB 3.41Å; S82-L86 PolarHBondContact O-N 3.29Å; K83-L86 PolarHBondContact O-N 2.94Å; L86-N90 HydrophobicContact CB-CB 4.15Å; L86-N90 WeakPolarHBondContact O-CB 3.38Å; L86-N90 PolarHBondContact O-ND2 2.9Å; L86-N90 VanDerWaalsContact O-ND2 3.11Å; L86-F93 HydrophobicContact CB-CE2 3.76Å; L86-F93 HydrophobicContact CB-CZ 4.16Å; L86-F93 HydrophobicContact CD1-CE2 4.17Å; L86-F93 HydrophobicContact CD1-CZ 3.99Å; L86-V98 HydrophobicContact CD1-CB 4.32Å; L86-V98 HydrophobicContact CD1-CG1 3.71Å; L86-V98 HydrophobicContact CD1-CG2 3.58Å; L86-I238 HydrophobicContact CD2-CG2 3.86Å; L86-R239 VanDerWaalsContact C-NE 3.25Å; L86-R239 VanDerWaalsContact O-CD 3.27Å; L86-R239 WeakPolarHBondContact O-CD 3.4Å; L86-R239 WeakPolarHBondContact O-CG 3.49Å; L86-R239 PolarHBondContact O-NE 3.31Å; L86-V242 HydrophobicContact CD2-CG2 3.74Å; L86-I250 HydrophobicContact CD2-CD1 3.76Å; L86-I250 HydrophobicContact CG-CD1 4.32Å; L86-T269 HydrophobicContact CD1-CG2 4.14Å; L86-V271 HydrophobicContact CD1-CG2 4.08Å; L86-V271 HydrophobicContact CD2-CG2 4.37Å
87G95.8Very high96.1Very high4 Ų446.3 Ų46.34%0.04124%0.235CC..  trans83.8142.5-166.800000111.6K83 D89 N90 F93 R239K83-G87 WeakPolarHBondContact O-CA 3.35Å; K83-G87 PolarHBondContact O-N 2.69Å; G87-D89 PolarHBondContact O-N 3.47Å; G87-N90 WeakPolarHBondContact O-CB 3.28Å; G87-N90 PolarHBondContact O-N 2.87Å; G87-F93 WeakPolarHBondContact O-CE2 3.45Å; G87-R239 VanDerWaalsContact CA-CZ 3.48Å; G87-R239 VanDerWaalsContact N-CZ 3.34Å
88D91.3Very high96Very high116 Ų11647.4 Ų47.462%0.6224%0.242SC*.THydrogen-bonded Turntrans-63-27.3-178.2-75.9-51.4000113.4K83K83-D88 WeakPolarHBondContact CD-OD1 3.27Å; K83-D88 WeakPolarHBondContact CE-OD1 3.33Å; K83-D88 WeakPolarHBondContact CG-OD1 3.39Å; K83-D88 IonicContact NZ-OD1 3.59Å
89D90.8Very high96Very high123 Ų12345.8 Ų45.866%0.65824%0.239SC*.THydrogen-bonded Turntrans-900.1-176.565.1-28.9000113.8G87 P91G87-D89 PolarHBondContact O-N 3.47Å; D89-P91 WeakPolarHBondContact O-CD 3.46Å
90N93.4Very high96.1Very high12 Ų1243.3 Ų43.36%0.06422%0.221CC..  trans-59.9123.5-177.4-162.6-61.9000111.5L86 G87 A92 F93 V242L86-N90 HydrophobicContact CB-CB 4.15Å; L86-N90 WeakPolarHBondContact O-CB 3.38Å; L86-N90 PolarHBondContact O-ND2 2.9Å; L86-N90 VanDerWaalsContact O-ND2 3.11Å; G87-N90 WeakPolarHBondContact O-CB 3.28Å; G87-N90 PolarHBondContact O-N 2.87Å; N90-A92 PolarHBondContact O-N 3.36Å; N90-A92 VanDerWaalsContact OD1-CB 3.28Å; N90-A92 WeakPolarHBondContact OD1-CB 3.44Å; N90-A92 PolarHBondContact OD1-N 3.42Å; N90-A92 VanDerWaalsContact OD1-N 3.1Å; N90-F93 HydrophobicContact CB-CD2 3.96Å; N90-F93 HydrophobicContact CB-CE2 4.26Å; N90-F93 PolarHBondContact O-N 3.25Å; N90-V242 WeakPolarHBondContact OD1-CG1 3.46Å
91P91.9Very high96.1Very high72 Ų7243 Ų4347%0.46822%0.22SC..Hα-helixtrans-55.2-28.8-178.6-28.135.3000114.3D89 F93 K94 E95D89-P91 WeakPolarHBondContact O-CD 3.46Å; P91-F93 PolarHBondContact O-N 2.93Å; P91-F93 VanDerWaalsContact O-N 3.14Å; P91-K94 PolarHBondContact O-N 3.37Å; P91-E95 WeakPolarHBondContact O-CG 3.28Å; P91-E95 PolarHBondContact O-N 3.21Å
92A95.4Very high96.1Very high0 Ų043.2 Ų43.20%022%0.221CC..Hα-helixtrans-58.7-28179.100000113.2N90 N96 R97 V98 V242 V271N90-A92 PolarHBondContact O-N 3.36Å; N90-A92 VanDerWaalsContact OD1-CB 3.28Å; N90-A92 WeakPolarHBondContact OD1-CB 3.44Å; N90-A92 PolarHBondContact OD1-N 3.42Å; N90-A92 VanDerWaalsContact OD1-N 3.1Å; A92-N96 PolarHBondContact O-N 2.93Å; A92-R97 HydrophobicContact CB-CB 4.31Å; A92-R97 PolarHBondContact O-N 3.45Å; A92-V98 HydrophobicContact CB-CG2 3.55Å; A92-V242 HydrophobicContact CB-CG1 3.97Å; A92-V271 HydrophobicContact CB-CG1 4.47Å
93F94.8Very high96.1Very high47 Ų4743.1 Ų43.121%0.20622%0.22CC..Hα-helixtrans-69.9-45.3173.2-74.1-65.4000112.1K83 L86 G87 N90 P91 E95 N96 V98K83-F93 HydrophobicContact CG-CE1 4.44Å; K83-F93 HydrophobicContact CG-CE2 4.17Å; K83-F93 HydrophobicContact CG-CZ 3.88Å; L86-F93 HydrophobicContact CB-CE2 3.76Å; L86-F93 HydrophobicContact CB-CZ 4.16Å; L86-F93 HydrophobicContact CD1-CE2 4.17Å; L86-F93 HydrophobicContact CD1-CZ 3.99Å; G87-F93 WeakPolarHBondContact O-CE2 3.45Å; N90-F93 HydrophobicContact CB-CD2 3.96Å; N90-F93 HydrophobicContact CB-CE2 4.26Å; N90-F93 PolarHBondContact O-N 3.25Å; P91-F93 PolarHBondContact O-N 2.93Å; P91-F93 VanDerWaalsContact O-N 3.14Å; F93-E95 PolarHBondContact O-N 3.46Å; F93-N96 PolarHBondContact O-N 3.17Å; F93-N96 VanDerWaalsContact O-N 3.09Å; F93-V98 HydrophobicContact CD1-CB 3.88Å; F93-V98 HydrophobicContact CD1-CG1 4.22Å; F93-V98 HydrophobicContact CD1-CG2 4.05Å; F93-V98 HydrophobicContact CE1-CB 3.81Å; F93-V98 HydrophobicContact CE1-CG1 3.61Å; F93-V98 HydrophobicContact CE1-CG2 4.12Å; F93-V98 HydrophobicContact CG-CG2 4.39Å; F93-V98 HydrophobicContact CZ-CG1 4.12Å
94K91.6Very high96.1Very high172 Ų17242 Ų4275%0.74822%0.218SC*.Hα-helixtrans-64.8-31.3179.1-64.9178.1-178.2170.90111.8P91 N96P91-K94 PolarHBondContact O-N 3.37Å; K94-N96 VanDerWaalsContact C-N 3.27Å; K94-N96 PolarHBondContact O-N 3.21Å
95E94.4Very high96.1Very high101 Ų10141.5 Ų41.547%0.47221%0.214SC..THydrogen-bonded Turntrans-84.21.4178-65.7163-17100113P91 F93 R97P91-E95 WeakPolarHBondContact O-CG 3.28Å; P91-E95 PolarHBondContact O-N 3.21Å; F93-E95 PolarHBondContact O-N 3.46Å; E95-R97 HydrophobicContact CB-CG 3.9Å; E95-R97 PolarHBondContact O-N 3.12Å; E95-R97 IonicContact OE2-CZ 3.53Å; E95-R97 IonicContact OE2-NE 2.73Å; E95-R97 PolarHBondContact OE2-NE 3.43Å; E95-R97 IonicContact OE2-NH2 2.55Å; E95-R97 PolarHBondContact OE2-NH2 3.47Å
96N96.6Very high96.2Very high98 Ų9841.8 Ų41.852%0.52422%0.217SC..THydrogen-bonded Turntrans54.138.8-176.8-61.2-61000113.3A92 F93 K94 N275 L278A92-N96 PolarHBondContact O-N 2.93Å; F93-N96 PolarHBondContact O-N 3.17Å; F93-N96 VanDerWaalsContact O-N 3.09Å; K94-N96 VanDerWaalsContact C-N 3.27Å; K94-N96 PolarHBondContact O-N 3.21Å; N96-N275 HydrophobicContact CB-CB 3.88Å; N96-N275 VanDerWaalsContact O-CA 3.3Å; N96-N275 WeakPolarHBondContact O-CA 3.49Å; N96-N275 WeakPolarHBondContact O-CB 3.36Å; N96-N275 PolarHBondContact O-OD1 2.9Å; N96-L278 WeakPolarHBondContact O-CD2 3.14Å
97R97.8Very high96.2Very high29 Ų2943.9 Ų43.911%0.10923%0.23CC..  trans-97.6-7.2-179.1-68.2-167.3-57.8107.7-7.3114.1A92 E95 S272 K273A92-R97 HydrophobicContact CB-CB 4.31Å; A92-R97 PolarHBondContact O-N 3.45Å; E95-R97 HydrophobicContact CB-CG 3.9Å; E95-R97 PolarHBondContact O-N 3.12Å; E95-R97 IonicContact OE2-CZ 3.53Å; E95-R97 IonicContact OE2-NE 2.73Å; E95-R97 PolarHBondContact OE2-NE 3.43Å; E95-R97 IonicContact OE2-NH2 2.55Å; E95-R97 PolarHBondContact OE2-NH2 3.47Å; R97-S272 WeakPolarHBondContact CB-O 3.35Å; R97-S272 VanDerWaalsContact CD-O 3.31Å; R97-S272 WeakPolarHBondContact CD-O 3.44Å; R97-S272 PolarHBondContact NH1-O 2.91Å; R97-S272 PolarHBondContact O-N 2.81Å; R97-S272 PolarHBondContact O-OG 2.8Å; R97-K273 VanDerWaalsContact CD-C 3.41Å; R97-K273 WeakPolarHBondContact CD-O 3.39Å
98V98.6Very high96.3Very high23 Ų2344 Ų4414%0.13923%0.232CC..EExtended strand (participates in β ladder)trans-104.2123-177.1-175.10000110.5L86 A92 F93 T269 V270 L278L86-V98 HydrophobicContact CD1-CB 4.32Å; L86-V98 HydrophobicContact CD1-CG1 3.71Å; L86-V98 HydrophobicContact CD1-CG2 3.58Å; A92-V98 HydrophobicContact CB-CG2 3.55Å; F93-V98 HydrophobicContact CD1-CB 3.88Å; F93-V98 HydrophobicContact CD1-CG1 4.22Å; F93-V98 HydrophobicContact CD1-CG2 4.05Å; F93-V98 HydrophobicContact CE1-CB 3.81Å; F93-V98 HydrophobicContact CE1-CG1 3.61Å; F93-V98 HydrophobicContact CE1-CG2 4.12Å; F93-V98 HydrophobicContact CG-CG2 4.39Å; F93-V98 HydrophobicContact CZ-CG1 4.12Å; V98-T269 HydrophobicContact CG1-CG2 3.72Å; V98-V270 WeakPolarHBondContact CA-O 3.33Å; V98-L278 VanDerWaalsContact C-CD2 3.42Å; V98-L278 WeakPolarHBondContact O-CD2 3.45Å
99G98.4Very high96.7Very high9 Ų938.5 Ų38.59%0.09320%0.202CC..EExtended strand (participates in β ladder)trans-130.2170.2168.100000110.5V270G99-V270 PolarHBondContact N-O 3.43Å; G99-V270 PolarHBondContact O-N 3.5Å
100A98.7Very high97.1Very high4 Ų432.7 Ų32.73%0.03317%0.171CC..EExtended strand (participates in β ladder)trans-152.9158.6-175.500000113.2R78 S82 L268R78-A100 HydrophobicContact CB-CB 3.98Å; R78-A100 WeakPolarHBondContact CD-O 3.26Å; R78-A100 HydrophobicContact CG-CB 4.31Å; R78-A100 PolarHBondContact NH1-O 2.83Å; S82-A100 WeakPolarHBondContact OG-CB 3.38Å; A100-L268 CarbonylContact C-O 3.48Å; A100-L268 WeakPolarHBondContact CA-O 3.24Å
101V98.8Very high97.3Very high0 Ų035.4 Ų35.40%018%0.18CC..EExtended strand (participates in β ladder)trans-134.1116.6178.7-1680000108.5L72 A103 I112 N267 L268 L282 M285 V289L72-V101 HydrophobicContact CD2-CB 4.47Å; L72-V101 HydrophobicContact CD2-CG1 3.9Å; L72-V101 HydrophobicContact CD2-CG2 4.02Å; V101-A103 PolarHBondContact O-N 2.87Å; V101-I112 HydrophobicContact CB-CD1 4.01Å; V101-I112 HydrophobicContact CG1-CD1 3.68Å; V101-N267 CarbonylContact O-C 3.58Å; V101-N267 WeakPolarHBondContact O-CA 3.48Å; V101-N267 PolarHBondContact O-OD1 3.43Å; V101-L268 HydrophobicContact CB-CB 4.38Å; V101-L268 PolarHBondContact N-O 2.79Å; V101-L268 PolarHBondContact O-N 2.77Å; V101-L282 HydrophobicContact CG2-CD2 4.32Å; V101-M285 HydrophobicContact CG2-CB 3.88Å; V101-M285 HydrophobicContact CG2-CG 4.01Å; V101-V289 HydrophobicContact CG1-CG2 3.67Å
102Q98.9Very high97.6Very high4 Ų432 Ų322%0.01916%0.158CC..EExtended strand (participates in β ladder)trans-64.4133.4171.7174.8-177.1-21.200109.2L72 F77 R78 P296 P297 A301L72-Q102 WeakPolarHBondContact O-CB 3.25Å; L72-Q102 PolarHBondContact O-N 2.94Å; F77-Q102 HydrophobicContact CD1-CB 3.86Å; F77-Q102 HydrophobicContact CD1-CG 3.78Å; F77-Q102 HydrophobicContact CE1-CB 3.76Å; F77-Q102 HydrophobicContact CE1-CG 3.53Å; R78-Q102 HydrophobicContact CG-CB 4.19Å; Q102-P296 HydrophobicContact CB-CB 4.41Å; Q102-P296 HydrophobicContact CB-CG 3.89Å; Q102-P296 HydrophobicContact CG-CB 3.86Å; Q102-P296 HydrophobicContact CG-CG 3.76Å; Q102-P297 PolarHBondContact NE2-O 2.68Å; Q102-A301 VanDerWaalsContact NE2-CB 3.3Å
103A98.7Very high97.8Very high1 Ų132 Ų321%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-135.8166.4-172.100000112.4V101 G105 A109 I112 G266 W293V101-A103 PolarHBondContact O-N 2.87Å; A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3Å; A103-A109 HydrophobicContact CB-CB 3.87Å; A103-I112 HydrophobicContact CB-CD1 3.87Å; A103-G266 PolarHBondContact N-O 3.17Å; A103-G266 CarbonylContact O-C 3.6Å; A103-G266 WeakPolarHBondContact O-CA 3.47Å; A103-G266 PolarHBondContact O-N 3.43Å; A103-W293 HydrophobicContact CB-CH2 4.37Å; A103-W293 HydrophobicContact CB-CZ2 4.4Å
104L98.4Very high98Very high55 Ų5529.7 Ų29.729%0.28815%0.148SC..EExtended strand (participates in β ladder)trans-77.274.3179.4-62-176.2000112.3G108 R264 W293 P297L104-G108 PolarHBondContact O-N 2.72Å; L104-G108 VanDerWaalsContact O-N 3.09Å; L104-R264 CarbonylContact C-O 3.47Å; L104-R264 VanDerWaalsContact CA-O 3.26Å; L104-R264 WeakPolarHBondContact CA-O 3.43Å; L104-R264 HydrophobicContact CB-CB 4.35Å; L104-R264 HydrophobicContact CD2-CB 4.42Å; L104-R264 PolarHBondContact O-NH2 2.98Å; L104-W293 HydrophobicContact CD1-CD2 4.13Å; L104-W293 HydrophobicContact CD1-CE3 3.73Å; L104-W293 HydrophobicContact CD1-CZ3 4.14Å; L104-W293 HydrophobicContact CG-CD2 4.26Å; L104-W293 HydrophobicContact CG-CE3 4.07Å; L104-W293 HydrophobicContact CG-CH2 4.41Å; L104-W293 HydrophobicContact CG-CZ3 4.16Å; L104-P297 VanDerWaalsContact CD2-CD 3.43Å; L104-P297 HydrophobicContact CD2-CG 3.76Å
105G98.4Very high98.3Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans66.2-172.7-171.800000112.5A103 T107 G108 A109 R264A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3Å; G105-T107 PolarHBondContact O-N 3.41Å; G105-G108 PolarHBondContact O-N 2.9Å; G105-A109 PolarHBondContact O-N 3.27Å; G105-A109 VanDerWaalsContact O-N 3.12Å; G105-R264 VanDerWaalsContact N-C 3.32Å; G105-R264 PolarHBondContact N-O 3.42Å
106G98.6Very high98.5Very high6 Ų618 Ų186%0.06210%0.096CC..Hα-helixtrans-58.1-36.4175.800000113.2G108 A109 L110 S253G106-G108 PolarHBondContact O-N 3.29Å; G106-A109 PolarHBondContact O-N 2.96Å; G106-L110 WeakPolarHBondContact O-CG 3.49Å; G106-L110 PolarHBondContact O-N 2.64Å; G106-S253 PolarHBondContact N-OG 2.96Å
107T98.7Very high98.6Very high46 Ų4613.4 Ų13.428%0.2827%0.071SC..Hα-helixtrans-61.9-44177.1-43.70000112.5G105 A109 L110 R111 W138 N140 V144G105-T107 PolarHBondContact O-N 3.41Å; T107-A109 VanDerWaalsContact C-N 3.32Å; T107-L110 PolarHBondContact O-N 3.19Å; T107-R111 WeakPolarHBondContact O-CB 3.25Å; T107-R111 PolarHBondContact O-N 2.88Å; T107-W138 HydrophobicContact CG2-CH2 4.13Å; T107-W138 WeakPolarHBondContact OG1-CH2 3.42Å; T107-N140 WeakPolarHBondContact CG2-ND2 3.3Å; T107-V144 HydrophobicContact CG2-CG2 4.14Å
108G98.7Very high98.7Very high7 Ų713.7 Ų13.77%0.0727%0.074CC..Hα-helixtrans-64.7-38.2175.200000112L104 G105 G106 R111 I112L104-G108 PolarHBondContact O-N 2.72Å; L104-G108 VanDerWaalsContact O-N 3.09Å; G105-G108 PolarHBondContact O-N 2.9Å; G106-G108 PolarHBondContact O-N 3.29Å; G108-R111 PolarHBondContact O-N 3.03Å; G108-I112 WeakPolarHBondContact O-CG1 3.35Å; G108-I112 PolarHBondContact O-N 2.88Å
109A98.9Very high98.7Very high0 Ų017.6 Ų17.60%09%0.086CC..Hα-helixtrans-66-44.4177.300000111.9A103 G105 G106 T107 R111 G113 A251 L268A103-A109 HydrophobicContact CB-CB 3.87Å; G105-A109 PolarHBondContact O-N 3.27Å; G105-A109 VanDerWaalsContact O-N 3.12Å; G106-A109 PolarHBondContact O-N 2.96Å; T107-A109 VanDerWaalsContact C-N 3.32Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 3.3Å; A109-G113 PolarHBondContact O-N 3.37Å; A109-A251 HydrophobicContact CB-CB 3.68Å; A109-L268 HydrophobicContact CB-CB 3.97Å
110L98.9Very high98.6Very high0 Ų022 Ų220%010%0.1CC..Hα-helixtrans-58.7-45.4171.6-73.1165.3000111G106 T107 G113 A114 W138 V144 F145 F218 A251G106-L110 WeakPolarHBondContact O-CG 3.49Å; G106-L110 PolarHBondContact O-N 2.64Å; T107-L110 PolarHBondContact O-N 3.19Å; L110-G113 PolarHBondContact O-N 2.8Å; L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.44Å; L110-A114 PolarHBondContact O-N 3.26Å; L110-W138 HydrophobicContact CD1-CE3 4.41Å; L110-W138 HydrophobicContact CD1-CZ3 3.92Å; L110-V144 HydrophobicContact CB-CG1 3.98Å; L110-F145 HydrophobicContact CD2-CE2 4.46Å; L110-F218 HydrophobicContact CD2-CE1 4.48Å; L110-F218 HydrophobicContact CD2-CE2 4.08Å; L110-F218 HydrophobicContact CD2-CZ 4.06Å; L110-A251 HydrophobicContact CD2-CB 3.86Å; L110-A251 HydrophobicContact CG-CB 3.73Å
111R98.7Very high98.4Very high69 Ų6924.3 Ų24.326%0.2611%0.108SC..Hα-helixtrans-61.4-53-177.817763.2-155.3-154.79112.8T107 G108 A109 G113 A114 D115 V144 D147T107-R111 WeakPolarHBondContact O-CB 3.25Å; T107-R111 PolarHBondContact O-N 2.88Å; G108-R111 PolarHBondContact O-N 3.03Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 3.3Å; R111-G113 VanDerWaalsContact C-N 3.3Å; R111-G113 PolarHBondContact O-N 3.12Å; R111-A114 PolarHBondContact O-N 3.04Å; R111-D115 IonicContact CZ-OD1 2.69Å; R111-D115 VanDerWaalsContact CZ-OD1 3.29Å; R111-D115 IonicContact CZ-OD2 3.05Å; R111-D115 IonicContact NE-OD1 3.4Å; R111-D115 PolarHBondContact NE-OD1 3.18Å; R111-D115 IonicContact NE-OD2 3.63Å; R111-D115 PolarHBondContact NE-OD2 3Å; R111-D115 IonicContact NH2-OD1 2.67Å; R111-D115 PolarHBondContact NH2-OD1 3.29Å; R111-D115 IonicContact NH2-OD2 3.62Å; R111-D115 PolarHBondContact O-N 3.2Å; R111-V144 HydrophobicContact CB-CG1 4.31Å; R111-D147 VanDerWaalsContact CZ-O 3.31Å; R111-D147 PolarHBondContact NH1-O 3.49Å; R111-D147 PolarHBondContact NH2-O 2.69Å
112I98.6Very high98Very high0 Ų028.8 Ų28.80%013%0.132CC..Hα-helixtrans-69.5-31.7-178.865.9-173.9000111.7V101 A103 G108 F116 L268 I288 V289 W293V101-I112 HydrophobicContact CB-CD1 4.01Å; V101-I112 HydrophobicContact CG1-CD1 3.68Å; A103-I112 HydrophobicContact CB-CD1 3.87Å; G108-I112 WeakPolarHBondContact O-CG1 3.35Å; G108-I112 PolarHBondContact O-N 2.88Å; I112-F116 WeakPolarHBondContact O-CB 3.43Å; I112-F116 PolarHBondContact O-N 3.21Å; I112-L268 HydrophobicContact CD1-CB 4.22Å; I112-L268 HydrophobicContact CD1-CD2 4.27Å; I112-L268 HydrophobicContact CG1-CB 4.41Å; I112-L268 HydrophobicContact CG1-CD2 3.77Å; I112-I288 HydrophobicContact CB-CG2 4.26Å; I112-I288 HydrophobicContact CG2-CG2 4.2Å; I112-V289 HydrophobicContact CD1-CG2 4.38Å; I112-W293 HydrophobicContact CD1-CH2 4.37Å; I112-W293 HydrophobicContact CD1-CZ2 4.36Å; I112-W293 HydrophobicContact CG2-CH2 3.41Å; I112-W293 VanDerWaalsContact CG2-CH2 3.41Å; I112-W293 HydrophobicContact CG2-CZ2 3.99Å; I112-W293 HydrophobicContact CG2-CZ3 4.04Å
113G98.8Very high97.6Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-64.5-45.2171.800000111.8A109 L110 R111 F116 L117A109-G113 PolarHBondContact O-N 3.37Å; L110-G113 PolarHBondContact O-N 2.8Å; R111-G113 VanDerWaalsContact C-N 3.3Å; R111-G113 PolarHBondContact O-N 3.12Å; G113-F116 PolarHBondContact O-N 3.23Å; G113-L117 VanDerWaalsContact O-CG 3.28Å; G113-L117 WeakPolarHBondContact O-CG 3.46Å; G113-L117 PolarHBondContact O-N 3.14Å
114A98.8Very high97.3Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-63.1-45.3175.400000111.6L110 R111 F116 L117 H118 V144 F145 A148 F150L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.44Å; L110-A114 PolarHBondContact O-N 3.26Å; R111-A114 PolarHBondContact O-N 3.04Å; A114-F116 VanDerWaalsContact C-N 3.29Å; A114-F116 PolarHBondContact O-N 2.61Å; A114-L117 PolarHBondContact O-N 2.62Å; A114-H118 VanDerWaalsContact O-CB 3.28Å; A114-H118 WeakPolarHBondContact O-CB 3.46Å; A114-H118 PolarHBondContact O-N 3.08Å; A114-V144 HydrophobicContact CB-CG1 4.48Å; A114-F145 HydrophobicContact CB-CD1 3.78Å; A114-F145 HydrophobicContact CB-CE1 3.61Å; A114-F145 HydrophobicContact CB-CG 4.34Å; A114-F145 HydrophobicContact CB-CZ 4.02Å; A114-A148 HydrophobicContact CB-CB 3.59Å; A114-F150 HydrophobicContact CB-CE2 4.26Å; A114-F150 WeakPolarHBondContact O-CE2 3.26Å
115D98.6Very high97Very high10 Ų1038.9 Ų38.95%0.05320%0.201CC..Hα-helixtrans-59.7-39.3176-76.8-31.7000112R111 R119 I288R111-D115 IonicContact CZ-OD1 2.69Å; R111-D115 VanDerWaalsContact CZ-OD1 3.29Å; R111-D115 IonicContact CZ-OD2 3.05Å; R111-D115 IonicContact NE-OD1 3.4Å; R111-D115 PolarHBondContact NE-OD1 3.18Å; R111-D115 IonicContact NE-OD2 3.63Å; R111-D115 PolarHBondContact NE-OD2 3Å; R111-D115 IonicContact NH2-OD1 2.67Å; R111-D115 PolarHBondContact NH2-OD1 3.29Å; R111-D115 IonicContact NH2-OD2 3.62Å; R111-D115 PolarHBondContact O-N 3.2Å; D115-R119 WeakPolarHBondContact O-CD 3.31Å; D115-R119 VanDerWaalsContact O-CG 3.23Å; D115-R119 WeakPolarHBondContact O-CG 3.35Å; D115-R119 PolarHBondContact O-N 2.74Å; D115-I288 HydrophobicContact CB-CD1 4.36Å; D115-I288 HydrophobicContact CB-CG2 4.07Å
116F98.8Very high96.9Very high17 Ų1739.4 Ų39.48%0.07520%0.204CC..Hα-helixtrans-65.8-50.5174.9177.8-85.4000111.4I112 G113 A114 H118 R119 W120 F249 V281 Q284 M285 I288I112-F116 WeakPolarHBondContact O-CB 3.43Å; I112-F116 PolarHBondContact O-N 3.21Å; G113-F116 PolarHBondContact O-N 3.23Å; A114-F116 VanDerWaalsContact C-N 3.29Å; A114-F116 PolarHBondContact O-N 2.61Å; F116-H118 VanDerWaalsContact C-N 3.32Å; F116-H118 PolarHBondContact O-N 2.78Å; F116-R119 PolarHBondContact O-N 3.45Å; F116-W120 AromaticContact CD2-CD1 3.85Å; F116-W120 HydrophobicContact CE1-CB 4.24Å; F116-W120 HydrophobicContact CE2-CB 4.22Å; F116-W120 AromaticContact CE2-CD1 3.83Å; F116-W120 HydrophobicContact CE2-CG 4.35Å; F116-W120 HydrophobicContact CZ-CB 3.95Å; F116-W120 PolarHBondContact O-N 2.83Å; F116-F249 HydrophobicContact CB-CE2 4.49Å; F116-F249 AromaticContact CD1-CE2 3.86Å; F116-F249 HydrophobicContact CD1-CE2 3.86Å; F116-F249 AromaticContact CD1-CZ 3.5Å; F116-F249 HydrophobicContact CD1-CZ 3.5Å; F116-F249 VanDerWaalsContact CD1-CZ 3.5Å; F116-F249 AromaticContact CE1-CZ 3.88Å; F116-F249 HydrophobicContact CE1-CZ 3.88Å; F116-F249 HydrophobicContact CG-CE2 4.47Å; F116-F249 HydrophobicContact CG-CZ 4.26Å; F116-V281 HydrophobicContact CD2-CG1 4.42Å; F116-V281 HydrophobicContact CE1-CG1 4.29Å; F116-V281 HydrophobicContact CE2-CB 4.26Å; F116-V281 HydrophobicContact CE2-CG1 3.79Å; F116-V281 HydrophobicContact CE2-CG2 4.42Å; F116-V281 HydrophobicContact CZ-CB 4.12Å; F116-V281 HydrophobicContact CZ-CG1 3.73Å; F116-V281 HydrophobicContact CZ-CG2 3.81Å; F116-Q284 HydrophobicContact CD2-CB 4.19Å; F116-Q284 HydrophobicContact CE2-CB 3.91Å; F116-M285 HydrophobicContact CB-CE 3.34Å; F116-M285 HydrophobicContact CB-SD 3.77Å; F116-M285 HydrophobicContact CD1-CE 4.04Å; F116-M285 HydrophobicContact CD2-CE 3.72Å; F116-M285 HydrophobicContact CD2-CG 4.19Å; F116-M285 HydrophobicContact CD2-SD 4Å; F116-M285 HydrophobicContact CG-CE 3.41Å; F116-M285 VanDerWaalsContact CG-CE 3.41Å; F116-M285 HydrophobicContact CG-SD 4.1Å; F116-I288 HydrophobicContact CB-CD1 3.85Å; F116-I288 HydrophobicContact CD2-CD1 4.32Å
117L98.8Very high96.9Very high1 Ų139.5 Ų39.51%0.00520%0.204CC..Hα-helixtrans-61.9-42.9-177.6-69.2170.1000111G113 A114 R119 W120 Y121 N126 F150 I183 F216 F218 F249G113-L117 VanDerWaalsContact O-CG 3.28Å; G113-L117 WeakPolarHBondContact O-CG 3.46Å; G113-L117 PolarHBondContact O-N 3.14Å; A114-L117 PolarHBondContact O-N 2.62Å; L117-R119 PolarHBondContact O-N 2.62Å; L117-W120 PolarHBondContact O-N 2.98Å; L117-Y121 HydrophobicContact CD2-CD2 3.41Å; L117-Y121 VanDerWaalsContact CD2-CD2 3.41Å; L117-Y121 HydrophobicContact CD2-CE2 4.33Å; L117-Y121 HydrophobicContact CD2-CG 3.72Å; L117-Y121 WeakPolarHBondContact O-CB 3.27Å; L117-Y121 PolarHBondContact O-N 3.13Å; L117-Y121 VanDerWaalsContact O-N 3.08Å; L117-N126 WeakPolarHBondContact O-CB 3.47Å; L117-N126 PolarHBondContact O-ND2 2.91Å; L117-F150 HydrophobicContact CB-CZ 3.95Å; L117-I183 HydrophobicContact CB-CD1 4.03Å; L117-I183 HydrophobicContact CD1-CD1 4.02Å; L117-I183 HydrophobicContact CD1-CG1 4.47Å; L117-I183 HydrophobicContact CD1-CG2 4.25Å; L117-I183 HydrophobicContact CG-CD1 4.46Å; L117-F216 HydrophobicContact CD1-CD1 4.25Å; L117-F216 HydrophobicContact CD1-CE1 3.88Å; L117-F216 HydrophobicContact CD2-CD1 4.25Å; L117-F216 HydrophobicContact CD2-CE1 3.76Å; L117-F216 HydrophobicContact CD2-CZ 4Å; L117-F216 HydrophobicContact CG-CE1 4.47Å; L117-F218 HydrophobicContact CD1-CD1 3.74Å; L117-F218 HydrophobicContact CD1-CE1 4.11Å; L117-F249 HydrophobicContact CD1-CD2 4.04Å; L117-F249 HydrophobicContact CD1-CE2 4.15Å; L117-F249 HydrophobicContact CD2-CD2 4.38Å; L117-F249 HydrophobicContact CD2-CE2 3.88Å; L117-F249 HydrophobicContact CD2-CZ 4.25Å; L117-F249 HydrophobicContact CG-CD2 4.15Å; L117-F249 HydrophobicContact CG-CE2 3.73Å
118H98.6Very high96.8Very high35 Ų3541 Ų4116%0.16222%0.221CC..Hα-helixtrans-55.9-39.2174.2175.3-93.2000111.6A114 F116 N126 A127 A148 G149 F150A114-H118 VanDerWaalsContact O-CB 3.28Å; A114-H118 WeakPolarHBondContact O-CB 3.46Å; A114-H118 PolarHBondContact O-N 3.08Å; F116-H118 VanDerWaalsContact C-N 3.32Å; F116-H118 PolarHBondContact O-N 2.78Å; H118-N126 WeakPolarHBondContact O-CB 3.37Å; H118-N126 PolarHBondContact O-N 2.88Å; H118-N126 PolarHBondContact O-ND2 2.87Å; H118-A127 WeakPolarHBondContact NE2-CB 3.47Å; H118-A148 VanDerWaalsContact CG-O 3.3Å; H118-G149 PolarHBondContact NE2-O 2.92Å; H118-F150 HydrophobicContact CB-CD2 4.38Å; H118-F150 HydrophobicContact CB-CE2 3.79Å; H118-F150 HydrophobicContact CB-CZ 3.9Å
119R98.2Very high96.8Very high106 Ų10641.8 Ų41.840%0.423%0.225SC..Hα-helixtrans-82.3-37.9-178.1-67.3173.4-167.4-157.44.6113.6D115 F116 L117 V124 N125D115-R119 WeakPolarHBondContact O-CD 3.31Å; D115-R119 VanDerWaalsContact O-CG 3.23Å; D115-R119 WeakPolarHBondContact O-CG 3.35Å; D115-R119 PolarHBondContact O-N 2.74Å; F116-R119 PolarHBondContact O-N 3.45Å; L117-R119 PolarHBondContact O-N 2.62Å; R119-V124 WeakPolarHBondContact O-CA 3.45Å; R119-N125 PolarHBondContact O-N 3.18Å
120W97.5Very high96.7Very high102 Ų10242.5 Ų42.539%0.38623%0.229SC..Hα-helixtrans-137.71.4-158.4-53.2119.7000117.1F116 L117 G123 V124F116-W120 AromaticContact CD2-CD1 3.85Å; F116-W120 HydrophobicContact CE1-CB 4.24Å; F116-W120 HydrophobicContact CE2-CB 4.22Å; F116-W120 AromaticContact CE2-CD1 3.83Å; F116-W120 HydrophobicContact CE2-CG 4.35Å; F116-W120 HydrophobicContact CZ-CB 3.95Å; F116-W120 PolarHBondContact O-N 2.83Å; L117-W120 PolarHBondContact O-N 2.98Å; W120-G123 CarbonylContact C-O 3.53Å; W120-G123 VanDerWaalsContact C-O 3.24Å; W120-G123 VanDerWaalsContact CA-O 3.27Å; W120-G123 WeakPolarHBondContact CA-O 3.49Å; W120-V124 HydrophobicContact CE3-CG1 4Å; W120-V124 HydrophobicContact CZ3-CG1 3.67Å
121Y94Very high96.7Very high51 Ų5142.5 Ų42.520%0.223%0.229CC..THydrogen-bonded Turntrans-61.8-59.7-168.4176.1-120.2000115L117 N126 T129 H181 I183 F216L117-Y121 HydrophobicContact CD2-CD2 3.41Å; L117-Y121 VanDerWaalsContact CD2-CD2 3.41Å; L117-Y121 HydrophobicContact CD2-CE2 4.33Å; L117-Y121 HydrophobicContact CD2-CG 3.72Å; L117-Y121 WeakPolarHBondContact O-CB 3.27Å; L117-Y121 PolarHBondContact O-N 3.13Å; L117-Y121 VanDerWaalsContact O-N 3.08Å; Y121-N126 PolarHBondContact N-ND2 2.78Å; Y121-N126 VanDerWaalsContact N-ND2 3.19Å; Y121-T129 HydrophobicContact CD1-CG2 4.36Å; Y121-H181 HydrophobicContact CE1-CB 3.98Å; Y121-H181 VanDerWaalsContact CE1-O 3.23Å; Y121-H181 WeakPolarHBondContact CE1-O 3.05Å; Y121-I183 HydrophobicContact CD1-CD1 4.15Å; Y121-I183 HydrophobicContact CD1-CG1 4.2Å; Y121-I183 HydrophobicContact CE1-CG1 4.19Å; Y121-F216 HydrophobicContact CD2-CD2 4.22Å; Y121-F216 HydrophobicContact CD2-CE2 4.41Å; Y121-F216 HydrophobicContact CD2-CG 4.39Å; Y121-F216 HydrophobicContact CE1-CB 4.34Å; Y121-F216 HydrophobicContact CE2-CB 3.87Å; Y121-F216 HydrophobicContact CE2-CD1 4.33Å; Y121-F216 AromaticContact CE2-CD2 3.3Å; Y121-F216 HydrophobicContact CE2-CD2 3.3Å; Y121-F216 AromaticContact CE2-CE2 3.84Å; Y121-F216 HydrophobicContact CE2-CE2 3.84Å; Y121-F216 AromaticContact CE2-CG 3.56Å; Y121-F216 HydrophobicContact CE2-CG 3.56Å; Y121-F216 AromaticContact CZ-CD2 3.88Å; Y121-F216 AromaticContact CZ-CG 3.84Å; Y121-F216 WeakPolarHBondContact OH-CB 3.45Å
122N89.8Confident96.7Very high94 Ų9440 Ų4050%0.50322%0.22SC..THydrogen-bonded Turntrans-125.958.8178.4-170.621.4000110.6N126N122-N126 PolarHBondContact N-OD1 3.19Å
123G91.6Very high96.8Very high45 Ų4540.2 Ų40.246%0.46422%0.221SC..SBendtrans102.3-158.7-167.600000111.6W120 N126W120-G123 CarbonylContact C-O 3.53Å; W120-G123 VanDerWaalsContact C-O 3.24Å; W120-G123 VanDerWaalsContact CA-O 3.27Å; W120-G123 WeakPolarHBondContact CA-O 3.49Å; G123-N126 PolarHBondContact O-ND2 3.43Å
124V91.4Very high96.7Very high113 Ų11340.3 Ų40.369%0.68522%0.222SC*.SBendtrans-100139.8-176-59.90000111.2R119 W120R119-V124 WeakPolarHBondContact O-CA 3.45Å; W120-V124 HydrophobicContact CE3-CG1 4Å; W120-V124 HydrophobicContact CZ3-CG1 3.67Å
125N92.8Very high96.7Very high115 Ų11542.2 Ų42.262%0.61524%0.237SC*.  trans58.682.7178.3-174.215.7000114R119 A127R119-N125 PolarHBondContact O-N 3.18Å; N125-A127 PolarHBondContact O-N 2.78Å
126N97.1Very high96.5Very high10 Ų1043.6 Ų43.65%0.05325%0.247CC..  trans-97.427.5-176-61.4-92.9000112.1L117 H118 Y121 N122 G123 A128 T129 F150L117-N126 WeakPolarHBondContact O-CB 3.47Å; L117-N126 PolarHBondContact O-ND2 2.91Å; H118-N126 WeakPolarHBondContact O-CB 3.37Å; H118-N126 PolarHBondContact O-N 2.88Å; H118-N126 PolarHBondContact O-ND2 2.87Å; Y121-N126 PolarHBondContact N-ND2 2.78Å; Y121-N126 VanDerWaalsContact N-ND2 3.19Å; N122-N126 PolarHBondContact N-OD1 3.19Å; G123-N126 PolarHBondContact O-ND2 3.43Å; N126-A128 PolarHBondContact O-N 2.89Å; N126-A128 VanDerWaalsContact O-N 3.13Å; N126-T129 WeakPolarHBondContact CB-OG1 3.48Å; N126-T129 WeakPolarHBondContact O-CB 3.48Å; N126-T129 PolarHBondContact O-N 2.91Å; N126-T129 PolarHBondContact O-OG1 2.9Å; N126-F150 WeakPolarHBondContact O-CE1 3.27Å
127A97.1Very high96.4Very high9 Ų943.7 Ų43.77%0.07425%0.249CC..THydrogen-bonded Turntrans-56.9-28.4-178.900000113.8H118 N125 G149 K151H118-A127 WeakPolarHBondContact NE2-CB 3.47Å; N125-A127 PolarHBondContact O-N 2.78Å; A127-G149 WeakPolarHBondContact CB-O 3.5Å; A127-K151 HydrophobicContact CB-CD 4.43Å; A127-K151 HydrophobicContact CB-CG 4.4Å; A127-K151 PolarHBondContact O-N 2.96Å
128A96.9Very high96.3Very high77 Ų7746.8 Ų46.864%0.63626%0.261SS*.THydrogen-bonded Turntrans-92.1-3.3179.300000113.7N126 P130N126-A128 PolarHBondContact O-N 2.89Å; N126-A128 VanDerWaalsContact O-N 3.13Å; A128-P130 WeakPolarHBondContact O-CD 3.5Å
129T98.3Very high95.9Very high24 Ų2450.9 Ų50.915%0.14728%0.28CS..SBendtrans-66.3124.4177.7-63.60000109.2Y121 N126 V131 H181 I183Y121-T129 HydrophobicContact CD1-CG2 4.36Å; N126-T129 WeakPolarHBondContact CB-OG1 3.48Å; N126-T129 WeakPolarHBondContact O-CB 3.48Å; N126-T129 PolarHBondContact O-N 2.91Å; N126-T129 PolarHBondContact O-OG1 2.9Å; T129-V131 PolarHBondContact O-N 3.46Å; T129-H181 WeakPolarHBondContact CG2-O 3.4Å; T129-I183 HydrophobicContact CG2-CD1 3.94Å; T129-I183 HydrophobicContact CG2-CG1 4.19Å
130P98.6Very high95.8Very high15 Ų1548.8 Ų48.810%0.09728%0.277CS..  trans-62.6130.5178.7-23.934.9000111.5A128 Y132 D152 P179 I183A128-P130 WeakPolarHBondContact O-CD 3.5Å; P130-Y132 HydrophobicContact CB-CD2 4.2Å; P130-Y132 HydrophobicContact CB-CE2 3.65Å; P130-D152 WeakPolarHBondContact CA-O 3.43Å; P130-P179 HydrophobicContact CG-CG 4.2Å; P130-I183 PolarHBondContact O-N 3.4Å
131V98.9Very high95.8Very high0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-109.4122.3171.3-179.50000108.4T129 F145 F150 D152 I153 R154 I183 I185T129-V131 PolarHBondContact O-N 3.46Å; V131-F145 HydrophobicContact CB-CD1 4.39Å; V131-F145 HydrophobicContact CG1-CB 4.44Å; V131-F145 HydrophobicContact CG1-CD1 3.72Å; V131-F145 HydrophobicContact CG1-CD2 4.41Å; V131-F145 HydrophobicContact CG1-CE1 4.06Å; V131-F145 HydrophobicContact CG1-CG 3.93Å; V131-F145 HydrophobicContact CG2-CD1 3.91Å; V131-F145 HydrophobicContact CG2-CE1 4.47Å; V131-F150 HydrophobicContact CG2-CB 4.15Å; V131-F150 HydrophobicContact CG2-CD1 3.48Å; V131-F150 VanDerWaalsContact CG2-CD1 3.48Å; V131-F150 HydrophobicContact CG2-CD2 4.17Å; V131-F150 HydrophobicContact CG2-CE1 3.81Å; V131-F150 HydrophobicContact CG2-CE2 4.44Å; V131-F150 HydrophobicContact CG2-CG 3.67Å; V131-F150 HydrophobicContact CG2-CZ 4.26Å; V131-D152 PolarHBondContact N-O 2.69Å; V131-I153 HydrophobicContact CB-CG1 4.34Å; V131-I153 CarbonylContact O-C 3.36Å; V131-I153 VanDerWaalsContact O-CA 3.3Å; V131-I153 WeakPolarHBondContact O-CA 3.21Å; V131-R154 PolarHBondContact O-N 2.62Å; V131-I183 CarbonylContact C-O 2.92Å; V131-I183 WeakPolarHBondContact CA-O 3.49Å; V131-I183 HydrophobicContact CG1-CG2 4.48Å; V131-I183 HydrophobicContact CG2-CB 4.32Å; V131-I183 HydrophobicContact CG2-CD1 4.34Å; V131-I185 HydrophobicContact CG1-CD1 4.2Å; V131-I185 HydrophobicContact CG1-CG1 4.02Å
132Y98.9Very high96Very high16 Ų1644.6 Ų44.66%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-103.2126.8-179.2-76.6-93.7000110.6P130 R154 A178 I183 F184 I185P130-Y132 HydrophobicContact CB-CD2 4.2Å; P130-Y132 HydrophobicContact CB-CE2 3.65Å; Y132-R154 CarbonylContact C-O 3.51Å; Y132-R154 VanDerWaalsContact CA-O 3.3Å; Y132-R154 WeakPolarHBondContact CA-O 3.22Å; Y132-R154 HydrophobicContact CD1-CB 3.85Å; Y132-R154 HydrophobicContact CE1-CB 3.8Å; Y132-R154 HydrophobicContact CE1-CG 4.49Å; Y132-R154 HydrophobicContact CG-CB 4.42Å; Y132-R154 PolarHBondContact OH-NH1 3.41Å; Y132-A178 HydrophobicContact CE2-CB 3.87Å; Y132-I183 PolarHBondContact N-O 3.02Å; Y132-F184 VanDerWaalsContact CB-CD1 3.48Å; Y132-F184 AromaticContact CD1-CE1 3.96Å; Y132-F184 HydrophobicContact CD1-CE1 3.96Å; Y132-F184 AromaticContact CD1-CZ 3.81Å; Y132-F184 HydrophobicContact CD1-CZ 3.81Å; Y132-F184 HydrophobicContact CD2-CD2 4.22Å; Y132-F184 HydrophobicContact CD2-CE1 4.19Å; Y132-F184 AromaticContact CD2-CE2 3.54Å; Y132-F184 HydrophobicContact CD2-CE2 3.54Å; Y132-F184 AromaticContact CD2-CZ 3.52Å; Y132-F184 HydrophobicContact CD2-CZ 3.52Å; Y132-F184 HydrophobicContact CE1-CZ 4.3Å; Y132-F184 HydrophobicContact CE2-CE2 4.13Å; Y132-F184 HydrophobicContact CE2-CZ 4.06Å; Y132-F184 HydrophobicContact CG-CD1 4.21Å; Y132-F184 HydrophobicContact CG-CD2 4.42Å; Y132-F184 AromaticContact CG-CE1 3.59Å; Y132-F184 HydrophobicContact CG-CE1 3.59Å; Y132-F184 AromaticContact CG-CE2 3.83Å; Y132-F184 HydrophobicContact CG-CE2 3.83Å; Y132-F184 AromaticContact CG-CZ 3.36Å; Y132-F184 HydrophobicContact CG-CZ 3.36Å; Y132-I185 PolarHBondContact O-N 3.42Å
133V98.8Very high96.3Very high4 Ų441.4 Ų41.42%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-122.8146.8174.5-59.60000109.8T137 H141 I153 R154 P155 Y156 I185V133-T137 HydrophobicContact CB-CG2 4.01Å; V133-T137 HydrophobicContact CG2-CG2 4.03Å; V133-H141 HydrophobicContact CG1-CB 4.06Å; V133-I153 HydrophobicContact CG1-CG2 4.36Å; V133-I153 HydrophobicContact CG2-CG2 4.26Å; V133-R154 PolarHBondContact N-O 3.27Å; V133-P155 CarbonylContact O-C 3.59Å; V133-P155 VanDerWaalsContact O-CA 3.23Å; V133-P155 WeakPolarHBondContact O-CA 3.24Å; V133-Y156 WeakPolarHBondContact O-CD1 3.37Å; V133-Y156 PolarHBondContact O-N 3.29Å; V133-I185 HydrophobicContact CG1-CB 4.16Å; V133-I185 HydrophobicContact CG1-CG1 3.84Å
134S98.6Very high96.7Very high3 Ų339.7 Ų39.72%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-62150-176.522.70000112P136 T137 Y156 H191S134-P136 VanDerWaalsContact C-C 3.44Å; S134-P136 CarbonylContact C-O 3.55Å; S134-P136 VanDerWaalsContact C-O 3.22Å; S134-P136 VanDerWaalsContact CB-O 3.31Å; S134-P136 WeakPolarHBondContact CB-O 3.49Å; S134-P136 CarbonylContact O-C 3.57Å; S134-P136 WeakPolarHBondContact O-CA 3.23Å; S134-P136 VanDerWaalsContact O-O 3.1Å; S134-P136 PolarHBondContact OG-O 3.37Å; S134-T137 WeakPolarHBondContact O-CB 3.46Å; S134-T137 PolarHBondContact O-N 3.3Å; S134-T137 PolarHBondContact OG-OG1 3.12Å; S134-Y156 CarbonylContact C-O 3.43Å; S134-Y156 VanDerWaalsContact CA-CE1 3.43Å; S134-Y156 WeakPolarHBondContact CB-OH 3.49Å; S134-Y156 PolarHBondContact OG-OH 3.33Å; S134-H191 PolarHBondContact OG-NE2 3.32Å
135A97.1Very high97Very high39 Ų3934.3 Ų34.332%0.32220%0.202SC..EExtended strand (participates in β ladder)trans-105.4106.1170.300000109.9P155 Y156 W159A135-P155 HydrophobicContact CB-CB 3.92Å; A135-Y156 WeakPolarHBondContact CB-O 3.33Å; A135-Y156 PolarHBondContact N-O 2.94Å; A135-W159 PolarHBondContact O-N 2.87Å
136P95.8Very high97.2Very high40 Ų4032.5 Ų32.526%0.2620%0.196SC..SBendcis-79.7177.5-936.1-36.1000112.7S134 W159 H191 P193 T194 F360S134-P136 VanDerWaalsContact C-C 3.44Å; S134-P136 CarbonylContact C-O 3.55Å; S134-P136 VanDerWaalsContact C-O 3.22Å; S134-P136 VanDerWaalsContact CB-O 3.31Å; S134-P136 WeakPolarHBondContact CB-O 3.49Å; S134-P136 CarbonylContact O-C 3.57Å; S134-P136 WeakPolarHBondContact O-CA 3.23Å; S134-P136 VanDerWaalsContact O-O 3.1Å; S134-P136 PolarHBondContact OG-O 3.37Å; P136-W159 VanDerWaalsContact CD-CB 3.5Å; P136-H191 PolarHBondContact O-CE1 3.17Å; P136-H191 PolarHBondContact O-NE2 3.19Å; P136-P193 HydrophobicContact CB-CG 4.11Å; P136-P193 HydrophobicContact CG-CG 3.78Å; P136-T194 HydrophobicContact CG-CG2 3.76Å; P136-F360 HydrophobicContact CG-CE1 3.78Å; P136-F360 HydrophobicContact CG-CZ 4.21Å
137T96.8Very high97.3Very high18 Ų1837.7 Ų37.711%0.1122%0.223CC..  trans-144.2-179.9175.2-159.70000111V133 S134 E139 H141 H187 N192V133-T137 HydrophobicContact CB-CG2 4.01Å; V133-T137 HydrophobicContact CG2-CG2 4.03Å; S134-T137 WeakPolarHBondContact O-CB 3.46Å; S134-T137 PolarHBondContact O-N 3.3Å; S134-T137 PolarHBondContact OG-OG1 3.12Å; T137-E139 PolarHBondContact O-N 3.07Å; T137-H141 HydrophobicContact CG2-CB 4.12Å; T137-H141 PolarHBondContact OG1-ND1 2.74Å; T137-H187 PolarHBondContact OG1-NE2 3.46Å; T137-N192 CarbonylContact C-O 3.22Å
138W95.3Very high97.3Very high67 Ų6737.6 Ų37.625%0.25422%0.222SC..  trans-64.1118.5169.7177.149.5000109.4T107 L110 N140 H141 N192T107-W138 HydrophobicContact CG2-CH2 4.13Å; T107-W138 WeakPolarHBondContact OG1-CH2 3.42Å; L110-W138 HydrophobicContact CD1-CE3 4.41Å; L110-W138 HydrophobicContact CD1-CZ3 3.92Å; W138-N140 HydrophobicContact CD2-CB 3.94Å; W138-N140 HydrophobicContact CE3-CB 3.96Å; W138-N140 HydrophobicContact CH2-CB 3.42Å; W138-N140 VanDerWaalsContact CH2-CB 3.42Å; W138-N140 VanDerWaalsContact CH2-ND2 3.25Å; W138-N140 WeakPolarHBondContact CH2-ND2 3.23Å; W138-N140 HydrophobicContact CZ2-CB 3.37Å; W138-N140 HydrophobicContact CZ3-CB 3.72Å; W138-N140 PolarHBondContact O-N 2.75Å; W138-H141 AromaticContact CE3-CD2 3.72Å; W138-H141 AromaticContact CE3-NE2 3.79Å; W138-H141 WeakPolarHBondContact O-CB 3.3Å; W138-H141 PolarHBondContact O-N 2.91Å; W138-N192 HydrophobicContact CB-CB 4.45Å; W138-N192 PolarHBondContact N-O 2.97Å
139E90.9Very high97.4Very high120 Ų12035.2 Ų35.256%0.56121%0.206SC*.THydrogen-bonded Turntrans-39.3-44.9-172.6-177.8-176.6-176.400114.1T137 H141T137-E139 PolarHBondContact O-N 3.07Å; E139-H141 VanDerWaalsContact C-N 3.27Å; E139-H141 PolarHBondContact O-N 3.3Å
140N95.8Very high97.4Very high63 Ų6334.4 Ų34.434%0.33720%0.2SC..Hα-helixtrans-74.7-8.6-172.8-159.349.3000114.5T107 W138 N142 G143 V144T107-N140 WeakPolarHBondContact CG2-ND2 3.3Å; W138-N140 HydrophobicContact CD2-CB 3.94Å; W138-N140 HydrophobicContact CE3-CB 3.96Å; W138-N140 HydrophobicContact CH2-CB 3.42Å; W138-N140 VanDerWaalsContact CH2-CB 3.42Å; W138-N140 VanDerWaalsContact CH2-ND2 3.25Å; W138-N140 WeakPolarHBondContact CH2-ND2 3.23Å; W138-N140 HydrophobicContact CZ2-CB 3.37Å; W138-N140 HydrophobicContact CZ3-CB 3.72Å; W138-N140 PolarHBondContact O-N 2.75Å; N140-N142 VanDerWaalsContact C-N 3.32Å; N140-N142 PolarHBondContact O-N 2.91Å; N140-G143 PolarHBondContact O-N 2.96Å; N140-V144 WeakPolarHBondContact O-CB 3.48Å; N140-V144 VanDerWaalsContact O-CG2 3.26Å; N140-V144 WeakPolarHBondContact O-CG2 3.42Å; N140-V144 PolarHBondContact O-N 3.03Å
141H98.5Very high97.3Very high0 Ų042.2 Ų42.20%023%0.233CC..Hα-helixtrans-56.9-47.3172-74.8153.8000111.3V133 T137 W138 E139 G143 V144 F145 H187 D220V133-H141 HydrophobicContact CG1-CB 4.06Å; T137-H141 HydrophobicContact CG2-CB 4.12Å; T137-H141 PolarHBondContact OG1-ND1 2.74Å; W138-H141 AromaticContact CE3-CD2 3.72Å; W138-H141 AromaticContact CE3-NE2 3.79Å; W138-H141 WeakPolarHBondContact O-CB 3.3Å; W138-H141 PolarHBondContact O-N 2.91Å; E139-H141 VanDerWaalsContact C-N 3.27Å; E139-H141 PolarHBondContact O-N 3.3Å; H141-G143 PolarHBondContact O-N 3.25Å; H141-V144 PolarHBondContact O-N 3.39Å; H141-F145 WeakPolarHBondContact O-CD2 3.18Å; H141-F145 PolarHBondContact O-N 3.17Å; H141-F145 VanDerWaalsContact O-N 3.17Å; H141-H187 AromaticContact CE1-CE1 3.75Å; H141-H187 AromaticContact CE1-NE2 3.47Å; H141-H187 PolarHBondContact CE1-NE2 3.22Å; H141-H187 AromaticContact ND1-NE2 3.9Å; H141-D220 IonicContact CE1-OD2 2.91Å; H141-D220 IonicContact NE2-OD2 3.54Å; H141-D220 PolarHBondContact NE2-OD2 2.87Å; H141-D220 VanDerWaalsContact NE2-OD2 3.14Å
142N97.6Very high97.3Very high65 Ų6544.3 Ų44.335%0.34824%0.244SC..Hα-helixtrans-60.3-45.6179.1-63.5-71.9000111.6N140 T146 I153N140-N142 VanDerWaalsContact C-N 3.32Å; N140-N142 PolarHBondContact O-N 2.91Å; N142-T146 VanDerWaalsContact O-CB 3.28Å; N142-T146 WeakPolarHBondContact O-CB 3.35Å; N142-T146 PolarHBondContact O-N 3.33Å; N142-T146 PolarHBondContact O-OG1 3.18Å; N142-I153 WeakPolarHBondContact OD1-CG2 3.31Å
143G96.8Very high97.3Very high26 Ų2645.4 Ų45.427%0.26825%0.25SS..Hα-helixtrans-61.7-47.9178.100000112.5N140 H141 F145 T146 D147N140-G143 PolarHBondContact O-N 2.96Å; H141-G143 PolarHBondContact O-N 3.25Å; G143-F145 PolarHBondContact O-N 3.24Å; G143-T146 PolarHBondContact O-N 3.46Å; G143-D147 WeakPolarHBondContact O-CB 3.41Å; G143-D147 PolarHBondContact O-N 3.06Å
144V98.3Very high97.3Very high9 Ų949.1 Ų49.16%0.05526%0.264CS..Hα-helixtrans-58.4-46.1-179168.90000112.1T107 L110 R111 A114 N140 H141 A148T107-V144 HydrophobicContact CG2-CG2 4.14Å; L110-V144 HydrophobicContact CB-CG1 3.98Å; R111-V144 HydrophobicContact CB-CG1 4.31Å; A114-V144 HydrophobicContact CB-CG1 4.48Å; N140-V144 WeakPolarHBondContact O-CB 3.48Å; N140-V144 VanDerWaalsContact O-CG2 3.26Å; N140-V144 WeakPolarHBondContact O-CG2 3.42Å; N140-V144 PolarHBondContact O-N 3.03Å; H141-V144 PolarHBondContact O-N 3.39Å; V144-A148 WeakPolarHBondContact O-CB 3.46Å; V144-A148 PolarHBondContact O-N 2.95Å; V144-A148 VanDerWaalsContact O-N 3.12Å
145F98.5Very high97.3Very high0 Ų053.4 Ų53.40%029%0.291CS..Hα-helixtrans-75.9-33.7-179.4-78.6-90.9000112.5L110 A114 V131 H141 G143 A148 G149 F150 I153 I185 F218L110-F145 HydrophobicContact CD2-CE2 4.46Å; A114-F145 HydrophobicContact CB-CD1 3.78Å; A114-F145 HydrophobicContact CB-CE1 3.61Å; A114-F145 HydrophobicContact CB-CG 4.34Å; A114-F145 HydrophobicContact CB-CZ 4.02Å; V131-F145 HydrophobicContact CB-CD1 4.39Å; V131-F145 HydrophobicContact CG1-CB 4.44Å; V131-F145 HydrophobicContact CG1-CD1 3.72Å; V131-F145 HydrophobicContact CG1-CD2 4.41Å; V131-F145 HydrophobicContact CG1-CE1 4.06Å; V131-F145 HydrophobicContact CG1-CG 3.93Å; V131-F145 HydrophobicContact CG2-CD1 3.91Å; V131-F145 HydrophobicContact CG2-CE1 4.47Å; H141-F145 WeakPolarHBondContact O-CD2 3.18Å; H141-F145 PolarHBondContact O-N 3.17Å; H141-F145 VanDerWaalsContact O-N 3.17Å; G143-F145 PolarHBondContact O-N 3.24Å; F145-A148 PolarHBondContact O-N 3Å; F145-G149 PolarHBondContact O-N 3.15Å; F145-F150 HydrophobicContact CB-CD2 4.27Å; F145-F150 AromaticContact CD1-CD2 3.69Å; F145-F150 HydrophobicContact CD1-CD2 3.69Å; F145-F150 AromaticContact CD1-CE2 3.73Å; F145-F150 HydrophobicContact CD1-CE2 3.73Å; F145-F150 HydrophobicContact CD1-CG 4.48Å; F145-F150 HydrophobicContact CE1-CE2 4.21Å; F145-F150 HydrophobicContact CG-CD2 4.47Å; F145-F150 WeakPolarHBondContact O-CB 3.38Å; F145-F150 WeakPolarHBondContact O-CD2 3.36Å; F145-F150 PolarHBondContact O-N 3.48Å; F145-I153 HydrophobicContact CB-CD1 3.77Å; F145-I153 HydrophobicContact CB-CG1 4.26Å; F145-I185 HydrophobicContact CD2-CG1 4.47Å; F145-I185 HydrophobicContact CE1-CD1 3.9Å; F145-I185 HydrophobicContact CE2-CD1 3.55Å; F145-I185 HydrophobicContact CE2-CG1 3.81Å; F145-I185 HydrophobicContact CZ-CD1 3.19Å; F145-I185 HydrophobicContact CZ-CG1 3.98Å; F145-F218 HydrophobicContact CE1-CD1 4.41Å; F145-F218 AromaticContact CZ-CD1 3.82Å; F145-F218 HydrophobicContact CZ-CD1 3.82Å; F145-F218 AromaticContact CZ-CE1 3.92Å; F145-F218 HydrophobicContact CZ-CE1 3.92Å
146T98.1Very high97.3Very high78 Ų7851.7 Ų51.748%0.47928%0.277SS..Hα-helixtrans-61.8-50.7173.9-59.10000110N142 G143 A148 G149 I153N142-T146 VanDerWaalsContact O-CB 3.28Å; N142-T146 WeakPolarHBondContact O-CB 3.35Å; N142-T146 PolarHBondContact O-N 3.33Å; N142-T146 PolarHBondContact O-OG1 3.18Å; G143-T146 PolarHBondContact O-N 3.46Å; T146-A148 PolarHBondContact O-N 3.32Å; T146-G149 PolarHBondContact O-N 3.42Å; T146-I153 WeakPolarHBondContact OG1-CD1 3.48Å
147D97.5Very high97.5Very high118 Ų11854.4 Ų54.463%0.63129%0.286SS*.Hα-helixtrans-68.6-20.2-179.1-69.9-12000112.2R111 G143R111-D147 VanDerWaalsContact CZ-O 3.31Å; R111-D147 PolarHBondContact NH1-O 3.49Å; R111-D147 PolarHBondContact NH2-O 2.69Å; G143-D147 WeakPolarHBondContact O-CB 3.41Å; G143-D147 PolarHBondContact O-N 3.06Å
148A97.9Very high97.5Very high7 Ų753.8 Ų53.86%0.05828%0.282CS..THydrogen-bonded Turntrans-75-13.3172.100000112.7A114 H118 V144 F145 T146 F150A114-A148 HydrophobicContact CB-CB 3.59Å; H118-A148 VanDerWaalsContact CG-O 3.3Å; V144-A148 WeakPolarHBondContact O-CB 3.46Å; V144-A148 PolarHBondContact O-N 2.95Å; V144-A148 VanDerWaalsContact O-N 3.12Å; F145-A148 PolarHBondContact O-N 3Å; T146-A148 PolarHBondContact O-N 3.32Å; A148-F150 HydrophobicContact CB-CD2 4.21Å; A148-F150 HydrophobicContact CB-CE2 4.43Å
149G97.9Very high97.5Very high28 Ų2852.9 Ų52.929%0.28928%0.278SS..THydrogen-bonded Turntrans106.53.6176.200000114.9H118 A127 F145 T146H118-G149 PolarHBondContact NE2-O 2.92Å; A127-G149 WeakPolarHBondContact CB-O 3.5Å; F145-G149 PolarHBondContact O-N 3.15Å; T146-G149 PolarHBondContact O-N 3.42Å
150F98.6Very high97.6Very high6 Ų648.6 Ų48.63%0.02626%0.259CS..  trans-69.9133.4173.9-69.6-84.6000110.7A114 L117 H118 N126 V131 F145 A148 I153 I183A114-F150 HydrophobicContact CB-CE2 4.26Å; A114-F150 WeakPolarHBondContact O-CE2 3.26Å; L117-F150 HydrophobicContact CB-CZ 3.95Å; H118-F150 HydrophobicContact CB-CD2 4.38Å; H118-F150 HydrophobicContact CB-CE2 3.79Å; H118-F150 HydrophobicContact CB-CZ 3.9Å; N126-F150 WeakPolarHBondContact O-CE1 3.27Å; V131-F150 HydrophobicContact CG2-CB 4.15Å; V131-F150 HydrophobicContact CG2-CD1 3.48Å; V131-F150 VanDerWaalsContact CG2-CD1 3.48Å; V131-F150 HydrophobicContact CG2-CD2 4.17Å; V131-F150 HydrophobicContact CG2-CE1 3.81Å; V131-F150 HydrophobicContact CG2-CE2 4.44Å; V131-F150 HydrophobicContact CG2-CG 3.67Å; V131-F150 HydrophobicContact CG2-CZ 4.26Å; F145-F150 HydrophobicContact CB-CD2 4.27Å; F145-F150 AromaticContact CD1-CD2 3.69Å; F145-F150 HydrophobicContact CD1-CD2 3.69Å; F145-F150 AromaticContact CD1-CE2 3.73Å; F145-F150 HydrophobicContact CD1-CE2 3.73Å; F145-F150 HydrophobicContact CD1-CG 4.48Å; F145-F150 HydrophobicContact CE1-CE2 4.21Å; F145-F150 HydrophobicContact CG-CD2 4.47Å; F145-F150 WeakPolarHBondContact O-CB 3.38Å; F145-F150 WeakPolarHBondContact O-CD2 3.36Å; F145-F150 PolarHBondContact O-N 3.48Å; A148-F150 HydrophobicContact CB-CD2 4.21Å; A148-F150 HydrophobicContact CB-CE2 4.43Å; F150-I153 HydrophobicContact CB-CG1 4.37Å; F150-I183 HydrophobicContact CE1-CD1 3.84Å; F150-I183 HydrophobicContact CZ-CD1 3.87Å
151K97.9Very high97.2Very high180 Ų18049 Ų4978%0.78327%0.271SS*.SBendtrans-99.5-12.3-176.3-61.7-177.5179.2-178.60113.5A127A127-K151 HydrophobicContact CB-CD 4.43Å; A127-K151 HydrophobicContact CB-CG 4.4Å; A127-K151 PolarHBondContact O-N 2.96Å
152D98Very high96.7Very high44 Ų4453.6 Ų53.624%0.23531%0.309CS..  trans-132.586.7-171.5-170.13000110.1P130 V131 R154P130-D152 WeakPolarHBondContact CA-O 3.43Å; V131-D152 PolarHBondContact N-O 2.69Å; D152-R154 VanDerWaalsContact CG-NE 3.27Å; D152-R154 VanDerWaalsContact OD1-CG 3.23Å; D152-R154 WeakPolarHBondContact OD1-CG 3.43Å; D152-R154 IonicContact OD1-CZ 2.62Å; D152-R154 IonicContact OD1-NE 3.73Å; D152-R154 PolarHBondContact OD1-NE 3.48Å; D152-R154 IonicContact OD1-NH2 2.92Å; D152-R154 IonicContact OD2-CZ 2.61Å; D152-R154 IonicContact OD2-NE 2.62Å; D152-R154 PolarHBondContact OD2-NE 2.99Å; D152-R154 VanDerWaalsContact OD2-NE 3.08Å; D152-R154 IonicContact OD2-NH2 2.7Å; D152-R154 PolarHBondContact OD2-NH2 3.35Å
153I98.5Very high96.1Very high39 Ų3957.1 Ų57.120%0.232%0.321CS..EExtended strand (participates in β ladder)trans-109.5117.7178.2-57.3164.6000107.6V131 V133 N142 F145 T146 F150V131-I153 HydrophobicContact CB-CG1 4.34Å; V131-I153 CarbonylContact O-C 3.36Å; V131-I153 VanDerWaalsContact O-CA 3.3Å; V131-I153 WeakPolarHBondContact O-CA 3.21Å; V133-I153 HydrophobicContact CG1-CG2 4.36Å; V133-I153 HydrophobicContact CG2-CG2 4.26Å; N142-I153 WeakPolarHBondContact OD1-CG2 3.31Å; F145-I153 HydrophobicContact CB-CD1 3.77Å; F145-I153 HydrophobicContact CB-CG1 4.26Å; T146-I153 WeakPolarHBondContact OG1-CD1 3.48Å; F150-I153 HydrophobicContact CB-CG1 4.37Å
154R98.4Very high95.7Very high82 Ų8258.7 Ų58.731%0.30932%0.319SS..EExtended strand (participates in β ladder)trans-117.3141-170.5-58.3178.5-174.7-178.8-2110.6V131 Y132 V133 D152V131-R154 PolarHBondContact O-N 2.62Å; Y132-R154 CarbonylContact C-O 3.51Å; Y132-R154 VanDerWaalsContact CA-O 3.3Å; Y132-R154 WeakPolarHBondContact CA-O 3.22Å; Y132-R154 HydrophobicContact CD1-CB 3.85Å; Y132-R154 HydrophobicContact CE1-CB 3.8Å; Y132-R154 HydrophobicContact CE1-CG 4.49Å; Y132-R154 HydrophobicContact CG-CB 4.42Å; Y132-R154 PolarHBondContact OH-NH1 3.41Å; V133-R154 PolarHBondContact N-O 3.27Å; D152-R154 VanDerWaalsContact CG-NE 3.27Å; D152-R154 VanDerWaalsContact OD1-CG 3.23Å; D152-R154 WeakPolarHBondContact OD1-CG 3.43Å; D152-R154 IonicContact OD1-CZ 2.62Å; D152-R154 IonicContact OD1-NE 3.73Å; D152-R154 PolarHBondContact OD1-NE 3.48Å; D152-R154 IonicContact OD1-NH2 2.92Å; D152-R154 IonicContact OD2-CZ 2.61Å; D152-R154 IonicContact OD2-NE 2.62Å; D152-R154 PolarHBondContact OD2-NE 2.99Å; D152-R154 VanDerWaalsContact OD2-NE 3.08Å; D152-R154 IonicContact OD2-NH2 2.7Å; D152-R154 PolarHBondContact OD2-NH2 3.35Å
155P98.5Very high95.3Very high92 Ų9259 Ų5960%0.59732%0.324SS*.EExtended strand (participates in β ladder)trans-69.2149.5164.528.7-31.2000110.7V133 A135V133-P155 CarbonylContact O-C 3.59Å; V133-P155 VanDerWaalsContact O-CA 3.23Å; V133-P155 WeakPolarHBondContact O-CA 3.24Å; A135-P155 HydrophobicContact CB-CB 3.92Å
156Y98.8Very high95.1Very high4 Ų460.1 Ų60.12%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-121.7146.6158.768.4-91.6000110.2V133 S134 A135 Y158 L171 D174 F184 I185V133-Y156 WeakPolarHBondContact O-CD1 3.37Å; V133-Y156 PolarHBondContact O-N 3.29Å; S134-Y156 CarbonylContact C-O 3.43Å; S134-Y156 VanDerWaalsContact CA-CE1 3.43Å; S134-Y156 WeakPolarHBondContact CB-OH 3.49Å; S134-Y156 PolarHBondContact OG-OH 3.33Å; A135-Y156 WeakPolarHBondContact CB-O 3.33Å; A135-Y156 PolarHBondContact N-O 2.94Å; Y156-Y158 AromaticContact CE2-CD2 3.82Å; Y156-Y158 HydrophobicContact CE2-CD2 3.82Å; Y156-Y158 PolarHBondContact O-N 3.36Å; Y156-L171 HydrophobicContact CD2-CG 4.06Å; Y156-L171 HydrophobicContact CE2-CD1 4.17Å; Y156-L171 HydrophobicContact CE2-CG 4.1Å; Y156-D174 VanDerWaalsContact CA-OD2 3.3Å; Y156-D174 WeakPolarHBondContact CA-OD2 3.38Å; Y156-F184 HydrophobicContact CD1-CD1 4.02Å; Y156-F184 HydrophobicContact CD1-CE1 4.09Å; Y156-F184 HydrophobicContact CE1-CD1 4.17Å; Y156-F184 HydrophobicContact CG-CD1 4.46Å; Y156-F184 HydrophobicContact CG-CE1 4.19Å; Y156-I185 PolarHBondContact OH-O 3.49Å
157H98.6Very high95.1Very high97 Ų9757.9 Ų57.945%0.44932%0.315SS..EExtended strand (participates in β ladder)trans-58.4133.6179.9-67.388.1000110.5D167 L171 D174H157-D167 IonicContact CD2-OD2 2.78Å; H157-D167 IonicContact CG-OD2 2.74Å; H157-L171 WeakPolarHBondContact O-CA 3.31Å; H157-L171 VanDerWaalsContact O-CB 3.29Å; H157-L171 WeakPolarHBondContact O-CB 3.44Å; H157-D174 IonicContact CE1-OD2 3.18Å; H157-D174 IonicContact CG-OD2 3.83Å; H157-D174 PolarHBondContact N-OD2 3.14Å; H157-D174 IonicContact ND1-OD1 3.08Å; H157-D174 IonicContact ND1-OD2 3.67Å; H157-D174 PolarHBondContact ND1-OD2 2.85Å
158Y98Very high95.2Very high5 Ų554.1 Ų54.12%0.0230%0.295CS..  trans-148-45.5-178.1-167.9-92.3000111.8Y156 L166 D167 L171 H191 T196Y156-Y158 AromaticContact CE2-CD2 3.82Å; Y156-Y158 HydrophobicContact CE2-CD2 3.82Å; Y156-Y158 PolarHBondContact O-N 3.36Å; Y158-L166 HydrophobicContact CD1-CD1 4.26Å; Y158-L166 HydrophobicContact CD2-CD1 3.75Å; Y158-L166 HydrophobicContact CE1-CD1 4.08Å; Y158-L166 HydrophobicContact CE2-CD1 3.6Å; Y158-L166 HydrophobicContact CG-CD1 4.11Å; Y158-L166 CarbonylContact O-C 3.19Å; Y158-L166 WeakPolarHBondContact O-CA 3.36Å; Y158-D167 PolarHBondContact O-N 3.34Å; Y158-L171 HydrophobicContact CD2-CD1 3.92Å; Y158-L171 HydrophobicContact CE2-CD1 4.28Å; Y158-H191 AromaticContact CD1-CD2 3.85Å; Y158-H191 AromaticContact CD1-CE1 3.84Å; Y158-H191 AromaticContact CD1-NE2 3.63Å; Y158-H191 HydrophobicContact CE1-CB 3.97Å; Y158-H191 AromaticContact CE1-CD2 3.25Å; Y158-H191 WeakPolarHBondContact CE1-CD2 3.37Å; Y158-H191 AromaticContact CE1-CE1 3.81Å; Y158-H191 AromaticContact CE1-CG 3.38Å; Y158-H191 AromaticContact CE1-ND1 3.77Å; Y158-H191 AromaticContact CE1-NE2 3.54Å; Y158-H191 AromaticContact CZ-CD2 3.38Å; Y158-H191 AromaticContact CZ-CG 3.79Å; Y158-H191 AromaticContact CZ-NE2 3.99Å; Y158-T196 VanDerWaalsContact CE1-O 3.27Å; Y158-T196 WeakPolarHBondContact CE1-O 3.39Å; Y158-T196 PolarHBondContact OH-O 3.49Å
159W94.4Very high95.2Very high47 Ų4759 Ų5918%0.17832%0.324CS..EExtended strand (participates in β ladder)trans-103.8120.4-177.7173.4-102.7000112.2A135 P136 R164 T194 T196 F360A135-W159 PolarHBondContact O-N 2.87Å; P136-W159 VanDerWaalsContact CD-CB 3.5Å; W159-R164 HydrophobicContact CH2-CB 3.61Å; W159-R164 HydrophobicContact CH2-CG 4.28Å; W159-R164 WeakPolarHBondContact CH2-O 3.24Å; W159-R164 HydrophobicContact CZ2-CB 3.95Å; W159-R164 HydrophobicContact CZ2-CG 4.14Å; W159-R164 HydrophobicContact CZ3-CB 4.47Å; W159-R164 VanDerWaalsContact CZ3-O 3.24Å; W159-R164 WeakPolarHBondContact CZ3-O 3.24Å; W159-T194 HydrophobicContact CB-CG2 4.17Å; W159-T194 HydrophobicContact CD2-CG2 4.1Å; W159-T194 HydrophobicContact CE3-CG2 3.83Å; W159-T194 HydrophobicContact CG-CG2 4.27Å; W159-T196 WeakPolarHBondContact CZ3-OG1 3.35Å; W159-F360 HydrophobicContact CD2-CD1 4.31Å; W159-F360 HydrophobicContact CH2-CB 4.1Å; W159-F360 HydrophobicContact CZ2-CB 4.3Å; W159-F360 HydrophobicContact CZ2-CD1 4.13Å
160D92.5Very high95.2Very high30 Ų3058.2 Ų58.216%0.1632%0.316CS..EExtended strand (participates in β ladder)trans-91.3109.2167.2-175.5-34.5000109A162 K163 R164 G165 D167D160-A162 VanDerWaalsContact C-N 3.3Å; D160-A162 PolarHBondContact O-N 3.44Å; D160-A162 WeakPolarHBondContact OD1-CA 3.08Å; D160-A162 WeakPolarHBondContact OD1-CB 3.19Å; D160-A162 PolarHBondContact OD1-N 3.09Å; D160-K163 HydrophobicContact CB-CB 4.03Å; D160-K163 HydrophobicContact CB-CD 4.37Å; D160-K163 HydrophobicContact CB-CG 4.34Å; D160-K163 PolarHBondContact O-N 3.01Å; D160-K163 PolarHBondContact OD1-N 3.41Å; D160-K163 WeakPolarHBondContact OD2-CD 3.33Å; D160-K163 WeakPolarHBondContact OD2-CE 3.44Å; D160-K163 VanDerWaalsContact OD2-CG 3.3Å; D160-K163 WeakPolarHBondContact OD2-CG 3.29Å; D160-K163 IonicContact OD2-NZ 3.65Å; D160-K163 PolarHBondContact OD2-NZ 3.5Å; D160-R164 WeakPolarHBondContact O-CA 3.36Å; D160-R164 PolarHBondContact O-N 3.14Å; D160-G165 PolarHBondContact N-O 3Å; D160-G165 PolarHBondContact O-N 3.03Å; D160-D167 HydrophobicContact CB-CB 4.11Å
161A88.3Confident95.2Very high71 Ų7158.2 Ų58.259%0.58732%0.316SS*.THydrogen-bonded Turntrans-67.7-27.9-178.100000113.7R164A161-R164 WeakPolarHBondContact O-CG 3.39Å
162A87.1Confident95.3Very high97 Ų9751.3 Ų51.380%0.80229%0.288SS*.THydrogen-bonded Turntrans-75.6-43.8178.100000110.7D160 R164D160-A162 VanDerWaalsContact C-N 3.3Å; D160-A162 PolarHBondContact O-N 3.44Å; D160-A162 WeakPolarHBondContact OD1-CA 3.08Å; D160-A162 WeakPolarHBondContact OD1-CB 3.19Å; D160-A162 PolarHBondContact OD1-N 3.09Å; A162-R164 VanDerWaalsContact C-N 3.35Å
163K86.2Confident95.3Very high140 Ų14052.4 Ų52.461%0.60929%0.294SS*.THydrogen-bonded Turntrans-78.3-19.4175.6-62-178.8-166.8120.60113.3D160 G165D160-K163 HydrophobicContact CB-CB 4.03Å; D160-K163 HydrophobicContact CB-CD 4.37Å; D160-K163 HydrophobicContact CB-CG 4.34Å; D160-K163 PolarHBondContact O-N 3.01Å; D160-K163 PolarHBondContact OD1-N 3.41Å; D160-K163 WeakPolarHBondContact OD2-CD 3.33Å; D160-K163 WeakPolarHBondContact OD2-CE 3.44Å; D160-K163 VanDerWaalsContact OD2-CG 3.3Å; D160-K163 WeakPolarHBondContact OD2-CG 3.29Å; D160-K163 IonicContact OD2-NZ 3.65Å; D160-K163 PolarHBondContact OD2-NZ 3.5Å; K163-G165 PolarHBondContact O-N 3.48Å
164R87.3Confident95.3Very high58 Ų5851.8 Ų51.822%0.21929%0.291CS..THydrogen-bonded Turntrans52.941.1-168.9-60.5179.8177.8174-3.3112.4W159 D160 A161 A162 T347 H350W159-R164 HydrophobicContact CH2-CB 3.61Å; W159-R164 HydrophobicContact CH2-CG 4.28Å; W159-R164 WeakPolarHBondContact CH2-O 3.24Å; W159-R164 HydrophobicContact CZ2-CB 3.95Å; W159-R164 HydrophobicContact CZ2-CG 4.14Å; W159-R164 HydrophobicContact CZ3-CB 4.47Å; W159-R164 VanDerWaalsContact CZ3-O 3.24Å; W159-R164 WeakPolarHBondContact CZ3-O 3.24Å; D160-R164 WeakPolarHBondContact O-CA 3.36Å; D160-R164 PolarHBondContact O-N 3.14Å; A161-R164 WeakPolarHBondContact O-CG 3.39Å; A162-R164 VanDerWaalsContact C-N 3.35Å; R164-T347 PolarHBondContact NH1-O 3Å; R164-H350 HydrophobicContact CB-CB 4.04Å; R164-H350 PolarHBondContact NH1-CE1 3.15Å; R164-H350 PolarHBondContact NH1-ND1 3.32Å
165G90.3Very high95.3Very high16 Ų1648 Ų4817%0.16528%0.277CS..EExtended strand (participates in β ladder)trans-152.5-163.7-172.700000112.6D160 K163D160-G165 PolarHBondContact N-O 3Å; D160-G165 PolarHBondContact O-N 3.03Å; K163-G165 PolarHBondContact O-N 3.48Å
166L95.3Very high95.3Very high24 Ų2447.3 Ų47.313%0.12627%0.265CS..EExtended strand (participates in β ladder)trans-75.2127.6-174.8-173.872.2000110.1Y158 L168 L171 T196 P198Y158-L166 HydrophobicContact CD1-CD1 4.26Å; Y158-L166 HydrophobicContact CD2-CD1 3.75Å; Y158-L166 HydrophobicContact CE1-CD1 4.08Å; Y158-L166 HydrophobicContact CE2-CD1 3.6Å; Y158-L166 HydrophobicContact CG-CD1 4.11Å; Y158-L166 CarbonylContact O-C 3.19Å; Y158-L166 WeakPolarHBondContact O-CA 3.36Å; L166-L168 VanDerWaalsContact C-N 3.28Å; L166-L168 HydrophobicContact CD2-CB 4.14Å; L166-L168 HydrophobicContact CD2-CD1 4.06Å; L166-L168 HydrophobicContact CG-CB 4.39Å; L166-L168 PolarHBondContact O-N 3.4Å; L166-L171 HydrophobicContact CD1-CD1 4.17Å; L166-T196 HydrophobicContact CB-CG2 3.8Å; L166-P198 HydrophobicContact CD1-CG 4.36Å; L166-P198 HydrophobicContact CD2-CB 3.86Å; L166-P198 HydrophobicContact CD2-CG 3.9Å
167D97.6Very high95.3Very high30 Ų3053.8 Ų53.816%0.1629%0.293CS..  trans-84.173.4164.3-174.88.8000109.9H157 Y158 D160 T169 G170 L171H157-D167 IonicContact CD2-OD2 2.78Å; H157-D167 IonicContact CG-OD2 2.74Å; Y158-D167 PolarHBondContact O-N 3.34Å; D160-D167 HydrophobicContact CB-CB 4.11Å; D167-T169 VanDerWaalsContact C-N 3.27Å; D167-T169 PolarHBondContact O-N 2.97Å; D167-G170 PolarHBondContact OD1-N 3.42Å; D167-L171 VanDerWaalsContact O-CB 3.27Å; D167-L171 WeakPolarHBondContact O-CB 3.47Å; D167-L171 PolarHBondContact O-N 2.95Å
168L98.3Very high95.3Very high40 Ų4049.1 Ų49.121%0.20927%0.272CS..Hα-helixtrans-61.7-38.3-179-177.668.5000111.7L166 L171 L172 E202 I206L166-L168 VanDerWaalsContact C-N 3.28Å; L166-L168 HydrophobicContact CD2-CB 4.14Å; L166-L168 HydrophobicContact CD2-CD1 4.06Å; L166-L168 HydrophobicContact CG-CB 4.39Å; L166-L168 PolarHBondContact O-N 3.4Å; L168-L171 PolarHBondContact O-N 2.91Å; L168-L172 HydrophobicContact CD1-CD1 4.2Å; L168-L172 HydrophobicContact CD1-CG 4.16Å; L168-L172 HydrophobicContact CD2-CD1 4.42Å; L168-L172 HydrophobicContact CG-CD1 3.92Å; L168-L172 HydrophobicContact CG-CG 4.25Å; L168-L172 WeakPolarHBondContact O-CB 3.27Å; L168-L172 VanDerWaalsContact O-CG 3.25Å; L168-L172 WeakPolarHBondContact O-CG 3.32Å; L168-L172 PolarHBondContact O-N 3.13Å; L168-E202 HydrophobicContact CD1-CB 4.01Å; L168-E202 HydrophobicContact CD1-CG 4.19Å; L168-E202 HydrophobicContact CD2-CB 4.37Å; L168-E202 HydrophobicContact CD2-CG 3.69Å; L168-I206 HydrophobicContact CD1-CD1 4.32Å; L168-I206 HydrophobicContact CD1-CG1 4.3Å
169T98.4Very high95.4Very high110 Ų11051.7 Ų51.768%0.67529%0.289SS*.Hα-helixtrans-65.5-48.2-178-55.30000111.1D167 L171 L172 D173D167-T169 VanDerWaalsContact C-N 3.27Å; D167-T169 PolarHBondContact O-N 2.97Å; T169-L171 VanDerWaalsContact C-N 3.34Å; T169-L172 PolarHBondContact O-N 3.09Å; T169-D173 WeakPolarHBondContact O-CB 3.47Å; T169-D173 PolarHBondContact O-N 2.95Å
170G98.6Very high95.5Very high11 Ų1153.5 Ų53.511%0.11330%0.3CS..Hα-helixtrans-61.9-42.4174.500000112D167 L172 D173 D174D167-G170 PolarHBondContact OD1-N 3.42Å; G170-L172 PolarHBondContact O-N 3.22Å; G170-D173 PolarHBondContact O-N 3.34Å; G170-D174 PolarHBondContact O-N 3.4Å
171L98.8Very high95.8Very high6 Ų655 Ų553%0.03131%0.306CS..Hα-helixtrans-57.2-51177.7-171.5167.2000111.1Y156 H157 Y158 L166 D167 L168 T169 D173 D174 L175 I206Y156-L171 HydrophobicContact CD2-CG 4.06Å; Y156-L171 HydrophobicContact CE2-CD1 4.17Å; Y156-L171 HydrophobicContact CE2-CG 4.1Å; H157-L171 WeakPolarHBondContact O-CA 3.31Å; H157-L171 VanDerWaalsContact O-CB 3.29Å; H157-L171 WeakPolarHBondContact O-CB 3.44Å; Y158-L171 HydrophobicContact CD2-CD1 3.92Å; Y158-L171 HydrophobicContact CE2-CD1 4.28Å; L166-L171 HydrophobicContact CD1-CD1 4.17Å; D167-L171 VanDerWaalsContact O-CB 3.27Å; D167-L171 WeakPolarHBondContact O-CB 3.47Å; D167-L171 PolarHBondContact O-N 2.95Å; L168-L171 PolarHBondContact O-N 2.91Å; T169-L171 VanDerWaalsContact C-N 3.34Å; L171-D173 VanDerWaalsContact C-N 3.35Å; L171-D173 PolarHBondContact O-N 2.83Å; L171-D174 PolarHBondContact O-N 2.68Å; L171-L175 HydrophobicContact CD2-CD1 3.42Å; L171-L175 VanDerWaalsContact CD2-CD1 3.42Å; L171-L175 HydrophobicContact CD2-CG 3.96Å; L171-L175 WeakPolarHBondContact O-CG 3.36Å; L171-L175 PolarHBondContact O-N 2.9Å; L171-I206 HydrophobicContact CD1-CD1 4.01Å; L171-I206 HydrophobicContact CD2-CD1 4.06Å; L171-I206 HydrophobicContact CD2-CG1 3.81Å; L171-I206 HydrophobicContact CD2-CG2 4.5Å
172L98.9Very high96.3Very high35 Ų3551.6 Ų51.618%0.18328%0.278CS..Hα-helixtrans-64.4-39.1179.8-66.4174.8000111.7L168 T169 G170 D174 L175 E176 T205 I206 V209L168-L172 HydrophobicContact CD1-CD1 4.2Å; L168-L172 HydrophobicContact CD1-CG 4.16Å; L168-L172 HydrophobicContact CD2-CD1 4.42Å; L168-L172 HydrophobicContact CG-CD1 3.92Å; L168-L172 HydrophobicContact CG-CG 4.25Å; L168-L172 WeakPolarHBondContact O-CB 3.27Å; L168-L172 VanDerWaalsContact O-CG 3.25Å; L168-L172 WeakPolarHBondContact O-CG 3.32Å; L168-L172 PolarHBondContact O-N 3.13Å; T169-L172 PolarHBondContact O-N 3.09Å; G170-L172 PolarHBondContact O-N 3.22Å; L172-D174 PolarHBondContact O-N 3.39Å; L172-L175 HydrophobicContact CD2-CD1 4.31Å; L172-L175 PolarHBondContact O-N 2.89Å; L172-E176 WeakPolarHBondContact O-CB 3.15Å; L172-E176 WeakPolarHBondContact O-CG 3.25Å; L172-E176 PolarHBondContact O-N 3.16Å; L172-T205 HydrophobicContact CD1-CG2 3.75Å; L172-T205 HydrophobicContact CD2-CG2 3.93Å; L172-I206 HydrophobicContact CD2-CG1 4.16Å; L172-V209 HydrophobicContact CD2-CG2 4.03Å
173D98.8Very high96.9Very high67 Ų6747 Ų4736%0.35824%0.239SC..Hα-helixtrans-61.6-41.5175.7-178.966.4000112.3T169 G170 L171 E176 K177T169-D173 WeakPolarHBondContact O-CB 3.47Å; T169-D173 PolarHBondContact O-N 2.95Å; G170-D173 PolarHBondContact O-N 3.34Å; L171-D173 VanDerWaalsContact C-N 3.35Å; L171-D173 PolarHBondContact O-N 2.83Å; D173-E176 PolarHBondContact O-N 3.37Å; D173-K177 WeakPolarHBondContact O-CG 3.21Å; D173-K177 PolarHBondContact O-N 3.08Å; D173-K177 WeakPolarHBondContact OD1-CE 3.34Å; D173-K177 IonicContact OD1-NZ 3.96Å; D173-K177 PolarHBondContact OD1-NZ 3.49Å; D173-K177 WeakPolarHBondContact OD2-CE 3.24Å; D173-K177 IonicContact OD2-NZ 3.47Å; D173-K177 PolarHBondContact OD2-NZ 3.3Å
174D98.8Very high97.5Very high26 Ų2640.4 Ų40.414%0.13921%0.211CC..Hα-helixtrans-66-40.3175.3-73.4-34.2000112.2Y156 H157 G170 L171 L172 E176 K177 A178Y156-D174 VanDerWaalsContact CA-OD2 3.3Å; Y156-D174 WeakPolarHBondContact CA-OD2 3.38Å; H157-D174 IonicContact CE1-OD2 3.18Å; H157-D174 IonicContact CG-OD2 3.83Å; H157-D174 PolarHBondContact N-OD2 3.14Å; H157-D174 IonicContact ND1-OD1 3.08Å; H157-D174 IonicContact ND1-OD2 3.67Å; H157-D174 PolarHBondContact ND1-OD2 2.85Å; G170-D174 PolarHBondContact O-N 3.4Å; L171-D174 PolarHBondContact O-N 2.68Å; L172-D174 PolarHBondContact O-N 3.39Å; D174-E176 VanDerWaalsContact C-N 3.28Å; D174-E176 PolarHBondContact O-N 2.96Å; D174-K177 PolarHBondContact O-N 2.85Å; D174-A178 WeakPolarHBondContact O-CB 3.3Å; D174-A178 PolarHBondContact O-N 2.57Å
175L98.8Very high98Very high2 Ų237.6 Ų37.61%0.0120%0.2CC..Hα-helixtrans-62.3-36.2173.7-68175.3000111.8L171 L172 K177 F184 I206 V209 M210 R213 L215L171-L175 HydrophobicContact CD2-CD1 3.42Å; L171-L175 VanDerWaalsContact CD2-CD1 3.42Å; L171-L175 HydrophobicContact CD2-CG 3.96Å; L171-L175 WeakPolarHBondContact O-CG 3.36Å; L171-L175 PolarHBondContact O-N 2.9Å; L172-L175 HydrophobicContact CD2-CD1 4.31Å; L172-L175 PolarHBondContact O-N 2.89Å; L175-K177 VanDerWaalsContact C-N 3.35Å; L175-F184 HydrophobicContact CD2-CD1 3.64Å; L175-F184 HydrophobicContact CD2-CD2 4.26Å; L175-F184 HydrophobicContact CD2-CE1 3.36Å; L175-F184 HydrophobicContact CD2-CE2 4.02Å; L175-F184 HydrophobicContact CD2-CG 4.08Å; L175-F184 HydrophobicContact CD2-CZ 3.58Å; L175-F184 HydrophobicContact CG-CE1 4.37Å; L175-I206 HydrophobicContact CD1-CG2 3.99Å; L175-V209 HydrophobicContact CB-CB 4.41Å; L175-V209 HydrophobicContact CB-CG1 3.58Å; L175-V209 HydrophobicContact CD1-CB 4.4Å; L175-V209 HydrophobicContact CD1-CG1 4.43Å; L175-M210 HydrophobicContact CD1-CG 4.12Å; L175-M210 HydrophobicContact CD2-CG 3.81Å; L175-M210 HydrophobicContact CD2-SD 4.38Å; L175-R213 PolarHBondContact O-NH1 2.91Å; L175-L215 HydrophobicContact CB-CD1 4.18Å; L175-L215 HydrophobicContact CD2-CD1 3.62Å
176E98.6Very high98.4Very high78 Ų7837.2 Ų37.236%0.36419%0.194SC..Hα-helixtrans-74-23.5177.9-69.7-80.1-13200113.6L172 D173 D174 V209 R212 R213L172-E176 WeakPolarHBondContact O-CB 3.15Å; L172-E176 WeakPolarHBondContact O-CG 3.25Å; L172-E176 PolarHBondContact O-N 3.16Å; D173-E176 PolarHBondContact O-N 3.37Å; D174-E176 VanDerWaalsContact C-N 3.28Å; D174-E176 PolarHBondContact O-N 2.96Å; E176-V209 HydrophobicContact CG-CG1 3.97Å; E176-R212 IonicContact OE1-CZ 3.39Å; E176-R212 IonicContact OE1-NH1 2.75Å; E176-R212 IonicContact OE1-NH2 2.65Å; E176-R212 PolarHBondContact OE1-NH2 3.45Å; E176-R212 IonicContact OE2-CZ 3.22Å; E176-R212 IonicContact OE2-NH2 3.6Å; E176-R212 PolarHBondContact OE2-NH2 2.76Å; E176-R213 VanDerWaalsContact O-CZ 3.26Å; E176-R213 PolarHBondContact O-NH1 3.46Å
177K98.6Very high98.6Very high139 Ų13936.4 Ų36.460%0.60419%0.19SC*.Hα-helixtrans-97.7-20.3178.1-70.8170.5-178165.70113.4D173 D174 L175D173-K177 WeakPolarHBondContact O-CG 3.21Å; D173-K177 PolarHBondContact O-N 3.08Å; D173-K177 WeakPolarHBondContact OD1-CE 3.34Å; D173-K177 IonicContact OD1-NZ 3.96Å; D173-K177 PolarHBondContact OD1-NZ 3.49Å; D173-K177 WeakPolarHBondContact OD2-CE 3.24Å; D173-K177 IonicContact OD2-NZ 3.47Å; D173-K177 PolarHBondContact OD2-NZ 3.3Å; D174-K177 PolarHBondContact O-N 2.85Å; L175-K177 VanDerWaalsContact C-N 3.35Å
178A98.7Very high98.6Very high0 Ų035.2 Ų35.20%018%0.184CC..SBendtrans-56.9137.8178.600000111.1Y132 D174 F184 R213 L215Y132-A178 HydrophobicContact CE2-CB 3.87Å; D174-A178 WeakPolarHBondContact O-CB 3.3Å; D174-A178 PolarHBondContact O-N 2.57Å; A178-F184 HydrophobicContact CB-CE2 3.78Å; A178-F184 HydrophobicContact CB-CZ 3.74Å; A178-R213 VanDerWaalsContact O-CZ 3.24Å; A178-R213 PolarHBondContact O-NH1 2.75Å; A178-R213 PolarHBondContact O-NH2 2.84Å; A178-L215 HydrophobicContact CB-CD1 4.38Å; A178-L215 HydrophobicContact CB-CD2 4.08Å
179P98.3Very high98.5Very high58 Ų5833.7 Ų33.738%0.37718%0.177SC..PPolyproline II helixtrans-56.2146.3169.4-26.136000111.3P130 S182 L215P130-P179 HydrophobicContact CG-CG 4.2Å; P179-S182 WeakPolarHBondContact CD-OG 3.41Å; P179-S182 WeakPolarHBondContact O-CB 3.43Å; P179-S182 PolarHBondContact O-N 2.89Å; P179-S182 VanDerWaalsContact O-N 3.16Å; P179-S182 PolarHBondContact O-OG 3.24Å; P179-L215 WeakPolarHBondContact O-CD2 3.25Å
180E98.1Very high98.4Very high86 Ų8628.6 Ų28.640%0.40215%0.146SC..THydrogen-bonded Turntrans-54.9148172-62.7-164.616100110.1S182 R213 K214E180-S182 PolarHBondContact O-N 2.86Å; E180-R213 WeakPolarHBondContact CA-O 3.46Å; E180-K214 IonicContact OE1-NZ 2.74Å; E180-K214 PolarHBondContact OE1-NZ 3.31Å; E180-K214 IonicContact OE2-NZ 3.29Å; E180-K214 PolarHBondContact OE2-NZ 2.9Å
181H97.9Very high98.4Very high61 Ų6128.1 Ų28.128%0.28214%0.141SC..THydrogen-bonded Turntrans64.417.2-175.6-49.2-74.4000114.6Y121 T129 K214Y121-H181 HydrophobicContact CE1-CB 3.98Å; Y121-H181 VanDerWaalsContact CE1-O 3.23Å; Y121-H181 WeakPolarHBondContact CE1-O 3.05Å; T129-H181 WeakPolarHBondContact CG2-O 3.4Å; H181-K214 WeakPolarHBondContact CA-O 3.42Å; H181-K214 PolarHBondContact N-O 2.65Å
182S98.8Very high98.2Very high0 Ų028.4 Ų28.40%014%0.142CC..  trans-68.3145.6166.3-57.60000110.7P179 E180 F216P179-S182 WeakPolarHBondContact CD-OG 3.41Å; P179-S182 WeakPolarHBondContact O-CB 3.43Å; P179-S182 PolarHBondContact O-N 2.89Å; P179-S182 VanDerWaalsContact O-N 3.16Å; P179-S182 PolarHBondContact O-OG 3.24Å; E180-S182 PolarHBondContact O-N 2.86Å; S182-F216 PolarHBondContact O-N 3.17Å
183I98.9Very high98Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-93.1127.5179.6-64.6158.6000108.6L117 Y121 T129 P130 V131 Y132 F150 I185 F216 F218L117-I183 HydrophobicContact CB-CD1 4.03Å; L117-I183 HydrophobicContact CD1-CD1 4.02Å; L117-I183 HydrophobicContact CD1-CG1 4.47Å; L117-I183 HydrophobicContact CD1-CG2 4.25Å; L117-I183 HydrophobicContact CG-CD1 4.46Å; Y121-I183 HydrophobicContact CD1-CD1 4.15Å; Y121-I183 HydrophobicContact CD1-CG1 4.2Å; Y121-I183 HydrophobicContact CE1-CG1 4.19Å; T129-I183 HydrophobicContact CG2-CD1 3.94Å; T129-I183 HydrophobicContact CG2-CG1 4.19Å; P130-I183 PolarHBondContact O-N 3.4Å; V131-I183 CarbonylContact C-O 2.92Å; V131-I183 WeakPolarHBondContact CA-O 3.49Å; V131-I183 HydrophobicContact CG1-CG2 4.48Å; V131-I183 HydrophobicContact CG2-CB 4.32Å; V131-I183 HydrophobicContact CG2-CD1 4.34Å; Y132-I183 PolarHBondContact N-O 3.02Å; F150-I183 HydrophobicContact CE1-CD1 3.84Å; F150-I183 HydrophobicContact CZ-CD1 3.87Å; I183-I185 HydrophobicContact CG2-CD1 3.91Å; I183-F216 HydrophobicContact CG1-CB 4.25Å; I183-F216 HydrophobicContact CG1-CD1 4.33Å; I183-F216 HydrophobicContact CG2-CD1 4.28Å; I183-F218 HydrophobicContact CG2-CB 4.43Å
184F98.9Very high97.7Very high1 Ų124 Ų240%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-113.6122.1177.8-84-100.1000110.7Y132 Y156 L175 A178 L186 M210 L215 F216 F218Y132-F184 VanDerWaalsContact CB-CD1 3.48Å; Y132-F184 AromaticContact CD1-CE1 3.96Å; Y132-F184 HydrophobicContact CD1-CE1 3.96Å; Y132-F184 AromaticContact CD1-CZ 3.81Å; Y132-F184 HydrophobicContact CD1-CZ 3.81Å; Y132-F184 HydrophobicContact CD2-CD2 4.22Å; Y132-F184 HydrophobicContact CD2-CE1 4.19Å; Y132-F184 AromaticContact CD2-CE2 3.54Å; Y132-F184 HydrophobicContact CD2-CE2 3.54Å; Y132-F184 AromaticContact CD2-CZ 3.52Å; Y132-F184 HydrophobicContact CD2-CZ 3.52Å; Y132-F184 HydrophobicContact CE1-CZ 4.3Å; Y132-F184 HydrophobicContact CE2-CE2 4.13Å; Y132-F184 HydrophobicContact CE2-CZ 4.06Å; Y132-F184 HydrophobicContact CG-CD1 4.21Å; Y132-F184 HydrophobicContact CG-CD2 4.42Å; Y132-F184 AromaticContact CG-CE1 3.59Å; Y132-F184 HydrophobicContact CG-CE1 3.59Å; Y132-F184 AromaticContact CG-CE2 3.83Å; Y132-F184 HydrophobicContact CG-CE2 3.83Å; Y132-F184 AromaticContact CG-CZ 3.36Å; Y132-F184 HydrophobicContact CG-CZ 3.36Å; Y156-F184 HydrophobicContact CD1-CD1 4.02Å; Y156-F184 HydrophobicContact CD1-CE1 4.09Å; Y156-F184 HydrophobicContact CE1-CD1 4.17Å; Y156-F184 HydrophobicContact CG-CD1 4.46Å; Y156-F184 HydrophobicContact CG-CE1 4.19Å; L175-F184 HydrophobicContact CD2-CD1 3.64Å; L175-F184 HydrophobicContact CD2-CD2 4.26Å; L175-F184 HydrophobicContact CD2-CE1 3.36Å; L175-F184 HydrophobicContact CD2-CE2 4.02Å; L175-F184 HydrophobicContact CD2-CG 4.08Å; L175-F184 HydrophobicContact CD2-CZ 3.58Å; L175-F184 HydrophobicContact CG-CE1 4.37Å; A178-F184 HydrophobicContact CB-CE2 3.78Å; A178-F184 HydrophobicContact CB-CZ 3.74Å; F184-L186 HydrophobicContact CB-CD2 4.32Å; F184-L186 HydrophobicContact CB-CG 4.45Å; F184-M210 HydrophobicContact CB-CE 3.89Å; F184-M210 HydrophobicContact CG-CE 4.39Å; F184-L215 HydrophobicContact CD2-CB 4.13Å; F184-L215 HydrophobicContact CD2-CD1 4.08Å; F184-L215 HydrophobicContact CD2-CG 4.48Å; F184-L215 HydrophobicContact CE2-CB 4.43Å; F184-L215 HydrophobicContact CE2-CD1 3.67Å; F184-L215 HydrophobicContact CE2-CD2 4.1Å; F184-L215 HydrophobicContact CE2-CG 4.27Å; F184-L215 HydrophobicContact CZ-CD1 4.27Å; F184-F216 PolarHBondContact N-O 2.69Å; F184-F218 PolarHBondContact O-N 3.35Å
185I98.9Very high97.5Very high0 Ų022.7 Ų22.70%011%0.112CC..EExtended strand (participates in β ladder)trans-87.1111.2174.7-46.9-49.1000108.7V131 Y132 V133 F145 Y156 I183 F218V131-I185 HydrophobicContact CG1-CD1 4.2Å; V131-I185 HydrophobicContact CG1-CG1 4.02Å; Y132-I185 PolarHBondContact O-N 3.42Å; V133-I185 HydrophobicContact CG1-CB 4.16Å; V133-I185 HydrophobicContact CG1-CG1 3.84Å; F145-I185 HydrophobicContact CD2-CG1 4.47Å; F145-I185 HydrophobicContact CE1-CD1 3.9Å; F145-I185 HydrophobicContact CE2-CD1 3.55Å; F145-I185 HydrophobicContact CE2-CG1 3.81Å; F145-I185 HydrophobicContact CZ-CD1 3.19Å; F145-I185 HydrophobicContact CZ-CG1 3.98Å; Y156-I185 PolarHBondContact OH-O 3.49Å; I183-I185 HydrophobicContact CG2-CD1 3.91Å; I185-F218 WeakPolarHBondContact CA-O 3.34Å; I185-F218 HydrophobicContact CD1-CB 3.77Å; I185-F218 HydrophobicContact CD1-CD1 4.02Å; I185-F218 HydrophobicContact CD1-CG 4.13Å
186L98.9Very high97.3Very high8 Ų823.3 Ų23.34%0.04212%0.116CC..EExtended strand (participates in β ladder)trans-110.6131-174.9-58.5176.7000109.8F184 W203 M210 P217 F218 F219 D220 F241F184-L186 HydrophobicContact CB-CD2 4.32Å; F184-L186 HydrophobicContact CB-CG 4.45Å; L186-W203 HydrophobicContact CB-CH2 4.4Å; L186-W203 HydrophobicContact CD1-CZ3 4.23Å; L186-M210 HydrophobicContact CD1-CE 4.15Å; L186-M210 HydrophobicContact CD1-SD 3.9Å; L186-P217 HydrophobicContact CD1-CB 3.91Å; L186-F218 PolarHBondContact N-O 3.07Å; L186-F219 HydrophobicContact CB-CD1 3.75Å; L186-F219 HydrophobicContact CB-CE1 3.77Å; L186-F219 HydrophobicContact CB-CG 4.4Å; L186-F219 HydrophobicContact CB-CZ 4.42Å; L186-F219 HydrophobicContact CD1-CE1 3.9Å; L186-F219 HydrophobicContact CD1-CE2 4.24Å; L186-F219 HydrophobicContact CD1-CZ 3.74Å; L186-F219 CarbonylContact O-C 3.58Å; L186-F219 VanDerWaalsContact O-CA 3.24Å; L186-F219 WeakPolarHBondContact O-CA 3.25Å; L186-D220 PolarHBondContact O-N 3.18Å; L186-F241 HydrophobicContact CD1-CE1 4.21Å; L186-F241 HydrophobicContact CD1-CZ 4.2Å
187H98.8Very high97.1Very high7 Ų721.1 Ų21.13%0.03211%0.107CC..EExtended strand (participates in β ladder)trans-77.9126.7169.4-66.2-119.8000107.7T137 H141 C189 H191 N192T137-H187 PolarHBondContact OG1-NE2 3.46Å; H141-H187 AromaticContact CE1-CE1 3.75Å; H141-H187 AromaticContact CE1-NE2 3.47Å; H141-H187 PolarHBondContact CE1-NE2 3.22Å; H141-H187 AromaticContact ND1-NE2 3.9Å; H187-C189 VanDerWaalsContact C-N 3.34Å; H187-C189 PolarHBondContact O-N 3.38Å; H187-H191 HydrophobicContact CB-CB 4.36Å; H187-H191 AromaticContact CD2-CD2 3.45Å; H187-H191 PolarHBondContact CD2-CD2 3.49Å; H187-H191 VanDerWaalsContact CD2-CD2 3.45Å; H187-H191 AromaticContact CD2-NE2 3.77Å; H187-H191 AromaticContact CG-CD2 3.58Å; H187-H191 AromaticContact NE2-CD2 3.85Å; H187-H191 AromaticContact NE2-NE2 3.79Å; H187-N192 PolarHBondContact CE1-O 3.28Å; H187-N192 VanDerWaalsContact CE1-O 3.25Å; H187-N192 PolarHBondContact ND1-N 2.96Å
188A97.9Very high97Very high5 Ų515 Ų154%0.0418%0.081CC..SBendtrans-64.8-40.6-177.600000112.3F219 D220 I238A188-F219 HydrophobicContact CB-CD1 4.24Å; A188-D220 PolarHBondContact N-O 2.99Å; A188-I238 HydrophobicContact CB-CD1 3.63Å; A188-I238 HydrophobicContact CB-CG1 4.06Å
189C97.1Very high97Very high8 Ų818.8 Ų18.85%0.05410%0.104CC..SBendtrans-165.1170.4173.568.20000109.7H187 H191 D197 A227 D234H187-C189 VanDerWaalsContact C-N 3.34Å; H187-C189 PolarHBondContact O-N 3.38Å; C189-H191 PolarHBondContact O-N 2.67Å; C189-D197 WeakPolarHBondContact CA-OD2 3.44Å; C189-A227 HydrophobicContact CB-CB 4.35Å; C189-D234 HydrophobicContact CB-CB 4.37Å
190A96.4Very high96.9Very high3 Ų320.3 Ų20.33%0.02511%0.107CC..SBendtrans45.858.7-177.100000112.2N192 D197 Y223 A227A190-N192 PolarHBondContact O-N 3.38Å; A190-D197 VanDerWaalsContact N-CG 3.25Å; A190-D197 PolarHBondContact N-OD1 2.74Å; A190-D197 PolarHBondContact N-OD2 3.08Å; A190-Y223 HydrophobicContact CB-CD2 4.02Å; A190-Y223 HydrophobicContact CB-CG 3.93Å; A190-A227 HydrophobicContact CB-CB 3.68Å
191H97.6Very high97Very high1 Ų121.6 Ų21.61%0.00511%0.113CC..  trans-44.1127-178.5-179.6-83.8000112.1S134 P136 Y158 H187 C189 P193 T194 G195 T196 D197S134-H191 PolarHBondContact OG-NE2 3.32Å; P136-H191 PolarHBondContact O-CE1 3.17Å; P136-H191 PolarHBondContact O-NE2 3.19Å; Y158-H191 AromaticContact CD1-CD2 3.85Å; Y158-H191 AromaticContact CD1-CE1 3.84Å; Y158-H191 AromaticContact CD1-NE2 3.63Å; Y158-H191 HydrophobicContact CE1-CB 3.97Å; Y158-H191 AromaticContact CE1-CD2 3.25Å; Y158-H191 WeakPolarHBondContact CE1-CD2 3.37Å; Y158-H191 AromaticContact CE1-CE1 3.81Å; Y158-H191 AromaticContact CE1-CG 3.38Å; Y158-H191 AromaticContact CE1-ND1 3.77Å; Y158-H191 AromaticContact CE1-NE2 3.54Å; Y158-H191 AromaticContact CZ-CD2 3.38Å; Y158-H191 AromaticContact CZ-CG 3.79Å; Y158-H191 AromaticContact CZ-NE2 3.99Å; H187-H191 HydrophobicContact CB-CB 4.36Å; H187-H191 AromaticContact CD2-CD2 3.45Å; H187-H191 PolarHBondContact CD2-CD2 3.49Å; H187-H191 VanDerWaalsContact CD2-CD2 3.45Å; H187-H191 AromaticContact CD2-NE2 3.77Å; H187-H191 AromaticContact CG-CD2 3.58Å; H187-H191 AromaticContact NE2-CD2 3.85Å; H187-H191 AromaticContact NE2-NE2 3.79Å; C189-H191 PolarHBondContact O-N 2.67Å; H191-P193 CarbonylContact O-C 3.36Å; H191-T194 PolarHBondContact ND1-N 2.96Å; H191-T194 PolarHBondContact ND1-OG1 3.43Å; H191-T194 PolarHBondContact O-N 3.46Å; H191-T194 VanDerWaalsContact O-N 3.17Å; H191-G195 WeakPolarHBondContact O-CA 3.35Å; H191-G195 PolarHBondContact O-N 3.19Å; H191-T196 WeakPolarHBondContact CB-O 3.43Å; H191-D197 PolarHBondContact N-OD1 2.72Å
192N94.8Very high97Very high11 Ų1121 Ų216%0.05911%0.11CC..THydrogen-bonded Turntrans-101118175.11795.2000108.6T137 W138 H187 A190 Y223 F358T137-N192 CarbonylContact C-O 3.22Å; W138-N192 HydrophobicContact CB-CB 4.45Å; W138-N192 PolarHBondContact N-O 2.97Å; H187-N192 PolarHBondContact CE1-O 3.28Å; H187-N192 VanDerWaalsContact CE1-O 3.25Å; H187-N192 PolarHBondContact ND1-N 2.96Å; A190-N192 PolarHBondContact O-N 3.38Å; N192-Y223 HydrophobicContact CB-CE2 4.37Å; N192-F358 HydrophobicContact CB-CD2 4.2Å; N192-F358 HydrophobicContact CB-CE2 4.24Å
193P93.6Very high97Very high9 Ų921.6 Ų21.66%0.05811%0.112CC..THydrogen-bonded Turncis-103.6-2.319.438.5-38000116.8P136 H191 F360 R384P136-P193 HydrophobicContact CB-CG 4.11Å; P136-P193 HydrophobicContact CG-CG 3.78Å; H191-P193 CarbonylContact O-C 3.36Å; P193-F360 HydrophobicContact CB-CD2 4.28Å; P193-F360 HydrophobicContact CB-CE2 3.94Å; P193-F360 HydrophobicContact CB-CZ 4.32Å; P193-F360 HydrophobicContact CG-CD2 4.44Å; P193-F360 HydrophobicContact CG-CE1 4.2Å; P193-F360 HydrophobicContact CG-CE2 3.87Å; P193-F360 HydrophobicContact CG-CZ 3.73Å; P193-R384 HydrophobicContact CB-CB 4.4Å; P193-R384 HydrophobicContact CB-CG 3.99Å
194T93.9Very high97Very high0 Ų025 Ų250%013%0.127CC..THydrogen-bonded Turntrans-80.6-30.8-161.767.40000113.9P136 W159 H191 T196 Q354 F360P136-T194 HydrophobicContact CG-CG2 3.76Å; W159-T194 HydrophobicContact CB-CG2 4.17Å; W159-T194 HydrophobicContact CD2-CG2 4.1Å; W159-T194 HydrophobicContact CE3-CG2 3.83Å; W159-T194 HydrophobicContact CG-CG2 4.27Å; H191-T194 PolarHBondContact ND1-N 2.96Å; H191-T194 PolarHBondContact ND1-OG1 3.43Å; H191-T194 PolarHBondContact O-N 3.46Å; H191-T194 VanDerWaalsContact O-N 3.17Å; T194-T196 PolarHBondContact O-N 2.74Å; T194-T196 WeakPolarHBondContact OG1-CB 3.37Å; T194-T196 PolarHBondContact OG1-N 3.28Å; T194-Q354 WeakPolarHBondContact O-CG 3.46Å; T194-Q354 PolarHBondContact O-NE2 3.04Å; T194-Q354 PolarHBondContact O-OE1 3.2Å; T194-F360 HydrophobicContact CG2-CD1 3.9Å; T194-F360 HydrophobicContact CG2-CE1 4.24Å
195G93.6Very high97Very high0 Ų027.7 Ų27.70%014%0.143CC..  trans727.3-166.400000113.2H191 Q354 I355H191-G195 WeakPolarHBondContact O-CA 3.35Å; H191-G195 PolarHBondContact O-N 3.19Å; G195-Q354 CarbonylContact O-C 3.55Å; G195-Q354 WeakPolarHBondContact O-CA 3.3Å; G195-Q354 WeakPolarHBondContact O-CB 3.42Å; G195-I355 PolarHBondContact O-N 3.05Å
196T94.1Very high97Very high14 Ų1427.8 Ų27.89%0.08614%0.144CC..  trans-93.1121.5179.9-62.80000109.9Y158 W159 L166 H191 T194Y158-T196 VanDerWaalsContact CE1-O 3.27Å; Y158-T196 WeakPolarHBondContact CE1-O 3.39Å; Y158-T196 PolarHBondContact OH-O 3.49Å; W159-T196 WeakPolarHBondContact CZ3-OG1 3.35Å; L166-T196 HydrophobicContact CB-CG2 3.8Å; H191-T196 WeakPolarHBondContact CB-O 3.43Å; T194-T196 PolarHBondContact O-N 2.74Å; T194-T196 WeakPolarHBondContact OG1-CB 3.37Å; T194-T196 PolarHBondContact OG1-N 3.28Å
197D95.4Very high97Very high33 Ų3327.5 Ų27.518%0.17614%0.143CC..  trans-116.6145.2176.5-67-15.8000110.4C189 A190 H191C189-D197 WeakPolarHBondContact CA-OD2 3.44Å; A190-D197 VanDerWaalsContact N-CG 3.25Å; A190-D197 PolarHBondContact N-OD1 2.74Å; A190-D197 PolarHBondContact N-OD2 3.08Å; H191-D197 PolarHBondContact N-OD1 2.72Å
198P97.3Very high97Very high9 Ų933.6 Ų33.66%0.05817%0.171CC..  trans-62.1144168.2-16.429000111.2L166 E202 W203 I206L166-P198 HydrophobicContact CD1-CG 4.36Å; L166-P198 HydrophobicContact CD2-CB 3.86Å; L166-P198 HydrophobicContact CD2-CG 3.9Å; P198-E202 WeakPolarHBondContact CA-OE2 3.46Å; P198-E202 HydrophobicContact CB-CB 3.85Å; P198-W203 HydrophobicContact CB-CD2 4Å; P198-W203 HydrophobicContact CB-CG 4.01Å; P198-W203 HydrophobicContact CB-CZ2 4.41Å; P198-W203 HydrophobicContact CG-CD2 4.04Å; P198-W203 HydrophobicContact CG-CE3 4.49Å; P198-W203 HydrophobicContact CG-CH2 4.18Å; P198-W203 HydrophobicContact CG-CZ2 3.68Å; P198-W203 PolarHBondContact O-NE1 3.42Å; P198-W203 VanDerWaalsContact O-NE1 3.16Å; P198-I206 HydrophobicContact CB-CD1 4.11Å; P198-I206 HydrophobicContact CG-CD1 3.95Å
199T96.9Very high97Very high80 Ų8033.9 Ų33.949%0.49117%0.173SC..  trans-65.6167.3166.564.80000110.8E201 E202 W203T199-E201 VanDerWaalsContact C-N 3.31Å; T199-E201 PolarHBondContact O-N 3.27Å; T199-E202 WeakPolarHBondContact CB-OE2 3.14Å; T199-E202 WeakPolarHBondContact CG2-OE2 3.39Å; T199-E202 PolarHBondContact N-OE2 3.18Å; T199-E202 PolarHBondContact O-N 2.75Å; T199-E202 VanDerWaalsContact OG1-CD 3.29Å; T199-E202 WeakPolarHBondContact OG1-CG 3.43Å; T199-E202 PolarHBondContact OG1-N 2.93Å; T199-E202 PolarHBondContact OG1-OE2 3.24Å; T199-W203 VanDerWaalsContact O-CD1 3.25Å; T199-W203 PolarHBondContact O-N 3.05Å
200Q97.9Very high97.1Very high91 Ų9133.5 Ų33.543%0.42517%0.17SC..Hα-helixtrans-59.8-39.8178.1-67-172.7-5.200112.5W203 K204 W236Q200-W203 PolarHBondContact O-N 2.85Å; Q200-K204 WeakPolarHBondContact O-CG 3.29Å; Q200-K204 PolarHBondContact O-N 3.25Å; Q200-W236 HydrophobicContact CB-CD2 4.35Å; Q200-W236 HydrophobicContact CB-CE3 4.17Å; Q200-W236 HydrophobicContact CB-CH2 3.65Å; Q200-W236 HydrophobicContact CB-CZ2 3.8Å; Q200-W236 HydrophobicContact CB-CZ3 3.84Å; Q200-W236 VanDerWaalsContact CD-CE2 3.48Å; Q200-W236 HydrophobicContact CG-CD2 3.67Å; Q200-W236 HydrophobicContact CG-CE3 3.76Å; Q200-W236 HydrophobicContact CG-CG 4.29Å; Q200-W236 HydrophobicContact CG-CH2 4.06Å; Q200-W236 HydrophobicContact CG-CZ2 3.94Å; Q200-W236 HydrophobicContact CG-CZ3 3.97Å; Q200-W236 WeakPolarHBondContact O-CH2 3.37Å
201E98.5Very high97.2Very high113 Ų11338.8 Ų38.853%0.52819%0.192SC..Hα-helixtrans-68.8-37.1178.1-59.8-50.5132.400112.3T199 K204 T205T199-E201 VanDerWaalsContact C-N 3.31Å; T199-E201 PolarHBondContact O-N 3.27Å; E201-K204 VanDerWaalsContact CD-NZ 3.25Å; E201-K204 WeakPolarHBondContact O-CB 3.35Å; E201-K204 PolarHBondContact O-N 2.92Å; E201-K204 IonicContact OE1-NZ 3.41Å; E201-K204 PolarHBondContact OE1-NZ 3.42Å; E201-K204 WeakPolarHBondContact OE2-CD 3.22Å; E201-K204 IonicContact OE2-NZ 2.58Å; E201-K204 PolarHBondContact OE2-NZ 3.36Å; E201-T205 PolarHBondContact O-N 3.36Å; E201-T205 VanDerWaalsContact O-N 3.12Å; E201-T205 PolarHBondContact O-OG1 3.48Å
202E98.6Very high97.2Very high47 Ų4745.3 Ų45.322%0.2222%0.217CC..Hα-helixtrans-66.3-42.9174.2-67.9170.3141.300111L168 P198 T199 K204 T205 I206L168-E202 HydrophobicContact CD1-CB 4.01Å; L168-E202 HydrophobicContact CD1-CG 4.19Å; L168-E202 HydrophobicContact CD2-CB 4.37Å; L168-E202 HydrophobicContact CD2-CG 3.69Å; P198-E202 WeakPolarHBondContact CA-OE2 3.46Å; P198-E202 HydrophobicContact CB-CB 3.85Å; T199-E202 WeakPolarHBondContact CB-OE2 3.14Å; T199-E202 WeakPolarHBondContact CG2-OE2 3.39Å; T199-E202 PolarHBondContact N-OE2 3.18Å; T199-E202 PolarHBondContact O-N 2.75Å; T199-E202 VanDerWaalsContact OG1-CD 3.29Å; T199-E202 WeakPolarHBondContact OG1-CG 3.43Å; T199-E202 PolarHBondContact OG1-N 2.93Å; T199-E202 PolarHBondContact OG1-OE2 3.24Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 2.87Å; E202-T205 WeakPolarHBondContact O-CB 3.21Å; E202-T205 PolarHBondContact O-N 2.82Å; E202-T205 VanDerWaalsContact O-N 3.12Å; E202-I206 VanDerWaalsContact O-CG1 3.27Å; E202-I206 WeakPolarHBondContact O-CG1 3.3Å; E202-I206 PolarHBondContact O-N 3.34Å
203W98.8Very high97.4Very high13 Ų1347 Ų475%0.04922%0.223CC..Hα-helixtrans-59.7-37.3173-84.4122.4000113.2L186 P198 T199 Q200 T205 I206 A207 F219 W236 A237 F241L186-W203 HydrophobicContact CB-CH2 4.4Å; L186-W203 HydrophobicContact CD1-CZ3 4.23Å; P198-W203 HydrophobicContact CB-CD2 4Å; P198-W203 HydrophobicContact CB-CG 4.01Å; P198-W203 HydrophobicContact CB-CZ2 4.41Å; P198-W203 HydrophobicContact CG-CD2 4.04Å; P198-W203 HydrophobicContact CG-CE3 4.49Å; P198-W203 HydrophobicContact CG-CH2 4.18Å; P198-W203 HydrophobicContact CG-CZ2 3.68Å; P198-W203 PolarHBondContact O-NE1 3.42Å; P198-W203 VanDerWaalsContact O-NE1 3.16Å; T199-W203 VanDerWaalsContact O-CD1 3.25Å; T199-W203 PolarHBondContact O-N 3.05Å; Q200-W203 PolarHBondContact O-N 2.85Å; W203-T205 VanDerWaalsContact C-N 3.33Å; W203-I206 HydrophobicContact CE3-CB 4.31Å; W203-I206 HydrophobicContact CE3-CD1 3.96Å; W203-I206 HydrophobicContact CE3-CG2 4.16Å; W203-I206 HydrophobicContact CZ3-CD1 4.23Å; W203-I206 HydrophobicContact CZ3-CG2 4.2Å; W203-I206 PolarHBondContact O-N 2.63Å; W203-A207 WeakPolarHBondContact O-CB 3.27Å; W203-A207 PolarHBondContact O-N 2.98Å; W203-F219 HydrophobicContact CH2-CE1 4.28Å; W203-F219 HydrophobicContact CZ3-CE1 4.38Å; W203-W236 HydrophobicContact CB-CE3 4.44Å; W203-W236 HydrophobicContact CB-CZ3 3.65Å; W203-W236 HydrophobicContact CG-CZ3 4.32Å; W203-A237 HydrophobicContact CD2-CB 3.68Å; W203-A237 HydrophobicContact CE3-CB 4.23Å; W203-A237 HydrophobicContact CG-CB 3.93Å; W203-A237 HydrophobicContact CZ2-CB 4.07Å; W203-F241 AromaticContact CE3-CE2 3.92Å; W203-F241 HydrophobicContact CE3-CE2 3.92Å; W203-F241 HydrophobicContact CE3-CZ 4.32Å; W203-F241 HydrophobicContact CZ3-CE2 4.38Å; W203-F241 HydrophobicContact CZ3-CZ 4.47Å
204K98.8Very high97.6Very high73 Ų7351.7 Ų51.732%0.31724%0.242SC..Hα-helixtrans-60.4-45.7173.1-69.6173.1-170.2167.40111.2Q200 E201 E202 A207 E208 W236 F240Q200-K204 WeakPolarHBondContact O-CG 3.29Å; Q200-K204 PolarHBondContact O-N 3.25Å; E201-K204 VanDerWaalsContact CD-NZ 3.25Å; E201-K204 WeakPolarHBondContact O-CB 3.35Å; E201-K204 PolarHBondContact O-N 2.92Å; E201-K204 IonicContact OE1-NZ 3.41Å; E201-K204 PolarHBondContact OE1-NZ 3.42Å; E201-K204 WeakPolarHBondContact OE2-CD 3.22Å; E201-K204 IonicContact OE2-NZ 2.58Å; E201-K204 PolarHBondContact OE2-NZ 3.36Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 2.87Å; K204-A207 PolarHBondContact O-N 3.32Å; K204-E208 PolarHBondContact O-N 2.88Å; K204-W236 HydrophobicContact CG-CH2 4.04Å; K204-F240 HydrophobicContact CB-CE1 4.21Å; K204-F240 HydrophobicContact CB-CZ 4.19Å; K204-F240 HydrophobicContact CG-CE1 3.87Å; K204-F240 HydrophobicContact CG-CE2 4.06Å; K204-F240 HydrophobicContact CG-CZ 3.61Å
205T98.8Very high97.9Very high56 Ų5652 Ų5234%0.34424%0.244SC..Hα-helixtrans-63-44.4178.6-50.50000111.1L172 E201 E202 W203 A207 E208 V209L172-T205 HydrophobicContact CD1-CG2 3.75Å; L172-T205 HydrophobicContact CD2-CG2 3.93Å; E201-T205 PolarHBondContact O-N 3.36Å; E201-T205 VanDerWaalsContact O-N 3.12Å; E201-T205 PolarHBondContact O-OG1 3.48Å; E202-T205 WeakPolarHBondContact O-CB 3.21Å; E202-T205 PolarHBondContact O-N 2.82Å; E202-T205 VanDerWaalsContact O-N 3.12Å; W203-T205 VanDerWaalsContact C-N 3.33Å; T205-A207 PolarHBondContact O-N 3.21Å; T205-E208 PolarHBondContact O-N 2.97Å; T205-V209 PolarHBondContact O-N 3.28Å; T205-V209 VanDerWaalsContact O-N 3.16Å
206I98.9Very high98.1Very high2 Ų252.7 Ų52.71%0.0125%0.247CC..Hα-helixtrans-58.9-48.7175.3-68.4167.6000110.6L168 L171 L172 L175 P198 E202 W203 E208 V209 M210 F241L168-I206 HydrophobicContact CD1-CD1 4.32Å; L168-I206 HydrophobicContact CD1-CG1 4.3Å; L171-I206 HydrophobicContact CD1-CD1 4.01Å; L171-I206 HydrophobicContact CD2-CD1 4.06Å; L171-I206 HydrophobicContact CD2-CG1 3.81Å; L171-I206 HydrophobicContact CD2-CG2 4.5Å; L172-I206 HydrophobicContact CD2-CG1 4.16Å; L175-I206 HydrophobicContact CD1-CG2 3.99Å; P198-I206 HydrophobicContact CB-CD1 4.11Å; P198-I206 HydrophobicContact CG-CD1 3.95Å; E202-I206 VanDerWaalsContact O-CG1 3.27Å; E202-I206 WeakPolarHBondContact O-CG1 3.3Å; E202-I206 PolarHBondContact O-N 3.34Å; W203-I206 HydrophobicContact CE3-CB 4.31Å; W203-I206 HydrophobicContact CE3-CD1 3.96Å; W203-I206 HydrophobicContact CE3-CG2 4.16Å; W203-I206 HydrophobicContact CZ3-CD1 4.23Å; W203-I206 HydrophobicContact CZ3-CG2 4.2Å; W203-I206 PolarHBondContact O-N 2.63Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.39Å; I206-V209 PolarHBondContact O-N 2.81Å; I206-M210 HydrophobicContact CG2-CG 4.41Å; I206-M210 HydrophobicContact CG2-SD 3.96Å; I206-M210 WeakPolarHBondContact O-CB 3.5Å; I206-M210 WeakPolarHBondContact O-CG 3.23Å; I206-M210 PolarHBondContact O-N 3.42Å; I206-F241 HydrophobicContact CG2-CZ 4.13Å
207A98.9Very high98.3Very high3 Ų352.1 Ų52.13%0.02524%0.243CC..Hα-helixtrans-62.5-39179.400000112.2W203 K204 T205 M210 K211 F240 F241 F246W203-A207 WeakPolarHBondContact O-CB 3.27Å; W203-A207 PolarHBondContact O-N 2.98Å; K204-A207 PolarHBondContact O-N 3.32Å; T205-A207 PolarHBondContact O-N 3.21Å; A207-M210 PolarHBondContact O-N 3.04Å; A207-K211 VanDerWaalsContact O-CB 3.27Å; A207-K211 WeakPolarHBondContact O-CB 3.28Å; A207-K211 PolarHBondContact O-N 3.14Å; A207-F240 HydrophobicContact CB-CD1 4.12Å; A207-F240 HydrophobicContact CB-CE1 3.69Å; A207-F241 HydrophobicContact CB-CD2 4.02Å; A207-F241 HydrophobicContact CB-CE1 4.2Å; A207-F241 HydrophobicContact CB-CE2 3.61Å; A207-F241 HydrophobicContact CB-CZ 3.72Å; A207-F246 HydrophobicContact CB-CE2 4.26Å; A207-F246 WeakPolarHBondContact O-CZ 3.41Å
208E98.8Very high98.5Very high134 Ų13450.5 Ų50.563%0.62624%0.235SC*.Hα-helixtrans-59.5-50.2176.9-175.7-179.5166.300111.3K204 T205 I206 K211 R212K204-E208 PolarHBondContact O-N 2.88Å; T205-E208 PolarHBondContact O-N 2.97Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.39Å; E208-K211 PolarHBondContact O-N 3.47Å; E208-R212 WeakPolarHBondContact O-CB 3.42Å; E208-R212 PolarHBondContact O-N 3.25Å
209V98.8Very high98.6Very high11 Ų1150.1 Ų50.17%0.06723%0.232CC..Hα-helixtrans-62.7-48178-179.40000110.6L172 L175 E176 T205 I206 K211 R212 R213L172-V209 HydrophobicContact CD2-CG2 4.03Å; L175-V209 HydrophobicContact CB-CB 4.41Å; L175-V209 HydrophobicContact CB-CG1 3.58Å; L175-V209 HydrophobicContact CD1-CB 4.4Å; L175-V209 HydrophobicContact CD1-CG1 4.43Å; E176-V209 HydrophobicContact CG-CG1 3.97Å; T205-V209 PolarHBondContact O-N 3.28Å; T205-V209 VanDerWaalsContact O-N 3.16Å; I206-V209 PolarHBondContact O-N 2.81Å; V209-K211 VanDerWaalsContact C-N 3.29Å; V209-K211 PolarHBondContact O-N 3.29Å; V209-R212 PolarHBondContact O-N 3.46Å; V209-R213 HydrophobicContact CG1-CG 4.02Å; V209-R213 VanDerWaalsContact O-CB 3.31Å; V209-R213 WeakPolarHBondContact O-CB 3.37Å; V209-R213 VanDerWaalsContact O-CG 3.28Å; V209-R213 WeakPolarHBondContact O-CG 3.41Å; V209-R213 PolarHBondContact O-N 2.85Å
210M98.9Very high98.7Very high0 Ų047 Ų470%021%0.212CC..Hα-helixtrans-58.3-41.1179.1-73.8-173.372.500112.5L175 F184 L186 I206 A207 K214 L215 P217 F241 F246L175-M210 HydrophobicContact CD1-CG 4.12Å; L175-M210 HydrophobicContact CD2-CG 3.81Å; L175-M210 HydrophobicContact CD2-SD 4.38Å; F184-M210 HydrophobicContact CB-CE 3.89Å; F184-M210 HydrophobicContact CG-CE 4.39Å; L186-M210 HydrophobicContact CD1-CE 4.15Å; L186-M210 HydrophobicContact CD1-SD 3.9Å; I206-M210 HydrophobicContact CG2-CG 4.41Å; I206-M210 HydrophobicContact CG2-SD 3.96Å; I206-M210 WeakPolarHBondContact O-CB 3.5Å; I206-M210 WeakPolarHBondContact O-CG 3.23Å; I206-M210 PolarHBondContact O-N 3.42Å; A207-M210 PolarHBondContact O-N 3.04Å; M210-K214 PolarHBondContact O-N 3.28Å; M210-L215 HydrophobicContact CB-CB 4.19Å; M210-L215 HydrophobicContact CE-CB 4.01Å; M210-L215 HydrophobicContact CG-CB 4.22Å; M210-L215 HydrophobicContact CG-CD1 4.14Å; M210-L215 PolarHBondContact O-N 3.11Å; M210-P217 HydrophobicContact CE-CB 3.72Å; M210-P217 HydrophobicContact CE-CG 4.32Å; M210-F241 HydrophobicContact CE-CE1 4.29Å; M210-F241 HydrophobicContact SD-CE1 3.64Å; M210-F241 HydrophobicContact SD-CZ 3.93Å; M210-F246 HydrophobicContact CB-CE1 3.94Å; M210-F246 HydrophobicContact CB-CZ 3.91Å
211K98.6Very high98.7Very high114 Ų11442.9 Ų42.950%0.49619%0.193SC..Hα-helixtrans-66.4-48.7178.7-172169.5178.5174.70111A207 E208 V209 R213 K214 Q244 F246A207-K211 VanDerWaalsContact O-CB 3.27Å; A207-K211 WeakPolarHBondContact O-CB 3.28Å; A207-K211 PolarHBondContact O-N 3.14Å; E208-K211 PolarHBondContact O-N 3.47Å; V209-K211 VanDerWaalsContact C-N 3.29Å; V209-K211 PolarHBondContact O-N 3.29Å; K211-R213 VanDerWaalsContact C-N 3.3Å; K211-R213 PolarHBondContact O-N 3.02Å; K211-K214 PolarHBondContact O-N 3.29Å; K211-Q244 WeakPolarHBondContact CE-O 3.33Å; K211-Q244 PolarHBondContact NZ-O 2.92Å; K211-F246 HydrophobicContact CB-CE1 4.36Å; K211-F246 HydrophobicContact CB-CE2 3.98Å; K211-F246 HydrophobicContact CB-CZ 3.6Å; K211-F246 HydrophobicContact CD-CE2 4.43Å; K211-F246 HydrophobicContact CG-CE2 4.5Å; K211-F246 HydrophobicContact CG-CZ 4.43Å
212R98.1Very high98.7Very high138 Ų13837.9 Ų37.952%0.52117%0.172SC..Hα-helixtrans-61.1-39178.6-178-178.459.2-178.2-10.1112E176 E208 V209 K214E176-R212 IonicContact OE1-CZ 3.39Å; E176-R212 IonicContact OE1-NH1 2.75Å; E176-R212 IonicContact OE1-NH2 2.65Å; E176-R212 PolarHBondContact OE1-NH2 3.45Å; E176-R212 IonicContact OE2-CZ 3.22Å; E176-R212 IonicContact OE2-NH2 3.6Å; E176-R212 PolarHBondContact OE2-NH2 2.76Å; E208-R212 WeakPolarHBondContact O-CB 3.42Å; E208-R212 PolarHBondContact O-N 3.25Å; V209-R212 PolarHBondContact O-N 3.46Å; R212-K214 VanDerWaalsContact C-N 3.33Å
213R98.4Very high98.6Very high48 Ų4836.2 Ų36.218%0.18116%0.164CC..THydrogen-bonded Turntrans-88.24.5-179.4-60.2-58.1-47.4-55.110.5113.7L175 E176 A178 E180 V209 K211 L215L175-R213 PolarHBondContact O-NH1 2.91Å; E176-R213 VanDerWaalsContact O-CZ 3.26Å; E176-R213 PolarHBondContact O-NH1 3.46Å; A178-R213 VanDerWaalsContact O-CZ 3.24Å; A178-R213 PolarHBondContact O-NH1 2.75Å; A178-R213 PolarHBondContact O-NH2 2.84Å; E180-R213 WeakPolarHBondContact CA-O 3.46Å; V209-R213 HydrophobicContact CG1-CG 4.02Å; V209-R213 VanDerWaalsContact O-CB 3.31Å; V209-R213 WeakPolarHBondContact O-CB 3.37Å; V209-R213 VanDerWaalsContact O-CG 3.28Å; V209-R213 WeakPolarHBondContact O-CG 3.41Å; V209-R213 PolarHBondContact O-N 2.85Å; K211-R213 VanDerWaalsContact C-N 3.3Å; K211-R213 PolarHBondContact O-N 3.02Å; R213-L215 VanDerWaalsContact C-N 3.26Å; R213-L215 HydrophobicContact CB-CD1 4.01Å; R213-L215 HydrophobicContact CB-CD2 4.22Å; R213-L215 HydrophobicContact CB-CG 3.76Å; R213-L215 PolarHBondContact O-N 3.07Å
214K98.3Very high98.6Very high107 Ų10735.8 Ų35.847%0.46516%0.162SC..THydrogen-bonded Turntrans51.941.8-180-50.9178.7-161144.40113.1E180 H181 M210 K211 R212E180-K214 IonicContact OE1-NZ 2.74Å; E180-K214 PolarHBondContact OE1-NZ 3.31Å; E180-K214 IonicContact OE2-NZ 3.29Å; E180-K214 PolarHBondContact OE2-NZ 2.9Å; H181-K214 WeakPolarHBondContact CA-O 3.42Å; H181-K214 PolarHBondContact N-O 2.65Å; M210-K214 PolarHBondContact O-N 3.28Å; K211-K214 PolarHBondContact O-N 3.29Å; R212-K214 VanDerWaalsContact C-N 3.33Å
215L98.8Very high98.4Very high6 Ų632.3 Ų32.33%0.03115%0.147CC..  trans-85.1147.1179.6-55.5179.2000110.3L175 A178 P179 F184 M210 R213 P217L175-L215 HydrophobicContact CB-CD1 4.18Å; L175-L215 HydrophobicContact CD2-CD1 3.62Å; A178-L215 HydrophobicContact CB-CD1 4.38Å; A178-L215 HydrophobicContact CB-CD2 4.08Å; P179-L215 WeakPolarHBondContact O-CD2 3.25Å; F184-L215 HydrophobicContact CD2-CB 4.13Å; F184-L215 HydrophobicContact CD2-CD1 4.08Å; F184-L215 HydrophobicContact CD2-CG 4.48Å; F184-L215 HydrophobicContact CE2-CB 4.43Å; F184-L215 HydrophobicContact CE2-CD1 3.67Å; F184-L215 HydrophobicContact CE2-CD2 4.1Å; F184-L215 HydrophobicContact CE2-CG 4.27Å; F184-L215 HydrophobicContact CZ-CD1 4.27Å; M210-L215 HydrophobicContact CB-CB 4.19Å; M210-L215 HydrophobicContact CE-CB 4.01Å; M210-L215 HydrophobicContact CG-CB 4.22Å; M210-L215 HydrophobicContact CG-CD1 4.14Å; M210-L215 PolarHBondContact O-N 3.11Å; R213-L215 VanDerWaalsContact C-N 3.26Å; R213-L215 HydrophobicContact CB-CD1 4.01Å; R213-L215 HydrophobicContact CB-CD2 4.22Å; R213-L215 HydrophobicContact CB-CG 3.76Å; R213-L215 PolarHBondContact O-N 3.07Å; L215-P217 WeakPolarHBondContact O-CD 3.27Å
216F98.9Very high98Very high15 Ų1529.6 Ų29.67%0.06613%0.13CC..EExtended strand (participates in β ladder)trans-96.4115.4-178.8-170.1-100.8000112L117 Y121 S182 I183 F184 F218 E247 F249L117-F216 HydrophobicContact CD1-CD1 4.25Å; L117-F216 HydrophobicContact CD1-CE1 3.88Å; L117-F216 HydrophobicContact CD2-CD1 4.25Å; L117-F216 HydrophobicContact CD2-CE1 3.76Å; L117-F216 HydrophobicContact CD2-CZ 4Å; L117-F216 HydrophobicContact CG-CE1 4.47Å; Y121-F216 HydrophobicContact CD2-CD2 4.22Å; Y121-F216 HydrophobicContact CD2-CE2 4.41Å; Y121-F216 HydrophobicContact CD2-CG 4.39Å; Y121-F216 HydrophobicContact CE1-CB 4.34Å; Y121-F216 HydrophobicContact CE2-CB 3.87Å; Y121-F216 HydrophobicContact CE2-CD1 4.33Å; Y121-F216 AromaticContact CE2-CD2 3.3Å; Y121-F216 HydrophobicContact CE2-CD2 3.3Å; Y121-F216 AromaticContact CE2-CE2 3.84Å; Y121-F216 HydrophobicContact CE2-CE2 3.84Å; Y121-F216 AromaticContact CE2-CG 3.56Å; Y121-F216 HydrophobicContact CE2-CG 3.56Å; Y121-F216 AromaticContact CZ-CD2 3.88Å; Y121-F216 AromaticContact CZ-CG 3.84Å; Y121-F216 WeakPolarHBondContact OH-CB 3.45Å; S182-F216 PolarHBondContact O-N 3.17Å; I183-F216 HydrophobicContact CG1-CB 4.25Å; I183-F216 HydrophobicContact CG1-CD1 4.33Å; I183-F216 HydrophobicContact CG2-CD1 4.28Å; F184-F216 PolarHBondContact N-O 2.69Å; F216-F218 HydrophobicContact CE1-CB 4.38Å; F216-E247 WeakPolarHBondContact CE2-O 3.42Å; F216-F249 HydrophobicContact CE1-CB 4.27Å; F216-F249 HydrophobicContact CE1-CD1 4.49Å; F216-F249 HydrophobicContact CE1-CD2 4.31Å; F216-F249 HydrophobicContact CE1-CG 4.11Å; F216-F249 HydrophobicContact CZ-CB 4.39Å; F216-F249 AromaticContact CZ-CD1 3.88Å; F216-F249 HydrophobicContact CZ-CD1 3.88Å; F216-F249 HydrophobicContact CZ-CD2 4.4Å; F216-F249 HydrophobicContact CZ-CE1 4.21Å; F216-F249 AromaticContact CZ-CG 3.97Å; F216-F249 HydrophobicContact CZ-CG 3.97Å
217P98.9Very high97.6Very high1 Ų129.6 Ų29.61%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-80.4126.5173.230.3-30.8000111.1L186 M210 L215 F219 F241 F246 L248 F249L186-P217 HydrophobicContact CD1-CB 3.91Å; M210-P217 HydrophobicContact CE-CB 3.72Å; M210-P217 HydrophobicContact CE-CG 4.32Å; L215-P217 WeakPolarHBondContact O-CD 3.27Å; P217-F219 HydrophobicContact CB-CD2 4.29Å; P217-F219 HydrophobicContact CB-CE2 3.89Å; P217-F241 HydrophobicContact CB-CD1 3.96Å; P217-F241 HydrophobicContact CB-CE1 4.02Å; P217-F241 HydrophobicContact CG-CD1 3.87Å; P217-F241 HydrophobicContact CG-CE1 4.27Å; P217-F246 HydrophobicContact CG-CB 4.34Å; P217-F246 HydrophobicContact CG-CD1 3.64Å; P217-F246 HydrophobicContact CG-CE1 4.23Å; P217-F246 HydrophobicContact CG-CG 4.25Å; P217-L248 HydrophobicContact CB-CB 4.47Å; P217-L248 HydrophobicContact CG-CB 3.68Å; P217-L248 HydrophobicContact CG-CD2 4.31Å; P217-L248 WeakPolarHBondContact O-CB 3.44Å; P217-F249 PolarHBondContact O-N 2.94Å
218F98.9Very high97.3Very high0 Ų030.7 Ų30.70%014%0.138CC..EExtended strand (participates in β ladder)trans-118103.6165.6-167.5165.5000108.2L110 L117 F145 I183 F184 I185 L186 F216 F249 A251 L268L110-F218 HydrophobicContact CD2-CE1 4.48Å; L110-F218 HydrophobicContact CD2-CE2 4.08Å; L110-F218 HydrophobicContact CD2-CZ 4.06Å; L117-F218 HydrophobicContact CD1-CD1 3.74Å; L117-F218 HydrophobicContact CD1-CE1 4.11Å; F145-F218 HydrophobicContact CE1-CD1 4.41Å; F145-F218 AromaticContact CZ-CD1 3.82Å; F145-F218 HydrophobicContact CZ-CD1 3.82Å; F145-F218 AromaticContact CZ-CE1 3.92Å; F145-F218 HydrophobicContact CZ-CE1 3.92Å; I183-F218 HydrophobicContact CG2-CB 4.43Å; F184-F218 PolarHBondContact O-N 3.35Å; I185-F218 WeakPolarHBondContact CA-O 3.34Å; I185-F218 HydrophobicContact CD1-CB 3.77Å; I185-F218 HydrophobicContact CD1-CD1 4.02Å; I185-F218 HydrophobicContact CD1-CG 4.13Å; L186-F218 PolarHBondContact N-O 3.07Å; F216-F218 HydrophobicContact CE1-CB 4.38Å; F218-F249 HydrophobicContact CB-CB 4.48Å; F218-F249 HydrophobicContact CD1-CB 4.32Å; F218-F249 HydrophobicContact CD1-CD2 4.31Å; F218-F249 HydrophobicContact CD2-CB 3.47Å; F218-F249 VanDerWaalsContact CD2-CB 3.47Å; F218-F249 HydrophobicContact CE1-CB 4.45Å; F218-F249 HydrophobicContact CE1-CD2 4.05Å; F218-F249 HydrophobicContact CE2-CB 3.61Å; F218-F249 HydrophobicContact CE2-CD2 4.48Å; F218-F249 HydrophobicContact CG-CB 3.84Å; F218-F249 HydrophobicContact CZ-CB 4.11Å; F218-F249 HydrophobicContact CZ-CD2 4.13Å; F218-A251 HydrophobicContact CE2-CB 3.8Å; F218-A251 HydrophobicContact CZ-CB 4.44Å; F218-L268 HydrophobicContact CE2-CD1 3.77Å; F218-L268 HydrophobicContact CZ-CD1 3.85Å
219F98.9Very high97.1Very high0 Ų025.3 Ų25.30%012%0.119CC..EExtended strand (participates in β ladder)trans-79.8129.5180-76.3-83.1000112.2L186 A188 W203 P217 A237 I238 F241 L248 F249 I250 A251L186-F219 HydrophobicContact CB-CD1 3.75Å; L186-F219 HydrophobicContact CB-CE1 3.77Å; L186-F219 HydrophobicContact CB-CG 4.4Å; L186-F219 HydrophobicContact CB-CZ 4.42Å; L186-F219 HydrophobicContact CD1-CE1 3.9Å; L186-F219 HydrophobicContact CD1-CE2 4.24Å; L186-F219 HydrophobicContact CD1-CZ 3.74Å; L186-F219 CarbonylContact O-C 3.58Å; L186-F219 VanDerWaalsContact O-CA 3.24Å; L186-F219 WeakPolarHBondContact O-CA 3.25Å; A188-F219 HydrophobicContact CB-CD1 4.24Å; W203-F219 HydrophobicContact CH2-CE1 4.28Å; W203-F219 HydrophobicContact CZ3-CE1 4.38Å; P217-F219 HydrophobicContact CB-CD2 4.29Å; P217-F219 HydrophobicContact CB-CE2 3.89Å; F219-A237 HydrophobicContact CE1-CB 4.25Å; F219-I238 HydrophobicContact CB-CD1 4.3Å; F219-I238 HydrophobicContact CB-CG1 4.03Å; F219-I238 HydrophobicContact CD1-CG1 3.8Å; F219-I238 HydrophobicContact CD2-CG1 4.05Å; F219-I238 HydrophobicContact CE1-CG1 4.24Å; F219-I238 HydrophobicContact CE2-CG1 4.46Å; F219-I238 HydrophobicContact CG-CD1 4.48Å; F219-I238 HydrophobicContact CG-CG1 3.69Å; F219-F241 HydrophobicContact CE2-CB 4.09Å; F219-F241 AromaticContact CE2-CD1 3.99Å; F219-F241 HydrophobicContact CE2-CD1 3.99Å; F219-F241 HydrophobicContact CE2-CD2 4.37Å; F219-F241 HydrophobicContact CE2-CE1 4.48Å; F219-F241 AromaticContact CE2-CG 3.89Å; F219-F241 HydrophobicContact CE2-CG 3.89Å; F219-F241 HydrophobicContact CZ-CB 4.39Å; F219-F241 HydrophobicContact CZ-CD1 4.08Å; F219-F241 AromaticContact CZ-CD2 3.85Å; F219-F241 HydrophobicContact CZ-CD2 3.85Å; F219-F241 HydrophobicContact CZ-CE1 4.26Å; F219-F241 HydrophobicContact CZ-CE2 4.03Å; F219-F241 AromaticContact CZ-CG 3.85Å; F219-F241 HydrophobicContact CZ-CG 3.85Å; F219-F241 HydrophobicContact CZ-CZ 4.22Å; F219-L248 HydrophobicContact CD2-CD2 4.29Å; F219-L248 HydrophobicContact CE2-CD2 4.1Å; F219-F249 PolarHBondContact N-O 3.26Å; F219-I250 HydrophobicContact CB-CG1 4.5Å; F219-I250 HydrophobicContact CB-CG2 4.27Å; F219-I250 CarbonylContact O-C 3.55Å; F219-I250 WeakPolarHBondContact O-CA 3.38Å; F219-A251 PolarHBondContact O-N 3.15Å
220D98.9Very high96.9Very high15 Ų1528.5 Ų28.58%0.0814%0.135CC..EExtended strand (participates in β ladder)trans-93.8117.9160.2-175-4.4000109H141 L186 A188H141-D220 IonicContact CE1-OD2 2.91Å; H141-D220 IonicContact NE2-OD2 3.54Å; H141-D220 PolarHBondContact NE2-OD2 2.87Å; H141-D220 VanDerWaalsContact NE2-OD2 3.14Å; L186-D220 PolarHBondContact O-N 3.18Å; A188-D220 PolarHBondContact N-O 2.99Å
221S98.6Very high96.8Very high4 Ų429.4 Ų29.43%0.02814%0.14CC..EExtended strand (participates in β ladder)trans-122.182.9-178.1-173.90000110.6A251 Q252 S253S221-A251 PolarHBondContact N-O 3.42Å; S221-Q252 WeakPolarHBondContact O-CA 3.41Å; S221-S253 PolarHBondContact O-N 3.45Å
222A98.1Very high96.7Very high9 Ų928.8 Ų28.87%0.07414%0.139CC..SBendtrans-101.7-11.8-178.300000115
223Y97.6Very high96.6Very high12 Ų1228.3 Ų28.35%0.04714%0.14CC..  trans-126.29.6-168.4-59.1-74.8000114.3A190 N192 G225 F226 A227 K256 M357 F358A190-Y223 HydrophobicContact CB-CD2 4.02Å; A190-Y223 HydrophobicContact CB-CG 3.93Å; N192-Y223 HydrophobicContact CB-CE2 4.37Å; Y223-G225 PolarHBondContact O-N 2.84Å; Y223-F226 HydrophobicContact CD1-CD1 4.25Å; Y223-F226 WeakPolarHBondContact O-CA 3.17Å; Y223-F226 WeakPolarHBondContact O-CB 3.43Å; Y223-F226 PolarHBondContact O-N 3.29Å; Y223-A227 PolarHBondContact O-N 3.49Å; Y223-K256 HydrophobicContact CD1-CB 4.34Å; Y223-K256 HydrophobicContact CD1-CG 4.13Å; Y223-K256 HydrophobicContact CE1-CD 4.18Å; Y223-K256 HydrophobicContact CE1-CG 3.82Å; Y223-M357 HydrophobicContact CE1-CB 4.16Å; Y223-M357 HydrophobicContact CE1-SD 4.32Å; Y223-F358 HydrophobicContact CE1-CE2 4.49Å; Y223-F358 VanDerWaalsContact OH-CE2 3.24Å; Y223-F358 WeakPolarHBondContact OH-CE2 3.37Å
224Q97.9Very high96.6Very high3 Ų326.3 Ų26.31%0.01413%0.134CC..THydrogen-bonded Turntrans-55.4126-176.6-166.5-171.1-10.700112V84 F226 L231 D234 A235 N257V84-Q224 PolarHBondContact O-NE2 3.49Å; Q224-F226 PolarHBondContact O-N 3.27Å; Q224-L231 HydrophobicContact CG-CD2 4.19Å; Q224-L231 PolarHBondContact NE2-O 3.32Å; Q224-D234 HydrophobicContact CB-CB 4.46Å; Q224-D234 HydrophobicContact CG-CB 3.9Å; Q224-A235 HydrophobicContact CG-CB 4.32Å; Q224-A235 VanDerWaalsContact NE2-CB 3.26Å; Q224-N257 WeakPolarHBondContact O-CB 3.4Å; Q224-N257 PolarHBondContact O-ND2 3.02Å
225G95.4Very high96.6Very high0 Ų021.2 Ų21.20%011%0.111CC..THydrogen-bonded Turntrans84.2-36.9-173.600000113.2Y223 A227 G229 D234 V321Y223-G225 PolarHBondContact O-N 2.84Å; G225-A227 VanDerWaalsContact C-N 3.28Å; G225-A227 PolarHBondContact O-N 3.12Å; G225-G229 CarbonylContact O-C 3.43Å; G225-G229 WeakPolarHBondContact O-CA 3.12Å; G225-G229 PolarHBondContact O-N 3.23Å; G225-D234 VanDerWaalsContact C-OD2 3.31Å; G225-D234 WeakPolarHBondContact CA-OD2 3.44Å; G225-D234 PolarHBondContact N-OD2 2.86Å; G225-V321 VanDerWaalsContact O-CG1 3.28Å; G225-V321 WeakPolarHBondContact O-CG1 3.47Å
226F89Confident96.5Very high0 Ų023.8 Ų23.80%012%0.121CC..THydrogen-bonded Turntrans-76.1-17.6-179.9-173.7-94.8000112.7Y38 Y223 Q224 M324 V328 M357Y38-F226 AromaticContact CD2-CE2 3.78Å; Y38-F226 HydrophobicContact CD2-CE2 3.78Å; Y38-F226 AromaticContact CD2-CZ 3.86Å; Y38-F226 HydrophobicContact CD2-CZ 3.86Å; Y38-F226 HydrophobicContact CG-CE2 4.24Å; Y38-F226 HydrophobicContact CG-CZ 4.46Å; Y223-F226 HydrophobicContact CD1-CD1 4.25Å; Y223-F226 WeakPolarHBondContact O-CA 3.17Å; Y223-F226 WeakPolarHBondContact O-CB 3.43Å; Y223-F226 PolarHBondContact O-N 3.29Å; Q224-F226 PolarHBondContact O-N 3.27Å; F226-M324 HydrophobicContact CD2-CB 3.77Å; F226-M324 HydrophobicContact CD2-CE 3.91Å; F226-M324 HydrophobicContact CD2-SD 4.11Å; F226-M324 HydrophobicContact CE2-CB 3.46Å; F226-M324 VanDerWaalsContact CE2-CB 3.46Å; F226-M324 HydrophobicContact CE2-CE 4.23Å; F226-M324 HydrophobicContact CE2-CG 4.2Å; F226-M324 HydrophobicContact CE2-SD 3.8Å; F226-V328 HydrophobicContact CE1-CG2 4.47Å; F226-V328 HydrophobicContact CZ-CG2 4.11Å; F226-M357 HydrophobicContact CE1-CB 3.91Å; F226-M357 HydrophobicContact CE1-CG 4.22Å; F226-M357 HydrophobicContact CZ-CE 4.44Å
227A90.1Very high96.5Very high2 Ų223.2 Ų23.22%0.01712%0.119CC..THydrogen-bonded Turntrans-76.4-53.7-179.600000111.4C189 A190 Y223 G225 D234 I355C189-A227 HydrophobicContact CB-CB 4.35Å; A190-A227 HydrophobicContact CB-CB 3.68Å; Y223-A227 PolarHBondContact O-N 3.49Å; G225-A227 VanDerWaalsContact C-N 3.28Å; G225-A227 PolarHBondContact O-N 3.12Å; A227-D234 WeakPolarHBondContact CB-OD2 3.17Å; A227-D234 PolarHBondContact N-OD2 3.19Å; A227-I355 HydrophobicContact CB-CG2 3.79Å; A227-I355 WeakPolarHBondContact O-CG2 3.47Å
228S92.9Very high96.5Very high26 Ų2623.2 Ų23.218%0.18212%0.119CC..THydrogen-bonded Turntrans-113.2-4.8-177.569.90000115.5N230 D234S228-N230 PolarHBondContact OG-N 3.47Å; S228-N230 PolarHBondContact OG-O 3.3Å; S228-D234 WeakPolarHBondContact CB-OD1 3.38Å; S228-D234 PolarHBondContact N-OD1 3.31Å; S228-D234 PolarHBondContact N-OD2 3.09Å; S228-D234 VanDerWaalsContact OG-CG 3.26Å; S228-D234 PolarHBondContact OG-OD1 3.05Å; S228-D234 PolarHBondContact OG-OD2 2.98Å
229G94.5Very high96.5Very high21 Ų2124.8 Ų24.822%0.21613%0.125CC..SBendtrans805.3-167.800000113.2G225G225-G229 CarbonylContact O-C 3.43Å; G225-G229 WeakPolarHBondContact O-CA 3.12Å; G225-G229 PolarHBondContact O-N 3.23Å
230N96Very high96.4Very high78 Ų7826.6 Ų26.642%0.41713%0.133SC..  trans-137.5117.5-175-175-49.2000111.6S228 E232 K233 D234S228-N230 PolarHBondContact OG-N 3.47Å; S228-N230 PolarHBondContact OG-O 3.3Å; N230-E232 VanDerWaalsContact C-N 3.32Å; N230-E232 PolarHBondContact O-N 3.38Å; N230-E232 WeakPolarHBondContact OD1-CA 3.2Å; N230-E232 VanDerWaalsContact OD1-CB 3.29Å; N230-E232 WeakPolarHBondContact OD1-CB 3.42Å; N230-E232 PolarHBondContact OD1-N 3.24Å; N230-K233 HydrophobicContact CB-CB 4.05Å; N230-K233 PolarHBondContact OD1-N 2.7Å; N230-D234 WeakPolarHBondContact O-CB 3.05Å; N230-D234 PolarHBondContact O-N 3.33Å; N230-D234 VanDerWaalsContact O-N 3.13Å
231L96.5Very high96.4Very high18 Ų1825.9 Ų25.99%0.09413%0.129CC..Hα-helixtrans-63.5-35.5-177.5-62.6169000113.6V84 Q224 A235 F314 W317 K318V84-L231 HydrophobicContact CG1-CD2 4.49Å; Q224-L231 HydrophobicContact CG-CD2 4.19Å; Q224-L231 PolarHBondContact NE2-O 3.32Å; L231-A235 WeakPolarHBondContact O-CB 3.5Å; L231-A235 PolarHBondContact O-N 2.91Å; L231-A235 VanDerWaalsContact O-N 3.08Å; L231-F314 HydrophobicContact CD1-CE2 4.3Å; L231-F314 HydrophobicContact CD1-CZ 4.09Å; L231-W317 HydrophobicContact CD1-CE3 4.5Å; L231-W317 HydrophobicContact CD1-CH2 3.97Å; L231-W317 HydrophobicContact CD1-CZ3 3.49Å; L231-W317 VanDerWaalsContact CD1-CZ3 3.49Å; L231-W317 HydrophobicContact CD2-CH2 3.54Å; L231-W317 HydrophobicContact CD2-CZ2 4.48Å; L231-W317 HydrophobicContact CD2-CZ3 3.97Å; L231-W317 HydrophobicContact CG-CH2 4.38Å; L231-W317 HydrophobicContact CG-CZ3 4.33Å; L231-K318 HydrophobicContact CD1-CD 4.09Å; L231-K318 HydrophobicContact CD1-CG 3.94Å
232E96Very high96.4Very high102 Ų10225.8 Ų25.848%0.47713%0.128SC..Hα-helixtrans-72.9-45.9-175.5-54.7-64.8111.600110.2N230 D234 A235 W236 R239N230-E232 VanDerWaalsContact C-N 3.32Å; N230-E232 PolarHBondContact O-N 3.38Å; N230-E232 WeakPolarHBondContact OD1-CA 3.2Å; N230-E232 VanDerWaalsContact OD1-CB 3.29Å; N230-E232 WeakPolarHBondContact OD1-CB 3.42Å; N230-E232 PolarHBondContact OD1-N 3.24Å; E232-D234 VanDerWaalsContact C-N 3.29Å; E232-D234 PolarHBondContact O-N 3.05Å; E232-A235 PolarHBondContact O-N 3.4Å; E232-W236 PolarHBondContact O-N 3.49Å; E232-W236 VanDerWaalsContact O-N 3.13Å; E232-R239 VanDerWaalsContact CD-NH1 3.3Å; E232-R239 IonicContact OE1-CZ 2.76Å; E232-R239 IonicContact OE1-NH1 2.81Å; E232-R239 PolarHBondContact OE1-NH1 2.94Å; E232-R239 IonicContact OE1-NH2 3.37Å; E232-R239 PolarHBondContact OE1-NH2 3.32Å; E232-R239 IonicContact OE2-CZ 2.69Å; E232-R239 IonicContact OE2-NH1 3.87Å; E232-R239 PolarHBondContact OE2-NH1 2.93Å; E232-R239 IonicContact OE2-NH2 3.58Å; E232-R239 PolarHBondContact OE2-NH2 2.84Å
233K96.4Very high96.3Very high127 Ų12729.2 Ų29.255%0.55215%0.151SC*.Hα-helixtrans-59.8-43.7174.9-178.1173.4173.6-178.10110.8N230 A235 W236N230-K233 HydrophobicContact CB-CB 4.05Å; N230-K233 PolarHBondContact OD1-N 2.7Å; K233-A235 VanDerWaalsContact C-N 3.35Å; K233-A235 PolarHBondContact O-N 2.88Å; K233-W236 WeakPolarHBondContact O-CB 3.4Å; K233-W236 PolarHBondContact O-N 2.76Å
234D97.8Very high96.3Very high7 Ų732 Ų324%0.03717%0.165CC..Hα-helixtrans-75.5-21-175.3-68.9-4.4000113.7C189 Q224 G225 A227 S228 N230 E232C189-D234 HydrophobicContact CB-CB 4.37Å; Q224-D234 HydrophobicContact CB-CB 4.46Å; Q224-D234 HydrophobicContact CG-CB 3.9Å; G225-D234 VanDerWaalsContact C-OD2 3.31Å; G225-D234 WeakPolarHBondContact CA-OD2 3.44Å; G225-D234 PolarHBondContact N-OD2 2.86Å; A227-D234 WeakPolarHBondContact CB-OD2 3.17Å; A227-D234 PolarHBondContact N-OD2 3.19Å; S228-D234 WeakPolarHBondContact CB-OD1 3.38Å; S228-D234 PolarHBondContact N-OD1 3.31Å; S228-D234 PolarHBondContact N-OD2 3.09Å; S228-D234 VanDerWaalsContact OG-CG 3.26Å; S228-D234 PolarHBondContact OG-OD1 3.05Å; S228-D234 PolarHBondContact OG-OD2 2.98Å; N230-D234 WeakPolarHBondContact O-CB 3.05Å; N230-D234 PolarHBondContact O-N 3.33Å; N230-D234 VanDerWaalsContact O-N 3.13Å; E232-D234 VanDerWaalsContact C-N 3.29Å; E232-D234 PolarHBondContact O-N 3.05Å
235A97.9Very high96.3Very high0 Ų034.4 Ų34.40%019%0.191CC..THydrogen-bonded Turntrans-99.62.4173.900000114.1A85 Q224 L231 E232 K233 A237 I238 R239A85-A235 WeakPolarHBondContact O-CB 3.44Å; Q224-A235 HydrophobicContact CG-CB 4.32Å; Q224-A235 VanDerWaalsContact NE2-CB 3.26Å; L231-A235 WeakPolarHBondContact O-CB 3.5Å; L231-A235 PolarHBondContact O-N 2.91Å; L231-A235 VanDerWaalsContact O-N 3.08Å; E232-A235 PolarHBondContact O-N 3.4Å; K233-A235 VanDerWaalsContact C-N 3.35Å; K233-A235 PolarHBondContact O-N 2.88Å; A235-A237 VanDerWaalsContact C-N 3.31Å; A235-A237 PolarHBondContact O-N 3.48Å; A235-I238 WeakPolarHBondContact O-CB 3.21Å; A235-I238 PolarHBondContact O-N 3.24Å; A235-I238 VanDerWaalsContact O-N 3.16Å; A235-R239 HydrophobicContact CB-CG 4.46Å; A235-R239 WeakPolarHBondContact O-CG 3.15Å; A235-R239 PolarHBondContact O-N 3.42Å; A235-R239 VanDerWaalsContact O-N 3.08Å
236W98.1Very high96.4Very high59 Ų5935.1 Ų35.122%0.22319%0.194CC..Hα-helixtrans-55.2-44.9-170.9-175.592.7000112.7Q200 W203 K204 E232 K233 I238 R239 F240Q200-W236 HydrophobicContact CB-CD2 4.35Å; Q200-W236 HydrophobicContact CB-CE3 4.17Å; Q200-W236 HydrophobicContact CB-CH2 3.65Å; Q200-W236 HydrophobicContact CB-CZ2 3.8Å; Q200-W236 HydrophobicContact CB-CZ3 3.84Å; Q200-W236 VanDerWaalsContact CD-CE2 3.48Å; Q200-W236 HydrophobicContact CG-CD2 3.67Å; Q200-W236 HydrophobicContact CG-CE3 3.76Å; Q200-W236 HydrophobicContact CG-CG 4.29Å; Q200-W236 HydrophobicContact CG-CH2 4.06Å; Q200-W236 HydrophobicContact CG-CZ2 3.94Å; Q200-W236 HydrophobicContact CG-CZ3 3.97Å; Q200-W236 WeakPolarHBondContact O-CH2 3.37Å; W203-W236 HydrophobicContact CB-CE3 4.44Å; W203-W236 HydrophobicContact CB-CZ3 3.65Å; W203-W236 HydrophobicContact CG-CZ3 4.32Å; K204-W236 HydrophobicContact CG-CH2 4.04Å; E232-W236 PolarHBondContact O-N 3.49Å; E232-W236 VanDerWaalsContact O-N 3.13Å; K233-W236 WeakPolarHBondContact O-CB 3.4Å; K233-W236 PolarHBondContact O-N 2.76Å; W236-I238 PolarHBondContact O-N 3.25Å; W236-R239 PolarHBondContact O-N 3.48Å; W236-F240 HydrophobicContact CD2-CB 4.49Å; W236-F240 HydrophobicContact CE3-CB 4.24Å; W236-F240 HydrophobicContact CH2-CB 4.01Å; W236-F240 HydrophobicContact CH2-CD1 4.25Å; W236-F240 AromaticContact CH2-CD2 3.99Å; W236-F240 HydrophobicContact CH2-CD2 3.99Å; W236-F240 AromaticContact CH2-CG 3.79Å; W236-F240 HydrophobicContact CH2-CG 3.79Å; W236-F240 HydrophobicContact CZ2-CB 4.3Å; W236-F240 HydrophobicContact CZ2-CD2 4.13Å; W236-F240 HydrophobicContact CZ2-CG 4.25Å; W236-F240 HydrophobicContact CZ3-CB 3.97Å; W236-F240 HydrophobicContact CZ3-CD1 4.4Å; W236-F240 HydrophobicContact CZ3-CG 4.1Å; W236-F240 WeakPolarHBondContact O-CB 3.44Å; W236-F240 PolarHBondContact O-N 3.36Å
237A98.4Very high96.8Very high4 Ų439.5 Ų39.53%0.03322%0.215CC..Hα-helixtrans-60.2-47.2-179.700000111.8W203 F219 A235 R239 F240 F241W203-A237 HydrophobicContact CD2-CB 3.68Å; W203-A237 HydrophobicContact CE3-CB 4.23Å; W203-A237 HydrophobicContact CG-CB 3.93Å; W203-A237 HydrophobicContact CZ2-CB 4.07Å; F219-A237 HydrophobicContact CE1-CB 4.25Å; A235-A237 VanDerWaalsContact C-N 3.31Å; A235-A237 PolarHBondContact O-N 3.48Å; A237-R239 VanDerWaalsContact C-N 3.35Å; A237-R239 PolarHBondContact O-N 3.02Å; A237-F240 PolarHBondContact O-N 2.96Å; A237-F241 WeakPolarHBondContact O-CD2 3.33Å; A237-F241 PolarHBondContact O-N 3.39Å
238I98.6Very high97.2Very high0 Ų039.5 Ų39.50%021%0.214CC..Hα-helixtrans-56.6-51.2176.8-65.4168.2000110.1L86 A188 F219 A235 W236 F240 F241 V242 I250L86-I238 HydrophobicContact CD2-CG2 3.86Å; A188-I238 HydrophobicContact CB-CD1 3.63Å; A188-I238 HydrophobicContact CB-CG1 4.06Å; F219-I238 HydrophobicContact CB-CD1 4.3Å; F219-I238 HydrophobicContact CB-CG1 4.03Å; F219-I238 HydrophobicContact CD1-CG1 3.8Å; F219-I238 HydrophobicContact CD2-CG1 4.05Å; F219-I238 HydrophobicContact CE1-CG1 4.24Å; F219-I238 HydrophobicContact CE2-CG1 4.46Å; F219-I238 HydrophobicContact CG-CD1 4.48Å; F219-I238 HydrophobicContact CG-CG1 3.69Å; A235-I238 WeakPolarHBondContact O-CB 3.21Å; A235-I238 PolarHBondContact O-N 3.24Å; A235-I238 VanDerWaalsContact O-N 3.16Å; W236-I238 PolarHBondContact O-N 3.25Å; I238-F240 VanDerWaalsContact C-N 3.31Å; I238-F240 PolarHBondContact O-N 3.03Å; I238-F241 PolarHBondContact O-N 3.13Å; I238-V242 WeakPolarHBondContact O-CG2 3.45Å; I238-V242 PolarHBondContact O-N 3.49Å; I238-I250 HydrophobicContact CD1-CG2 3.82Å; I238-I250 HydrophobicContact CG2-CD1 3.39Å; I238-I250 HydrophobicContact CG2-CG1 3.97Å
239R98.2Very high97.5Very high34 Ų3438.7 Ų38.713%0.12821%0.207CC..Hα-helixtrans-65.8-37-175.8-63.7-176.4-172.2-172.311.3111.9V84 A85 L86 G87 E232 A235 W236 A237 V242 S243V84-R239 PolarHBondContact O-NH2 2.88Å; A85-R239 WeakPolarHBondContact O-CG 3.26Å; A85-R239 PolarHBondContact O-NE 2.94Å; A85-R239 VanDerWaalsContact O-NE 3.12Å; L86-R239 VanDerWaalsContact C-NE 3.25Å; L86-R239 VanDerWaalsContact O-CD 3.27Å; L86-R239 WeakPolarHBondContact O-CD 3.4Å; L86-R239 WeakPolarHBondContact O-CG 3.49Å; L86-R239 PolarHBondContact O-NE 3.31Å; G87-R239 VanDerWaalsContact CA-CZ 3.48Å; G87-R239 VanDerWaalsContact N-CZ 3.34Å; E232-R239 VanDerWaalsContact CD-NH1 3.3Å; E232-R239 IonicContact OE1-CZ 2.76Å; E232-R239 IonicContact OE1-NH1 2.81Å; E232-R239 PolarHBondContact OE1-NH1 2.94Å; E232-R239 IonicContact OE1-NH2 3.37Å; E232-R239 PolarHBondContact OE1-NH2 3.32Å; E232-R239 IonicContact OE2-CZ 2.69Å; E232-R239 IonicContact OE2-NH1 3.87Å; E232-R239 PolarHBondContact OE2-NH1 2.93Å; E232-R239 IonicContact OE2-NH2 3.58Å; E232-R239 PolarHBondContact OE2-NH2 2.84Å; A235-R239 HydrophobicContact CB-CG 4.46Å; A235-R239 WeakPolarHBondContact O-CG 3.15Å; A235-R239 PolarHBondContact O-N 3.42Å; A235-R239 VanDerWaalsContact O-N 3.08Å; W236-R239 PolarHBondContact O-N 3.48Å; A237-R239 VanDerWaalsContact C-N 3.35Å; A237-R239 PolarHBondContact O-N 3.02Å; R239-V242 PolarHBondContact O-N 2.99Å; R239-S243 PolarHBondContact O-N 3.37Å
240F98.3Very high97.7Very high37 Ų3737.7 Ų37.716%0.16220%0.197CC..Hα-helixtrans-63-46.5173.5-178.3-102.4000111.4K204 A207 W236 A237 I238 V242 S243 Q244K204-F240 HydrophobicContact CB-CE1 4.21Å; K204-F240 HydrophobicContact CB-CZ 4.19Å; K204-F240 HydrophobicContact CG-CE1 3.87Å; K204-F240 HydrophobicContact CG-CE2 4.06Å; K204-F240 HydrophobicContact CG-CZ 3.61Å; A207-F240 HydrophobicContact CB-CD1 4.12Å; A207-F240 HydrophobicContact CB-CE1 3.69Å; W236-F240 HydrophobicContact CD2-CB 4.49Å; W236-F240 HydrophobicContact CE3-CB 4.24Å; W236-F240 HydrophobicContact CH2-CB 4.01Å; W236-F240 HydrophobicContact CH2-CD1 4.25Å; W236-F240 AromaticContact CH2-CD2 3.99Å; W236-F240 HydrophobicContact CH2-CD2 3.99Å; W236-F240 AromaticContact CH2-CG 3.79Å; W236-F240 HydrophobicContact CH2-CG 3.79Å; W236-F240 HydrophobicContact CZ2-CB 4.3Å; W236-F240 HydrophobicContact CZ2-CD2 4.13Å; W236-F240 HydrophobicContact CZ2-CG 4.25Å; W236-F240 HydrophobicContact CZ3-CB 3.97Å; W236-F240 HydrophobicContact CZ3-CD1 4.4Å; W236-F240 HydrophobicContact CZ3-CG 4.1Å; W236-F240 WeakPolarHBondContact O-CB 3.44Å; W236-F240 PolarHBondContact O-N 3.36Å; A237-F240 PolarHBondContact O-N 2.96Å; I238-F240 VanDerWaalsContact C-N 3.31Å; I238-F240 PolarHBondContact O-N 3.03Å; F240-V242 VanDerWaalsContact C-N 3.34Å; F240-V242 PolarHBondContact O-N 3.35Å; F240-S243 PolarHBondContact O-N 3.35Å; F240-S243 VanDerWaalsContact O-N 3.14Å; F240-S243 PolarHBondContact O-OG 3.37Å; F240-Q244 HydrophobicContact CD1-CG 4.22Å; F240-Q244 HydrophobicContact CE1-CG 3.68Å; F240-Q244 HydrophobicContact CE2-CG 4.09Å; F240-Q244 HydrophobicContact CZ-CG 3.6Å; F240-Q244 WeakPolarHBondContact O-CG 3.48Å; F240-Q244 PolarHBondContact O-N 3.27Å
241F98.7Very high97.9Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-59.7-44.2175.6-86.4-117.4000111.8L186 W203 I206 A207 M210 P217 F219 A237 I238 S243 Q244 G245 F246 L248L186-F241 HydrophobicContact CD1-CE1 4.21Å; L186-F241 HydrophobicContact CD1-CZ 4.2Å; W203-F241 AromaticContact CE3-CE2 3.92Å; W203-F241 HydrophobicContact CE3-CE2 3.92Å; W203-F241 HydrophobicContact CE3-CZ 4.32Å; W203-F241 HydrophobicContact CZ3-CE2 4.38Å; W203-F241 HydrophobicContact CZ3-CZ 4.47Å; I206-F241 HydrophobicContact CG2-CZ 4.13Å; A207-F241 HydrophobicContact CB-CD2 4.02Å; A207-F241 HydrophobicContact CB-CE1 4.2Å; A207-F241 HydrophobicContact CB-CE2 3.61Å; A207-F241 HydrophobicContact CB-CZ 3.72Å; M210-F241 HydrophobicContact CE-CE1 4.29Å; M210-F241 HydrophobicContact SD-CE1 3.64Å; M210-F241 HydrophobicContact SD-CZ 3.93Å; P217-F241 HydrophobicContact CB-CD1 3.96Å; P217-F241 HydrophobicContact CB-CE1 4.02Å; P217-F241 HydrophobicContact CG-CD1 3.87Å; P217-F241 HydrophobicContact CG-CE1 4.27Å; F219-F241 HydrophobicContact CE2-CB 4.09Å; F219-F241 AromaticContact CE2-CD1 3.99Å; F219-F241 HydrophobicContact CE2-CD1 3.99Å; F219-F241 HydrophobicContact CE2-CD2 4.37Å; F219-F241 HydrophobicContact CE2-CE1 4.48Å; F219-F241 AromaticContact CE2-CG 3.89Å; F219-F241 HydrophobicContact CE2-CG 3.89Å; F219-F241 HydrophobicContact CZ-CB 4.39Å; F219-F241 HydrophobicContact CZ-CD1 4.08Å; F219-F241 AromaticContact CZ-CD2 3.85Å; F219-F241 HydrophobicContact CZ-CD2 3.85Å; F219-F241 HydrophobicContact CZ-CE1 4.26Å; F219-F241 HydrophobicContact CZ-CE2 4.03Å; F219-F241 AromaticContact CZ-CG 3.85Å; F219-F241 HydrophobicContact CZ-CG 3.85Å; F219-F241 HydrophobicContact CZ-CZ 4.22Å; A237-F241 WeakPolarHBondContact O-CD2 3.33Å; A237-F241 PolarHBondContact O-N 3.39Å; I238-F241 PolarHBondContact O-N 3.13Å; F241-S243 VanDerWaalsContact C-N 3.32Å; F241-S243 PolarHBondContact O-N 3.37Å; F241-Q244 PolarHBondContact O-N 3.07Å; F241-Q244 VanDerWaalsContact O-N 3.14Å; F241-G245 PolarHBondContact O-N 3.1Å; F241-F246 HydrophobicContact CB-CB 4.45Å; F241-F246 HydrophobicContact CB-CD2 4.15Å; F241-F246 HydrophobicContact CB-CG 4.41Å; F241-F246 HydrophobicContact CD1-CD1 4.11Å; F241-F246 AromaticContact CD1-CD2 3.9Å; F241-F246 HydrophobicContact CD1-CD2 3.9Å; F241-F246 HydrophobicContact CD1-CE1 4.1Å; F241-F246 AromaticContact CD1-CE2 3.87Å; F241-F246 HydrophobicContact CD1-CE2 3.87Å; F241-F246 AromaticContact CD1-CG 3.98Å; F241-F246 HydrophobicContact CD1-CG 3.98Å; F241-F246 AromaticContact CD1-CZ 3.94Å; F241-F246 HydrophobicContact CD1-CZ 3.94Å; F241-F246 HydrophobicContact CE1-CE1 4.25Å; F241-F246 HydrophobicContact CE1-CE2 4.33Å; F241-F246 HydrophobicContact CE1-CZ 4.04Å; F241-F246 HydrophobicContact CG-CD2 4.28Å; F241-F246 HydrophobicContact CG-CE2 4.39Å; F241-F246 WeakPolarHBondContact O-CB 3.36Å; F241-F246 WeakPolarHBondContact O-CD2 3.42Å; F241-F246 PolarHBondContact O-N 2.97Å; F241-L248 HydrophobicContact CB-CD2 3.75Å
242V98.3Very high98Very high3 Ų333.3 Ų33.32%0.01817%0.174CC..Hα-helixtrans-61.5-40.5175.4176.40000111.8L86 N90 A92 I238 R239 F240 Q244 G245 L248 V271L86-V242 HydrophobicContact CD2-CG2 3.74Å; N90-V242 WeakPolarHBondContact OD1-CG1 3.46Å; A92-V242 HydrophobicContact CB-CG1 3.97Å; I238-V242 WeakPolarHBondContact O-CG2 3.45Å; I238-V242 PolarHBondContact O-N 3.49Å; R239-V242 PolarHBondContact O-N 2.99Å; F240-V242 VanDerWaalsContact C-N 3.34Å; F240-V242 PolarHBondContact O-N 3.35Å; V242-Q244 PolarHBondContact O-N 2.9Å; V242-G245 PolarHBondContact O-N 3.31Å; V242-L248 HydrophobicContact CG2-CD1 4.24Å; V242-L248 HydrophobicContact CG2-CD2 3.77Å; V242-L248 HydrophobicContact CG2-CG 4.15Å; V242-V271 HydrophobicContact CG1-CG1 4.16Å; V242-V271 HydrophobicContact CG2-CB 4.49Å; V242-V271 HydrophobicContact CG2-CG1 4.27Å; V242-V271 HydrophobicContact CG2-CG2 3.95Å
243S96.6Very high98.1Very high80 Ų8028.7 Ų28.756%0.55915%0.153SC*.Hα-helixtrans-67.7-25.2177.581.70000113.1R239 F240 F241 G245R239-S243 PolarHBondContact O-N 3.37Å; F240-S243 PolarHBondContact O-N 3.35Å; F240-S243 VanDerWaalsContact O-N 3.14Å; F240-S243 PolarHBondContact O-OG 3.37Å; F241-S243 VanDerWaalsContact C-N 3.32Å; F241-S243 PolarHBondContact O-N 3.37Å; S243-G245 PolarHBondContact O-N 2.74Å
244Q97.4Very high98.2Very high70 Ų7022.8 Ų22.833%0.32713%0.127SC..THydrogen-bonded Turntrans-79.11.8170.9-64-46.2-65.100113.5K211 F240 F241 V242 F246K211-Q244 WeakPolarHBondContact CE-O 3.33Å; K211-Q244 PolarHBondContact NZ-O 2.92Å; F240-Q244 HydrophobicContact CD1-CG 4.22Å; F240-Q244 HydrophobicContact CE1-CG 3.68Å; F240-Q244 HydrophobicContact CE2-CG 4.09Å; F240-Q244 HydrophobicContact CZ-CG 3.6Å; F240-Q244 WeakPolarHBondContact O-CG 3.48Å; F240-Q244 PolarHBondContact O-N 3.27Å; F241-Q244 PolarHBondContact O-N 3.07Å; F241-Q244 VanDerWaalsContact O-N 3.14Å; V242-Q244 PolarHBondContact O-N 2.9Å; Q244-F246 HydrophobicContact CB-CD2 3.88Å; Q244-F246 HydrophobicContact CB-CE2 3.96Å
245G96.4Very high98.2Very high55 Ų5522.5 Ų22.557%0.56713%0.126SC*.THydrogen-bonded Turntrans83.520.6174.900000114.5F241 V242 S243F241-G245 PolarHBondContact O-N 3.1Å; V242-G245 PolarHBondContact O-N 3.31Å; S243-G245 PolarHBondContact O-N 2.74Å
246F98.4Very high98.2Very high15 Ų1524.4 Ų24.47%0.06613%0.134CC..  trans-69.1137.6174.7-78.6-97.2000111.8A207 M210 K211 P217 F241 Q244 L248A207-F246 HydrophobicContact CB-CE2 4.26Å; A207-F246 WeakPolarHBondContact O-CZ 3.41Å; M210-F246 HydrophobicContact CB-CE1 3.94Å; M210-F246 HydrophobicContact CB-CZ 3.91Å; K211-F246 HydrophobicContact CB-CE1 4.36Å; K211-F246 HydrophobicContact CB-CE2 3.98Å; K211-F246 HydrophobicContact CB-CZ 3.6Å; K211-F246 HydrophobicContact CD-CE2 4.43Å; K211-F246 HydrophobicContact CG-CE2 4.5Å; K211-F246 HydrophobicContact CG-CZ 4.43Å; P217-F246 HydrophobicContact CG-CB 4.34Å; P217-F246 HydrophobicContact CG-CD1 3.64Å; P217-F246 HydrophobicContact CG-CE1 4.23Å; P217-F246 HydrophobicContact CG-CG 4.25Å; F241-F246 HydrophobicContact CB-CB 4.45Å; F241-F246 HydrophobicContact CB-CD2 4.15Å; F241-F246 HydrophobicContact CB-CG 4.41Å; F241-F246 HydrophobicContact CD1-CD1 4.11Å; F241-F246 AromaticContact CD1-CD2 3.9Å; F241-F246 HydrophobicContact CD1-CD2 3.9Å; F241-F246 HydrophobicContact CD1-CE1 4.1Å; F241-F246 AromaticContact CD1-CE2 3.87Å; F241-F246 HydrophobicContact CD1-CE2 3.87Å; F241-F246 AromaticContact CD1-CG 3.98Å; F241-F246 HydrophobicContact CD1-CG 3.98Å; F241-F246 AromaticContact CD1-CZ 3.94Å; F241-F246 HydrophobicContact CD1-CZ 3.94Å; F241-F246 HydrophobicContact CE1-CE1 4.25Å; F241-F246 HydrophobicContact CE1-CE2 4.33Å; F241-F246 HydrophobicContact CE1-CZ 4.04Å; F241-F246 HydrophobicContact CG-CD2 4.28Å; F241-F246 HydrophobicContact CG-CE2 4.39Å; F241-F246 WeakPolarHBondContact O-CB 3.36Å; F241-F246 WeakPolarHBondContact O-CD2 3.42Å; F241-F246 PolarHBondContact O-N 2.97Å; Q244-F246 HydrophobicContact CB-CD2 3.88Å; Q244-F246 HydrophobicContact CB-CE2 3.96Å; F246-L248 HydrophobicContact CB-CD2 4.12Å
247E98.1Very high98.1Very high92 Ų9221.8 Ų21.843%0.4312%0.124SC..  trans-81131.5153.1-63.6-170.89000108.2F216 V271 S272 K273F216-E247 WeakPolarHBondContact CE2-O 3.42Å; E247-V271 CarbonylContact C-O 3.52Å; E247-V271 VanDerWaalsContact CA-O 3.24Å; E247-V271 WeakPolarHBondContact CA-O 3.13Å; E247-S272 WeakPolarHBondContact OE1-CA 3.43Å; E247-K273 VanDerWaalsContact CD-N 3.3Å; E247-K273 HydrophobicContact CG-CB 4.22Å; E247-K273 WeakPolarHBondContact OE1-CB 3.47Å; E247-K273 PolarHBondContact OE1-N 3.39Å
248L98.8Very high98.1Very high1 Ų121.6 Ų21.61%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-158.1159.9-170.56574.9000113.4P217 F219 F241 V242 F246 I250 V271P217-L248 HydrophobicContact CB-CB 4.47Å; P217-L248 HydrophobicContact CG-CB 3.68Å; P217-L248 HydrophobicContact CG-CD2 4.31Å; P217-L248 WeakPolarHBondContact O-CB 3.44Å; F219-L248 HydrophobicContact CD2-CD2 4.29Å; F219-L248 HydrophobicContact CE2-CD2 4.1Å; F241-L248 HydrophobicContact CB-CD2 3.75Å; V242-L248 HydrophobicContact CG2-CD1 4.24Å; V242-L248 HydrophobicContact CG2-CD2 3.77Å; V242-L248 HydrophobicContact CG2-CG 4.15Å; F246-L248 HydrophobicContact CB-CD2 4.12Å; L248-I250 HydrophobicContact CD1-CD1 3.75Å; L248-I250 HydrophobicContact CD1-CG1 3.41Å; L248-I250 VanDerWaalsContact CD1-CG1 3.41Å; L248-V271 HydrophobicContact CD1-CB 4.15Å; L248-V271 HydrophobicContact CD1-CG2 3.82Å; L248-V271 HydrophobicContact CG-CB 4.13Å; L248-V271 HydrophobicContact CG-CG2 4.29Å; L248-V271 PolarHBondContact N-O 2.73Å; L248-V271 PolarHBondContact O-N 2.74Å
249F98.9Very high98Very high9 Ų922.4 Ų22.44%0.03913%0.131CC..EExtended strand (participates in β ladder)trans-110.2147.4171.6-75.72.5000111.2F116 L117 F216 P217 F218 F219 L268 T269 V270 M285F116-F249 HydrophobicContact CB-CE2 4.49Å; F116-F249 AromaticContact CD1-CE2 3.86Å; F116-F249 HydrophobicContact CD1-CE2 3.86Å; F116-F249 AromaticContact CD1-CZ 3.5Å; F116-F249 HydrophobicContact CD1-CZ 3.5Å; F116-F249 VanDerWaalsContact CD1-CZ 3.5Å; F116-F249 AromaticContact CE1-CZ 3.88Å; F116-F249 HydrophobicContact CE1-CZ 3.88Å; F116-F249 HydrophobicContact CG-CE2 4.47Å; F116-F249 HydrophobicContact CG-CZ 4.26Å; L117-F249 HydrophobicContact CD1-CD2 4.04Å; L117-F249 HydrophobicContact CD1-CE2 4.15Å; L117-F249 HydrophobicContact CD2-CD2 4.38Å; L117-F249 HydrophobicContact CD2-CE2 3.88Å; L117-F249 HydrophobicContact CD2-CZ 4.25Å; L117-F249 HydrophobicContact CG-CD2 4.15Å; L117-F249 HydrophobicContact CG-CE2 3.73Å; F216-F249 HydrophobicContact CE1-CB 4.27Å; F216-F249 HydrophobicContact CE1-CD1 4.49Å; F216-F249 HydrophobicContact CE1-CD2 4.31Å; F216-F249 HydrophobicContact CE1-CG 4.11Å; F216-F249 HydrophobicContact CZ-CB 4.39Å; F216-F249 AromaticContact CZ-CD1 3.88Å; F216-F249 HydrophobicContact CZ-CD1 3.88Å; F216-F249 HydrophobicContact CZ-CD2 4.4Å; F216-F249 HydrophobicContact CZ-CE1 4.21Å; F216-F249 AromaticContact CZ-CG 3.97Å; F216-F249 HydrophobicContact CZ-CG 3.97Å; P217-F249 PolarHBondContact O-N 2.94Å; F218-F249 HydrophobicContact CB-CB 4.48Å; F218-F249 HydrophobicContact CD1-CB 4.32Å; F218-F249 HydrophobicContact CD1-CD2 4.31Å; F218-F249 HydrophobicContact CD2-CB 3.47Å; F218-F249 VanDerWaalsContact CD2-CB 3.47Å; F218-F249 HydrophobicContact CE1-CB 4.45Å; F218-F249 HydrophobicContact CE1-CD2 4.05Å; F218-F249 HydrophobicContact CE2-CB 3.61Å; F218-F249 HydrophobicContact CE2-CD2 4.48Å; F218-F249 HydrophobicContact CG-CB 3.84Å; F218-F249 HydrophobicContact CZ-CB 4.11Å; F218-F249 HydrophobicContact CZ-CD2 4.13Å; F219-F249 PolarHBondContact N-O 3.26Å; F249-L268 HydrophobicContact CB-CD1 4.04Å; F249-L268 HydrophobicContact CD2-CD1 4.31Å; F249-L268 HydrophobicContact CD2-CD2 4.49Å; F249-L268 HydrophobicContact CG-CD1 4.26Å; F249-T269 WeakPolarHBondContact CA-O 3.35Å; F249-V270 HydrophobicContact CD1-CB 4.3Å; F249-V270 HydrophobicContact CD1-CG1 4.19Å; F249-V270 HydrophobicContact CD1-CG2 3.89Å; F249-V270 HydrophobicContact CE1-CB 4.16Å; F249-V270 HydrophobicContact CE1-CG1 3.74Å; F249-V270 HydrophobicContact CE1-CG2 3.65Å; F249-V270 HydrophobicContact CZ-CG2 4.28Å; F249-M285 HydrophobicContact CE2-CE 3.92Å; F249-M285 HydrophobicContact CZ-CE 3.81Å
250I98.9Very high98Very high0 Ų021.2 Ų21.20%013%0.127CC..EExtended strand (participates in β ladder)trans-132.2109.4175.8-46160.3000108.6A85 L86 F219 I238 L248 Q252 L268 T269A85-I250 HydrophobicContact CB-CD1 4.16Å; A85-I250 HydrophobicContact CB-CG2 4.49Å; L86-I250 HydrophobicContact CD2-CD1 3.76Å; L86-I250 HydrophobicContact CG-CD1 4.32Å; F219-I250 HydrophobicContact CB-CG1 4.5Å; F219-I250 HydrophobicContact CB-CG2 4.27Å; F219-I250 CarbonylContact O-C 3.55Å; F219-I250 WeakPolarHBondContact O-CA 3.38Å; I238-I250 HydrophobicContact CD1-CG2 3.82Å; I238-I250 HydrophobicContact CG2-CD1 3.39Å; I238-I250 HydrophobicContact CG2-CG1 3.97Å; L248-I250 HydrophobicContact CD1-CD1 3.75Å; L248-I250 HydrophobicContact CD1-CG1 3.41Å; L248-I250 VanDerWaalsContact CD1-CG1 3.41Å; I250-Q252 HydrophobicContact CG2-CG 3.86Å; I250-Q252 PolarHBondContact O-N 3.29Å; I250-L268 WeakPolarHBondContact O-CA 3.36Å; I250-T269 HydrophobicContact CD1-CG2 4.15Å; I250-T269 PolarHBondContact N-O 2.9Å; I250-T269 PolarHBondContact O-N 2.95Å
251A98.9Very high97.9Very high0 Ų022.1 Ų22.10%013%0.13CC..EExtended strand (participates in β ladder)trans-84.1100.3169.900000109.6A109 L110 F218 F219 S221A109-A251 HydrophobicContact CB-CB 3.68Å; L110-A251 HydrophobicContact CD2-CB 3.86Å; L110-A251 HydrophobicContact CG-CB 3.73Å; F218-A251 HydrophobicContact CE2-CB 3.8Å; F218-A251 HydrophobicContact CZ-CB 4.44Å; F219-A251 PolarHBondContact O-N 3.15Å; S221-A251 PolarHBondContact N-O 3.42Å
252Q98.6Very high97.8Very high4 Ų428.2 Ų28.22%0.01916%0.162CC..EExtended strand (participates in β ladder)trans-90.4139.7176.5-61.6179-75.100111.4A81 A85 S221 I250 G266 N267 T269A81-Q252 PolarHBondContact O-NE2 3.44Å; A81-Q252 PolarHBondContact O-OE1 3.16Å; A81-Q252 VanDerWaalsContact O-OE1 3.12Å; A85-Q252 HydrophobicContact CB-CG 4.39Å; S221-Q252 WeakPolarHBondContact O-CA 3.41Å; I250-Q252 HydrophobicContact CG2-CG 3.86Å; I250-Q252 PolarHBondContact O-N 3.29Å; Q252-G266 CarbonylContact O-C 3.56Å; Q252-G266 WeakPolarHBondContact O-CA 3.27Å; Q252-N267 HydrophobicContact CB-CB 4.33Å; Q252-N267 WeakPolarHBondContact CB-O 3.39Å; Q252-N267 PolarHBondContact N-O 3.03Å; Q252-N267 PolarHBondContact O-N 3.42Å; Q252-N267 PolarHBondContact OE1-ND2 2.82Å; Q252-N267 VanDerWaalsContact OE1-ND2 3.17Å; Q252-T269 PolarHBondContact OE1-OG1 2.72Å
253S98.7Very high97.8Very high6 Ų631.3 Ų31.34%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-122.2132.8172.8-169.10000111.1G106 S221 S255G106-S253 PolarHBondContact N-OG 2.96Å; S221-S253 PolarHBondContact O-N 3.45Å; S253-S255 PolarHBondContact OG-N 2.99Å; S253-S255 PolarHBondContact OG-OG 3.29Å
254F98.6Very high97.8Very high2 Ų231.5 Ų31.51%0.00917%0.165CC..  trans-98.79.2173.7-61.6-77.5000112.9F77 A81 K256 N257 F258 V265 N267 V304F77-F254 AromaticContact CE2-CD2 3.88Å; F77-F254 HydrophobicContact CE2-CD2 3.88Å; F77-F254 AromaticContact CE2-CE2 3.6Å; F77-F254 HydrophobicContact CE2-CE2 3.6Å; F77-F254 HydrophobicContact CE2-CZ 4.31Å; F77-F254 AromaticContact CZ-CD2 3.86Å; F77-F254 HydrophobicContact CZ-CD2 3.86Å; F77-F254 AromaticContact CZ-CE2 3.53Å; F77-F254 HydrophobicContact CZ-CE2 3.53Å; A81-F254 HydrophobicContact CB-CE2 3.87Å; A81-F254 HydrophobicContact CB-CZ 3.58Å; F254-K256 VanDerWaalsContact C-N 3.33Å; F254-K256 PolarHBondContact O-N 3.02Å; F254-N257 VanDerWaalsContact CA-OD1 3.28Å; F254-N257 WeakPolarHBondContact CA-OD1 3.37Å; F254-F258 HydrophobicContact CB-CB 4.38Å; F254-F258 HydrophobicContact CB-CD2 4.35Å; F254-F258 AromaticContact CD1-CD2 3.71Å; F254-F258 HydrophobicContact CD1-CD2 3.71Å; F254-F258 AromaticContact CD1-CE2 3.95Å; F254-F258 HydrophobicContact CD1-CE2 3.95Å; F254-F258 HydrophobicContact CE1-CE2 4.39Å; F254-F258 HydrophobicContact CG-CD2 4.46Å; F254-F258 WeakPolarHBondContact O-CB 3.43Å; F254-F258 PolarHBondContact O-N 3.05Å; F254-V265 HydrophobicContact CB-CB 4.16Å; F254-V265 HydrophobicContact CB-CG1 4.35Å; F254-V265 HydrophobicContact CD2-CG1 3.97Å; F254-V265 HydrophobicContact CG-CG1 4.49Å; F254-V265 PolarHBondContact N-O 3.2Å; F254-N267 HydrophobicContact CE2-CB 4.32Å; F254-V304 HydrophobicContact CB-CG2 4.14Å; F254-V304 HydrophobicContact CD1-CG1 4.07Å; F254-V304 HydrophobicContact CD1-CG2 4.45Å; F254-V304 HydrophobicContact CE1-CG1 4.03Å; F254-V304 HydrophobicContact CE2-CG1 4.48Å; F254-V304 HydrophobicContact CG-CG1 4.31Å; F254-V304 HydrophobicContact CG-CG2 4.15Å; F254-V304 HydrophobicContact CZ-CG1 4.24Å
255S98.1Very high97.9Very high2 Ų228.4 Ų28.41%0.01415%0.151CC..THydrogen-bonded Turntrans-64-34.8-178.8-68.10000113.5S253 G259 L260 Y261 R264S253-S255 PolarHBondContact OG-N 2.99Å; S253-S255 PolarHBondContact OG-OG 3.29Å; S255-G259 CarbonylContact O-C 3.57Å; S255-G259 WeakPolarHBondContact O-CA 3.17Å; S255-L260 PolarHBondContact O-N 3.48Å; S255-Y261 VanDerWaalsContact O-CD1 3.31Å; S255-Y261 WeakPolarHBondContact O-CD1 3.32Å; S255-Y261 VanDerWaalsContact O-CE1 3.27Å; S255-Y261 WeakPolarHBondContact O-CE1 3.38Å; S255-Y261 WeakPolarHBondContact O-CE2 3.49Å; S255-Y261 VanDerWaalsContact O-CZ 3.32Å; S255-R264 PolarHBondContact OG-NH1 2.86Å; S255-R264 VanDerWaalsContact OG-NH1 3.13Å
256K96.6Very high98Very high39 Ų3925.8 Ų25.817%0.1712%0.124CC..THydrogen-bonded Turntrans-99-55.2-172.4-76.176.3-179.4-176.70111.7Y223 F254 F258 G259 Y261Y223-K256 HydrophobicContact CD1-CB 4.34Å; Y223-K256 HydrophobicContact CD1-CG 4.13Å; Y223-K256 HydrophobicContact CE1-CD 4.18Å; Y223-K256 HydrophobicContact CE1-CG 3.82Å; F254-K256 VanDerWaalsContact C-N 3.33Å; F254-K256 PolarHBondContact O-N 3.02Å; K256-F258 VanDerWaalsContact C-N 3.31Å; K256-F258 PolarHBondContact O-N 3.45Å; K256-G259 PolarHBondContact O-N 2.92Å; K256-G259 VanDerWaalsContact O-N 3.13Å; K256-Y261 HydrophobicContact CD-CE1 4.23Å; K256-Y261 HydrophobicContact CG-CE1 3.99Å
257N96.8Very high98Very high4 Ų425 Ų252%0.02112%0.121CC..THydrogen-bonded Turntrans-68.2-24.9-177.459.15.3000113.9Q224 F254 W317 V321Q224-N257 WeakPolarHBondContact O-CB 3.4Å; Q224-N257 PolarHBondContact O-ND2 3.02Å; F254-N257 VanDerWaalsContact CA-OD1 3.28Å; F254-N257 WeakPolarHBondContact CA-OD1 3.37Å; N257-W317 HydrophobicContact CB-CZ2 4.13Å; N257-W317 PolarHBondContact O-NE1 3.39Å; N257-V321 HydrophobicContact CB-CG2 4.35Å; N257-V321 WeakPolarHBondContact O-CG2 3.23Å
258F98.3Very high98.1Very high1 Ų120.7 Ų20.70%0.00410%0.1CC..SBendtrans-101.9-7168.7-89.5-103.2000113.6V51 F254 K256 L260 V304 T307 L308 W317V51-F258 HydrophobicContact CG2-CD1 4.01Å; F254-F258 HydrophobicContact CB-CB 4.38Å; F254-F258 HydrophobicContact CB-CD2 4.35Å; F254-F258 AromaticContact CD1-CD2 3.71Å; F254-F258 HydrophobicContact CD1-CD2 3.71Å; F254-F258 AromaticContact CD1-CE2 3.95Å; F254-F258 HydrophobicContact CD1-CE2 3.95Å; F254-F258 HydrophobicContact CE1-CE2 4.39Å; F254-F258 HydrophobicContact CG-CD2 4.46Å; F254-F258 WeakPolarHBondContact O-CB 3.43Å; F254-F258 PolarHBondContact O-N 3.05Å; K256-F258 VanDerWaalsContact C-N 3.31Å; K256-F258 PolarHBondContact O-N 3.45Å; F258-L260 HydrophobicContact CB-CB 4.39Å; F258-L260 HydrophobicContact CB-CD1 3.87Å; F258-L260 HydrophobicContact CB-CG 3.85Å; F258-L260 HydrophobicContact CD1-CD1 4.25Å; F258-L260 HydrophobicContact CG-CD1 4.39Å; F258-L260 PolarHBondContact O-N 3.04Å; F258-V304 HydrophobicContact CD1-CG2 3.95Å; F258-V304 HydrophobicContact CD2-CG2 4.31Å; F258-V304 HydrophobicContact CE1-CB 4.36Å; F258-V304 HydrophobicContact CE1-CG1 4.44Å; F258-V304 HydrophobicContact CE1-CG2 4.05Å; F258-V304 HydrophobicContact CE2-CG1 4.05Å; F258-V304 HydrophobicContact CE2-CG2 4.39Å; F258-V304 HydrophobicContact CG-CG2 4.09Å; F258-V304 HydrophobicContact CZ-CB 4.35Å; F258-V304 HydrophobicContact CZ-CG1 3.94Å; F258-V304 HydrophobicContact CZ-CG2 4.28Å; F258-T307 HydrophobicContact CE1-CG2 3.67Å; F258-T307 HydrophobicContact CZ-CG2 3.79Å; F258-L308 HydrophobicContact CE2-CD2 4.04Å; F258-L308 HydrophobicContact CE2-CG 4.45Å; F258-L308 HydrophobicContact CZ-CD2 3.79Å; F258-L308 HydrophobicContact CZ-CG 4.03Å; F258-W317 AromaticContact CD2-CE2 3.58Å; F258-W317 AromaticContact CD2-CZ2 3.73Å; F258-W317 HydrophobicContact CD2-CZ2 3.73Å; F258-W317 AromaticContact CD2-NE1 3.27Å; F258-W317 VanDerWaalsContact CD2-NE1 3.27Å; F258-W317 AromaticContact CE1-CD1 3.89Å; F258-W317 HydrophobicContact CE1-CG 4.35Å; F258-W317 AromaticContact CE2-CD1 3.92Å; F258-W317 AromaticContact CE2-CD2 3.87Å; F258-W317 HydrophobicContact CE2-CD2 3.87Å; F258-W317 AromaticContact CE2-CE2 3.19Å; F258-W317 HydrophobicContact CE2-CG 4.27Å; F258-W317 HydrophobicContact CE2-CH2 4.16Å; F258-W317 AromaticContact CE2-CZ2 3.37Å; F258-W317 HydrophobicContact CE2-CZ2 3.37Å; F258-W317 AromaticContact CE2-NE1 3.28Å; F258-W317 VanDerWaalsContact CE2-NE1 3.28Å; F258-W317 AromaticContact CG-NE1 3.67Å; F258-W317 AromaticContact CZ-CD1 3.79Å; F258-W317 AromaticContact CZ-CD2 3.95Å; F258-W317 HydrophobicContact CZ-CD2 3.95Å; F258-W317 AromaticContact CZ-CE2 3.72Å; F258-W317 AromaticContact CZ-CG 3.98Å; F258-W317 HydrophobicContact CZ-CG 3.98Å; F258-W317 HydrophobicContact CZ-CZ2 4.28Å; F258-W317 AromaticContact CZ-NE1 3.65Å
259G97Very high98.1Very high16 Ų1620.6 Ų20.617%0.16510%0.1CC..  trans67.614.8-172.800000114.6S255 K256 Y261S255-G259 CarbonylContact O-C 3.57Å; S255-G259 WeakPolarHBondContact O-CA 3.17Å; K256-G259 PolarHBondContact O-N 2.92Å; K256-G259 VanDerWaalsContact O-N 3.13Å; G259-Y261 VanDerWaalsContact C-N 3.29Å; G259-Y261 WeakPolarHBondContact O-CD2 3.35Å; G259-Y261 PolarHBondContact O-N 2.81Å; G259-Y261 VanDerWaalsContact O-N 3.14Å
260L98.1Very high98.1Very high9 Ų920.3 Ų20.35%0.04710%0.099CC..  trans-89.956.8-177.1-63.8176.9000111.6V51 S255 F258 E263 V265 I303 V304V51-L260 HydrophobicContact CG1-CD2 3.92Å; S255-L260 PolarHBondContact O-N 3.48Å; F258-L260 HydrophobicContact CB-CB 4.39Å; F258-L260 HydrophobicContact CB-CD1 3.87Å; F258-L260 HydrophobicContact CB-CG 3.85Å; F258-L260 HydrophobicContact CD1-CD1 4.25Å; F258-L260 HydrophobicContact CG-CD1 4.39Å; F258-L260 PolarHBondContact O-N 3.04Å; L260-E263 HydrophobicContact CB-CB 4.08Å; L260-E263 HydrophobicContact CB-CG 4.23Å; L260-E263 HydrophobicContact CD2-CG 3.96Å; L260-V265 HydrophobicContact CD1-CG2 4.3Å; L260-I303 HydrophobicContact CD1-CB 4.43Å; L260-I303 HydrophobicContact CD1-CG2 4.11Å; L260-I303 HydrophobicContact CD2-CD1 4.47Å; L260-V304 HydrophobicContact CD1-CG2 3.83Å
261Y96.6Very high98.1Very high57 Ų5720.4 Ų20.422%0.22410%0.099CC..THydrogen-bonded Turntrans-61.4-47.1-172.4-60.2-89.2000113A37 Y38 S255 K256 G259 R264A37-Y261 HydrophobicContact CB-CD1 4.27Å; A37-Y261 HydrophobicContact CB-CE1 3.83Å; A37-Y261 HydrophobicContact CB-CE2 4.49Å; Y38-Y261 WeakPolarHBondContact CB-OH 3.25Å; Y38-Y261 PolarHBondContact N-OH 3.21Å; S255-Y261 VanDerWaalsContact O-CD1 3.31Å; S255-Y261 WeakPolarHBondContact O-CD1 3.32Å; S255-Y261 VanDerWaalsContact O-CE1 3.27Å; S255-Y261 WeakPolarHBondContact O-CE1 3.38Å; S255-Y261 WeakPolarHBondContact O-CE2 3.49Å; S255-Y261 VanDerWaalsContact O-CZ 3.32Å; K256-Y261 HydrophobicContact CD-CE1 4.23Å; K256-Y261 HydrophobicContact CG-CE1 3.99Å; G259-Y261 VanDerWaalsContact C-N 3.29Å; G259-Y261 WeakPolarHBondContact O-CD2 3.35Å; G259-Y261 PolarHBondContact O-N 2.81Å; G259-Y261 VanDerWaalsContact O-N 3.14Å; Y261-R264 PolarHBondContact O-NH1 2.94Å
262N95.2Very high98Very high128 Ų12820.5 Ų20.568%0.68410%0.1SC*.THydrogen-bonded Turntrans-91.6-15.1-175.162.7-27.4000113.7R264N262-R264 WeakPolarHBondContact O-CG 3.48Å; N262-R264 PolarHBondContact O-N 2.87Å
263E97.9Very high97.9Very high67 Ų6727 Ų2731%0.31313%0.128SC..THydrogen-bonded Turntrans-73.3-12.3174-63.5-57.2146.700113.5L260 V265L260-E263 HydrophobicContact CB-CB 4.08Å; L260-E263 HydrophobicContact CB-CG 4.23Å; L260-E263 HydrophobicContact CD2-CG 3.96Å; E263-V265 HydrophobicContact CB-CG2 3.76Å; E263-V265 PolarHBondContact O-N 2.91Å
264R98.2Very high97.8Very high85 Ų8529 Ų2932%0.32114%0.139SC..THydrogen-bonded Turntrans53.450.5176.4-48-48.1-55.6126.77.5112.7L104 G105 S255 Y261 N262L104-R264 CarbonylContact C-O 3.47Å; L104-R264 VanDerWaalsContact CA-O 3.26Å; L104-R264 WeakPolarHBondContact CA-O 3.43Å; L104-R264 HydrophobicContact CB-CB 4.35Å; L104-R264 HydrophobicContact CD2-CB 4.42Å; L104-R264 PolarHBondContact O-NH2 2.98Å; G105-R264 VanDerWaalsContact N-C 3.32Å; G105-R264 PolarHBondContact N-O 3.42Å; S255-R264 PolarHBondContact OG-NH1 2.86Å; S255-R264 VanDerWaalsContact OG-NH1 3.13Å; Y261-R264 PolarHBondContact O-NH1 2.94Å; N262-R264 WeakPolarHBondContact O-CG 3.48Å; N262-R264 PolarHBondContact O-N 2.87Å
265V98.7Very high97.8Very high4 Ų433 Ų332%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-94.3121.7179.4-166.40000110.7F77 F254 L260 E263 G300 V304F77-V265 HydrophobicContact CE2-CG1 3.6Å; F77-V265 HydrophobicContact CZ-CG1 3.63Å; F254-V265 HydrophobicContact CB-CB 4.16Å; F254-V265 HydrophobicContact CB-CG1 4.35Å; F254-V265 HydrophobicContact CD2-CG1 3.97Å; F254-V265 HydrophobicContact CG-CG1 4.49Å; F254-V265 PolarHBondContact N-O 3.2Å; L260-V265 HydrophobicContact CD1-CG2 4.3Å; E263-V265 HydrophobicContact CB-CG2 3.76Å; E263-V265 PolarHBondContact O-N 2.91Å; V265-G300 VanDerWaalsContact CG2-C 3.49Å; V265-G300 VanDerWaalsContact CG2-CA 3.42Å; V265-V304 HydrophobicContact CG1-CG2 3.99Å
266G98.7Very high97.8Very high0 Ų039 Ų390%019%0.187CC..EExtended strand (participates in β ladder)trans-153.1171.8176.900000111.9F77 A103 Q252F77-G266 WeakPolarHBondContact CE1-O 3.35Å; F77-G266 WeakPolarHBondContact CZ-O 3.28Å; A103-G266 PolarHBondContact N-O 3.17Å; A103-G266 CarbonylContact O-C 3.6Å; A103-G266 WeakPolarHBondContact O-CA 3.47Å; A103-G266 PolarHBondContact O-N 3.43Å; Q252-G266 CarbonylContact O-C 3.56Å; Q252-G266 WeakPolarHBondContact O-CA 3.27Å
267N98.9Very high97.8Very high0 Ų039.5 Ų39.50%019%0.192CC..EExtended strand (participates in β ladder)trans-145.8131.2-178.5-173.358.6000109.5F77 A81 V101 Q252 F254 T269F77-N267 HydrophobicContact CE1-CB 4.07Å; F77-N267 HydrophobicContact CZ-CB 4.15Å; A81-N267 HydrophobicContact CB-CB 3.87Å; V101-N267 CarbonylContact O-C 3.58Å; V101-N267 WeakPolarHBondContact O-CA 3.48Å; V101-N267 PolarHBondContact O-OD1 3.43Å; Q252-N267 HydrophobicContact CB-CB 4.33Å; Q252-N267 WeakPolarHBondContact CB-O 3.39Å; Q252-N267 PolarHBondContact N-O 3.03Å; Q252-N267 PolarHBondContact O-N 3.42Å; Q252-N267 PolarHBondContact OE1-ND2 2.82Å; Q252-N267 VanDerWaalsContact OE1-ND2 3.17Å; F254-N267 HydrophobicContact CE2-CB 4.32Å; N267-T269 PolarHBondContact ND2-OG1 3.03Å
268L98.9Very high97.9Very high0 Ų039.7 Ų39.70%019%0.193CC..EExtended strand (participates in β ladder)trans-95.3108.6166178.565.5000108.1A100 V101 A109 I112 F218 F249 I250 M285A100-L268 CarbonylContact C-O 3.48Å; A100-L268 WeakPolarHBondContact CA-O 3.24Å; V101-L268 HydrophobicContact CB-CB 4.38Å; V101-L268 PolarHBondContact N-O 2.79Å; V101-L268 PolarHBondContact O-N 2.77Å; A109-L268 HydrophobicContact CB-CB 3.97Å; I112-L268 HydrophobicContact CD1-CB 4.22Å; I112-L268 HydrophobicContact CD1-CD2 4.27Å; I112-L268 HydrophobicContact CG1-CB 4.41Å; I112-L268 HydrophobicContact CG1-CD2 3.77Å; F218-L268 HydrophobicContact CE2-CD1 3.77Å; F218-L268 HydrophobicContact CZ-CD1 3.85Å; F249-L268 HydrophobicContact CB-CD1 4.04Å; F249-L268 HydrophobicContact CD2-CD1 4.31Å; F249-L268 HydrophobicContact CD2-CD2 4.49Å; F249-L268 HydrophobicContact CG-CD1 4.26Å; I250-L268 WeakPolarHBondContact O-CA 3.36Å; L268-M285 HydrophobicContact CD2-CE 3.61Å; L268-M285 HydrophobicContact CD2-SD 4.29Å
269T98.9Very high97.9Very high0 Ų043.5 Ų43.50%022%0.217CC..EExtended strand (participates in β ladder)trans-88.3135.1171.6-54.80000109.4S82 L86 V98 F249 I250 Q252 N267S82-T269 PolarHBondContact OG-OG1 3.49Å; L86-T269 HydrophobicContact CD1-CG2 4.14Å; V98-T269 HydrophobicContact CG1-CG2 3.72Å; F249-T269 WeakPolarHBondContact CA-O 3.35Å; I250-T269 HydrophobicContact CD1-CG2 4.15Å; I250-T269 PolarHBondContact N-O 2.9Å; I250-T269 PolarHBondContact O-N 2.95Å; Q252-T269 PolarHBondContact OE1-OG1 2.72Å; N267-T269 PolarHBondContact ND2-OG1 3.03Å
270V98.8Very high97.9Very high2 Ų248.3 Ų48.31%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-113.8123.2176.2174.80000108.3V98 G99 F249 L278 V281 M285V98-V270 WeakPolarHBondContact CA-O 3.33Å; G99-V270 PolarHBondContact N-O 3.43Å; G99-V270 PolarHBondContact O-N 3.5Å; F249-V270 HydrophobicContact CD1-CB 4.3Å; F249-V270 HydrophobicContact CD1-CG1 4.19Å; F249-V270 HydrophobicContact CD1-CG2 3.89Å; F249-V270 HydrophobicContact CE1-CB 4.16Å; F249-V270 HydrophobicContact CE1-CG1 3.74Å; F249-V270 HydrophobicContact CE1-CG2 3.65Å; F249-V270 HydrophobicContact CZ-CG2 4.28Å; V270-L278 HydrophobicContact CB-CD1 4.26Å; V270-L278 HydrophobicContact CG1-CD1 3.93Å; V270-V281 HydrophobicContact CG1-CG1 4.01Å; V270-V281 HydrophobicContact CG2-CG1 4.3Å; V270-M285 HydrophobicContact CG2-CE 4.43Å
271V98.7Very high97.9Very high2 Ų249 Ų491%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-106.5115.9167.3-176.80000107.4L86 A92 V242 E247 L248L86-V271 HydrophobicContact CD1-CG2 4.08Å; L86-V271 HydrophobicContact CD2-CG2 4.37Å; A92-V271 HydrophobicContact CB-CG1 4.47Å; V242-V271 HydrophobicContact CG1-CG1 4.16Å; V242-V271 HydrophobicContact CG2-CB 4.49Å; V242-V271 HydrophobicContact CG2-CG1 4.27Å; V242-V271 HydrophobicContact CG2-CG2 3.95Å; E247-V271 CarbonylContact C-O 3.52Å; E247-V271 VanDerWaalsContact CA-O 3.24Å; E247-V271 WeakPolarHBondContact CA-O 3.13Å; L248-V271 HydrophobicContact CD1-CB 4.15Å; L248-V271 HydrophobicContact CD1-CG2 3.82Å; L248-V271 HydrophobicContact CG-CB 4.13Å; L248-V271 HydrophobicContact CG-CG2 4.29Å; L248-V271 PolarHBondContact N-O 2.73Å; L248-V271 PolarHBondContact O-N 2.74Å
272S98.1Very high98Very high2 Ų247.8 Ų47.81%0.01423%0.231CC..  trans-108174-178.664.30000111.6R97 E247 D274 L278R97-S272 WeakPolarHBondContact CB-O 3.35Å; R97-S272 VanDerWaalsContact CD-O 3.31Å; R97-S272 WeakPolarHBondContact CD-O 3.44Å; R97-S272 PolarHBondContact NH1-O 2.91Å; R97-S272 PolarHBondContact O-N 2.81Å; R97-S272 PolarHBondContact O-OG 2.8Å; E247-S272 WeakPolarHBondContact OE1-CA 3.43Å; S272-D274 PolarHBondContact OG-O 2.78Å; S272-D274 VanDerWaalsContact OG-O 3.06Å; S272-L278 WeakPolarHBondContact OG-CB 3.18Å
273K96.3Very high98.2Very high141 Ų14144 Ų4461%0.61322%0.215SC*.SBendtrans-67.3-37.2175.5-178.8-177.1175.4-172.80113.2R97 E247R97-K273 VanDerWaalsContact CD-C 3.41Å; R97-K273 WeakPolarHBondContact CD-O 3.39Å; E247-K273 VanDerWaalsContact CD-N 3.3Å; E247-K273 HydrophobicContact CG-CB 4.22Å; E247-K273 WeakPolarHBondContact OE1-CB 3.47Å; E247-K273 PolarHBondContact OE1-N 3.39Å
274D97.3Very high98.2Very high49 Ų4943.2 Ų43.226%0.26221%0.211SC..SBendtrans-162.7166.8-175.955.356.4000110.7S272 E276 N277 L278S272-D274 PolarHBondContact OG-O 2.78Å; S272-D274 VanDerWaalsContact OG-O 3.06Å; D274-E276 VanDerWaalsContact C-N 3.25Å; D274-E276 PolarHBondContact O-N 3.03Å; D274-E276 WeakPolarHBondContact OD1-CB 3.38Å; D274-E276 PolarHBondContact OD1-N 2.83Å; D274-N277 PolarHBondContact O-N 2.85Å; D274-N277 WeakPolarHBondContact OD1-CB 3.41Å; D274-N277 PolarHBondContact OD1-N 3.43Å; D274-N277 PolarHBondContact OD1-ND2 3.02Å; D274-N277 PolarHBondContact OD2-ND2 3.31Å; D274-L278 PolarHBondContact O-N 3.26Å
275N97.7Very high98.3Very high84 Ų8439.1 Ų39.145%0.44920%0.196SC..Hα-helixtrans-62.5-29.7-178.1-174.349000113.9N96 L278 T279N96-N275 HydrophobicContact CB-CB 3.88Å; N96-N275 VanDerWaalsContact O-CA 3.3Å; N96-N275 WeakPolarHBondContact O-CA 3.49Å; N96-N275 WeakPolarHBondContact O-CB 3.36Å; N96-N275 PolarHBondContact O-OD1 2.9Å; N275-L278 PolarHBondContact O-N 3.23Å; N275-T279 WeakPolarHBondContact O-CB 3.46Å; N275-T279 PolarHBondContact O-N 3.07Å; N275-T279 PolarHBondContact O-OG1 2.9Å
276E97.6Very high98.3Very high128 Ų12842.8 Ų42.860%0.59821%0.213SC*.Hα-helixtrans-68.3-47.1180-164.9-163.1136.700110.4D274 T279 R280D274-E276 VanDerWaalsContact C-N 3.25Å; D274-E276 PolarHBondContact O-N 3.03Å; D274-E276 WeakPolarHBondContact OD1-CB 3.38Å; D274-E276 PolarHBondContact OD1-N 2.83Å; E276-T279 PolarHBondContact O-N 3.24Å; E276-R280 PolarHBondContact O-N 3.29Å; E276-R280 IonicContact OE1-CZ 2.74Å; E276-R280 IonicContact OE1-NH1 3.75Å; E276-R280 PolarHBondContact OE1-NH1 3.32Å; E276-R280 IonicContact OE1-NH2 3.14Å
277N97.1Very high98.2Very high51 Ų5149.1 Ų49.127%0.27324%0.24SC..Hα-helixtrans-61.7-43.9172.4-77.3-68.3000111.3D274 T279 R280 V281D274-N277 PolarHBondContact O-N 2.85Å; D274-N277 WeakPolarHBondContact OD1-CB 3.41Å; D274-N277 PolarHBondContact OD1-N 3.43Å; D274-N277 PolarHBondContact OD1-ND2 3.02Å; D274-N277 PolarHBondContact OD2-ND2 3.31Å; N277-T279 VanDerWaalsContact C-N 3.32Å; N277-T279 PolarHBondContact O-N 2.88Å; N277-R280 VanDerWaalsContact CG-NH2 3.29Å; N277-R280 PolarHBondContact O-N 3.42Å; N277-R280 PolarHBondContact OD1-NH2 3.47Å; N277-V281 WeakPolarHBondContact O-CG2 3.38Å; N277-V281 PolarHBondContact O-N 3.29Å
278L98.4Very high98.2Very high8 Ų849.1 Ų49.14%0.04224%0.241CC..Hα-helixtrans-55.8-46.7177.9-17260.1000112.6N96 V98 V270 S272 D274 N275 R280 V281 L282N96-L278 WeakPolarHBondContact O-CD2 3.14Å; V98-L278 VanDerWaalsContact C-CD2 3.42Å; V98-L278 WeakPolarHBondContact O-CD2 3.45Å; V270-L278 HydrophobicContact CB-CD1 4.26Å; V270-L278 HydrophobicContact CG1-CD1 3.93Å; S272-L278 WeakPolarHBondContact OG-CB 3.18Å; D274-L278 PolarHBondContact O-N 3.26Å; N275-L278 PolarHBondContact O-N 3.23Å; L278-R280 VanDerWaalsContact C-N 3.3Å; L278-R280 PolarHBondContact O-N 3.19Å; L278-V281 PolarHBondContact O-N 2.78Å; L278-V281 VanDerWaalsContact O-N 3.15Å; L278-L282 HydrophobicContact CD1-CD1 4.36Å; L278-L282 HydrophobicContact CD1-CG 4.23Å; L278-L282 HydrophobicContact CG-CD1 4.04Å; L278-L282 HydrophobicContact CG-CG 4.29Å; L278-L282 WeakPolarHBondContact O-CG 3.44Å; L278-L282 PolarHBondContact O-N 2.72Å
279T98.4Very high98.2Very high81 Ų8149.1 Ų49.150%0.49724%0.241SC..Hα-helixtrans-59.9-42.2-178.3-59.90000111.1N275 E276 N277 S283N275-T279 WeakPolarHBondContact O-CB 3.46Å; N275-T279 PolarHBondContact O-N 3.07Å; N275-T279 PolarHBondContact O-OG1 2.9Å; E276-T279 PolarHBondContact O-N 3.24Å; N277-T279 VanDerWaalsContact C-N 3.32Å; N277-T279 PolarHBondContact O-N 2.88Å; T279-S283 PolarHBondContact O-N 3.17Å; T279-S283 VanDerWaalsContact O-N 3.09Å
280R98.1Very high98.2Very high116 Ų11655.7 Ų55.744%0.43827%0.265SS..Hα-helixtrans-63.4-46.5174.2-71.9-170.9-72-94.31.7112E276 N277 L278 L282 S283 Q284E276-R280 PolarHBondContact O-N 3.29Å; E276-R280 IonicContact OE1-CZ 2.74Å; E276-R280 IonicContact OE1-NH1 3.75Å; E276-R280 PolarHBondContact OE1-NH1 3.32Å; E276-R280 IonicContact OE1-NH2 3.14Å; N277-R280 VanDerWaalsContact CG-NH2 3.29Å; N277-R280 PolarHBondContact O-N 3.42Å; N277-R280 PolarHBondContact OD1-NH2 3.47Å; L278-R280 VanDerWaalsContact C-N 3.3Å; L278-R280 PolarHBondContact O-N 3.19Å; R280-L282 PolarHBondContact O-N 3.02Å; R280-S283 PolarHBondContact O-N 3.43Å; R280-S283 PolarHBondContact O-OG 3.37Å; R280-Q284 PolarHBondContact O-N 3.19Å
281V98.5Very high98.2Very high24 Ų2460.9 Ų60.915%0.14530%0.297CS..Hα-helixtrans-56.9-50.2178.7172.70000110.4F116 V270 N277 L278 S283 Q284 M285F116-V281 HydrophobicContact CD2-CG1 4.42Å; F116-V281 HydrophobicContact CE1-CG1 4.29Å; F116-V281 HydrophobicContact CE2-CB 4.26Å; F116-V281 HydrophobicContact CE2-CG1 3.79Å; F116-V281 HydrophobicContact CE2-CG2 4.42Å; F116-V281 HydrophobicContact CZ-CB 4.12Å; F116-V281 HydrophobicContact CZ-CG1 3.73Å; F116-V281 HydrophobicContact CZ-CG2 3.81Å; V270-V281 HydrophobicContact CG1-CG1 4.01Å; V270-V281 HydrophobicContact CG2-CG1 4.3Å; N277-V281 WeakPolarHBondContact O-CG2 3.38Å; N277-V281 PolarHBondContact O-N 3.29Å; L278-V281 PolarHBondContact O-N 2.78Å; L278-V281 VanDerWaalsContact O-N 3.15Å; V281-S283 VanDerWaalsContact C-N 3.34Å; V281-S283 PolarHBondContact O-N 3.01Å; V281-Q284 PolarHBondContact O-N 2.81Å; V281-Q284 VanDerWaalsContact O-N 3.17Å; V281-M285 HydrophobicContact CG1-CE 4.45Å; V281-M285 HydrophobicContact CG1-CG 4.35Å; V281-M285 WeakPolarHBondContact O-CG 3.45Å; V281-M285 PolarHBondContact O-N 2.85Å
282L98.7Very high98.1Very high31 Ų3164 Ų6416%0.16232%0.316CS..Hα-helixtrans-63-37.9-179.1-66.3-179.9000112.4L72 V101 L278 R280 Q284 M285 E286L72-L282 HydrophobicContact CD1-CB 4.15Å; L72-L282 HydrophobicContact CD1-CD2 4.3Å; V101-L282 HydrophobicContact CG2-CD2 4.32Å; L278-L282 HydrophobicContact CD1-CD1 4.36Å; L278-L282 HydrophobicContact CD1-CG 4.23Å; L278-L282 HydrophobicContact CG-CD1 4.04Å; L278-L282 HydrophobicContact CG-CG 4.29Å; L278-L282 WeakPolarHBondContact O-CG 3.44Å; L278-L282 PolarHBondContact O-N 2.72Å; R280-L282 PolarHBondContact O-N 3.02Å; L282-Q284 VanDerWaalsContact C-N 3.29Å; L282-Q284 PolarHBondContact O-N 3.15Å; L282-M285 WeakPolarHBondContact O-CB 3.15Å; L282-M285 PolarHBondContact O-N 3.32Å; L282-E286 WeakPolarHBondContact O-CG 3.4Å; L282-E286 PolarHBondContact O-N 3.23Å
283S98.6Very high98.1Very high49 Ų4966.5 Ų66.534%0.34333%0.325SS..Hα-helixtrans-63.1-33176.177.80000113.5T279 R280 V281 K287T279-S283 PolarHBondContact O-N 3.17Å; T279-S283 VanDerWaalsContact O-N 3.09Å; R280-S283 PolarHBondContact O-N 3.43Å; R280-S283 PolarHBondContact O-OG 3.37Å; V281-S283 VanDerWaalsContact C-N 3.34Å; V281-S283 PolarHBondContact O-N 3.01Å; S283-K287 PolarHBondContact O-N 3.32Å
284Q98.6Very high98.2Very high50 Ų5061.4 Ų61.423%0.23431%0.307CS..Hα-helixtrans-77.9-36.3175.2-67.3-65.6-15.300111.3F116 R280 V281 L282 E286 K287 I288F116-Q284 HydrophobicContact CD2-CB 4.19Å; F116-Q284 HydrophobicContact CE2-CB 3.91Å; R280-Q284 PolarHBondContact O-N 3.19Å; V281-Q284 PolarHBondContact O-N 2.81Å; V281-Q284 VanDerWaalsContact O-N 3.17Å; L282-Q284 VanDerWaalsContact C-N 3.29Å; L282-Q284 PolarHBondContact O-N 3.15Å; Q284-E286 VanDerWaalsContact C-N 3.27Å; Q284-E286 PolarHBondContact O-N 3.33Å; Q284-K287 PolarHBondContact O-N 3.49Å; Q284-I288 WeakPolarHBondContact O-CG1 3.3Å; Q284-I288 PolarHBondContact O-N 3.15Å
285M98.6Very high98.2Very high0 Ų060.6 Ų60.60%030%0.303CS..Hα-helixtrans-59.8-38.3171.7-70.1-68.1-170.800111.6L72 V101 F116 F249 L268 V270 V281 L282 K287 I288 V289L72-M285 HydrophobicContact CD2-CB 4.14Å; V101-M285 HydrophobicContact CG2-CB 3.88Å; V101-M285 HydrophobicContact CG2-CG 4.01Å; F116-M285 HydrophobicContact CB-CE 3.34Å; F116-M285 HydrophobicContact CB-SD 3.77Å; F116-M285 HydrophobicContact CD1-CE 4.04Å; F116-M285 HydrophobicContact CD2-CE 3.72Å; F116-M285 HydrophobicContact CD2-CG 4.19Å; F116-M285 HydrophobicContact CD2-SD 4Å; F116-M285 HydrophobicContact CG-CE 3.41Å; F116-M285 VanDerWaalsContact CG-CE 3.41Å; F116-M285 HydrophobicContact CG-SD 4.1Å; F249-M285 HydrophobicContact CE2-CE 3.92Å; F249-M285 HydrophobicContact CZ-CE 3.81Å; L268-M285 HydrophobicContact CD2-CE 3.61Å; L268-M285 HydrophobicContact CD2-SD 4.29Å; V270-M285 HydrophobicContact CG2-CE 4.43Å; V281-M285 HydrophobicContact CG1-CE 4.45Å; V281-M285 HydrophobicContact CG1-CG 4.35Å; V281-M285 WeakPolarHBondContact O-CG 3.45Å; V281-M285 PolarHBondContact O-N 2.85Å; L282-M285 WeakPolarHBondContact O-CB 3.15Å; L282-M285 PolarHBondContact O-N 3.32Å; M285-K287 VanDerWaalsContact C-N 3.33Å; M285-K287 PolarHBondContact O-N 3.05Å; M285-I288 PolarHBondContact O-N 3.36Å; M285-I288 HydrophobicContact SD-CD1 4.49Å; M285-V289 WeakPolarHBondContact O-CB 3.48Å; M285-V289 WeakPolarHBondContact O-CG2 3.43Å; M285-V289 PolarHBondContact O-N 2.8Å
286E98.6Very high98.3Very high81 Ų8156.8 Ų56.838%0.37928%0.283SS..Hα-helixtrans-57.9-45.1173.4-74.8-179.2160.500112I71 L72 L282 Q284 I288 V289 R290I71-E286 HydrophobicContact CB-CG 4.34Å; I71-E286 HydrophobicContact CG2-CB 3.98Å; I71-E286 HydrophobicContact CG2-CG 4.13Å; I71-E286 WeakPolarHBondContact CG2-O 3.38Å; L72-E286 HydrophobicContact CD1-CG 4.03Å; L72-E286 HydrophobicContact CD2-CB 4.4Å; L72-E286 HydrophobicContact CD2-CG 3.53Å; L72-E286 HydrophobicContact CG-CG 3.58Å; L282-E286 WeakPolarHBondContact O-CG 3.4Å; L282-E286 PolarHBondContact O-N 3.23Å; Q284-E286 VanDerWaalsContact C-N 3.27Å; Q284-E286 PolarHBondContact O-N 3.33Å; E286-I288 PolarHBondContact O-N 2.89Å; E286-V289 PolarHBondContact O-N 2.95Å; E286-R290 WeakPolarHBondContact O-CB 3.37Å; E286-R290 PolarHBondContact O-N 3.07Å
287K98.6Very high98.3Very high132 Ų13253.8 Ų53.857%0.57428%0.275SS*.Hα-helixtrans-64.3-41.1178-68-178.2178.7178.60112.3S283 Q284 M285 T291S283-K287 PolarHBondContact O-N 3.32Å; Q284-K287 PolarHBondContact O-N 3.49Å; M285-K287 VanDerWaalsContact C-N 3.33Å; M285-K287 PolarHBondContact O-N 3.05Å; K287-T291 PolarHBondContact O-N 3.37Å; K287-T291 PolarHBondContact O-OG1 3.19Å
288I98.6Very high98.3Very high1 Ų152.3 Ų52.31%0.00527%0.268CS..Hα-helixtrans-61.1-57.4175.5-67.9167.9000108.8I112 D115 F116 Q284 M285 E286 R290 T291 T292I112-I288 HydrophobicContact CB-CG2 4.26Å; I112-I288 HydrophobicContact CG2-CG2 4.2Å; D115-I288 HydrophobicContact CB-CD1 4.36Å; D115-I288 HydrophobicContact CB-CG2 4.07Å; F116-I288 HydrophobicContact CB-CD1 3.85Å; F116-I288 HydrophobicContact CD2-CD1 4.32Å; Q284-I288 WeakPolarHBondContact O-CG1 3.3Å; Q284-I288 PolarHBondContact O-N 3.15Å; M285-I288 PolarHBondContact O-N 3.36Å; M285-I288 HydrophobicContact SD-CD1 4.49Å; E286-I288 PolarHBondContact O-N 2.89Å; I288-R290 VanDerWaalsContact C-N 3.33Å; I288-R290 PolarHBondContact O-N 3.02Å; I288-T291 PolarHBondContact O-N 3.13Å; I288-T291 VanDerWaalsContact O-N 3.15Å; I288-T291 PolarHBondContact O-OG1 2.84Å; I288-T291 VanDerWaalsContact O-OG1 3.07Å; I288-T292 PolarHBondContact O-N 3.41Å; I288-T292 PolarHBondContact O-OG1 3.18Å
289V98.7Very high98.3Very high0 Ų055.2 Ų55.20%028%0.282CS..Hα-helixtrans-57.6-44-179170.80000112.3I71 V101 I112 M285 E286 T291 T292 W293 S294I71-V289 HydrophobicContact CG2-CB 3.93Å; I71-V289 HydrophobicContact CG2-CG1 3.81Å; I71-V289 WeakPolarHBondContact O-CG1 3.28Å; V101-V289 HydrophobicContact CG1-CG2 3.67Å; I112-V289 HydrophobicContact CD1-CG2 4.38Å; M285-V289 WeakPolarHBondContact O-CB 3.48Å; M285-V289 WeakPolarHBondContact O-CG2 3.43Å; M285-V289 PolarHBondContact O-N 2.8Å; E286-V289 PolarHBondContact O-N 2.95Å; V289-T291 PolarHBondContact O-N 3.24Å; V289-T292 PolarHBondContact O-N 3Å; V289-T292 VanDerWaalsContact O-N 3.15Å; V289-W293 VanDerWaalsContact CG1-NE1 3.32Å; V289-W293 HydrophobicContact CG2-CZ2 4.33Å; V289-W293 PolarHBondContact O-N 3.25Å; V289-S294 PolarHBondContact O-N 3.17Å
290R98.6Very high98.2Very high138 Ų13851.5 Ų51.552%0.52126%0.26SS..Hα-helixtrans-56.6-35.9-178.817961.5-175.9107.5-9.3112.6I71 E286 I288 S294I71-R290 HydrophobicContact CD1-CB 4.42Å; I71-R290 HydrophobicContact CG2-CB 4.38Å; E286-R290 WeakPolarHBondContact O-CB 3.37Å; E286-R290 PolarHBondContact O-N 3.07Å; I288-R290 VanDerWaalsContact C-N 3.33Å; I288-R290 PolarHBondContact O-N 3.02Å; R290-S294 PolarHBondContact NH1-OG 3.1Å; R290-S294 WeakPolarHBondContact O-CA 3.21Å; R290-S294 PolarHBondContact O-N 3.35Å
291T97.9Very high98.3Very high110 Ų11046 Ų4668%0.67524%0.239SC*.Hα-helixtrans-93.7-16.9-17854.80000113.5K287 I288 V289K287-T291 PolarHBondContact O-N 3.37Å; K287-T291 PolarHBondContact O-OG1 3.19Å; I288-T291 PolarHBondContact O-N 3.13Å; I288-T291 VanDerWaalsContact O-N 3.15Å; I288-T291 PolarHBondContact O-OG1 2.84Å; I288-T291 VanDerWaalsContact O-OG1 3.07Å; V289-T291 PolarHBondContact O-N 3.24Å
292T97.6Very high98.3Very high67 Ų6746.2 Ų46.241%0.41124%0.237SC..Hα-helixtrans-86-49.1174.9-51.80000112.3I288 V289I288-T292 PolarHBondContact O-N 3.41Å; I288-T292 PolarHBondContact O-OG1 3.18Å; V289-T292 PolarHBondContact O-N 3Å; V289-T292 VanDerWaalsContact O-N 3.15Å
293W97.9Very high98.3Very high55 Ų5544.7 Ų44.721%0.20823%0.229CC..THydrogen-bonded Turntrans-148.615.2-178.258.365.4000114.4A103 L104 I112 V289 N295A103-W293 HydrophobicContact CB-CH2 4.37Å; A103-W293 HydrophobicContact CB-CZ2 4.4Å; L104-W293 HydrophobicContact CD1-CD2 4.13Å; L104-W293 HydrophobicContact CD1-CE3 3.73Å; L104-W293 HydrophobicContact CD1-CZ3 4.14Å; L104-W293 HydrophobicContact CG-CD2 4.26Å; L104-W293 HydrophobicContact CG-CE3 4.07Å; L104-W293 HydrophobicContact CG-CH2 4.41Å; L104-W293 HydrophobicContact CG-CZ3 4.16Å; I112-W293 HydrophobicContact CD1-CH2 4.37Å; I112-W293 HydrophobicContact CD1-CZ2 4.36Å; I112-W293 HydrophobicContact CG2-CH2 3.41Å; I112-W293 VanDerWaalsContact CG2-CH2 3.41Å; I112-W293 HydrophobicContact CG2-CZ2 3.99Å; I112-W293 HydrophobicContact CG2-CZ3 4.04Å; V289-W293 VanDerWaalsContact CG1-NE1 3.32Å; V289-W293 HydrophobicContact CG2-CZ2 4.33Å; V289-W293 PolarHBondContact O-N 3.25Å; W293-N295 VanDerWaalsContact C-N 3.28Å; W293-N295 PolarHBondContact O-N 3.07Å
294S98.3Very high98.3Very high34 Ų3442.4 Ų42.424%0.23821%0.213CC..SBendtrans68.1-71.1-177.5-170.40000114.5V289 R290V289-S294 PolarHBondContact O-N 3.17Å; R290-S294 PolarHBondContact NH1-OG 3.1Å; R290-S294 WeakPolarHBondContact O-CA 3.21Å; R290-S294 PolarHBondContact O-N 3.35Å
295N97.9Very high98.3Very high33 Ų3340.6 Ų40.618%0.17621%0.206CC..SBendtrans-152.5152.1176.152.276.8000108.9Y68 L69 W293Y68-N295 WeakPolarHBondContact CD1-ND2 3.47Å; Y68-N295 WeakPolarHBondContact CD1-OD1 3.35Å; L69-N295 WeakPolarHBondContact O-CB 3.4Å; W293-N295 VanDerWaalsContact C-N 3.28Å; W293-N295 PolarHBondContact O-N 3.07Å
296P98.2Very high98.3Very high4 Ų444.8 Ų44.83%0.02622%0.224CC..  trans-80.9162.3-170.932.9-36.1000113I71 G73 Q102I71-P296 WeakPolarHBondContact O-CD 3.28Å; G73-P296 VanDerWaalsContact CA-CG 3.45Å; Q102-P296 HydrophobicContact CB-CB 4.41Å; Q102-P296 HydrophobicContact CB-CG 3.89Å; Q102-P296 HydrophobicContact CG-CB 3.86Å; Q102-P296 HydrophobicContact CG-CG 3.76Å
297P98.2Very high98.3Very high65 Ų6541 Ų4142%0.42221%0.206SC..  trans-67.7144179.627.4-35.3000112.6Q102 L104Q102-P297 PolarHBondContact NE2-O 2.68Å; L104-P297 VanDerWaalsContact CD2-CD 3.43Å; L104-P297 HydrophobicContact CD2-CG 3.76Å
298S97.3Very high98.3Very high20 Ų2035.5 Ų35.514%0.1418%0.184CC..SBendtrans-89.2-33.9-172.761.40000115.1A301 R302S298-A301 PolarHBondContact O-N 3.46Å; S298-R302 WeakPolarHBondContact O-CG 3.44Å; S298-R302 PolarHBondContact O-N 3.31Å
299Q97.6Very high98.3Very high69 Ų6939.4 Ų39.432%0.32220%0.204SC..Hα-helixtrans-59.1-59.3-166.1-17263.413.100113.1A301 R302 I303Q299-A301 VanDerWaalsContact C-N 3.28Å; Q299-A301 PolarHBondContact O-N 3.35Å; Q299-R302 WeakPolarHBondContact O-CB 3.47Å; Q299-R302 PolarHBondContact O-N 3.28Å; Q299-R302 VanDerWaalsContact O-N 3.15Å; Q299-I303 PolarHBondContact O-N 3.38Å; Q299-I303 VanDerWaalsContact O-N 3.07Å
300G98.3Very high98.3Very high3 Ų340.8 Ų40.83%0.03121%0.214CC..Hα-helixtrans-63.4-32.4178.900000113.6V265 I303 V304V265-G300 VanDerWaalsContact CG2-C 3.49Å; V265-G300 VanDerWaalsContact CG2-CA 3.42Å; G300-I303 PolarHBondContact O-N 2.99Å; G300-V304 WeakPolarHBondContact O-CG2 3.42Å; G300-V304 PolarHBondContact O-N 2.76Å
301A98.6Very high98.2Very high1 Ų139.3 Ų39.31%0.00822%0.222CC..Hα-helixtrans-68.5-35.7174.800000112.6L74 F77 Q102 S298 Q299 S305L74-A301 HydrophobicContact CD2-CB 4.46Å; F77-A301 HydrophobicContact CB-CB 4.16Å; F77-A301 HydrophobicContact CD1-CB 4.15Å; F77-A301 HydrophobicContact CD2-CB 4.14Å; F77-A301 HydrophobicContact CG-CB 3.86Å; Q102-A301 VanDerWaalsContact NE2-CB 3.3Å; S298-A301 PolarHBondContact O-N 3.46Å; Q299-A301 VanDerWaalsContact C-N 3.28Å; Q299-A301 PolarHBondContact O-N 3.35Å; A301-S305 WeakPolarHBondContact O-CB 3.45Å; A301-S305 PolarHBondContact O-N 3.31Å
302R98.5Very high98.3Very high27 Ų2741.7 Ų41.710%0.10223%0.226CC..Hα-helixtrans-65.4-41.6172.6-73.8172.8178.1166.10.2111.3L58 N65 L74 S298 Q299 S305 K306L58-R302 HydrophobicContact CD1-CB 3.89Å; L58-R302 HydrophobicContact CD2-CB 4.03Å; N65-R302 PolarHBondContact O-NH1 2.89Å; N65-R302 PolarHBondContact O-NH2 3.09Å; L74-R302 HydrophobicContact CD2-CG 4.05Å; S298-R302 WeakPolarHBondContact O-CG 3.44Å; S298-R302 PolarHBondContact O-N 3.31Å; Q299-R302 WeakPolarHBondContact O-CB 3.47Å; Q299-R302 PolarHBondContact O-N 3.28Å; Q299-R302 VanDerWaalsContact O-N 3.15Å; R302-S305 PolarHBondContact O-N 2.73Å; R302-K306 VanDerWaalsContact O-CB 3.25Å; R302-K306 WeakPolarHBondContact O-CB 3.35Å; R302-K306 PolarHBondContact O-N 2.9Å
303I98.8Very high98.3Very high0 Ų039.2 Ų39.20%021%0.21CC..Hα-helixtrans-57.5-56175.2-65.3169.5000109.6V51 V54 E55 L58 L260 Q299 G300 S305 K306 T307V51-I303 HydrophobicContact CG1-CG2 4.18Å; V51-I303 HydrophobicContact CG2-CG2 4.27Å; V54-I303 HydrophobicContact CG1-CB 4.36Å; V54-I303 HydrophobicContact CG1-CG1 4.46Å; V54-I303 HydrophobicContact CG1-CG2 4.23Å; E55-I303 HydrophobicContact CG-CD1 3.74Å; E55-I303 HydrophobicContact CG-CG1 4.28Å; L58-I303 HydrophobicContact CD1-CG1 3.58Å; L260-I303 HydrophobicContact CD1-CB 4.43Å; L260-I303 HydrophobicContact CD1-CG2 4.11Å; L260-I303 HydrophobicContact CD2-CD1 4.47Å; Q299-I303 PolarHBondContact O-N 3.38Å; Q299-I303 VanDerWaalsContact O-N 3.07Å; G300-I303 PolarHBondContact O-N 2.99Å; I303-S305 PolarHBondContact O-N 2.55Å; I303-K306 PolarHBondContact O-N 3.21Å; I303-T307 WeakPolarHBondContact O-CB 3.44Å; I303-T307 PolarHBondContact O-N 2.88Å; I303-T307 PolarHBondContact O-OG1 3.14Å
304V98.8Very high98.3Very high0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-61.6-46.9-179.2177.40000111.1F77 F254 F258 L260 V265 G300 K306 T307 L308F77-V304 HydrophobicContact CD2-CB 3.86Å; F77-V304 HydrophobicContact CD2-CG1 3.83Å; F77-V304 HydrophobicContact CE2-CB 3.81Å; F77-V304 HydrophobicContact CE2-CG1 3.65Å; F77-V304 HydrophobicContact CE2-CG2 4.39Å; F254-V304 HydrophobicContact CB-CG2 4.14Å; F254-V304 HydrophobicContact CD1-CG1 4.07Å; F254-V304 HydrophobicContact CD1-CG2 4.45Å; F254-V304 HydrophobicContact CE1-CG1 4.03Å; F254-V304 HydrophobicContact CE2-CG1 4.48Å; F254-V304 HydrophobicContact CG-CG1 4.31Å; F254-V304 HydrophobicContact CG-CG2 4.15Å; F254-V304 HydrophobicContact CZ-CG1 4.24Å; F258-V304 HydrophobicContact CD1-CG2 3.95Å; F258-V304 HydrophobicContact CD2-CG2 4.31Å; F258-V304 HydrophobicContact CE1-CB 4.36Å; F258-V304 HydrophobicContact CE1-CG1 4.44Å; F258-V304 HydrophobicContact CE1-CG2 4.05Å; F258-V304 HydrophobicContact CE2-CG1 4.05Å; F258-V304 HydrophobicContact CE2-CG2 4.39Å; F258-V304 HydrophobicContact CG-CG2 4.09Å; F258-V304 HydrophobicContact CZ-CB 4.35Å; F258-V304 HydrophobicContact CZ-CG1 3.94Å; F258-V304 HydrophobicContact CZ-CG2 4.28Å; L260-V304 HydrophobicContact CD1-CG2 3.83Å; V265-V304 HydrophobicContact CG1-CG2 3.99Å; G300-V304 WeakPolarHBondContact O-CG2 3.42Å; G300-V304 PolarHBondContact O-N 2.76Å; V304-K306 PolarHBondContact O-N 3.01Å; V304-T307 PolarHBondContact O-N 3.4Å; V304-L308 HydrophobicContact CG1-CD1 3.48Å; V304-L308 VanDerWaalsContact CG1-CD1 3.48Å; V304-L308 HydrophobicContact CG1-CG 3.9Å; V304-L308 WeakPolarHBondContact O-CB 3.47Å; V304-L308 VanDerWaalsContact O-CG 3.26Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 3.37Å
305S98.6Very high98.4Very high13 Ų1339.4 Ų39.49%0.09122%0.215CC..Hα-helixtrans-59.2-48.1180-176.80000112.6E76 F77 A301 R302 I303 T307 L308 N309E76-S305 WeakPolarHBondContact CB-OG 3.29Å; F77-S305 PolarHBondContact N-OG 3.42Å; A301-S305 WeakPolarHBondContact O-CB 3.45Å; A301-S305 PolarHBondContact O-N 3.31Å; R302-S305 PolarHBondContact O-N 2.73Å; I303-S305 PolarHBondContact O-N 2.55Å; S305-T307 VanDerWaalsContact C-N 3.33Å; S305-T307 PolarHBondContact O-N 3.32Å; S305-L308 PolarHBondContact O-N 3.37Å; S305-N309 VanDerWaalsContact O-CB 3.28Å; S305-N309 WeakPolarHBondContact O-CB 3.3Å; S305-N309 PolarHBondContact O-N 2.89Å; S305-N309 PolarHBondContact O-ND2 3.44Å; S305-N309 PolarHBondContact OG-ND2 3.27Å
306K98.6Very high98.4Very high88 Ų8839.8 Ų39.838%0.38322%0.216SC..Hα-helixtrans-64.8-40-179.6-161.394172-167.40110.7V54 D61 R302 I303 V304 S310 L313V54-K306 HydrophobicContact CG1-CB 3.84Å; V54-K306 HydrophobicContact CG1-CG 4.22Å; D61-K306 IonicContact OD2-NZ 3.18Å; D61-K306 PolarHBondContact OD2-NZ 3.2Å; R302-K306 VanDerWaalsContact O-CB 3.25Å; R302-K306 WeakPolarHBondContact O-CB 3.35Å; R302-K306 PolarHBondContact O-N 2.9Å; I303-K306 PolarHBondContact O-N 3.21Å; V304-K306 PolarHBondContact O-N 3.01Å; K306-S310 WeakPolarHBondContact O-CB 3.47Å; K306-S310 PolarHBondContact O-N 2.94Å; K306-L313 HydrophobicContact CG-CD1 4.49Å
307T98.8Very high98.4Very high0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-63.4-51.5175-60.60000112V50 V54 F258 I303 V304 S305 L313 F314 W317V50-T307 HydrophobicContact CG2-CG2 3.97Å; V54-T307 WeakPolarHBondContact CG2-OG1 3.34Å; F258-T307 HydrophobicContact CE1-CG2 3.67Å; F258-T307 HydrophobicContact CZ-CG2 3.79Å; I303-T307 WeakPolarHBondContact O-CB 3.44Å; I303-T307 PolarHBondContact O-N 2.88Å; I303-T307 PolarHBondContact O-OG1 3.14Å; V304-T307 PolarHBondContact O-N 3.4Å; S305-T307 VanDerWaalsContact C-N 3.33Å; S305-T307 PolarHBondContact O-N 3.32Å; T307-L313 HydrophobicContact CG2-CB 4.3Å; T307-F314 PolarHBondContact O-N 3.31Å; T307-F314 VanDerWaalsContact O-N 3.15Å; T307-W317 HydrophobicContact CG2-CB 3.57Å; T307-W317 HydrophobicContact CG2-CG 3.99Å
308L98.4Very high98.4Very high18 Ų1841 Ų419%0.09421%0.214CC..Hα-helixtrans-72.8-29.2-173.1-64.4-176.7000113.3V84 F258 V304 S305 F314 W317V84-L308 HydrophobicContact CG2-CD1 3.82Å; V84-L308 HydrophobicContact CG2-CD2 3.95Å; V84-L308 HydrophobicContact CG2-CG 4.48Å; F258-L308 HydrophobicContact CE2-CD2 4.04Å; F258-L308 HydrophobicContact CE2-CG 4.45Å; F258-L308 HydrophobicContact CZ-CD2 3.79Å; F258-L308 HydrophobicContact CZ-CG 4.03Å; V304-L308 HydrophobicContact CG1-CD1 3.48Å; V304-L308 VanDerWaalsContact CG1-CD1 3.48Å; V304-L308 HydrophobicContact CG1-CG 3.9Å; V304-L308 WeakPolarHBondContact O-CB 3.47Å; V304-L308 VanDerWaalsContact O-CG 3.26Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 3.37Å; S305-L308 PolarHBondContact O-N 3.37Å; L308-F314 HydrophobicContact CD2-CD2 3.61Å; L308-F314 HydrophobicContact CD2-CE2 3.64Å; L308-W317 HydrophobicContact CD2-CD2 4.47Å; L308-W317 HydrophobicContact CD2-CE3 3.99Å; L308-W317 HydrophobicContact CD2-CH2 4.37Å; L308-W317 HydrophobicContact CD2-CZ3 3.93Å
309N98.3Very high98.5Very high82 Ų8244.8 Ų44.844%0.43923%0.233SC..Hα-helixtrans-89.9-3.9-179.4-70.1-65.2000113.9E76 S80 S305E76-N309 PolarHBondContact O-ND2 3.04Å; S80-N309 PolarHBondContact OG-ND2 3.48Å; S305-N309 VanDerWaalsContact O-CB 3.28Å; S305-N309 WeakPolarHBondContact O-CB 3.3Å; S305-N309 PolarHBondContact O-N 2.89Å; S305-N309 PolarHBondContact O-ND2 3.44Å; S305-N309 PolarHBondContact OG-ND2 3.27Å
310S98.4Very high98.5Very high29 Ų2942.2 Ų42.220%0.20322%0.222CC..SBendtrans-103.7120172.2166.10000109.4K306 E312 L313 F314K306-S310 WeakPolarHBondContact O-CB 3.47Å; K306-S310 PolarHBondContact O-N 2.94Å; S310-E312 PolarHBondContact O-N 3.27Å; S310-L313 PolarHBondContact O-N 3.16Å; S310-L313 WeakPolarHBondContact OG-CG 3.39Å; S310-L313 PolarHBondContact OG-N 3.36Å; S310-F314 WeakPolarHBondContact O-CB 3.43Å; S310-F314 PolarHBondContact O-N 3.49Å
311P98.1Very high98.4Very high108 Ų10842.2 Ų42.270%0.70122%0.221SC*.Hα-helixtrans-54.8-39.3-179.5-28.535.8000113.7A315P311-A315 WeakPolarHBondContact O-CB 3.49Å; P311-A315 PolarHBondContact O-N 3.32Å
312E98.6Very high98.3Very high160 Ų16046.6 Ų46.675%0.74824%0.24SC*.Hα-helixtrans-69.5-49.6-179.4-65.8152.9-168.400111.6S310 F314 A315 E316S310-E312 PolarHBondContact O-N 3.27Å; E312-F314 VanDerWaalsContact C-N 3.31Å; E312-F314 PolarHBondContact O-N 2.9Å; E312-A315 PolarHBondContact O-N 3.43Å; E312-E316 PolarHBondContact O-N 3.42Å
313L98.8Very high98.3Very high15 Ų1548.8 Ų48.88%0.07926%0.256CS..Hα-helixtrans-67.6-34.8178.3-61.1173.9000111.3V50 K53 V54 L57 K306 T307 S310 E316 W317V50-L313 HydrophobicContact CG2-CB 4.08Å; V50-L313 HydrophobicContact CG2-CD2 4.07Å; V50-L313 WeakPolarHBondContact CG2-O 3.33Å; K53-L313 HydrophobicContact CD-CD2 3.72Å; K53-L313 HydrophobicContact CG-CD2 4.44Å; V54-L313 HydrophobicContact CG2-CD1 3.62Å; V54-L313 HydrophobicContact CG2-CD2 4.17Å; V54-L313 HydrophobicContact CG2-CG 4.42Å; L57-L313 HydrophobicContact CD1-CD1 4.37Å; K306-L313 HydrophobicContact CG-CD1 4.49Å; T307-L313 HydrophobicContact CG2-CB 4.3Å; S310-L313 PolarHBondContact O-N 3.16Å; S310-L313 WeakPolarHBondContact OG-CG 3.39Å; S310-L313 PolarHBondContact OG-N 3.36Å; L313-E316 PolarHBondContact O-N 2.87Å; L313-W317 VanDerWaalsContact O-CB 3.32Å; L313-W317 WeakPolarHBondContact O-CB 3.28Å; L313-W317 PolarHBondContact O-N 3.35Å
314F98.6Very high98.2Very high52 Ų5248.8 Ų48.823%0.22826%0.257CS..Hα-helixtrans-65.9-40.8176-176.5-128000111.7V84 L231 T307 L308 S310 E312 W317 K318V84-F314 HydrophobicContact CG2-CE2 4.45Å; L231-F314 HydrophobicContact CD1-CE2 4.3Å; L231-F314 HydrophobicContact CD1-CZ 4.09Å; T307-F314 PolarHBondContact O-N 3.31Å; T307-F314 VanDerWaalsContact O-N 3.15Å; L308-F314 HydrophobicContact CD2-CD2 3.61Å; L308-F314 HydrophobicContact CD2-CE2 3.64Å; S310-F314 WeakPolarHBondContact O-CB 3.43Å; S310-F314 PolarHBondContact O-N 3.49Å; E312-F314 VanDerWaalsContact C-N 3.31Å; E312-F314 PolarHBondContact O-N 2.9Å; F314-W317 AromaticContact CD2-CE3 3.61Å; F314-W317 HydrophobicContact CD2-CE3 3.61Å; F314-W317 AromaticContact CD2-CZ3 3.97Å; F314-W317 HydrophobicContact CD2-CZ3 3.97Å; F314-W317 AromaticContact CE2-CE3 3.55Å; F314-W317 HydrophobicContact CE2-CE3 3.55Å; F314-W317 AromaticContact CE2-CZ3 3.41Å; F314-W317 HydrophobicContact CE2-CZ3 3.41Å; F314-W317 VanDerWaalsContact CE2-CZ3 3.41Å; F314-W317 HydrophobicContact CZ-CZ3 4.35Å; F314-W317 PolarHBondContact O-N 2.99Å; F314-K318 HydrophobicContact CE1-CD 4.12Å; F314-K318 HydrophobicContact CE2-CG 4.49Å; F314-K318 HydrophobicContact CZ-CD 4.16Å; F314-K318 WeakPolarHBondContact O-CG 3.35Å; F314-K318 PolarHBondContact O-N 3.36Å
315A98.4Very high98.1Very high40 Ų4048.9 Ų48.933%0.33126%0.257SS..Hα-helixtrans-61.4-49.617300000111.5P311 E312 W317 K318 D319P311-A315 WeakPolarHBondContact O-CB 3.49Å; P311-A315 PolarHBondContact O-N 3.32Å; E312-A315 PolarHBondContact O-N 3.43Å; A315-W317 VanDerWaalsContact C-N 3.3Å; A315-W317 PolarHBondContact O-N 3.33Å; A315-K318 WeakPolarHBondContact O-CB 3.31Å; A315-K318 PolarHBondContact O-N 2.88Å; A315-K318 VanDerWaalsContact O-N 3.14Å; A315-D319 PolarHBondContact O-N 2.74Å
316E98.6Very high98Very high42 Ų4251.4 Ų51.420%0.19627%0.269CS..Hα-helixtrans-60.7-39.1177.5-174-178.4174.100112.3V50 K53 E312 L313 D319 N320V50-E316 HydrophobicContact CB-CB 4.43Å; V50-E316 HydrophobicContact CB-CG 4.01Å; V50-E316 HydrophobicContact CG2-CB 4.25Å; V50-E316 HydrophobicContact CG2-CG 4.31Å; K53-E316 WeakPolarHBondContact CE-OE2 3.47Å; K53-E316 VanDerWaalsContact NZ-CD 3.3Å; K53-E316 IonicContact NZ-OE1 2.8Å; K53-E316 PolarHBondContact NZ-OE1 3.37Å; K53-E316 IonicContact NZ-OE2 2.67Å; K53-E316 PolarHBondContact NZ-OE2 3.25Å; E312-E316 PolarHBondContact O-N 3.42Å; L313-E316 PolarHBondContact O-N 2.87Å; E316-D319 PolarHBondContact O-N 2.72Å; E316-N320 VanDerWaalsContact O-CG 3.24Å; E316-N320 PolarHBondContact O-N 3.23Å; E316-N320 PolarHBondContact O-ND2 3.12Å; E316-N320 VanDerWaalsContact O-ND2 3.15Å
317W98.6Very high97.9Very high0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-62.5-44.3174.7172.468.1000112.3V50 L231 N257 F258 T307 L308 L313 F314 A315 D319 N320 V321V50-W317 HydrophobicContact CG1-CB 3.91Å; V50-W317 HydrophobicContact CG1-CG 4.43Å; V50-W317 HydrophobicContact CG2-CB 4.43Å; L231-W317 HydrophobicContact CD1-CE3 4.5Å; L231-W317 HydrophobicContact CD1-CH2 3.97Å; L231-W317 HydrophobicContact CD1-CZ3 3.49Å; L231-W317 VanDerWaalsContact CD1-CZ3 3.49Å; L231-W317 HydrophobicContact CD2-CH2 3.54Å; L231-W317 HydrophobicContact CD2-CZ2 4.48Å; L231-W317 HydrophobicContact CD2-CZ3 3.97Å; L231-W317 HydrophobicContact CG-CH2 4.38Å; L231-W317 HydrophobicContact CG-CZ3 4.33Å; N257-W317 HydrophobicContact CB-CZ2 4.13Å; N257-W317 PolarHBondContact O-NE1 3.39Å; F258-W317 AromaticContact CD2-CE2 3.58Å; F258-W317 AromaticContact CD2-CZ2 3.73Å; F258-W317 HydrophobicContact CD2-CZ2 3.73Å; F258-W317 AromaticContact CD2-NE1 3.27Å; F258-W317 VanDerWaalsContact CD2-NE1 3.27Å; F258-W317 AromaticContact CE1-CD1 3.89Å; F258-W317 HydrophobicContact CE1-CG 4.35Å; F258-W317 AromaticContact CE2-CD1 3.92Å; F258-W317 AromaticContact CE2-CD2 3.87Å; F258-W317 HydrophobicContact CE2-CD2 3.87Å; F258-W317 AromaticContact CE2-CE2 3.19Å; F258-W317 HydrophobicContact CE2-CG 4.27Å; F258-W317 HydrophobicContact CE2-CH2 4.16Å; F258-W317 AromaticContact CE2-CZ2 3.37Å; F258-W317 HydrophobicContact CE2-CZ2 3.37Å; F258-W317 AromaticContact CE2-NE1 3.28Å; F258-W317 VanDerWaalsContact CE2-NE1 3.28Å; F258-W317 AromaticContact CG-NE1 3.67Å; F258-W317 AromaticContact CZ-CD1 3.79Å; F258-W317 AromaticContact CZ-CD2 3.95Å; F258-W317 HydrophobicContact CZ-CD2 3.95Å; F258-W317 AromaticContact CZ-CE2 3.72Å; F258-W317 AromaticContact CZ-CG 3.98Å; F258-W317 HydrophobicContact CZ-CG 3.98Å; F258-W317 HydrophobicContact CZ-CZ2 4.28Å; F258-W317 AromaticContact CZ-NE1 3.65Å; T307-W317 HydrophobicContact CG2-CB 3.57Å; T307-W317 HydrophobicContact CG2-CG 3.99Å; L308-W317 HydrophobicContact CD2-CD2 4.47Å; L308-W317 HydrophobicContact CD2-CE3 3.99Å; L308-W317 HydrophobicContact CD2-CH2 4.37Å; L308-W317 HydrophobicContact CD2-CZ3 3.93Å; L313-W317 VanDerWaalsContact O-CB 3.32Å; L313-W317 WeakPolarHBondContact O-CB 3.28Å; L313-W317 PolarHBondContact O-N 3.35Å; F314-W317 AromaticContact CD2-CE3 3.61Å; F314-W317 HydrophobicContact CD2-CE3 3.61Å; F314-W317 AromaticContact CD2-CZ3 3.97Å; F314-W317 HydrophobicContact CD2-CZ3 3.97Å; F314-W317 AromaticContact CE2-CE3 3.55Å; F314-W317 HydrophobicContact CE2-CE3 3.55Å; F314-W317 AromaticContact CE2-CZ3 3.41Å; F314-W317 HydrophobicContact CE2-CZ3 3.41Å; F314-W317 VanDerWaalsContact CE2-CZ3 3.41Å; F314-W317 HydrophobicContact CZ-CZ3 4.35Å; F314-W317 PolarHBondContact O-N 2.99Å; A315-W317 VanDerWaalsContact C-N 3.3Å; A315-W317 PolarHBondContact O-N 3.33Å; W317-D319 VanDerWaalsContact C-N 3.28Å; W317-D319 PolarHBondContact O-N 3.16Å; W317-N320 WeakPolarHBondContact O-CB 3.33Å; W317-N320 PolarHBondContact O-N 2.89Å; W317-V321 HydrophobicContact CD2-CG2 4.14Å; W317-V321 VanDerWaalsContact CE2-CG2 3.5Å; W317-V321 HydrophobicContact CG-CG2 4.45Å; W317-V321 HydrophobicContact CZ2-CG2 3.8Å; W317-V321 WeakPolarHBondContact O-CG2 3.41Å; W317-V321 PolarHBondContact O-N 3.41Å
318K98.2Very high97.8Very high93 Ų9348.7 Ų48.740%0.40426%0.257SS..Hα-helixtrans-58.3-42174.9-74.2-177.5-62.4179.50111.4L231 F314 A315 V321 K322L231-K318 HydrophobicContact CD1-CD 4.09Å; L231-K318 HydrophobicContact CD1-CG 3.94Å; F314-K318 HydrophobicContact CE1-CD 4.12Å; F314-K318 HydrophobicContact CE2-CG 4.49Å; F314-K318 HydrophobicContact CZ-CD 4.16Å; F314-K318 WeakPolarHBondContact O-CG 3.35Å; F314-K318 PolarHBondContact O-N 3.36Å; A315-K318 WeakPolarHBondContact O-CB 3.31Å; A315-K318 PolarHBondContact O-N 2.88Å; A315-K318 VanDerWaalsContact O-N 3.14Å; K318-V321 PolarHBondContact O-N 3.28Å; K318-K322 WeakPolarHBondContact O-CB 3.19Å; K318-K322 PolarHBondContact O-N 3.15Å
319D98.3Very high97.6Very high101 Ų10151.4 Ų51.454%0.5427%0.271SS..Hα-helixtrans-65.3-40.2176.8-66.1-22.7000112A315 E316 W317 K322 T323A315-D319 PolarHBondContact O-N 2.74Å; E316-D319 PolarHBondContact O-N 2.72Å; W317-D319 VanDerWaalsContact C-N 3.28Å; W317-D319 PolarHBondContact O-N 3.16Å; D319-K322 PolarHBondContact O-N 2.9Å; D319-T323 WeakPolarHBondContact O-CB 3.34Å; D319-T323 PolarHBondContact O-N 3.16Å; D319-T323 PolarHBondContact O-OG1 3.17Å
320N97.9Very high97.6Very high15 Ų1551.5 Ų51.58%0.0827%0.271CS..Hα-helixtrans-62.9-44.6174.6-69.9-173.3000111.4W46 L48 P49 V50 E316 W317 T323 M324W46-N320 HydrophobicContact CH2-CB 3.98Å; W46-N320 HydrophobicContact CZ3-CB 4.38Å; L48-N320 HydrophobicContact CB-CB 4.5Å; L48-N320 HydrophobicContact CD2-CB 3.76Å; L48-N320 HydrophobicContact CG-CB 3.95Å; P49-N320 VanDerWaalsContact CD-OD1 3.3Å; P49-N320 WeakPolarHBondContact CD-OD1 3.35Å; V50-N320 WeakPolarHBondContact CG1-OD1 3.27Å; V50-N320 PolarHBondContact N-OD1 3.39Å; E316-N320 VanDerWaalsContact O-CG 3.24Å; E316-N320 PolarHBondContact O-N 3.23Å; E316-N320 PolarHBondContact O-ND2 3.12Å; E316-N320 VanDerWaalsContact O-ND2 3.15Å; W317-N320 WeakPolarHBondContact O-CB 3.33Å; W317-N320 PolarHBondContact O-N 2.89Å; N320-T323 WeakPolarHBondContact O-CB 3.46Å; N320-T323 PolarHBondContact O-N 3.35Å; N320-M324 WeakPolarHBondContact O-CG 3.46Å; N320-M324 PolarHBondContact O-N 2.79Å
321V97.3Very high97.5Very high3 Ų350.3 Ų50.32%0.01826%0.263CS..Hα-helixtrans-62.1-46.1176.2170.90000111.2G225 N257 W317 K318 T323 M324 A325G225-V321 VanDerWaalsContact O-CG1 3.28Å; G225-V321 WeakPolarHBondContact O-CG1 3.47Å; N257-V321 HydrophobicContact CB-CG2 4.35Å; N257-V321 WeakPolarHBondContact O-CG2 3.23Å; W317-V321 HydrophobicContact CD2-CG2 4.14Å; W317-V321 VanDerWaalsContact CE2-CG2 3.5Å; W317-V321 HydrophobicContact CG-CG2 4.45Å; W317-V321 HydrophobicContact CZ2-CG2 3.8Å; W317-V321 WeakPolarHBondContact O-CG2 3.41Å; W317-V321 PolarHBondContact O-N 3.41Å; K318-V321 PolarHBondContact O-N 3.28Å; V321-T323 VanDerWaalsContact C-N 3.32Å; V321-T323 PolarHBondContact O-N 3.09Å; V321-M324 HydrophobicContact CG2-CE 4.2Å; V321-M324 PolarHBondContact O-N 3.46Å; V321-A325 PolarHBondContact O-N 2.9Å
322K97.1Very high97.5Very high92 Ų9245.2 Ų45.240%0.423%0.23SC..Hα-helixtrans-60.2-42.7177.2-168.4-167.9-176.6-49.40111.4K318 D319 M324 A325 D326K318-K322 WeakPolarHBondContact O-CB 3.19Å; K318-K322 PolarHBondContact O-N 3.15Å; D319-K322 PolarHBondContact O-N 2.9Å; K322-M324 VanDerWaalsContact C-N 3.28Å; K322-M324 PolarHBondContact O-N 2.92Å; K322-A325 PolarHBondContact O-N 2.89Å; K322-A325 VanDerWaalsContact O-N 3.15Å; K322-D326 IonicContact NZ-OD1 3.49Å; K322-D326 PolarHBondContact NZ-OD1 3.42Å; K322-D326 IonicContact NZ-OD2 2.89Å; K322-D326 PolarHBondContact NZ-OD2 3.46Å; K322-D326 WeakPolarHBondContact O-CB 3.4Å; K322-D326 PolarHBondContact O-N 3.26Å
323T97Very high97.5Very high73 Ų7341.6 Ų41.645%0.44822%0.215SC..Hα-helixtrans-56-43.7176-60.40000111.5W46 D319 N320 V321 R327W46-T323 HydrophobicContact CH2-CG2 4.48Å; D319-T323 WeakPolarHBondContact O-CB 3.34Å; D319-T323 PolarHBondContact O-N 3.16Å; D319-T323 PolarHBondContact O-OG1 3.17Å; N320-T323 WeakPolarHBondContact O-CB 3.46Å; N320-T323 PolarHBondContact O-N 3.35Å; V321-T323 VanDerWaalsContact C-N 3.32Å; V321-T323 PolarHBondContact O-N 3.09Å; T323-R327 PolarHBondContact O-N 3.01Å
324M97.1Very high97.4Very high1 Ų143.3 Ų43.31%0.00522%0.223CC..Hα-helixtrans-66.6-44.4176.8-60.1-171.8-78.800112.4Y38 W46 L48 F226 N320 V321 K322 R327 V328Y38-M324 HydrophobicContact CD1-CG 4.13Å; Y38-M324 HydrophobicContact CD1-SD 3.82Å; Y38-M324 HydrophobicContact CD2-CB 3.93Å; Y38-M324 HydrophobicContact CD2-CG 4.08Å; Y38-M324 HydrophobicContact CD2-SD 4.18Å; Y38-M324 HydrophobicContact CE1-CG 3.82Å; Y38-M324 HydrophobicContact CE1-SD 4.11Å; Y38-M324 HydrophobicContact CE2-CB 3.56Å; Y38-M324 HydrophobicContact CE2-CG 3.76Å; Y38-M324 HydrophobicContact CE2-SD 4.44Å; Y38-M324 HydrophobicContact CG-CG 4.24Å; Y38-M324 HydrophobicContact CG-SD 3.85Å; W46-M324 HydrophobicContact CE3-CG 3.62Å; W46-M324 HydrophobicContact CE3-SD 3.69Å; W46-M324 HydrophobicContact CH2-CG 4.39Å; W46-M324 HydrophobicContact CZ3-CE 4.38Å; W46-M324 HydrophobicContact CZ3-CG 3.29Å; W46-M324 HydrophobicContact CZ3-SD 3.71Å; L48-M324 HydrophobicContact CD1-CE 4.01Å; L48-M324 HydrophobicContact CD1-SD 4.01Å; L48-M324 HydrophobicContact CD2-CE 4.12Å; L48-M324 HydrophobicContact CG-CE 4.42Å; F226-M324 HydrophobicContact CD2-CB 3.77Å; F226-M324 HydrophobicContact CD2-CE 3.91Å; F226-M324 HydrophobicContact CD2-SD 4.11Å; F226-M324 HydrophobicContact CE2-CB 3.46Å; F226-M324 VanDerWaalsContact CE2-CB 3.46Å; F226-M324 HydrophobicContact CE2-CE 4.23Å; F226-M324 HydrophobicContact CE2-CG 4.2Å; F226-M324 HydrophobicContact CE2-SD 3.8Å; N320-M324 WeakPolarHBondContact O-CG 3.46Å; N320-M324 PolarHBondContact O-N 2.79Å; V321-M324 HydrophobicContact CG2-CE 4.2Å; V321-M324 PolarHBondContact O-N 3.46Å; K322-M324 VanDerWaalsContact C-N 3.28Å; K322-M324 PolarHBondContact O-N 2.92Å; M324-R327 PolarHBondContact O-N 3.39Å; M324-V328 WeakPolarHBondContact O-CG2 3.4Å; M324-V328 PolarHBondContact O-N 3.39Å; M324-V328 VanDerWaalsContact O-N 3.1Å
325A96.4Very high97.4Very high1 Ų140.9 Ų40.91%0.00821%0.212CC..Hα-helixtrans-62.7-46.9179.600000111.4V321 K322 R327 V328 L329V321-A325 PolarHBondContact O-N 2.9Å; K322-A325 PolarHBondContact O-N 2.89Å; K322-A325 VanDerWaalsContact O-N 3.15Å; A325-R327 VanDerWaalsContact C-N 3.28Å; A325-R327 PolarHBondContact O-N 3.08Å; A325-V328 WeakPolarHBondContact O-CB 3.17Å; A325-V328 PolarHBondContact O-N 3.13Å; A325-L329 WeakPolarHBondContact O-CG 3.43Å; A325-L329 PolarHBondContact O-N 2.88Å
326D96.8Very high97.4Very high66 Ų6640.8 Ų40.835%0.35320%0.204SC..Hα-helixtrans-57.2-41.9177.4-70-13.2000111.2K322 V328 L329 L330K322-D326 IonicContact NZ-OD1 3.49Å; K322-D326 PolarHBondContact NZ-OD1 3.42Å; K322-D326 IonicContact NZ-OD2 2.89Å; K322-D326 PolarHBondContact NZ-OD2 3.46Å; K322-D326 WeakPolarHBondContact O-CB 3.4Å; K322-D326 PolarHBondContact O-N 3.26Å; D326-V328 PolarHBondContact O-N 3.44Å; D326-L329 PolarHBondContact O-N 3.4Å; D326-L330 WeakPolarHBondContact O-CB 3.43Å; D326-L330 PolarHBondContact O-N 3.44Å
327R96.3Very high97.4Very high29 Ų2941.5 Ų41.511%0.10921%0.214CC..Hα-helixtrans-63.6-42.1176.3-161.4-154.892.995.95.6112D41 T323 M324 A325 L330 M331 M387 C388 L390D41-R327 IonicContact OD1-NH1 3.81Å; T323-R327 PolarHBondContact O-N 3.01Å; M324-R327 PolarHBondContact O-N 3.39Å; A325-R327 VanDerWaalsContact C-N 3.28Å; A325-R327 PolarHBondContact O-N 3.08Å; R327-L330 PolarHBondContact O-N 3.27Å; R327-M331 WeakPolarHBondContact O-CG 3.49Å; R327-M331 PolarHBondContact O-N 3.24Å; R327-M387 PolarHBondContact NH2-O 3.34Å; R327-C388 PolarHBondContact NH2-O 3.23Å; R327-C388 VanDerWaalsContact NH2-O 3.08Å; R327-L390 VanDerWaalsContact CZ-O 3.24Å; R327-L390 PolarHBondContact NH1-O 3.48Å; R327-L390 PolarHBondContact NH2-O 2.56Å
328V96Very high97.4Very high2 Ų244.1 Ų44.11%0.01223%0.225CC..Hα-helixtrans-63.8-43.2178168.50000110.8F226 M324 A325 D326 M331 R332 G356 M387 C388F226-V328 HydrophobicContact CE1-CG2 4.47Å; F226-V328 HydrophobicContact CZ-CG2 4.11Å; M324-V328 WeakPolarHBondContact O-CG2 3.4Å; M324-V328 PolarHBondContact O-N 3.39Å; M324-V328 VanDerWaalsContact O-N 3.1Å; A325-V328 WeakPolarHBondContact O-CB 3.17Å; A325-V328 PolarHBondContact O-N 3.13Å; D326-V328 PolarHBondContact O-N 3.44Å; V328-M331 PolarHBondContact O-N 3.36Å; V328-R332 WeakPolarHBondContact O-CG 3.16Å; V328-R332 PolarHBondContact O-N 2.74Å; V328-G356 WeakPolarHBondContact CG1-O 3.32Å; V328-M387 HydrophobicContact CG1-CB 4.01Å; V328-C388 VanDerWaalsContact CG2-SG 3.55Å
329L96.1Very high97.4Very high76 Ų7639.7 Ų39.740%0.39821%0.206SC..Hα-helixtrans-62.5-41.7175.3-66172.7000111.6A325 D326 M331 R332 D333A325-L329 WeakPolarHBondContact O-CG 3.43Å; A325-L329 PolarHBondContact O-N 2.88Å; D326-L329 PolarHBondContact O-N 3.4Å; L329-M331 PolarHBondContact O-N 3.17Å; L329-R332 WeakPolarHBondContact O-CB 3.21Å; L329-R332 PolarHBondContact O-N 3Å; L329-D333 PolarHBondContact O-N 3.12Å
330L96.9Very high97.4Very high84 Ų8439.4 Ų39.444%0.4420%0.204SC..Hα-helixtrans-59.8-45.6174.4178.964.4000112D326 R327 R332 D333 Q334D326-L330 WeakPolarHBondContact O-CB 3.43Å; D326-L330 PolarHBondContact O-N 3.44Å; R327-L330 PolarHBondContact O-N 3.27Å; L330-R332 VanDerWaalsContact C-N 3.3Å; L330-R332 PolarHBondContact O-N 2.76Å; L330-D333 PolarHBondContact O-N 3.38Å; L330-Q334 HydrophobicContact CD1-CG 4.24Å; L330-Q334 WeakPolarHBondContact O-CG 3.48Å; L330-Q334 PolarHBondContact O-N 2.84Å
331M97.7Very high97.4Very high3 Ų343 Ų432%0.01524%0.236CC..Hα-helixtrans-66.3-31.8178.5-67.6-61.793.800112.7R327 V328 L329 L335 L390 I395R327-M331 WeakPolarHBondContact O-CG 3.49Å; R327-M331 PolarHBondContact O-N 3.24Å; V328-M331 PolarHBondContact O-N 3.36Å; L329-M331 PolarHBondContact O-N 3.17Å; M331-L335 VanDerWaalsContact O-CB 3.29Å; M331-L335 WeakPolarHBondContact O-CB 3.49Å; M331-L335 PolarHBondContact O-N 2.86Å; M331-L390 HydrophobicContact CB-CB 4.07Å; M331-L390 HydrophobicContact CB-CD1 4.29Å; M331-L390 HydrophobicContact CG-CB 4.07Å; M331-L390 HydrophobicContact SD-CB 3.92Å; M331-I395 HydrophobicContact SD-CD1 4.16Å
332R97.4Very high97.4Very high2 Ų245.7 Ų45.71%0.00825%0.25CC..Hα-helixtrans-63.4-50.4171.7-73.8172.3175.5-782.7111.7V328 L329 L330 L335 K336 I351 T352 Q354 I355 G356 F358 M387V328-R332 WeakPolarHBondContact O-CG 3.16Å; V328-R332 PolarHBondContact O-N 2.74Å; L329-R332 WeakPolarHBondContact O-CB 3.21Å; L329-R332 PolarHBondContact O-N 3Å; L330-R332 VanDerWaalsContact C-N 3.3Å; L330-R332 PolarHBondContact O-N 2.76Å; R332-L335 PolarHBondContact O-N 3.22Å; R332-K336 PolarHBondContact O-N 3.49Å; R332-K336 VanDerWaalsContact O-N 3.09Å; R332-I351 HydrophobicContact CB-CG2 4.02Å; R332-I351 WeakPolarHBondContact CD-O 3.46Å; R332-I351 HydrophobicContact CG-CG2 4.26Å; R332-I351 WeakPolarHBondContact CG-O 3.21Å; R332-I351 PolarHBondContact NH1-O 3.48Å; R332-I351 WeakPolarHBondContact O-CG2 3.34Å; R332-T352 HydrophobicContact CB-CG2 4.46Å; R332-Q354 PolarHBondContact NH1-O 3.08Å; R332-I355 PolarHBondContact NH2-O 3.32Å; R332-G356 PolarHBondContact NE-O 3.32Å; R332-G356 PolarHBondContact NH2-O 3.28Å; R332-F358 VanDerWaalsContact NH2-C 3.34Å; R332-F358 PolarHBondContact NH2-O 2.63Å; R332-M387 HydrophobicContact CB-CE 4.09Å; R332-M387 HydrophobicContact CG-CE 3.5Å; R332-M387 VanDerWaalsContact CG-CE 3.5Å; R332-M387 HydrophobicContact CG-CG 3.9Å; R332-M387 HydrophobicContact CG-SD 4.36Å
333D97.8Very high97.5Very high83 Ų8344 Ų4444%0.44426%0.258SS..Hα-helixtrans-60.6-46.4179.2-178.969000112.1L329 L330 L335 K336 S337L329-D333 PolarHBondContact O-N 3.12Å; L330-D333 PolarHBondContact O-N 3.38Å; D333-L335 PolarHBondContact O-N 3.32Å; D333-K336 PolarHBondContact O-N 3.44Å; D333-S337 WeakPolarHBondContact O-CB 3.37Å; D333-S337 PolarHBondContact O-N 3.43Å; D333-S337 PolarHBondContact O-OG 3.26Å
334Q98.2Very high97.5Very high52 Ų5240.8 Ų40.824%0.24324%0.239CC..Hα-helixtrans-65.7-40179.2-71.4-172.411.300112.8L330 S337 K338 I395L330-Q334 HydrophobicContact CD1-CG 4.24Å; L330-Q334 WeakPolarHBondContact O-CG 3.48Å; L330-Q334 PolarHBondContact O-N 2.84Å; Q334-S337 PolarHBondContact O-N 3.3Å; Q334-K338 WeakPolarHBondContact O-CB 3.1Å; Q334-K338 WeakPolarHBondContact O-CG 3.37Å; Q334-K338 PolarHBondContact O-N 3.03Å; Q334-I395 HydrophobicContact CB-CD1 3.45Å; Q334-I395 VanDerWaalsContact CB-CD1 3.45Å
335L98.3Very high97.4Very high1 Ų143.8 Ų43.81%0.00526%0.258CS..Hα-helixtrans-64-47.5179.1178.362000110.3M331 R332 D333 S337 K338 L339 I351 I385 M387 L390 I395 I402M331-L335 VanDerWaalsContact O-CB 3.29Å; M331-L335 WeakPolarHBondContact O-CB 3.49Å; M331-L335 PolarHBondContact O-N 2.86Å; R332-L335 PolarHBondContact O-N 3.22Å; D333-L335 PolarHBondContact O-N 3.32Å; L335-S337 PolarHBondContact O-N 3.09Å; L335-K338 PolarHBondContact O-N 3.33Å; L335-L339 HydrophobicContact CD1-CD1 4Å; L335-L339 HydrophobicContact CD1-CG 4.21Å; L335-L339 HydrophobicContact CG-CD1 3.93Å; L335-L339 VanDerWaalsContact O-CG 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.13Å; L335-L339 PolarHBondContact O-N 2.83Å; L335-I351 HydrophobicContact CD2-CD1 3.88Å; L335-I351 HydrophobicContact CD2-CG2 4.44Å; L335-I351 HydrophobicContact CG-CD1 4.01Å; L335-I385 HydrophobicContact CD2-CD1 3.77Å; L335-M387 HydrophobicContact CB-CE 4.35Å; L335-M387 HydrophobicContact CD2-CE 3.91Å; L335-L390 HydrophobicContact CB-CD1 4.24Å; L335-L390 HydrophobicContact CD2-CD1 3.93Å; L335-I395 HydrophobicContact CB-CD1 4.26Å; L335-I402 HydrophobicContact CD1-CD1 4.32Å
336K97.9Very high97.1Very high38 Ų3846.7 Ų46.717%0.16529%0.288CS..Hα-helixtrans-57-51.6175.2176.9-176.8176.6178.40111R332 D333 K338 L339 L340 D349 I351 T352R332-K336 PolarHBondContact O-N 3.49Å; R332-K336 VanDerWaalsContact O-N 3.09Å; D333-K336 PolarHBondContact O-N 3.44Å; K336-K338 VanDerWaalsContact C-N 3.31Å; K336-K338 PolarHBondContact O-N 2.81Å; K336-L339 PolarHBondContact O-N 3.31Å; K336-L340 HydrophobicContact CG-CD1 4.04Å; K336-L340 HydrophobicContact CG-CG 4.45Å; K336-L340 WeakPolarHBondContact O-CG 3.28Å; K336-L340 PolarHBondContact O-N 3.47Å; K336-D349 WeakPolarHBondContact CE-OD1 3.38Å; K336-D349 IonicContact NZ-OD1 3.5Å; K336-D349 PolarHBondContact NZ-OD1 2.91Å; K336-I351 HydrophobicContact CB-CB 4.49Å; K336-T352 HydrophobicContact CB-CG2 4.17Å; K336-T352 HydrophobicContact CD-CG2 3.62Å; K336-T352 WeakPolarHBondContact CD-OG1 3.11Å; K336-T352 PolarHBondContact NZ-OG1 3.07Å
337S98.2Very high96.7Very high57 Ų5747.7 Ų47.740%0.39930%0.297SS..Hα-helixtrans-58.5-42-177.6-660000112.3D333 Q334 L335 L340 A341D333-S337 WeakPolarHBondContact O-CB 3.37Å; D333-S337 PolarHBondContact O-N 3.43Å; D333-S337 PolarHBondContact O-OG 3.26Å; Q334-S337 PolarHBondContact O-N 3.3Å; L335-S337 PolarHBondContact O-N 3.09Å; S337-L340 PolarHBondContact O-N 3.46Å; S337-A341 WeakPolarHBondContact O-CB 3.19Å; S337-A341 PolarHBondContact O-N 2.86Å
338K98.4Very high96.6Very high55 Ų5546.6 Ų46.624%0.23929%0.293CS..Hα-helixtrans-69.2-41.4177.7-71.8171.4-172.6-78.10112.5Q334 L335 K336 L340 A341 L342 I395 D396Q334-K338 WeakPolarHBondContact O-CB 3.1Å; Q334-K338 WeakPolarHBondContact O-CG 3.37Å; Q334-K338 PolarHBondContact O-N 3.03Å; L335-K338 PolarHBondContact O-N 3.33Å; K336-K338 VanDerWaalsContact C-N 3.31Å; K336-K338 PolarHBondContact O-N 2.81Å; K338-L340 VanDerWaalsContact C-N 3.3Å; K338-L340 PolarHBondContact O-N 3.44Å; K338-A341 PolarHBondContact O-N 2.63Å; K338-L342 WeakPolarHBondContact O-CB 3.02Å; K338-L342 VanDerWaalsContact O-CG 3.31Å; K338-L342 WeakPolarHBondContact O-CG 3.38Å; K338-L342 PolarHBondContact O-N 3.18Å; K338-I395 HydrophobicContact CD-CG1 4.04Å; K338-I395 HydrophobicContact CD-CG2 4.01Å; K338-D396 WeakPolarHBondContact CD-OD1 3.41Å; K338-D396 WeakPolarHBondContact CE-OD1 3.5Å; K338-D396 VanDerWaalsContact NZ-CG 3.33Å; K338-D396 IonicContact NZ-OD1 3.24Å; K338-D396 PolarHBondContact NZ-OD1 2.97Å; K338-D396 IonicContact NZ-OD2 3.56Å; K338-D396 PolarHBondContact NZ-OD2 2.82Å
339L98.4Very high96.5Very high0 Ų049.8 Ų49.80%031%0.309CS..Hα-helixtrans-62.1-38.8176.1-69.8169.7000112.1L335 K336 G343 T344 W348 I351 I402L335-L339 HydrophobicContact CD1-CD1 4Å; L335-L339 HydrophobicContact CD1-CG 4.21Å; L335-L339 HydrophobicContact CG-CD1 3.93Å; L335-L339 VanDerWaalsContact O-CG 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.13Å; L335-L339 PolarHBondContact O-N 2.83Å; K336-L339 PolarHBondContact O-N 3.31Å; L339-G343 PolarHBondContact O-N 3.03Å; L339-T344 HydrophobicContact CD2-CG2 4.21Å; L339-T344 VanDerWaalsContact O-CB 3.27Å; L339-T344 WeakPolarHBondContact O-CB 3.48Å; L339-T344 PolarHBondContact O-N 2.86Å; L339-T344 PolarHBondContact O-OG1 3.14Å; L339-W348 HydrophobicContact CB-CD2 4.46Å; L339-W348 HydrophobicContact CB-CG 4.18Å; L339-W348 HydrophobicContact CD1-CD2 3.67Å; L339-W348 HydrophobicContact CD1-CE3 3.68Å; L339-W348 HydrophobicContact CD1-CG 4.07Å; L339-W348 HydrophobicContact CD1-CH2 4.46Å; L339-W348 HydrophobicContact CD1-CZ2 4.49Å; L339-W348 HydrophobicContact CD1-CZ3 4.08Å; L339-I351 HydrophobicContact CD1-CD1 3.71Å; L339-I402 HydrophobicContact CD2-CB 3.98Å; L339-I402 HydrophobicContact CD2-CG2 3.65Å
340L97.9Very high96.3Very high95 Ų9546.4 Ų46.450%0.49729%0.292SS..Hα-helixtrans-67-44.9174.1-68.2176.8000112K336 S337 K338 L342 G343K336-L340 HydrophobicContact CG-CD1 4.04Å; K336-L340 HydrophobicContact CG-CG 4.45Å; K336-L340 WeakPolarHBondContact O-CG 3.28Å; K336-L340 PolarHBondContact O-N 3.47Å; S337-L340 PolarHBondContact O-N 3.46Å; K338-L340 VanDerWaalsContact C-N 3.3Å; K338-L340 PolarHBondContact O-N 3.44Å; L340-L342 VanDerWaalsContact C-N 3.26Å; L340-L342 PolarHBondContact O-N 2.87Å; L340-G343 PolarHBondContact O-N 3.45Å
341A98.2Very high96.2Very high90 Ų9042.4 Ų42.474%0.74427%0.271SS*.Hα-helixtrans-61.9-33.3177.400000112.8S337 K338 G343S337-A341 WeakPolarHBondContact O-CB 3.19Å; S337-A341 PolarHBondContact O-N 2.86Å; K338-A341 PolarHBondContact O-N 2.63Å; A341-G343 PolarHBondContact O-N 3.46Å
342L98.3Very high96.1Very high59 Ų5944.8 Ų44.831%0.30929%0.285SS..THydrogen-bonded Turntrans-74.8-7.3173.5-70.2170.6000113.5K338 L340 T344 H403K338-L342 WeakPolarHBondContact O-CB 3.02Å; K338-L342 VanDerWaalsContact O-CG 3.31Å; K338-L342 WeakPolarHBondContact O-CG 3.38Å; K338-L342 PolarHBondContact O-N 3.18Å; L340-L342 VanDerWaalsContact C-N 3.26Å; L340-L342 PolarHBondContact O-N 2.87Å; L342-T344 VanDerWaalsContact C-N 3.27Å; L342-T344 PolarHBondContact O-N 3.01Å; L342-H403 HydrophobicContact CB-CB 4.44Å; L342-H403 HydrophobicContact CD1-CB 4Å; L342-H403 PolarHBondContact O-CE1 3.31Å; L342-H403 PolarHBondContact O-ND1 2.67Å
343G97.8Very high95.9Very high56 Ų5651.3 Ų51.358%0.57732%0.316SS*.THydrogen-bonded Turntrans63.733.4-173.300000112.7L339 L340 A341L339-G343 PolarHBondContact O-N 3.03Å; L340-G343 PolarHBondContact O-N 3.45Å; A341-G343 PolarHBondContact O-N 3.46Å
344T97.8Very high95.6Very high7 Ų747.5 Ų47.54%0.04330%0.296CS..  trans-62.6125.8-176.9-52.90000111.1L339 L342 W348 H403 V406L339-T344 HydrophobicContact CD2-CG2 4.21Å; L339-T344 VanDerWaalsContact O-CB 3.27Å; L339-T344 WeakPolarHBondContact O-CB 3.48Å; L339-T344 PolarHBondContact O-N 2.86Å; L339-T344 PolarHBondContact O-OG1 3.14Å; L342-T344 VanDerWaalsContact C-N 3.27Å; L342-T344 PolarHBondContact O-N 3.01Å; T344-W348 HydrophobicContact CG2-CZ2 3.72Å; T344-W348 PolarHBondContact O-NE1 3.17Å; T344-H403 VanDerWaalsContact CA-ND1 3.35Å; T344-H403 WeakPolarHBondContact CA-ND1 3.44Å; T344-H403 HydrophobicContact CG2-CB 4.33Å; T344-H403 PolarHBondContact OG1-ND1 2.88Å; T344-V406 HydrophobicContact CG2-CB 4.33Å; T344-V406 HydrophobicContact CG2-CG1 4.44Å; T344-V406 HydrophobicContact CG2-CG2 4.47Å
345P95.1Very high95.3Very high64 Ų6447.3 Ų47.342%0.41630%0.295SS..SBendtrans-55.7145.2-177-26.433.7000113.9W348 V406 T407P345-W348 PolarHBondContact O-NE1 3.38Å; P345-V406 HydrophobicContact CB-CG1 3.86Å; P345-V406 HydrophobicContact CG-CG1 4.02Å; P345-T407 HydrophobicContact CG-CG2 3.92Å
346G89.3Confident94.9Very high61 Ų6147.2 Ų47.263%0.62930%0.295SS*.SBendtrans91.1-175.4-177.900000113.8
347T89Confident94.7Very high88 Ų8845.5 Ų45.554%0.5429%0.288SS..  trans-97.2151.8173.2600000110.5R164R164-T347 PolarHBondContact NH1-O 3Å
348W94.3Very high94.5Very high6 Ų643 Ų432%0.02327%0.27CS..  trans-132.313.4-179.1-64.699.3000113.1L339 T344 P345 H350 I351 L363 I402 V406L339-W348 HydrophobicContact CB-CD2 4.46Å; L339-W348 HydrophobicContact CB-CG 4.18Å; L339-W348 HydrophobicContact CD1-CD2 3.67Å; L339-W348 HydrophobicContact CD1-CE3 3.68Å; L339-W348 HydrophobicContact CD1-CG 4.07Å; L339-W348 HydrophobicContact CD1-CH2 4.46Å; L339-W348 HydrophobicContact CD1-CZ2 4.49Å; L339-W348 HydrophobicContact CD1-CZ3 4.08Å; T344-W348 HydrophobicContact CG2-CZ2 3.72Å; T344-W348 PolarHBondContact O-NE1 3.17Å; P345-W348 PolarHBondContact O-NE1 3.38Å; W348-H350 AromaticContact CE3-CE1 3.62Å; W348-H350 PolarHBondContact O-N 2.77Å; W348-I351 HydrophobicContact CB-CD1 4.33Å; W348-I351 HydrophobicContact CD2-CD1 4.46Å; W348-I351 HydrophobicContact CE3-CD1 3.65Å; W348-I351 HydrophobicContact CE3-CG1 4.33Å; W348-I351 HydrophobicContact CZ3-CD1 4.37Å; W348-I351 PolarHBondContact O-N 2.86Å; W348-L363 HydrophobicContact CH2-CD2 4.38Å; W348-I402 HydrophobicContact CH2-CG2 3.74Å; W348-I402 HydrophobicContact CZ2-CG2 4.08Å; W348-V406 HydrophobicContact CZ2-CG2 4.26Å
349D93.6Very high94.2Very high68 Ų6840.4 Ų40.436%0.36426%0.258SS..THydrogen-bonded Turntrans-62.5-31.3-179.6-66.2-51.3000113K336 I351 T352 Q353K336-D349 WeakPolarHBondContact CE-OD1 3.38Å; K336-D349 IonicContact NZ-OD1 3.5Å; K336-D349 PolarHBondContact NZ-OD1 2.91Å; D349-I351 PolarHBondContact O-N 3.35Å; D349-I351 VanDerWaalsContact O-N 3.17Å; D349-T352 PolarHBondContact O-N 3.45Å; D349-T352 PolarHBondContact O-OG1 2.85Å; D349-Q353 WeakPolarHBondContact O-CG 3.26Å; D349-Q353 PolarHBondContact O-N 3.33Å; D349-Q353 VanDerWaalsContact O-N 3.11Å
350H92.6Very high93.9Very high6 Ų641.4 Ų41.43%0.02826%0.263CS..Hα-helixtrans-58-2917963.3-76.4000112.5R164 W348 T352 Q353 Q354 F360 T361R164-H350 HydrophobicContact CB-CB 4.04Å; R164-H350 PolarHBondContact NH1-CE1 3.15Å; R164-H350 PolarHBondContact NH1-ND1 3.32Å; W348-H350 AromaticContact CE3-CE1 3.62Å; W348-H350 PolarHBondContact O-N 2.77Å; H350-T352 VanDerWaalsContact C-N 3.25Å; H350-T352 PolarHBondContact O-N 3.06Å; H350-Q353 PolarHBondContact O-N 3.3Å; H350-Q354 WeakPolarHBondContact O-CB 3.37Å; H350-Q354 WeakPolarHBondContact O-CG 3.42Å; H350-Q354 PolarHBondContact O-N 2.92Å; H350-F360 PolarHBondContact CD2-O 3.23Å; H350-F360 PolarHBondContact NE2-O 3Å; H350-T361 PolarHBondContact NE2-O 3.12Å; H350-T361 VanDerWaalsContact NE2-O 3.12Å
351I94.9Very high93.6Very high0 Ų036.9 Ų36.90%024%0.239CC..Hα-helixtrans-58.6-39.6177.2-66.2176.9000111.2R332 L335 K336 L339 W348 D349 M387R332-I351 HydrophobicContact CB-CG2 4.02Å; R332-I351 WeakPolarHBondContact CD-O 3.46Å; R332-I351 HydrophobicContact CG-CG2 4.26Å; R332-I351 WeakPolarHBondContact CG-O 3.21Å; R332-I351 PolarHBondContact NH1-O 3.48Å; R332-I351 WeakPolarHBondContact O-CG2 3.34Å; L335-I351 HydrophobicContact CD2-CD1 3.88Å; L335-I351 HydrophobicContact CD2-CG2 4.44Å; L335-I351 HydrophobicContact CG-CD1 4.01Å; K336-I351 HydrophobicContact CB-CB 4.49Å; L339-I351 HydrophobicContact CD1-CD1 3.71Å; W348-I351 HydrophobicContact CB-CD1 4.33Å; W348-I351 HydrophobicContact CD2-CD1 4.46Å; W348-I351 HydrophobicContact CE3-CD1 3.65Å; W348-I351 HydrophobicContact CE3-CG1 4.33Å; W348-I351 HydrophobicContact CZ3-CD1 4.37Å; W348-I351 PolarHBondContact O-N 2.86Å; D349-I351 PolarHBondContact O-N 3.35Å; D349-I351 VanDerWaalsContact O-N 3.17Å; I351-M387 HydrophobicContact CG2-CE 4.07Å
352T94.9Very high93.2Very high52 Ų5234.7 Ų34.732%0.31923%0.225SC..Hα-helixtrans-90.7-21.6179.947.80000113.6R332 K336 D349 H350R332-T352 HydrophobicContact CB-CG2 4.46Å; K336-T352 HydrophobicContact CB-CG2 4.17Å; K336-T352 HydrophobicContact CD-CG2 3.62Å; K336-T352 WeakPolarHBondContact CD-OG1 3.11Å; K336-T352 PolarHBondContact NZ-OG1 3.07Å; D349-T352 PolarHBondContact O-N 3.45Å; D349-T352 PolarHBondContact O-OG1 2.85Å; H350-T352 VanDerWaalsContact C-N 3.25Å; H350-T352 PolarHBondContact O-N 3.06Å
353Q92.6Very high92.9Very high139 Ų13932.2 Ų32.265%0.6521%0.212SC*.Hα-helixtrans-81.4-30.4176-66.9168.5-1200112.1D349 H350D349-Q353 WeakPolarHBondContact O-CG 3.26Å; D349-Q353 PolarHBondContact O-N 3.33Å; D349-Q353 VanDerWaalsContact O-N 3.11Å; H350-Q353 PolarHBondContact O-N 3.3Å
354Q92.6Very high92.7Very high4 Ų431.7 Ų31.72%0.01920%0.196CC..SBendtrans-71.9148.4172-71.2166.3-0.400111T194 G195 R332 H350 S359 F360T194-Q354 WeakPolarHBondContact O-CG 3.46Å; T194-Q354 PolarHBondContact O-NE2 3.04Å; T194-Q354 PolarHBondContact O-OE1 3.2Å; G195-Q354 CarbonylContact O-C 3.55Å; G195-Q354 WeakPolarHBondContact O-CA 3.3Å; G195-Q354 WeakPolarHBondContact O-CB 3.42Å; R332-Q354 PolarHBondContact NH1-O 3.08Å; H350-Q354 WeakPolarHBondContact O-CB 3.37Å; H350-Q354 WeakPolarHBondContact O-CG 3.42Å; H350-Q354 PolarHBondContact O-N 2.92Å; Q354-S359 VanDerWaalsContact OE1-CB 3.29Å; Q354-S359 PolarHBondContact OE1-OG 3.45Å; Q354-F360 PolarHBondContact NE2-O 2.58Å
355I90.6Very high92.6Very high47 Ų4735.7 Ų35.724%0.24122%0.222CC..  trans-115.5151.8-170.3-55.2-180000110.7G195 A227 R332G195-I355 PolarHBondContact O-N 3.05Å; A227-I355 HydrophobicContact CB-CG2 3.79Å; A227-I355 WeakPolarHBondContact O-CG2 3.47Å; R332-I355 PolarHBondContact NH2-O 3.32Å
356G91.5Very high92.7Very high0 Ų038.4 Ų38.40%023%0.227CC..SBendtrans78.4-150.3169.900000114.2V328 R332 F358V328-G356 WeakPolarHBondContact CG1-O 3.32Å; R332-G356 PolarHBondContact NE-O 3.32Å; R332-G356 PolarHBondContact NH2-O 3.28Å; G356-F358 PolarHBondContact O-N 3.18Å
357M91.8Very high93.1Very high1 Ų136.5 Ų36.51%0.00520%0.202CC..SBendtrans-72-33.7-165.2-168.1170.2-139.700114.5G36 A37 Y223 F226 N386 M387 C388G36-M357 VanDerWaalsContact C-CE 3.48Å; G36-M357 VanDerWaalsContact C-SD 3.54Å; A37-M357 WeakPolarHBondContact O-CE 3.25Å; Y223-M357 HydrophobicContact CE1-CB 4.16Å; Y223-M357 HydrophobicContact CE1-SD 4.32Å; F226-M357 HydrophobicContact CE1-CB 3.91Å; F226-M357 HydrophobicContact CE1-CG 4.22Å; F226-M357 HydrophobicContact CZ-CE 4.44Å; M357-N386 WeakPolarHBondContact CG-OD1 3.36Å; M357-N386 PolarHBondContact O-OD1 2.95Å; M357-M387 PolarHBondContact O-N 3.04Å; M357-C388 HydrophobicContact CE-CB 4.1Å; M357-C388 VanDerWaalsContact CE-SG 3.5Å
358F94.1Very high93.5Very high6 Ų632.5 Ų32.53%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-114.4146.9-166.2-56.8-63000112.4N192 Y223 R332 G356 R384 I385 N386N192-F358 HydrophobicContact CB-CD2 4.2Å; N192-F358 HydrophobicContact CB-CE2 4.24Å; Y223-F358 HydrophobicContact CE1-CE2 4.49Å; Y223-F358 VanDerWaalsContact OH-CE2 3.24Å; Y223-F358 WeakPolarHBondContact OH-CE2 3.37Å; R332-F358 VanDerWaalsContact NH2-C 3.34Å; R332-F358 PolarHBondContact NH2-O 2.63Å; G356-F358 PolarHBondContact O-N 3.18Å; F358-R384 HydrophobicContact CB-CG 3.99Å; F358-R384 HydrophobicContact CD1-CG 4.17Å; F358-R384 HydrophobicContact CG-CG 4.23Å; F358-I385 CarbonylContact C-O 3.24Å; F358-I385 VanDerWaalsContact CA-O 3.24Å; F358-I385 WeakPolarHBondContact CA-O 3.47Å; F358-N386 HydrophobicContact CD1-CB 4.12Å; F358-N386 HydrophobicContact CE1-CB 4.08Å
359S92.7Very high93.6Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-124.1132.1168.1-179.10000109.5Q354 T361 R384 I385Q354-S359 VanDerWaalsContact OE1-CB 3.29Å; Q354-S359 PolarHBondContact OE1-OG 3.45Å; S359-T361 PolarHBondContact O-N 2.93Å; S359-R384 WeakPolarHBondContact O-CA 3.27Å; S359-I385 PolarHBondContact N-O 3.24Å; S359-I385 PolarHBondContact O-N 3.12Å
360F91.9Very high93.8Very high21 Ų2135.6 Ų35.69%0.09219%0.188CC..EExtended strand (participates in β ladder)trans-84.5104.5164.9-115.9-162.4000108.8P136 W159 P193 T194 H350 Q354 G362 S382 R384P136-F360 HydrophobicContact CG-CE1 3.78Å; P136-F360 HydrophobicContact CG-CZ 4.21Å; W159-F360 HydrophobicContact CD2-CD1 4.31Å; W159-F360 HydrophobicContact CH2-CB 4.1Å; W159-F360 HydrophobicContact CZ2-CB 4.3Å; W159-F360 HydrophobicContact CZ2-CD1 4.13Å; P193-F360 HydrophobicContact CB-CD2 4.28Å; P193-F360 HydrophobicContact CB-CE2 3.94Å; P193-F360 HydrophobicContact CB-CZ 4.32Å; P193-F360 HydrophobicContact CG-CD2 4.44Å; P193-F360 HydrophobicContact CG-CE1 4.2Å; P193-F360 HydrophobicContact CG-CE2 3.87Å; P193-F360 HydrophobicContact CG-CZ 3.73Å; T194-F360 HydrophobicContact CG2-CD1 3.9Å; T194-F360 HydrophobicContact CG2-CE1 4.24Å; H350-F360 PolarHBondContact CD2-O 3.23Å; H350-F360 PolarHBondContact NE2-O 3Å; Q354-F360 PolarHBondContact NE2-O 2.58Å; F360-G362 VanDerWaalsContact C-N 3.32Å; F360-G362 PolarHBondContact O-N 3.31Å; F360-S382 WeakPolarHBondContact CE2-O 3.45Å; F360-S382 WeakPolarHBondContact CE2-OG 3.38Å; F360-R384 HydrophobicContact CD2-CB 3.76Å; F360-R384 HydrophobicContact CD2-CG 4.3Å; F360-R384 HydrophobicContact CE2-CB 3.78Å
361T91.5Very high94.1Very high0 Ų035.3 Ų35.30%019%0.187CC..  trans-71.6-27.1-171.558.30000113.3H350 S359 L363 G383 I385H350-T361 PolarHBondContact NE2-O 3.12Å; H350-T361 VanDerWaalsContact NE2-O 3.12Å; S359-T361 PolarHBondContact O-N 2.93Å; T361-L363 VanDerWaalsContact C-N 3.31Å; T361-L363 HydrophobicContact CG2-CD1 4.47Å; T361-L363 WeakPolarHBondContact OG1-CB 3.47Å; T361-L363 VanDerWaalsContact OG1-CG 3.31Å; T361-L363 WeakPolarHBondContact OG1-CG 3.49Å; T361-L363 PolarHBondContact OG1-N 3Å; T361-G383 WeakPolarHBondContact CB-O 3.43Å; T361-G383 WeakPolarHBondContact CG2-O 3.34Å; T361-G383 PolarHBondContact N-O 3Å; T361-G383 VanDerWaalsContact N-O 3.17Å; T361-G383 PolarHBondContact OG1-O 3.35Å; T361-I385 HydrophobicContact CG2-CB 4.34Å; T361-I385 HydrophobicContact CG2-CD1 3.64Å; T361-I385 HydrophobicContact CG2-CG1 3.7Å; T361-I385 HydrophobicContact CG2-CG2 3.79Å
362G89.4Confident94.2Very high43 Ų4337.4 Ų37.444%0.44320%0.198SC..  trans83.25.4-169.700000113.9F360F360-G362 VanDerWaalsContact C-N 3.32Å; F360-G362 PolarHBondContact O-N 3.31Å
363L93.6Very high94.3Very high8 Ų841 Ų414%0.04221%0.209CC..  trans-65.4134.8172.9-66.4170.9000110.6W348 T361 Q367 V368 L371 L379 I402 V406W348-L363 HydrophobicContact CH2-CD2 4.38Å; T361-L363 VanDerWaalsContact C-N 3.31Å; T361-L363 HydrophobicContact CG2-CD1 4.47Å; T361-L363 WeakPolarHBondContact OG1-CB 3.47Å; T361-L363 VanDerWaalsContact OG1-CG 3.31Å; T361-L363 WeakPolarHBondContact OG1-CG 3.49Å; T361-L363 PolarHBondContact OG1-N 3Å; L363-Q367 HydrophobicContact CB-CB 4.37Å; L363-Q367 HydrophobicContact CD2-CB 4.22Å; L363-V368 HydrophobicContact CB-CG2 4.15Å; L363-L371 HydrophobicContact CD1-CD1 3.61Å; L363-L379 HydrophobicContact CD1-CD1 4.01Å; L363-I402 HydrophobicContact CD1-CG1 4.38Å; L363-I402 HydrophobicContact CD2-CG2 4.37Å; L363-V406 HydrophobicContact CD2-CG2 3.61Å
364N93.4Very high94.6Very high45 Ų4540.2 Ų40.224%0.24121%0.206CC..  trans-80165.1179.176.640.1000111.5K366 Q367 V368N364-K366 VanDerWaalsContact C-N 3.27Å; N364-K366 PolarHBondContact O-N 3.22Å; N364-K366 WeakPolarHBondContact OD1-CA 3.45Å; N364-K366 WeakPolarHBondContact OD1-CB 3.43Å; N364-K366 PolarHBondContact OD1-N 3.35Å; N364-Q367 PolarHBondContact O-N 3.36Å; N364-Q367 VanDerWaalsContact O-N 3.12Å; N364-Q367 WeakPolarHBondContact OD1-CG 3.27Å; N364-Q367 PolarHBondContact OD1-N 3.43Å; N364-V368 WeakPolarHBondContact O-CG2 3.34Å; N364-V368 PolarHBondContact O-N 3.05Å
365P95.3Very high94.9Very high91 Ų9141.5 Ų41.559%0.59121%0.211SC*.Hα-helixtrans-56.9-34-177.5-29.337000114.9V368 E369P365-V368 PolarHBondContact O-N 2.78Å; P365-E369 WeakPolarHBondContact O-CB 3.47Å; P365-E369 PolarHBondContact O-N 2.69Å
366K96.9Very high95.2Very high121 Ų12141.3 Ų41.353%0.52621%0.209SC..Hα-helixtrans-69.8-41177.8-58.6-178.9-173.1172.10111.8N364 V368 E369 Y370 V409 Q410N364-K366 VanDerWaalsContact C-N 3.27Å; N364-K366 PolarHBondContact O-N 3.22Å; N364-K366 WeakPolarHBondContact OD1-CA 3.45Å; N364-K366 WeakPolarHBondContact OD1-CB 3.43Å; N364-K366 PolarHBondContact OD1-N 3.35Å; K366-V368 VanDerWaalsContact C-N 3.33Å; K366-E369 PolarHBondContact O-N 2.99Å; K366-Y370 PolarHBondContact O-N 2.85Å; K366-V409 HydrophobicContact CB-CG1 3.67Å; K366-Q410 WeakPolarHBondContact CD-O 3.47Å; K366-Q410 PolarHBondContact NZ-O 3.35Å
367Q97.6Very high95.6Very high20 Ų2041.3 Ų41.39%0.09321%0.209CC..Hα-helixtrans-64.7-40.4175.8-69.6167.8-16.500110.8L363 N364 Y370 L371 A405 V409L363-Q367 HydrophobicContact CB-CB 4.37Å; L363-Q367 HydrophobicContact CD2-CB 4.22Å; N364-Q367 PolarHBondContact O-N 3.36Å; N364-Q367 VanDerWaalsContact O-N 3.12Å; N364-Q367 WeakPolarHBondContact OD1-CG 3.27Å; N364-Q367 PolarHBondContact OD1-N 3.43Å; Q367-Y370 PolarHBondContact O-N 3.24Å; Q367-L371 WeakPolarHBondContact O-CG 3.39Å; Q367-L371 PolarHBondContact O-N 2.98Å; Q367-A405 HydrophobicContact CB-CB 4.23Å; Q367-V409 HydrophobicContact CG-CB 4.11Å; Q367-V409 HydrophobicContact CG-CG1 4.28Å; Q367-V409 PolarHBondContact NE2-O 3.01Å
368V97.4Very high95.8Very high4 Ų442.2 Ų42.22%0.02421%0.213CC..Hα-helixtrans-61.8-45.1172.9171.30000111.2L363 N364 P365 K366 Y370 L371 I372 L379L363-V368 HydrophobicContact CB-CG2 4.15Å; N364-V368 WeakPolarHBondContact O-CG2 3.34Å; N364-V368 PolarHBondContact O-N 3.05Å; P365-V368 PolarHBondContact O-N 2.78Å; K366-V368 VanDerWaalsContact C-N 3.33Å; V368-Y370 PolarHBondContact O-N 3.4Å; V368-L371 WeakPolarHBondContact O-CB 3.33Å; V368-L371 PolarHBondContact O-N 2.97Å; V368-I372 HydrophobicContact CG1-CD1 3.91Å; V368-I372 WeakPolarHBondContact O-CG1 3.2Å; V368-I372 PolarHBondContact O-N 2.82Å; V368-L379 HydrophobicContact CB-CD2 4.4Å; V368-L379 HydrophobicContact CB-CG 4.49Å; V368-L379 HydrophobicContact CG1-CD2 3.75Å; V368-L379 HydrophobicContact CG1-CG 3.86Å; V368-L379 HydrophobicContact CG2-CD1 4.09Å; V368-L379 HydrophobicContact CG2-CG 4.14Å
369E97.2Very high96Very high97 Ų9742 Ų4245%0.45321%0.212SC..Hα-helixtrans-60.4-43.8177.2-178.1176.6-167.200112P365 K366 I372 K373P365-E369 WeakPolarHBondContact O-CB 3.47Å; P365-E369 PolarHBondContact O-N 2.69Å; K366-E369 PolarHBondContact O-N 2.99Å; E369-I372 PolarHBondContact O-N 2.76Å; E369-K373 HydrophobicContact CG-CD 3.84Å; E369-K373 HydrophobicContact CG-CG 4.33Å; E369-K373 WeakPolarHBondContact O-CB 3.4Å; E369-K373 WeakPolarHBondContact O-CG 3.47Å; E369-K373 PolarHBondContact O-N 3.05Å; E369-K373 VanDerWaalsContact OE1-CE 3.3Å; E369-K373 WeakPolarHBondContact OE1-CE 3.48Å; E369-K373 IonicContact OE1-NZ 2.63Å; E369-K373 PolarHBondContact OE1-NZ 2.96Å
370Y98.3Very high96.1Very high42 Ų4243.1 Ų43.117%0.16522%0.217CC..Hα-helixtrans-59.9-44.8173.5174.8-93.2000112K366 Q367 V368 I372 K373 E374 K375 E404 A405 V409K366-Y370 PolarHBondContact O-N 2.85Å; Q367-Y370 PolarHBondContact O-N 3.24Å; V368-Y370 PolarHBondContact O-N 3.4Å; Y370-I372 VanDerWaalsContact C-N 3.3Å; Y370-I372 PolarHBondContact O-N 3.4Å; Y370-K373 PolarHBondContact O-N 2.96Å; Y370-E374 HydrophobicContact CD2-CB 3.92Å; Y370-E374 HydrophobicContact CD2-CG 3.53Å; Y370-E374 HydrophobicContact CE2-CB 3.8Å; Y370-E374 HydrophobicContact CE2-CG 3.68Å; Y370-E374 HydrophobicContact CG-CB 4.4Å; Y370-E374 HydrophobicContact CG-CG 4.28Å; Y370-E374 VanDerWaalsContact O-CB 3.32Å; Y370-E374 WeakPolarHBondContact O-CB 3.45Å; Y370-E374 PolarHBondContact O-N 2.89Å; Y370-K375 HydrophobicContact CD1-CG 4.39Å; Y370-K375 HydrophobicContact CE1-CG 3.93Å; Y370-K375 PolarHBondContact O-N 3.14Å; Y370-K375 VanDerWaalsContact OH-CE 3.24Å; Y370-K375 WeakPolarHBondContact OH-CE 3.43Å; Y370-E404 HydrophobicContact CE1-CB 4.22Å; Y370-E404 PolarHBondContact OH-OE2 3.42Å; Y370-E404 VanDerWaalsContact OH-OE2 3.13Å; Y370-A405 HydrophobicContact CD1-CB 3.7Å; Y370-A405 HydrophobicContact CE1-CB 4.18Å; Y370-V409 HydrophobicContact CD1-CG2 4.29Å; Y370-V409 HydrophobicContact CD2-CG2 3.83Å; Y370-V409 HydrophobicContact CE2-CG2 4.48Å; Y370-V409 HydrophobicContact CG-CG2 3.71Å
371L98.4Very high96.1Very high1 Ų145.5 Ų45.51%0.00524%0.241CC..Hα-helixtrans-59.9-40.4176.9-75.6174.4000112.3L363 Q367 V368 K375 H376 V377 L379 A401 I402 A405L363-L371 HydrophobicContact CD1-CD1 3.61Å; Q367-L371 WeakPolarHBondContact O-CG 3.39Å; Q367-L371 PolarHBondContact O-N 2.98Å; V368-L371 WeakPolarHBondContact O-CB 3.33Å; V368-L371 PolarHBondContact O-N 2.97Å; L371-K375 HydrophobicContact CD2-CB 4.43Å; L371-K375 HydrophobicContact CD2-CG 4.43Å; L371-K375 CarbonylContact O-C 3.24Å; L371-K375 VanDerWaalsContact O-C 3.24Å; L371-K375 WeakPolarHBondContact O-CA 3.31Å; L371-K375 WeakPolarHBondContact O-CB 3.34Å; L371-K375 PolarHBondContact O-N 2.67Å; L371-H376 PolarHBondContact O-N 3.14Å; L371-V377 CarbonylContact C-O 3.44Å; L371-V377 HydrophobicContact CB-CB 4.31Å; L371-V377 PolarHBondContact O-N 3.39Å; L371-L379 HydrophobicContact CB-CD2 3.84Å; L371-L379 HydrophobicContact CD1-CD1 3.91Å; L371-L379 HydrophobicContact CD1-CD2 3.97Å; L371-A401 VanDerWaalsContact CD2-C 3.48Å; L371-A401 HydrophobicContact CD2-CB 3.66Å; L371-A401 WeakPolarHBondContact CD2-O 3.38Å; L371-I402 HydrophobicContact CD1-CG1 4.31Å; L371-I402 HydrophobicContact CD2-CG1 4.49Å; L371-A405 HydrophobicContact CD2-CB 4.08Å; L371-A405 HydrophobicContact CG-CB 4Å
372I97.6Very high96.1Very high43 Ų4348.5 Ų48.522%0.22126%0.262CS..Hα-helixtrans-70.4-53.1178.2-67.1171000110.5L18 V368 E369 Y370 H376 V377 Y378 L379L18-I372 HydrophobicContact CD1-CD1 4.07Å; V368-I372 HydrophobicContact CG1-CD1 3.91Å; V368-I372 WeakPolarHBondContact O-CG1 3.2Å; V368-I372 PolarHBondContact O-N 2.82Å; E369-I372 PolarHBondContact O-N 2.76Å; Y370-I372 VanDerWaalsContact C-N 3.3Å; Y370-I372 PolarHBondContact O-N 3.4Å; I372-H376 WeakPolarHBondContact O-CA 3.24Å; I372-H376 PolarHBondContact O-N 3.22Å; I372-V377 WeakPolarHBondContact CG1-O 3.37Å; I372-V377 PolarHBondContact N-O 2.98Å; I372-Y378 HydrophobicContact CG2-CD1 4.28Å; I372-Y378 HydrophobicContact CG2-CE1 4.02Å; I372-L379 HydrophobicContact CG1-CD2 4.16Å
373K96.9Very high96.3Very high129 Ų12946.4 Ų46.456%0.56124%0.241SC*.Hα-helixtrans-76.1-42.6-170.1-70.4-175.4174.1177.40113.8E369 Y370E369-K373 HydrophobicContact CG-CD 3.84Å; E369-K373 HydrophobicContact CG-CG 4.33Å; E369-K373 WeakPolarHBondContact O-CB 3.4Å; E369-K373 WeakPolarHBondContact O-CG 3.47Å; E369-K373 PolarHBondContact O-N 3.05Å; E369-K373 VanDerWaalsContact OE1-CE 3.3Å; E369-K373 WeakPolarHBondContact OE1-CE 3.48Å; E369-K373 IonicContact OE1-NZ 2.63Å; E369-K373 PolarHBondContact OE1-NZ 2.96Å; Y370-K373 PolarHBondContact O-N 2.96Å
374E97.8Very high96.4Very high122 Ų12247.1 Ų47.157%0.5724%0.243SC*.Hα-helixtrans-99.9-23.1-171.9-55.5-59.7146.400112.5Y370Y370-E374 HydrophobicContact CD2-CB 3.92Å; Y370-E374 HydrophobicContact CD2-CG 3.53Å; Y370-E374 HydrophobicContact CE2-CB 3.8Å; Y370-E374 HydrophobicContact CE2-CG 3.68Å; Y370-E374 HydrophobicContact CG-CB 4.4Å; Y370-E374 HydrophobicContact CG-CG 4.28Å; Y370-E374 VanDerWaalsContact O-CB 3.32Å; Y370-E374 WeakPolarHBondContact O-CB 3.45Å; Y370-E374 PolarHBondContact O-N 2.89Å
375K98.3Very high96.5Very high31 Ų3145 Ų4514%0.13523%0.231CC..Hα-helixtrans-119.3-1.4-175.4-54.3-65.9179.9176.20113.5Y370 L371 V377 Y397 A401 E404Y370-K375 HydrophobicContact CD1-CG 4.39Å; Y370-K375 HydrophobicContact CE1-CG 3.93Å; Y370-K375 PolarHBondContact O-N 3.14Å; Y370-K375 VanDerWaalsContact OH-CE 3.24Å; Y370-K375 WeakPolarHBondContact OH-CE 3.43Å; L371-K375 HydrophobicContact CD2-CB 4.43Å; L371-K375 HydrophobicContact CD2-CG 4.43Å; L371-K375 CarbonylContact O-C 3.24Å; L371-K375 VanDerWaalsContact O-C 3.24Å; L371-K375 WeakPolarHBondContact O-CA 3.31Å; L371-K375 WeakPolarHBondContact O-CB 3.34Å; L371-K375 PolarHBondContact O-N 2.67Å; K375-V377 HydrophobicContact CB-CG2 4.17Å; K375-V377 WeakPolarHBondContact O-CG2 3.39Å; K375-V377 PolarHBondContact O-N 2.9Å; K375-Y397 WeakPolarHBondContact O-CE1 3.42Å; K375-Y397 PolarHBondContact O-OH 2.82Å; K375-A401 HydrophobicContact CB-CB 3.9Å; K375-A401 HydrophobicContact CD-CB 4.22Å; K375-A401 HydrophobicContact CG-CB 3.86Å; K375-E404 VanDerWaalsContact CE-OE2 3.24Å; K375-E404 WeakPolarHBondContact CE-OE2 3.35Å; K375-E404 IonicContact NZ-OE1 3.33Å; K375-E404 PolarHBondContact NZ-OE1 3.37Å; K375-E404 IonicContact NZ-OE2 2.74Å; K375-E404 PolarHBondContact NZ-OE2 2.85Å
376H98.3Very high96.5Very high42 Ų4240.7 Ų40.719%0.19420%0.203CC..  trans53.229.5179.6-54-88.2000113.1D25 H27 K30 V31 L371 I372 Y378D25-H376 IonicContact OD1-CE1 2.75Å; D25-H376 IonicContact OD1-ND1 3.87Å; D25-H376 PolarHBondContact OD1-ND1 3.43Å; D25-H376 IonicContact OD2-CE1 2.54Å; D25-H376 IonicContact OD2-CG 2.63Å; D25-H376 IonicContact OD2-ND1 3.83Å; D25-H376 PolarHBondContact OD2-ND1 3.06Å; H27-H376 HydrophobicContact CB-CB 4.12Å; H27-H376 WeakPolarHBondContact CB-ND1 3.4Å; H27-H376 AromaticContact CD2-CD2 3.36Å; H27-H376 PolarHBondContact CD2-CD2 2.99Å; H27-H376 AromaticContact CD2-CE1 3.88Å; H27-H376 AromaticContact CD2-NE2 3.24Å; H27-H376 PolarHBondContact CD2-NE2 3.02Å; H27-H376 AromaticContact CE1-CD2 3.88Å; H27-H376 AromaticContact CG-CD2 3.31Å; H27-H376 AromaticContact CG-CE1 3.87Å; H27-H376 AromaticContact CG-CG 3.52Å; H27-H376 AromaticContact CG-ND1 3.86Å; H27-H376 AromaticContact CG-NE2 3.54Å; H27-H376 AromaticContact ND1-CD2 3.63Å; H27-H376 AromaticContact ND1-CG 3.86Å; H27-H376 AromaticContact NE2-CD2 3.77Å; H27-H376 AromaticContact NE2-NE2 3.94Å; K30-H376 CarbonylContact C-O 3.54Å; K30-H376 VanDerWaalsContact CA-O 3.25Å; K30-H376 WeakPolarHBondContact CA-O 3.5Å; K30-H376 HydrophobicContact CB-CB 3.96Å; V31-H376 PolarHBondContact N-O 2.99Å; L371-H376 PolarHBondContact O-N 3.14Å; I372-H376 WeakPolarHBondContact O-CA 3.24Å; I372-H376 PolarHBondContact O-N 3.22Å; H376-Y378 HydrophobicContact CB-CE2 4.45Å; H376-Y378 WeakPolarHBondContact O-CD2 3.33Å
377V98.3Very high96.5Very high1 Ų135 Ų351%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-102.6107.8176.4179.20000108.2V31 L33 L371 I372 K375 L379 Y397 A401V31-V377 HydrophobicContact CB-CG2 4.44Å; L33-V377 HydrophobicContact CD1-CG1 3.69Å; L33-V377 HydrophobicContact CG-CG1 4.23Å; L371-V377 CarbonylContact C-O 3.44Å; L371-V377 HydrophobicContact CB-CB 4.31Å; L371-V377 PolarHBondContact O-N 3.39Å; I372-V377 WeakPolarHBondContact CG1-O 3.37Å; I372-V377 PolarHBondContact N-O 2.98Å; K375-V377 HydrophobicContact CB-CG2 4.17Å; K375-V377 WeakPolarHBondContact O-CG2 3.39Å; K375-V377 PolarHBondContact O-N 2.9Å; V377-L379 VanDerWaalsContact O-CD2 3.23Å; V377-L379 WeakPolarHBondContact O-CD2 3.49Å; V377-Y397 HydrophobicContact CG2-CD1 4.33Å; V377-Y397 HydrophobicContact CG2-CE1 3.91Å; V377-A401 HydrophobicContact CG2-CB 4.25Å
378Y97.7Very high96.3Very high19 Ų1934 Ų348%0.07517%0.174CC..EExtended strand (participates in β ladder)trans-91.3115.6-173.3-68.9-102.1000111L18 D21 F22 D25 K30 V31 L33 G34 I372 H376L18-Y378 HydrophobicContact CD1-CD1 3.75Å; L18-Y378 HydrophobicContact CD1-CG 4.37Å; L18-Y378 HydrophobicContact CG-CD1 4.33Å; D21-Y378 HydrophobicContact CB-CD1 4.39Å; D21-Y378 HydrophobicContact CB-CE1 3.8Å; F22-Y378 HydrophobicContact CB-CD1 4Å; F22-Y378 HydrophobicContact CB-CD2 4.08Å; F22-Y378 HydrophobicContact CB-CE1 4.31Å; F22-Y378 HydrophobicContact CB-CE2 4.38Å; F22-Y378 HydrophobicContact CB-CG 3.89Å; F22-Y378 AromaticContact CD2-CD2 3.66Å; F22-Y378 HydrophobicContact CD2-CD2 3.66Å; F22-Y378 HydrophobicContact CD2-CE2 4.09Å; F22-Y378 HydrophobicContact CD2-CG 4.18Å; F22-Y378 HydrophobicContact CG-CD2 4.37Å; D25-Y378 HydrophobicContact CB-CE2 4.33Å; D25-Y378 VanDerWaalsContact CB-OH 3.28Å; D25-Y378 WeakPolarHBondContact CB-OH 3.45Å; D25-Y378 VanDerWaalsContact OD2-CE2 3.3Å; D25-Y378 WeakPolarHBondContact OD2-CE2 3.3Å; D25-Y378 PolarHBondContact OD2-OH 3.12Å; K30-Y378 HydrophobicContact CB-CE2 4.49Å; V31-Y378 PolarHBondContact O-N 3.08Å; L33-Y378 CarbonylContact C-O 3.32Å; L33-Y378 VanDerWaalsContact C-O 3.32Å; L33-Y378 VanDerWaalsContact CA-O 3.27Å; L33-Y378 WeakPolarHBondContact CA-O 3.37Å; L33-Y378 WeakPolarHBondContact CB-O 3.47Å; L33-Y378 PolarHBondContact N-O 3.41Å; G34-Y378 PolarHBondContact N-O 3.26Å; G34-Y378 VanDerWaalsContact N-O 3.16Å; I372-Y378 HydrophobicContact CG2-CD1 4.28Å; I372-Y378 HydrophobicContact CG2-CE1 4.02Å; H376-Y378 HydrophobicContact CB-CE2 4.45Å; H376-Y378 WeakPolarHBondContact O-CD2 3.33Å
379L96.9Very high96.3Very high2 Ų234 Ų341%0.0118%0.175CC..  trans-140.8165.2178.469.2174000110.7L18 L33 L363 V368 L371 I372 V377 I385L18-L379 WeakPolarHBondContact CD2-O 3.46Å; L33-L379 HydrophobicContact CB-CB 4.38Å; L363-L379 HydrophobicContact CD1-CD1 4.01Å; V368-L379 HydrophobicContact CB-CD2 4.4Å; V368-L379 HydrophobicContact CB-CG 4.49Å; V368-L379 HydrophobicContact CG1-CD2 3.75Å; V368-L379 HydrophobicContact CG1-CG 3.86Å; V368-L379 HydrophobicContact CG2-CD1 4.09Å; V368-L379 HydrophobicContact CG2-CG 4.14Å; L371-L379 HydrophobicContact CB-CD2 3.84Å; L371-L379 HydrophobicContact CD1-CD1 3.91Å; L371-L379 HydrophobicContact CD1-CD2 3.97Å; I372-L379 HydrophobicContact CG1-CD2 4.16Å; V377-L379 VanDerWaalsContact O-CD2 3.23Å; V377-L379 WeakPolarHBondContact O-CD2 3.49Å; L379-I385 HydrophobicContact CB-CG2 3.88Å; L379-I385 HydrophobicContact CD1-CG2 3.7Å; L379-I385 HydrophobicContact CG-CG2 4.47Å
380M94.9Very high96.3Very high23 Ų2329.4 Ų29.411%0.11315%0.153CC..  trans-68.9147.3179.5-60.6-60.5-63.200110.8A14 V15 L18 S382 G383 R384A14-M380 HydrophobicContact CB-CE 3.94Å; V15-M380 HydrophobicContact CB-CE 4.42Å; V15-M380 HydrophobicContact CB-SD 4.16Å; V15-M380 HydrophobicContact CG2-SD 4.33Å; L18-M380 HydrophobicContact CD2-SD 3.98Å; M380-S382 PolarHBondContact O-N 2.85Å; M380-G383 PolarHBondContact O-N 3.23Å; M380-R384 HydrophobicContact CB-CB 3.97Å; M380-R384 HydrophobicContact CG-CB 4.04Å; M380-R384 VanDerWaalsContact CG-CZ 3.42Å; M380-R384 PolarHBondContact N-O 3.42Å; M380-R384 PolarHBondContact SD-NH2 3.33Å; M380-R384 VanDerWaalsContact SD-NH2 3.36Å
381A92.6Very high96.2Very high72 Ų7227.6 Ų27.660%0.59515%0.147SC*.THydrogen-bonded Turntrans-54.1-24.2176.600000114.2G383A381-G383 PolarHBondContact O-N 2.81Å
382S91.3Very high96.1Very high62 Ų6230.5 Ų30.543%0.43417%0.167SC..THydrogen-bonded Turntrans-77.5-0.5174.854.60000114.7F360 M380 R384F360-S382 WeakPolarHBondContact CE2-O 3.45Å; F360-S382 WeakPolarHBondContact CE2-OG 3.38Å; M380-S382 PolarHBondContact O-N 2.85Å; S382-R384 VanDerWaalsContact C-N 3.3Å
383G93.2Very high96.1Very high0 Ų035.3 Ų35.30%019%0.186CC..SBendtrans79.28.3-173.600000114.1T361 M380 A381 I385T361-G383 WeakPolarHBondContact CB-O 3.43Å; T361-G383 WeakPolarHBondContact CG2-O 3.34Å; T361-G383 PolarHBondContact N-O 3Å; T361-G383 VanDerWaalsContact N-O 3.17Å; T361-G383 PolarHBondContact OG1-O 3.35Å; M380-G383 PolarHBondContact O-N 3.23Å; A381-G383 PolarHBondContact O-N 2.81Å; G383-I385 PolarHBondContact O-N 3.33Å
384R95.4Very high96.1Very high23 Ų2330 Ų309%0.08716%0.164CC..EExtended strand (participates in β ladder)trans-68.1126.2172.2-168.8-164.374.7-158.5-1.1110.6G34 P193 F358 S359 F360 M380 S382G34-R384 PolarHBondContact O-NH2 2.94Å; P193-R384 HydrophobicContact CB-CB 4.4Å; P193-R384 HydrophobicContact CB-CG 3.99Å; F358-R384 HydrophobicContact CB-CG 3.99Å; F358-R384 HydrophobicContact CD1-CG 4.17Å; F358-R384 HydrophobicContact CG-CG 4.23Å; S359-R384 WeakPolarHBondContact O-CA 3.27Å; F360-R384 HydrophobicContact CD2-CB 3.76Å; F360-R384 HydrophobicContact CD2-CG 4.3Å; F360-R384 HydrophobicContact CE2-CB 3.78Å; M380-R384 HydrophobicContact CB-CB 3.97Å; M380-R384 HydrophobicContact CG-CB 4.04Å; M380-R384 VanDerWaalsContact CG-CZ 3.42Å; M380-R384 PolarHBondContact N-O 3.42Å; M380-R384 PolarHBondContact SD-NH2 3.33Å; M380-R384 VanDerWaalsContact SD-NH2 3.36Å; S382-R384 VanDerWaalsContact C-N 3.3Å
385I96.4Very high96.1Very high0 Ų024.2 Ų24.20%014%0.137CC..EExtended strand (participates in β ladder)trans-113.6148.2168.264.3173.2000111.1L33 L335 F358 S359 T361 L379 G383 M387L33-I385 HydrophobicContact CB-CB 4.03Å; L33-I385 HydrophobicContact CB-CG2 4.13Å; L33-I385 HydrophobicContact CD1-CB 4.26Å; L33-I385 HydrophobicContact CD1-CG2 3.95Å; L33-I385 CarbonylContact O-C 3.47Å; L33-I385 WeakPolarHBondContact O-CA 3.5Å; L335-I385 HydrophobicContact CD2-CD1 3.77Å; F358-I385 CarbonylContact C-O 3.24Å; F358-I385 VanDerWaalsContact CA-O 3.24Å; F358-I385 WeakPolarHBondContact CA-O 3.47Å; S359-I385 PolarHBondContact N-O 3.24Å; S359-I385 PolarHBondContact O-N 3.12Å; T361-I385 HydrophobicContact CG2-CB 4.34Å; T361-I385 HydrophobicContact CG2-CD1 3.64Å; T361-I385 HydrophobicContact CG2-CG1 3.7Å; T361-I385 HydrophobicContact CG2-CG2 3.79Å; L379-I385 HydrophobicContact CB-CG2 3.88Å; L379-I385 HydrophobicContact CD1-CG2 3.7Å; L379-I385 HydrophobicContact CG-CG2 4.47Å; G383-I385 PolarHBondContact O-N 3.33Å; I385-M387 HydrophobicContact CD1-SD 3.57Å; I385-M387 VanDerWaalsContact CD1-SD 3.57Å; I385-M387 HydrophobicContact CG1-SD 3.86Å
386N95.6Very high96.1Very high1 Ų127 Ų271%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-91.2114.4165.4173.517000109.1L33 V35 A37 M357 F358 C388 G389L33-N386 WeakPolarHBondContact O-CB 3.41Å; L33-N386 PolarHBondContact O-N 2.86Å; V35-N386 WeakPolarHBondContact O-CB 3.38Å; V35-N386 PolarHBondContact O-ND2 2.98Å; A37-N386 PolarHBondContact O-ND2 2.7Å; A37-N386 VanDerWaalsContact O-ND2 3.09Å; M357-N386 WeakPolarHBondContact CG-OD1 3.36Å; M357-N386 PolarHBondContact O-OD1 2.95Å; F358-N386 HydrophobicContact CD1-CB 4.12Å; F358-N386 HydrophobicContact CE1-CB 4.08Å; N386-C388 PolarHBondContact O-N 3.13Å; N386-C388 VanDerWaalsContact O-N 3.14Å; N386-C388 WeakPolarHBondContact OD1-CB 3.35Å; N386-C388 PolarHBondContact OD1-N 3.35Å; N386-C388 PolarHBondContact OD1-SG 3.08Å; N386-C388 VanDerWaalsContact OD1-SG 3.33Å; N386-G389 PolarHBondContact O-N 3.02Å
387M96Very high96.1Very high0 Ų027.4 Ų27.40%015%0.154CC..G310 helixtrans-62.6-20.9178.1-59.1-49.1-72.900112.7R327 V328 R332 L335 I351 M357 I385 G389 L390R327-M387 PolarHBondContact NH2-O 3.34Å; V328-M387 HydrophobicContact CG1-CB 4.01Å; R332-M387 HydrophobicContact CB-CE 4.09Å; R332-M387 HydrophobicContact CG-CE 3.5Å; R332-M387 VanDerWaalsContact CG-CE 3.5Å; R332-M387 HydrophobicContact CG-CG 3.9Å; R332-M387 HydrophobicContact CG-SD 4.36Å; L335-M387 HydrophobicContact CB-CE 4.35Å; L335-M387 HydrophobicContact CD2-CE 3.91Å; I351-M387 HydrophobicContact CG2-CE 4.07Å; M357-M387 PolarHBondContact O-N 3.04Å; I385-M387 HydrophobicContact CD1-SD 3.57Å; I385-M387 VanDerWaalsContact CD1-SD 3.57Å; I385-M387 HydrophobicContact CG1-SD 3.86Å; M387-G389 PolarHBondContact O-N 3.28Å; M387-L390 HydrophobicContact CE-CD1 3.44Å; M387-L390 VanDerWaalsContact CE-CD1 3.44Å; M387-L390 PolarHBondContact O-N 3.4Å; M387-L390 HydrophobicContact SD-CD1 4.03Å
388C94.9Very high96.1Very high0 Ų027.3 Ų27.30%015%0.153CC..G310 helixtrans-71.1-17.2175.2-52.30000113.2Y38 R39 R327 V328 M357 N386 L390Y38-C388 HydrophobicContact CD2-CB 4.33Å; R39-C388 WeakPolarHBondContact CB-O 3.46Å; R327-C388 PolarHBondContact NH2-O 3.23Å; R327-C388 VanDerWaalsContact NH2-O 3.08Å; V328-C388 VanDerWaalsContact CG2-SG 3.55Å; M357-C388 HydrophobicContact CE-CB 4.1Å; M357-C388 VanDerWaalsContact CE-SG 3.5Å; N386-C388 PolarHBondContact O-N 3.13Å; N386-C388 VanDerWaalsContact O-N 3.14Å; N386-C388 WeakPolarHBondContact OD1-CB 3.35Å; N386-C388 PolarHBondContact OD1-N 3.35Å; N386-C388 PolarHBondContact OD1-SG 3.08Å; N386-C388 VanDerWaalsContact OD1-SG 3.33Å; C388-L390 VanDerWaalsContact C-N 3.29Å
389G95.8Very high96.2Very high4 Ų426.6 Ų26.64%0.04115%0.151CC..G310 helixtrans-79.5-11.5174.800000113.9N386 M387 N394N386-G389 PolarHBondContact O-N 3.02Å; M387-G389 PolarHBondContact O-N 3.28Å; G389-N394 PolarHBondContact O-ND2 3.48Å
390L97.3Very high96.3Very high0 Ų030.1 Ų30.10%017%0.168CC..  trans-82.2143.2176-60.8171000110.7L33 R327 M331 L335 M387 C388 N394 V398L33-L390 HydrophobicContact CD1-CD2 4.39Å; L33-L390 HydrophobicContact CD2-CD2 3.86Å; L33-L390 HydrophobicContact CD2-CG 4.12Å; R327-L390 VanDerWaalsContact CZ-O 3.24Å; R327-L390 PolarHBondContact NH1-O 3.48Å; R327-L390 PolarHBondContact NH2-O 2.56Å; M331-L390 HydrophobicContact CB-CB 4.07Å; M331-L390 HydrophobicContact CB-CD1 4.29Å; M331-L390 HydrophobicContact CG-CB 4.07Å; M331-L390 HydrophobicContact SD-CB 3.92Å; L335-L390 HydrophobicContact CB-CD1 4.24Å; L335-L390 HydrophobicContact CD2-CD1 3.93Å; M387-L390 HydrophobicContact CE-CD1 3.44Å; M387-L390 VanDerWaalsContact CE-CD1 3.44Å; M387-L390 PolarHBondContact O-N 3.4Å; M387-L390 HydrophobicContact SD-CD1 4.03Å; C388-L390 VanDerWaalsContact C-N 3.29Å; L390-N394 WeakPolarHBondContact CA-OD1 3.28Å; L390-V398 HydrophobicContact CD2-CB 4.05Å; L390-V398 HydrophobicContact CD2-CG1 3.82Å; L390-V398 HydrophobicContact CD2-CG2 4.03Å
391T97.1Very high96.4Very high4 Ų429.1 Ų29.13%0.02516%0.163CC..  trans-140.8163.6178.668.40000110.1D41 C43 K393 N394 I395D41-T391 VanDerWaalsContact O-CB 3.24Å; D41-T391 WeakPolarHBondContact O-CB 3.42Å; D41-T391 WeakPolarHBondContact O-CG2 3.45Å; D41-T391 VanDerWaalsContact OD1-CA 3.3Å; D41-T391 WeakPolarHBondContact OD1-CA 3.29Å; D41-T391 WeakPolarHBondContact OD1-CB 3.39Å; C43-T391 WeakPolarHBondContact SG-CG2 3.28Å; T391-K393 PolarHBondContact O-N 2.75Å; T391-K393 PolarHBondContact OG1-N 3.37Å; T391-N394 PolarHBondContact N-OD1 2.74Å; T391-N394 PolarHBondContact O-N 2.89Å; T391-N394 PolarHBondContact O-OD1 3.12Å; T391-N394 PolarHBondContact OG1-N 3.34Å; T391-I395 VanDerWaalsContact O-CB 3.27Å; T391-I395 WeakPolarHBondContact O-CB 3.17Å; T391-I395 WeakPolarHBondContact O-CG2 3.45Å; T391-I395 PolarHBondContact O-N 3.49Å
392S96.4Very high96.7Very high63 Ų6325.8 Ų25.844%0.44114%0.135SC..THydrogen-bonded Turntrans-54.3-23.6172.171.20000112.8D41D41-S392 PolarHBondContact OD1-N 3.04Å; D41-S392 WeakPolarHBondContact OD2-CB 3.38Å; D41-S392 PolarHBondContact OD2-OG 3.44Å
393K96.6Very high97.1Very high143 Ų14324.6 Ų24.662%0.62212%0.122SC*.THydrogen-bonded Turntrans-91-25.8-175.9-57174.5-176.7176.70113.9D42 T391D42-K393 IonicContact OD1-NZ 3.53Å; D42-K393 PolarHBondContact OD1-NZ 3.49Å; T391-K393 PolarHBondContact O-N 2.75Å; T391-K393 PolarHBondContact OG1-N 3.37Å
394N97.6Very high97.3Very high18 Ų1826 Ų2610%0.09613%0.129CC..THydrogen-bonded Turntrans-113.7-14.1-174.575.416.4000114.3V31 G389 L390 T391 D396 Y397 V398V31-N394 HydrophobicContact CG2-CB 4.12Å; G389-N394 PolarHBondContact O-ND2 3.48Å; L390-N394 WeakPolarHBondContact CA-OD1 3.28Å; T391-N394 PolarHBondContact N-OD1 2.74Å; T391-N394 PolarHBondContact O-N 2.89Å; T391-N394 PolarHBondContact O-OD1 3.12Å; T391-N394 PolarHBondContact OG1-N 3.34Å; N394-D396 VanDerWaalsContact C-N 3.27Å; N394-D396 PolarHBondContact O-N 3.38Å; N394-Y397 WeakPolarHBondContact O-CB 3.36Å; N394-Y397 PolarHBondContact O-N 3.42Å; N394-Y397 VanDerWaalsContact O-N 3.1Å; N394-V398 WeakPolarHBondContact O-CG2 3.49Å; N394-V398 PolarHBondContact O-N 3.15Å
395I98.1Very high97.4Very high1 Ų125 Ų251%0.00513%0.125CC..Hα-helixtrans-64.9-32-169.8-166.3161.7000112.9M331 Q334 L335 K338 T391 V398 S399M331-I395 HydrophobicContact SD-CD1 4.16Å; Q334-I395 HydrophobicContact CB-CD1 3.45Å; Q334-I395 VanDerWaalsContact CB-CD1 3.45Å; L335-I395 HydrophobicContact CB-CD1 4.26Å; K338-I395 HydrophobicContact CD-CG1 4.04Å; K338-I395 HydrophobicContact CD-CG2 4.01Å; T391-I395 VanDerWaalsContact O-CB 3.27Å; T391-I395 WeakPolarHBondContact O-CB 3.17Å; T391-I395 WeakPolarHBondContact O-CG2 3.45Å; T391-I395 PolarHBondContact O-N 3.49Å; I395-V398 PolarHBondContact O-N 3.47Å; I395-S399 WeakPolarHBondContact O-CB 2.92Å; I395-S399 PolarHBondContact O-N 3.29Å; I395-S399 PolarHBondContact O-OG 3.33Å; I395-S399 VanDerWaalsContact O-OG 3.12Å
396D98.4Very high97.4Very high89 Ų8926.4 Ų26.448%0.47613%0.134SC..Hα-helixtrans-62.7-50.6172.7-74.7-50000111.2K338 N394 V398 S399 Q400K338-D396 WeakPolarHBondContact CD-OD1 3.41Å; K338-D396 WeakPolarHBondContact CE-OD1 3.5Å; K338-D396 VanDerWaalsContact NZ-CG 3.33Å; K338-D396 IonicContact NZ-OD1 3.24Å; K338-D396 PolarHBondContact NZ-OD1 2.97Å; K338-D396 IonicContact NZ-OD2 3.56Å; K338-D396 PolarHBondContact NZ-OD2 2.82Å; N394-D396 VanDerWaalsContact C-N 3.27Å; N394-D396 PolarHBondContact O-N 3.38Å; D396-V398 VanDerWaalsContact C-N 3.33Å; D396-V398 PolarHBondContact O-N 3.21Å; D396-S399 PolarHBondContact O-N 3.01Å; D396-S399 PolarHBondContact O-OG 2.89Å; D396-Q400 WeakPolarHBondContact O-CB 3.41Å; D396-Q400 PolarHBondContact O-N 3.4Å
397Y98.6Very high97.5Very high50 Ų5029.6 Ų29.620%0.19615%0.154CC..Hα-helixtrans-58.1-45.6177-179.1-106.2000112Q29 V31 K375 V377 N394 Q400 A401Q29-Y397 HydrophobicContact CB-CE1 4.2Å; Q29-Y397 HydrophobicContact CB-CE2 4.43Å; V31-Y397 HydrophobicContact CG2-CD1 4.29Å; K375-Y397 WeakPolarHBondContact O-CE1 3.42Å; K375-Y397 PolarHBondContact O-OH 2.82Å; V377-Y397 HydrophobicContact CG2-CD1 4.33Å; V377-Y397 HydrophobicContact CG2-CE1 3.91Å; N394-Y397 WeakPolarHBondContact O-CB 3.36Å; N394-Y397 PolarHBondContact O-N 3.42Å; N394-Y397 VanDerWaalsContact O-N 3.1Å; Y397-Q400 PolarHBondContact O-N 3.43Å; Y397-A401 VanDerWaalsContact O-CB 3.28Å; Y397-A401 WeakPolarHBondContact O-CB 3.39Å; Y397-A401 PolarHBondContact O-N 2.74Å
398V98.4Very high97.4Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-64.5-45.3179.1174.50000111.3V31 L33 L390 N394 I395 D396 Q400 A401 I402V31-V398 HydrophobicContact CB-CG2 4.32Å; V31-V398 HydrophobicContact CG1-CG2 4.04Å; V31-V398 HydrophobicContact CG2-CG2 4.05Å; L33-V398 HydrophobicContact CD1-CG1 3.97Å; L390-V398 HydrophobicContact CD2-CB 4.05Å; L390-V398 HydrophobicContact CD2-CG1 3.82Å; L390-V398 HydrophobicContact CD2-CG2 4.03Å; N394-V398 WeakPolarHBondContact O-CG2 3.49Å; N394-V398 PolarHBondContact O-N 3.15Å; I395-V398 PolarHBondContact O-N 3.47Å; D396-V398 VanDerWaalsContact C-N 3.33Å; D396-V398 PolarHBondContact O-N 3.21Å; V398-Q400 VanDerWaalsContact C-N 3.35Å; V398-Q400 PolarHBondContact O-N 3.04Å; V398-A401 PolarHBondContact O-N 3.22Å; V398-I402 HydrophobicContact CG1-CD1 3.83Å; V398-I402 HydrophobicContact CG1-CG1 4.41Å; V398-I402 WeakPolarHBondContact O-CG1 3.3Å; V398-I402 PolarHBondContact O-N 2.98Å
399S98.5Very high97.3Very high4 Ų437.3 Ų37.33%0.02819%0.189CC..Hα-helixtrans-61.9-41.9178.5650000112.3I395 D396 I402 H403I395-S399 WeakPolarHBondContact O-CB 2.92Å; I395-S399 PolarHBondContact O-N 3.29Å; I395-S399 PolarHBondContact O-OG 3.33Å; I395-S399 VanDerWaalsContact O-OG 3.12Å; D396-S399 PolarHBondContact O-N 3.01Å; D396-S399 PolarHBondContact O-OG 2.89Å; S399-I402 PolarHBondContact O-N 3.4Å; S399-H403 WeakPolarHBondContact O-CB 3.48Å; S399-H403 PolarHBondContact O-N 3.29Å
400Q98.6Very high96.4Very high76 Ų7646.9 Ų46.936%0.35523%0.233SC..Hα-helixtrans-64.9-43.1175.3-174.861.439.300111.7D396 Y397 V398 I402 H403 E404D396-Q400 WeakPolarHBondContact O-CB 3.41Å; D396-Q400 PolarHBondContact O-N 3.4Å; Y397-Q400 PolarHBondContact O-N 3.43Å; V398-Q400 VanDerWaalsContact C-N 3.35Å; V398-Q400 PolarHBondContact O-N 3.04Å; Q400-I402 PolarHBondContact O-N 3.36Å; Q400-H403 PolarHBondContact O-N 3.37Å; Q400-E404 WeakPolarHBondContact O-CG 3.28Å; Q400-E404 PolarHBondContact O-N 3.35Å
401A98.6Very high96.3Very high1 Ų149.3 Ų49.31%0.00825%0.245CC..Hα-helixtrans-61.1-43.8177.200000111.7L371 K375 V377 Y397 V398 E404 A405L371-A401 VanDerWaalsContact CD2-C 3.48Å; L371-A401 HydrophobicContact CD2-CB 3.66Å; L371-A401 WeakPolarHBondContact CD2-O 3.38Å; K375-A401 HydrophobicContact CB-CB 3.9Å; K375-A401 HydrophobicContact CD-CB 4.22Å; K375-A401 HydrophobicContact CG-CB 3.86Å; V377-A401 HydrophobicContact CG2-CB 4.25Å; Y397-A401 VanDerWaalsContact O-CB 3.28Å; Y397-A401 WeakPolarHBondContact O-CB 3.39Å; Y397-A401 PolarHBondContact O-N 2.74Å; V398-A401 PolarHBondContact O-N 3.22Å; A401-E404 PolarHBondContact O-N 2.8Å; A401-A405 WeakPolarHBondContact O-CB 3.34Å; A401-A405 PolarHBondContact O-N 3.11Å
402I98.4Very high96.3Very high3 Ų351.6 Ų51.62%0.01526%0.256CS..Hα-helixtrans-63.4-46.2175.4-69.9170.2000110.5L335 L339 W348 L363 L371 V398 S399 Q400 E404 A405 V406L335-I402 HydrophobicContact CD1-CD1 4.32Å; L339-I402 HydrophobicContact CD2-CB 3.98Å; L339-I402 HydrophobicContact CD2-CG2 3.65Å; W348-I402 HydrophobicContact CH2-CG2 3.74Å; W348-I402 HydrophobicContact CZ2-CG2 4.08Å; L363-I402 HydrophobicContact CD1-CG1 4.38Å; L363-I402 HydrophobicContact CD2-CG2 4.37Å; L371-I402 HydrophobicContact CD1-CG1 4.31Å; L371-I402 HydrophobicContact CD2-CG1 4.49Å; V398-I402 HydrophobicContact CG1-CD1 3.83Å; V398-I402 HydrophobicContact CG1-CG1 4.41Å; V398-I402 WeakPolarHBondContact O-CG1 3.3Å; V398-I402 PolarHBondContact O-N 2.98Å; S399-I402 PolarHBondContact O-N 3.4Å; Q400-I402 PolarHBondContact O-N 3.36Å; I402-E404 VanDerWaalsContact C-N 3.33Å; I402-E404 PolarHBondContact O-N 2.93Å; I402-A405 PolarHBondContact O-N 3.06Å; I402-V406 HydrophobicContact CG2-CG2 4.42Å; I402-V406 WeakPolarHBondContact O-CG2 3.41Å; I402-V406 PolarHBondContact O-N 3.28Å
403H98.4Very high96.3Very high37 Ų3751 Ų5117%0.17125%0.246CC..Hα-helixtrans-56.8-47.1177.2179.286.1000111.9L342 T344 S399 Q400 V406 T407L342-H403 HydrophobicContact CB-CB 4.44Å; L342-H403 HydrophobicContact CD1-CB 4Å; L342-H403 PolarHBondContact O-CE1 3.31Å; L342-H403 PolarHBondContact O-ND1 2.67Å; T344-H403 VanDerWaalsContact CA-ND1 3.35Å; T344-H403 WeakPolarHBondContact CA-ND1 3.44Å; T344-H403 HydrophobicContact CG2-CB 4.33Å; T344-H403 PolarHBondContact OG1-ND1 2.88Å; S399-H403 WeakPolarHBondContact O-CB 3.48Å; S399-H403 PolarHBondContact O-N 3.29Å; Q400-H403 PolarHBondContact O-N 3.37Å; H403-V406 PolarHBondContact O-N 2.58Å; H403-T407 WeakPolarHBondContact O-CB 3.44Å; H403-T407 WeakPolarHBondContact O-CG2 3.47Å; H403-T407 PolarHBondContact O-N 3.41Å; H403-T407 PolarHBondContact O-OG1 3.09Å
404E98.3Very high96.2Very high30 Ų3045.6 Ų45.614%0.1422%0.224CC..Hα-helixtrans-62.7-42.5175.8-75.8-172.6-125.200112.7Y370 K375 Q400 A401 I402 V406 T407 K408Y370-E404 HydrophobicContact CE1-CB 4.22Å; Y370-E404 PolarHBondContact OH-OE2 3.42Å; Y370-E404 VanDerWaalsContact OH-OE2 3.13Å; K375-E404 VanDerWaalsContact CE-OE2 3.24Å; K375-E404 WeakPolarHBondContact CE-OE2 3.35Å; K375-E404 IonicContact NZ-OE1 3.33Å; K375-E404 PolarHBondContact NZ-OE1 3.37Å; K375-E404 IonicContact NZ-OE2 2.74Å; K375-E404 PolarHBondContact NZ-OE2 2.85Å; Q400-E404 WeakPolarHBondContact O-CG 3.28Å; Q400-E404 PolarHBondContact O-N 3.35Å; A401-E404 PolarHBondContact O-N 2.8Å; I402-E404 VanDerWaalsContact C-N 3.33Å; I402-E404 PolarHBondContact O-N 2.93Å; E404-V406 VanDerWaalsContact C-N 3.32Å; E404-V406 PolarHBondContact O-N 3.1Å; E404-T407 WeakPolarHBondContact CA-OG1 3.15Å; E404-T407 PolarHBondContact O-N 3.5Å; E404-T407 PolarHBondContact O-OG1 3.05Å; E404-K408 HydrophobicContact CB-CD 4.31Å; E404-K408 WeakPolarHBondContact O-CB 3.35Å; E404-K408 WeakPolarHBondContact O-CG 3.42Å; E404-K408 PolarHBondContact O-N 3.35Å; E404-K408 IonicContact OE2-NZ 2.78Å; E404-K408 PolarHBondContact OE2-NZ 3.03Å
405A97.8Very high96.2Very high0 Ų047.3 Ų47.30%023%0.232CC..Hα-helixtrans-59.5-45.3178.100000111Q367 Y370 L371 A401 I402 T407 V409Q367-A405 HydrophobicContact CB-CB 4.23Å; Y370-A405 HydrophobicContact CD1-CB 3.7Å; Y370-A405 HydrophobicContact CE1-CB 4.18Å; L371-A405 HydrophobicContact CD2-CB 4.08Å; L371-A405 HydrophobicContact CG-CB 4Å; A401-A405 WeakPolarHBondContact O-CB 3.34Å; A401-A405 PolarHBondContact O-N 3.11Å; I402-A405 PolarHBondContact O-N 3.06Å; A405-T407 PolarHBondContact O-N 3.29Å; A405-V409 VanDerWaalsContact O-CB 3.28Å; A405-V409 WeakPolarHBondContact O-CB 3.45Å; A405-V409 PolarHBondContact O-N 3.14Å
406V96.4Very high96Very high30 Ų3050.4 Ų50.418%0.18225%0.247CC..Hα-helixtrans-69.8-31.4-178.8174.70000112.5T344 P345 W348 L363 I402 H403 E404T344-V406 HydrophobicContact CG2-CB 4.33Å; T344-V406 HydrophobicContact CG2-CG1 4.44Å; T344-V406 HydrophobicContact CG2-CG2 4.47Å; P345-V406 HydrophobicContact CB-CG1 3.86Å; P345-V406 HydrophobicContact CG-CG1 4.02Å; W348-V406 HydrophobicContact CZ2-CG2 4.26Å; L363-V406 HydrophobicContact CD2-CG2 3.61Å; I402-V406 HydrophobicContact CG2-CG2 4.42Å; I402-V406 WeakPolarHBondContact O-CG2 3.41Å; I402-V406 PolarHBondContact O-N 3.28Å; H403-V406 PolarHBondContact O-N 2.58Å; E404-V406 VanDerWaalsContact C-N 3.32Å; E404-V406 PolarHBondContact O-N 3.1Å
407T96.7Very high95.9Very high69 Ų6947.6 Ų47.642%0.42323%0.231SC..Hα-helixtrans-89.4-30.5-177.850.30000113.7P345 H403 E404 A405P345-T407 HydrophobicContact CG-CG2 3.92Å; H403-T407 WeakPolarHBondContact O-CB 3.44Å; H403-T407 WeakPolarHBondContact O-CG2 3.47Å; H403-T407 PolarHBondContact O-N 3.41Å; H403-T407 PolarHBondContact O-OG1 3.09Å; E404-T407 WeakPolarHBondContact CA-OG1 3.15Å; E404-T407 PolarHBondContact O-N 3.5Å; E404-T407 PolarHBondContact O-OG1 3.05Å; A405-T407 PolarHBondContact O-N 3.29Å
408K95.6Very high95.7Very high133 Ų13347.5 Ų47.558%0.57823%0.233SC*.Hα-helixtrans-98-25.4-176-62.9177.6177.3177.10113.8E404E404-K408 HydrophobicContact CB-CD 4.31Å; E404-K408 WeakPolarHBondContact O-CB 3.35Å; E404-K408 WeakPolarHBondContact O-CG 3.42Å; E404-K408 PolarHBondContact O-N 3.35Å; E404-K408 IonicContact OE2-NZ 2.78Å; E404-K408 PolarHBondContact OE2-NZ 3.03Å
409V92.8Very high95.4Very high28 Ų2851.4 Ų51.417%0.1725%0.253CS..  trans-114.6109.2-173-171.90000110.2K366 Q367 Y370 A405K366-V409 HydrophobicContact CB-CG1 3.67Å; Q367-V409 HydrophobicContact CG-CB 4.11Å; Q367-V409 HydrophobicContact CG-CG1 4.28Å; Q367-V409 PolarHBondContact NE2-O 3.01Å; Y370-V409 HydrophobicContact CD1-CG2 4.29Å; Y370-V409 HydrophobicContact CD2-CG2 3.83Å; Y370-V409 HydrophobicContact CE2-CG2 4.48Å; Y370-V409 HydrophobicContact CG-CG2 3.71Å; A405-V409 VanDerWaalsContact O-CB 3.28Å; A405-V409 WeakPolarHBondContact O-CB 3.45Å; A405-V409 PolarHBondContact O-N 3.14Å
410Q75.3Confident95.1Very high206 Ų20655.7 Ų55.796%0.96327%0.273SS*.  trans-84.20177-66.7-172.6-2.900113K366K366-Q410 WeakPolarHBondContact CD-O 3.47Å; K366-Q410 PolarHBondContact NZ-O 3.35Å

Retrieved 410 of 410 residues in 352.3 ms (Link to these results)

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