G4V709_SCHMA Loading...

GTP-binding protein-like protein

AlphaFold DB , UniProt , Accession G4V709, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 199 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
1M51.2Low58.4Low208 Ų208109.5 Ų109.5100%1.02555%0.55SS**  0-28.20-84-165.3-91.200113.8
2S61.4Low59.3Low80 Ų80104.5 Ų104.556%0.55953%0.53SS*.Hα-helixtrans-66.3-37.8179.7101.70000114I4 W5 D6S2-I4 VanDerWaalsContact C-N 3.31Å; S2-I4 PolarHBondContact O-N 3.24Å; S2-I4 VanDerWaalsContact O-N 3.16Å; S2-W5 CarbonylContact O-C 3.57Å; S2-W5 PolarHBondContact O-N 3.42Å; S2-D6 WeakPolarHBondContact CB-OD2 3.5Å; S2-D6 WeakPolarHBondContact O-CB 3.33Å; S2-D6 VanDerWaalsContact O-CG 3.22Å; S2-D6 PolarHBondContact O-N 2.9Å; S2-D6 VanDerWaalsContact O-OD2 3.1Å; S2-D6 PolarHBondContact OG-OD2 3.24Å
3F61.6Low60.4Low162 Ų16298.5 Ų98.571%0.71150%0.504SS*.Hα-helixtrans-54.9-40.2-175.4-175.4-100.8000114.8W7F3-W7 WeakPolarHBondContact O-CB 3.36Å; F3-W7 PolarHBondContact O-N 2.85Å
4I53.7Low62.1Low109 Ų109102.3 Ų102.356%0.55952%0.515SS*.Hα-helixtrans-72.4-39.8178.6-65.9172000110.6S2 L8S2-I4 VanDerWaalsContact C-N 3.31Å; S2-I4 PolarHBondContact O-N 3.24Å; S2-I4 VanDerWaalsContact O-N 3.16Å; I4-L8 HydrophobicContact CG2-CD1 3.8Å; I4-L8 HydrophobicContact CG2-CG 4.41Å; I4-L8 VanDerWaalsContact O-CB 3.27Å; I4-L8 WeakPolarHBondContact O-CB 3.04Å; I4-L8 VanDerWaalsContact O-CG 3.28Å; I4-L8 WeakPolarHBondContact O-CG 3.36Å; I4-L8 PolarHBondContact O-N 3.3Å
5W50.7Low63.6Low186 Ų18697.6 Ų97.671%0.70549%0.493SS*.Hα-helixtrans-67.6-40176.4-78.7105.6000112.3S2 S9S2-W5 CarbonylContact O-C 3.57Å; S2-W5 PolarHBondContact O-N 3.42Å; W5-S9 VanDerWaalsContact O-CB 3.22Å; W5-S9 WeakPolarHBondContact O-CB 3.23Å; W5-S9 PolarHBondContact O-N 3.26Å; W5-S9 PolarHBondContact O-OG 3.37Å; W5-S9 VanDerWaalsContact O-OG 3.12Å
6D55.8Low65.1Low95 Ų9591.7 Ų91.751%0.50846%0.463SS..Hα-helixtrans-68.9-37.9176.6-64.1-33.5000111.3S2 S9 G10S2-D6 WeakPolarHBondContact CB-OD2 3.5Å; S2-D6 WeakPolarHBondContact O-CB 3.33Å; S2-D6 VanDerWaalsContact O-CG 3.22Å; S2-D6 PolarHBondContact O-N 2.9Å; S2-D6 VanDerWaalsContact O-OD2 3.1Å; S2-D6 PolarHBondContact OG-OD2 3.24Å; D6-S9 WeakPolarHBondContact CA-OG 3.09Å; D6-S9 PolarHBondContact O-OG 3.38Å; D6-G10 PolarHBondContact O-N 3.17Å
7W55.1Low66.5Low159 Ų15990 Ų9060%0.60246%0.462SS*.Hα-helixtrans-71.4-41.7175.7-179.779.5000112.6F3 S11F3-W7 WeakPolarHBondContact O-CB 3.36Å; F3-W7 PolarHBondContact O-N 2.85Å; W7-S11 WeakPolarHBondContact O-CB 2.93Å; W7-S11 PolarHBondContact O-N 3.29Å; W7-S11 PolarHBondContact O-OG 3.25Å
8L56Low67.9Low74 Ų7491.2 Ų91.239%0.38746%0.461SS..Hα-helixtrans-63.8-46.2173.9-79.8167.6000110.6I4 G10 S11 V12I4-L8 HydrophobicContact CG2-CD1 3.8Å; I4-L8 HydrophobicContact CG2-CG 4.41Å; I4-L8 VanDerWaalsContact O-CB 3.27Å; I4-L8 WeakPolarHBondContact O-CB 3.04Å; I4-L8 VanDerWaalsContact O-CG 3.28Å; I4-L8 WeakPolarHBondContact O-CG 3.36Å; I4-L8 PolarHBondContact O-N 3.3Å; L8-G10 PolarHBondContact O-N 3.08Å; L8-S11 PolarHBondContact O-N 3.1Å; L8-V12 VanDerWaalsContact O-CB 3.24Å; L8-V12 WeakPolarHBondContact O-CB 3.27Å; L8-V12 VanDerWaalsContact O-CG2 3.28Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.16Å
9S63.7Low69.2Low66 Ų6686.5 Ų86.546%0.46244%0.437SS..Hα-helixtrans-63.8-40.1178.270.90000112W5 D6 S13W5-S9 VanDerWaalsContact O-CB 3.22Å; W5-S9 WeakPolarHBondContact O-CB 3.23Å; W5-S9 PolarHBondContact O-N 3.26Å; W5-S9 PolarHBondContact O-OG 3.37Å; W5-S9 VanDerWaalsContact O-OG 3.12Å; D6-S9 WeakPolarHBondContact CA-OG 3.09Å; D6-S9 PolarHBondContact O-OG 3.38Å; S9-S13 WeakPolarHBondContact O-CB 3.38Å; S9-S13 PolarHBondContact O-N 3.31Å; S9-S13 PolarHBondContact O-OG 3.49Å
10G63.8Low70.4Confident25 Ų2583.3 Ų83.326%0.25843%0.427SS..Hα-helixtrans-69.2-29.2175.800000114.4D6 L8 S13 K14D6-G10 PolarHBondContact O-N 3.17Å; L8-G10 PolarHBondContact O-N 3.08Å; G10-S13 PolarHBondContact O-OG 3.16Å; G10-K14 WeakPolarHBondContact O-CD 3.28Å; G10-K14 VanDerWaalsContact O-CG 3.27Å; G10-K14 WeakPolarHBondContact O-CG 3.23Å; G10-K14 PolarHBondContact O-N 3.43Å
11S69.8Low71.4Confident40 Ų4079.3 Ų79.328%0.2841%0.406SS..Hα-helixtrans-79.6-40.6175.2-58.80000111.3W7 L8 K14 V15W7-S11 WeakPolarHBondContact O-CB 2.93Å; W7-S11 PolarHBondContact O-N 3.29Å; W7-S11 PolarHBondContact O-OG 3.25Å; L8-S11 PolarHBondContact O-N 3.1Å; S11-K14 WeakPolarHBondContact O-CB 3.33Å; S11-K14 PolarHBondContact O-N 2.77Å; S11-V15 PolarHBondContact O-N 2.87Å
12V68.8Low73.2Confident50 Ų5075.4 Ų75.430%0.30338%0.38SS..Hα-helixtrans-58.8-47172.8151.10000111.4L8 K14 V15 L16 I66L8-V12 VanDerWaalsContact O-CB 3.24Å; L8-V12 WeakPolarHBondContact O-CB 3.27Å; L8-V12 VanDerWaalsContact O-CG2 3.28Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.16Å; V12-K14 VanDerWaalsContact C-N 3.27Å; V12-K14 PolarHBondContact O-N 2.86Å; V12-V15 PolarHBondContact O-N 3.49Å; V12-L16 PolarHBondContact O-N 2.76Å; V12-I66 HydrophobicContact CB-CG2 3.96Å; V12-I66 HydrophobicContact CG1-CG2 3.16Å; V12-I66 HydrophobicContact CG2-CG2 3.94Å
13S74Confident74.5Confident27 Ų2779 Ų7919%0.18939%0.388CS..Hα-helixtrans-62.4-36.1179.766.40000112S9 G10 S17 W22S9-S13 WeakPolarHBondContact O-CB 3.38Å; S9-S13 PolarHBondContact O-N 3.31Å; S9-S13 PolarHBondContact O-OG 3.49Å; G10-S13 PolarHBondContact O-OG 3.16Å; S13-S17 WeakPolarHBondContact O-CB 3.24Å; S13-S17 PolarHBondContact O-N 2.81Å; S13-S17 PolarHBondContact O-OG 3.2Å; S13-W22 VanDerWaalsContact CA-CZ3 3.47Å
14K83.8Confident75.9Confident151 Ų15173.2 Ų73.266%0.65736%0.363SS*.Hα-helixtrans-65.5-42.9175.8-74.1171.5-174.5179.30112.7G10 S11 V12 S17 Y18G10-K14 WeakPolarHBondContact O-CD 3.28Å; G10-K14 VanDerWaalsContact O-CG 3.27Å; G10-K14 WeakPolarHBondContact O-CG 3.23Å; G10-K14 PolarHBondContact O-N 3.43Å; S11-K14 WeakPolarHBondContact O-CB 3.33Å; S11-K14 PolarHBondContact O-N 2.77Å; V12-K14 VanDerWaalsContact C-N 3.27Å; V12-K14 PolarHBondContact O-N 2.86Å; K14-S17 PolarHBondContact O-N 3.12Å; K14-Y18 VanDerWaalsContact O-CB 3.29Å; K14-Y18 WeakPolarHBondContact O-CB 3.47Å; K14-Y18 PolarHBondContact O-N 2.99Å
15V85.3Confident77.7Confident32 Ų3273 Ų7319%0.19436%0.363CS..Hα-helixtrans-63.8-50.8176.9173.30000110.1S11 V12 S17 Y18 L19 L45S11-V15 PolarHBondContact O-N 2.87Å; V12-V15 PolarHBondContact O-N 3.49Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.41Å; V15-Y18 PolarHBondContact O-N 3.15Å; V15-L19 HydrophobicContact CG1-CD1 3.82Å; V15-L19 VanDerWaalsContact O-CG 3.24Å; V15-L19 WeakPolarHBondContact O-CG 3.3Å; V15-L19 PolarHBondContact O-N 3.45Å; V15-L19 VanDerWaalsContact O-N 3.1Å; V15-L45 HydrophobicContact CG1-CD2 4.05Å
16L86.9Confident79.6Confident3 Ų364.7 Ų64.72%0.01634%0.335CS..Hα-helixtrans-60.9-41.7178.1-69.5-177.8000112V12 L19 G20 L21 W22 I66 M69 F71V12-L16 PolarHBondContact O-N 2.76Å; L16-L19 CarbonylContact O-C 3.56Å; L16-L19 PolarHBondContact O-N 3Å; L16-G20 PolarHBondContact O-N 2.9Å; L16-G20 VanDerWaalsContact O-N 3.11Å; L16-L21 HydrophobicContact CB-CB 4.48Å; L16-L21 HydrophobicContact CD2-CB 3.9Å; L16-L21 PolarHBondContact O-N 2.68Å; L16-W22 HydrophobicContact CB-CB 4.5Å; L16-W22 HydrophobicContact CB-CE3 4.26Å; L16-W22 HydrophobicContact CD1-CE3 4.39Å; L16-W22 PolarHBondContact O-N 3.09Å; L16-I66 HydrophobicContact CD1-CB 4.45Å; L16-I66 HydrophobicContact CD1-CG2 3.78Å; L16-I66 HydrophobicContact CD2-CB 4.19Å; L16-I66 HydrophobicContact CD2-CG2 4.02Å; L16-I66 HydrophobicContact CG-CB 4.44Å; L16-I66 HydrophobicContact CG-CG2 3.74Å; L16-M69 HydrophobicContact CD2-CB 4.4Å; L16-M69 HydrophobicContact CD2-CG 4.21Å; L16-F71 HydrophobicContact CD2-CZ 4.29Å
17S89.1Confident81.4Confident63 Ų6362 Ų6244%0.44132%0.319SS..Hα-helixtrans-62.9-42.9176.5-590000111.9S13 K14 V15 L19 G20S13-S17 WeakPolarHBondContact O-CB 3.24Å; S13-S17 PolarHBondContact O-N 2.81Å; S13-S17 PolarHBondContact O-OG 3.2Å; K14-S17 PolarHBondContact O-N 3.12Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.41Å; S17-L19 PolarHBondContact O-N 3.1Å; S17-G20 PolarHBondContact O-N 2.97Å; S17-G20 VanDerWaalsContact O-N 3.14Å
18Y90.9Very high83.2Confident112 Ų11254.4 Ų54.444%0.43929%0.29SS..Hα-helixtrans-60-32.8176.1171.2-108.2000112.5K14 V15 Y187 N192K14-Y18 VanDerWaalsContact O-CB 3.29Å; K14-Y18 WeakPolarHBondContact O-CB 3.47Å; K14-Y18 PolarHBondContact O-N 2.99Å; V15-Y18 PolarHBondContact O-N 3.15Å; Y18-Y187 AromaticContact CE1-CE2 3.98Å; Y18-Y187 HydrophobicContact CE1-CE2 3.98Å; Y18-N192 PolarHBondContact O-ND2 2.98Å
19L92.7Very high85Confident1 Ų151 Ų511%0.00527%0.272CS..THydrogen-bonded Turntrans-90.1-1.4-179.5-60172000113.5V15 L16 S17 L21 L45 Y187 F191 N192V15-L19 HydrophobicContact CG1-CD1 3.82Å; V15-L19 VanDerWaalsContact O-CG 3.24Å; V15-L19 WeakPolarHBondContact O-CG 3.3Å; V15-L19 PolarHBondContact O-N 3.45Å; V15-L19 VanDerWaalsContact O-N 3.1Å; L16-L19 CarbonylContact O-C 3.56Å; L16-L19 PolarHBondContact O-N 3Å; S17-L19 PolarHBondContact O-N 3.1Å; L19-L21 HydrophobicContact CB-CB 4.41Å; L19-L21 HydrophobicContact CB-CD1 4.02Å; L19-L21 HydrophobicContact CB-CG 3.99Å; L19-L21 HydrophobicContact CD1-CD1 4.37Å; L19-L21 PolarHBondContact O-N 3.09Å; L19-L45 HydrophobicContact CD1-CD2 3.34Å; L19-Y187 HydrophobicContact CD2-CD2 4.11Å; L19-Y187 HydrophobicContact CD2-CE2 4.16Å; L19-F191 HydrophobicContact CB-CB 3.87Å; L19-F191 HydrophobicContact CB-CG 4.4Å; L19-F191 HydrophobicContact CD2-CB 3.69Å; L19-F191 HydrophobicContact CD2-CD2 3.78Å; L19-F191 HydrophobicContact CD2-CG 3.82Å; L19-F191 HydrophobicContact CG-CB 4.31Å; L19-F191 CarbonylContact O-C 3.51Å; L19-F191 VanDerWaalsContact O-C 3.25Å; L19-N192 PolarHBondContact O-N 2.85Å
20G93.7Very high86.3Confident23 Ų2347.8 Ų47.824%0.23725%0.25CC..THydrogen-bonded Turntrans71.212.5-173.200000114.2L16 S17 N192 A195L16-G20 PolarHBondContact O-N 2.9Å; L16-G20 VanDerWaalsContact O-N 3.11Å; S17-G20 PolarHBondContact O-N 2.97Å; S17-G20 VanDerWaalsContact O-N 3.14Å; G20-N192 WeakPolarHBondContact CA-OD1 3.41Å; G20-N192 PolarHBondContact N-OD1 2.83Å; G20-A195 VanDerWaalsContact O-CB 3.31Å; G20-A195 WeakPolarHBondContact O-CB 3.44Å
21L92.4Very high87.7Confident0 Ų046.6 Ų46.60%024%0.237CC..  trans-99.99.3-175.8-61.7178.2000113.5L16 L19 Q23 K24 L28 M69 F71 F191 A195 L198L16-L21 HydrophobicContact CB-CB 4.48Å; L16-L21 HydrophobicContact CD2-CB 3.9Å; L16-L21 PolarHBondContact O-N 2.68Å; L19-L21 HydrophobicContact CB-CB 4.41Å; L19-L21 HydrophobicContact CB-CD1 4.02Å; L19-L21 HydrophobicContact CB-CG 3.99Å; L19-L21 HydrophobicContact CD1-CD1 4.37Å; L19-L21 PolarHBondContact O-N 3.09Å; L21-Q23 PolarHBondContact O-N 2.76Å; L21-K24 HydrophobicContact CD2-CD 4.15Å; L21-K24 PolarHBondContact O-N 3.48Å; L21-L28 HydrophobicContact CD1-CD1 4.32Å; L21-M69 HydrophobicContact CB-CG 4.11Å; L21-M69 HydrophobicContact CD1-CE 4.35Å; L21-M69 HydrophobicContact CD1-CG 4.47Å; L21-M69 HydrophobicContact CD2-CE 4.12Å; L21-M69 HydrophobicContact CD2-SD 4.42Å; L21-F71 HydrophobicContact CD1-CE1 3.82Å; L21-F71 HydrophobicContact CD1-CZ 3.76Å; L21-F191 HydrophobicContact CD1-CD1 4.12Å; L21-A195 HydrophobicContact CD2-CB 3.8Å; L21-L198 HydrophobicContact CD2-CD1 3.63Å
22W89.2Confident88.8Confident126 Ų12644.7 Ų44.748%0.47722%0.224SC..THydrogen-bonded Turntrans-64.2133.1175.5-179.4-109.3000110.6S13 L16 K24S13-W22 VanDerWaalsContact CA-CZ3 3.47Å; L16-W22 HydrophobicContact CB-CB 4.5Å; L16-W22 HydrophobicContact CB-CE3 4.26Å; L16-W22 HydrophobicContact CD1-CE3 4.39Å; L16-W22 PolarHBondContact O-N 3.09Å; W22-K24 PolarHBondContact O-N 3.2Å; W22-K24 VanDerWaalsContact O-N 3.14Å
23Q87.5Confident89.8Confident156 Ų15642.7 Ų42.773%0.72921%0.211SC*.THydrogen-bonded Turntrans6110-176.3-67.8175.4-1300116.1L21L21-Q23 PolarHBondContact O-N 2.76Å
24K91.8Very high90.5Very high40 Ų4043.6 Ų43.617%0.17421%0.214CC..  trans-84.5154.6172.6-64.2-161.1162.9-78.40112L21 W22 G68 M69 A195 L198 D199L21-K24 HydrophobicContact CD2-CD 4.15Å; L21-K24 PolarHBondContact O-N 3.48Å; W22-K24 PolarHBondContact O-N 3.2Å; W22-K24 VanDerWaalsContact O-N 3.14Å; K24-G68 CarbonylContact O-C 3.57Å; K24-G68 WeakPolarHBondContact O-CA 3.18Å; K24-M69 HydrophobicContact CB-SD 3.76Å; K24-A195 HydrophobicContact CD-CB 4.21Å; K24-A195 WeakPolarHBondContact CE-O 3.43Å; K24-A195 PolarHBondContact NZ-O 2.78Å; K24-L198 HydrophobicContact CD-CB 4.16Å; K24-L198 PolarHBondContact NZ-O 2.88Å; K24-D199 CarbonylContact C-O 3.58Å; K24-D199 WeakPolarHBondContact CA-O 3.27Å; K24-D199 VanDerWaalsContact CB-O 3.29Å; K24-D199 WeakPolarHBondContact CB-O 3.2Å; K24-D199 PolarHBondContact NZ-OXT 2.97Å
25N90.5Very high90.8Very high105 Ų10540.9 Ų40.956%0.56121%0.207SC*.EExtended strand (participates in β ladder)trans-122134.5171.7-59.4-78.5000109.5G68 D199N25-G68 WeakPolarHBondContact CA-O 3.3Å; N25-G68 VanDerWaalsContact OD1-CA 3.3Å; N25-G68 WeakPolarHBondContact OD1-CA 2.96Å; N25-D199 PolarHBondContact N-O 3.38Å
26G91.7Very high91.2Very high11 Ų1139.4 Ų39.411%0.11320%0.198CC..EExtended strand (participates in β ladder)trans163.9166.117300000114.6G68 M69 R70 D94G26-G68 PolarHBondContact N-O 3.38Å; G26-G68 VanDerWaalsContact N-O 3.12Å; G26-M69 CarbonylContact O-C 3.58Å; G26-M69 WeakPolarHBondContact O-CA 3.41Å; G26-R70 PolarHBondContact O-N 3.33Å; G26-D94 WeakPolarHBondContact CA-OD2 3.3Å
27K92.4Very high91.4Very high38 Ų3839.7 Ų39.717%0.16520%0.202CC..EExtended strand (participates in β ladder)trans-106.7114.3178.7-177.5-175.6166.4-155.20109.6R70 Y89 P91 V93 D94 G95K27-R70 CarbonylContact C-O 3.51Å; K27-R70 WeakPolarHBondContact CA-O 3.47Å; K27-Y89 PolarHBondContact NZ-O 3.33Å; K27-P91 PolarHBondContact NZ-O 3.41Å; K27-V93 HydrophobicContact CD-CG1 4.06Å; K27-V93 HydrophobicContact CG-CG1 4.24Å; K27-D94 PolarHBondContact N-OD2 2.79Å; K27-D94 PolarHBondContact O-N 3.27Å; K27-G95 PolarHBondContact O-N 3.26Å
28L94Very high91.5Very high0 Ų036.9 Ų36.90%018%0.182CC..EExtended strand (participates in β ladder)trans-102.1137.2171-64.4-176000110.7L21 F30 M69 R70 F71 T72 G95 F191 L194 L198L21-L28 HydrophobicContact CD1-CD1 4.32Å; L28-F30 HydrophobicContact CB-CE1 4.32Å; L28-M69 HydrophobicContact CD1-CE 3.9Å; L28-M69 HydrophobicContact CG-CE 3.83Å; L28-R70 PolarHBondContact N-O 3.33Å; L28-F71 HydrophobicContact CB-CD1 4.07Å; L28-F71 HydrophobicContact CD1-CD1 4.14Å; L28-F71 HydrophobicContact CD1-CE1 3.85Å; L28-F71 CarbonylContact O-C 3.59Å; L28-F71 WeakPolarHBondContact O-CA 3.47Å; L28-T72 PolarHBondContact O-N 2.89Å; L28-G95 WeakPolarHBondContact CA-O 3.31Å; L28-G95 VanDerWaalsContact CD2-CA 3.49Å; L28-F191 HydrophobicContact CD1-CD1 4.41Å; L28-F191 HydrophobicContact CD1-CE1 3.98Å; L28-L194 HydrophobicContact CD1-CD2 3.91Å; L28-L194 HydrophobicContact CD2-CD2 3.98Å; L28-L198 HydrophobicContact CD1-CD1 4.16Å; L28-L198 HydrophobicContact CD2-CD1 3.92Å; L28-L198 HydrophobicContact CD2-CD2 4.03Å; L28-L198 HydrophobicContact CG-CD1 4.35Å
29V92.5Very high91.3Very high1 Ų132.2 Ų32.21%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-113.1133.9173.568.70000111.3L31 T72 F74 V93 G95 L96 V97V29-L31 HydrophobicContact CG1-CD1 4.33Å; V29-L31 HydrophobicContact CG1-CG 4.25Å; V29-L31 HydrophobicContact CG2-CD2 3.78Å; V29-L31 HydrophobicContact CG2-CG 3.92Å; V29-T72 CarbonylContact C-O 3.58Å; V29-T72 VanDerWaalsContact CA-O 3.32Å; V29-T72 WeakPolarHBondContact CA-O 3.49Å; V29-F74 HydrophobicContact CG2-CD2 3.98Å; V29-F74 HydrophobicContact CG2-CE2 3.64Å; V29-V93 HydrophobicContact CB-CG1 4.11Å; V29-V93 HydrophobicContact CG1-CB 4.42Å; V29-V93 HydrophobicContact CG1-CG1 3.99Å; V29-V93 HydrophobicContact CG1-CG2 4.35Å; V29-G95 PolarHBondContact N-O 3.15Å; V29-L96 HydrophobicContact CG1-CB 4.13Å; V29-L96 HydrophobicContact CG1-CD1 4.2Å; V29-L96 HydrophobicContact CG1-CG 3.95Å; V29-V97 PolarHBondContact O-N 3.42Å
30F92.8Very high91.2Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-100.8111.8175.6-58.9-8.8000108.9L28 K38 L41 L42 L45 F71 T72 V97 F191L28-F30 HydrophobicContact CB-CE1 4.32Å; F30-K38 HydrophobicContact CB-CB 4.23Å; F30-L41 HydrophobicContact CD2-CD2 4.03Å; F30-L41 HydrophobicContact CD2-CG 4.2Å; F30-L41 HydrophobicContact CE2-CB 4.39Å; F30-L41 HydrophobicContact CE2-CD2 3.78Å; F30-L41 HydrophobicContact CE2-CG 3.7Å; F30-L41 HydrophobicContact CZ-CD2 4.06Å; F30-L41 HydrophobicContact CZ-CG 4.25Å; F30-L42 HydrophobicContact CD2-CB 4.46Å; F30-L42 HydrophobicContact CD2-CD1 4.38Å; F30-L42 HydrophobicContact CE2-CB 4.41Å; F30-L42 HydrophobicContact CE2-CD1 4.04Å; F30-L45 HydrophobicContact CE2-CD1 3.89Å; F30-L45 HydrophobicContact CZ-CD1 3.63Å; F30-F71 HydrophobicContact CE1-CD1 4.02Å; F30-F71 HydrophobicContact CZ-CB 4.21Å; F30-F71 AromaticContact CZ-CD1 3.64Å; F30-F71 HydrophobicContact CZ-CD1 3.64Å; F30-F71 HydrophobicContact CZ-CE1 4.48Å; F30-F71 HydrophobicContact CZ-CG 4.31Å; F30-T72 PolarHBondContact N-O 3.5Å; F30-V97 CarbonylContact C-O 3.47Å; F30-V97 WeakPolarHBondContact CA-O 3.44Å; F30-V97 HydrophobicContact CD1-CB 3.62Å; F30-V97 HydrophobicContact CD1-CG1 4.4Å; F30-V97 HydrophobicContact CD1-CG2 3.76Å; F30-V97 HydrophobicContact CE1-CB 4.05Å; F30-V97 HydrophobicContact CE1-CG2 3.69Å; F30-V97 HydrophobicContact CG-CB 4.48Å; F30-F191 HydrophobicContact CE1-CE1 4.23Å; F30-F191 AromaticContact CE1-CZ 3.92Å; F30-F191 HydrophobicContact CE1-CZ 3.92Å; F30-F191 HydrophobicContact CZ-CE1 4.34Å; F30-F191 AromaticContact CZ-CZ 3.83Å; F30-F191 HydrophobicContact CZ-CZ 3.83Å
31L92Very high91.1Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-121.4172179.9-60.2-174.8000110.9V29 K38 F74 W86 I90 L96 V97 F98 M99 L118V29-L31 HydrophobicContact CG1-CD1 4.33Å; V29-L31 HydrophobicContact CG1-CG 4.25Å; V29-L31 HydrophobicContact CG2-CD2 3.78Å; V29-L31 HydrophobicContact CG2-CG 3.92Å; L31-K38 WeakPolarHBondContact O-CD 3.28Å; L31-F74 HydrophobicContact CD2-CB 4.42Å; L31-F74 HydrophobicContact CD2-CD2 3.57Å; L31-F74 HydrophobicContact CD2-CE2 4.38Å; L31-F74 HydrophobicContact CD2-CG 4.33Å; L31-W86 HydrophobicContact CB-CE3 4.42Å; L31-W86 HydrophobicContact CB-CH2 4.31Å; L31-W86 HydrophobicContact CB-CZ2 4.41Å; L31-W86 HydrophobicContact CB-CZ3 4.31Å; L31-W86 HydrophobicContact CD1-CB 4.32Å; L31-W86 HydrophobicContact CD1-CD2 4.02Å; L31-W86 HydrophobicContact CD1-CE3 3.92Å; L31-W86 HydrophobicContact CD1-CG 4.23Å; L31-W86 HydrophobicContact CD2-CD2 3.87Å; L31-W86 HydrophobicContact CD2-CE3 4.49Å; L31-W86 HydrophobicContact CD2-CG 3.86Å; L31-W86 HydrophobicContact CG-CD2 4.38Å; L31-I90 HydrophobicContact CD1-CD1 4.41Å; L31-I90 HydrophobicContact CD1-CG1 4.39Å; L31-L96 HydrophobicContact CD1-CD1 3.86Å; L31-L96 HydrophobicContact CD1-CG 4.43Å; L31-V97 PolarHBondContact N-O 3.27Å; L31-F98 HydrophobicContact CB-CD2 4.28Å; L31-F98 CarbonylContact O-C 3.37Å; L31-F98 WeakPolarHBondContact O-CA 3.35Å; L31-M99 PolarHBondContact O-N 3.14Å; L31-L118 HydrophobicContact CB-CD1 4.37Å; L31-L118 HydrophobicContact CD1-CD1 4.04Å; L31-L118 HydrophobicContact CD1-CD2 3.72Å
32G92.5Very high90.9Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans129.1170.8-172.900000111.7K38 W86 M99G32-K38 WeakPolarHBondContact O-CE 3.04Å; G32-K38 PolarHBondContact O-NZ 3.04Å; G32-W86 WeakPolarHBondContact O-CZ2 3.31Å; G32-M99 WeakPolarHBondContact CA-O 3.4Å
33L90.8Very high90.7Very high7 Ų729.4 Ų29.44%0.03716%0.155CC..SBendtrans-61.1162.1-178.5-54-172.3000111.8A36 K38 R83 R107 E110 E114L33-A36 WeakPolarHBondContact O-CB 3.5Å; L33-A36 PolarHBondContact O-N 3.15Å; L33-K38 PolarHBondContact O-NZ 3.16Å; L33-R83 VanDerWaalsContact CD2-CZ 3.49Å; L33-R107 HydrophobicContact CD1-CB 3.85Å; L33-E110 HydrophobicContact CD1-CB 4.04Å; L33-E110 HydrophobicContact CD1-CG 3.97Å; L33-E110 HydrophobicContact CD2-CG 3.97Å; L33-E114 HydrophobicContact CD2-CG 3.85Å
34D88Confident90.6Very high47 Ų4722.6 Ų22.625%0.25112%0.123SC..THydrogen-bonded Turntrans-55.1153165.560.2-63.2000110.5A36 G77 G78 R107D34-A36 PolarHBondContact O-N 2.81Å; D34-G77 PolarHBondContact N-O 3.26Å; D34-G78 WeakPolarHBondContact OD1-CA 3.43Å; D34-R107 PolarHBondContact O-NH2 3.18Å; D34-R107 IonicContact OD1-CZ 3.43Å; D34-R107 IonicContact OD1-NH1 2.81Å; D34-R107 PolarHBondContact OD1-NH1 3.17Å; D34-R107 IonicContact OD2-CZ 3.85Å; D34-R107 IonicContact OD2-NH1 3.69Å; D34-R107 PolarHBondContact OD2-NH1 2.81Å; D34-R107 IonicContact OD2-NH2 2.75Å
35N90Very high90.2Very high94 Ų9421 Ų2150%0.50312%0.116SC..THydrogen-bonded Turntrans62.11.1-177.2-178.347.7000114.1G37 D101 K135N35-G37 PolarHBondContact O-N 2.68Å; N35-D101 PolarHBondContact ND2-OD2 2.97Å; N35-K135 VanDerWaalsContact CG-NZ 3.28Å; N35-K135 PolarHBondContact ND2-NZ 3.04Å; N35-K135 WeakPolarHBondContact O-CE 3.3Å; N35-K135 PolarHBondContact O-NZ 2.83Å; N35-K135 PolarHBondContact OD1-NZ 2.82Å
36A93.1Very high89.6Confident1 Ų121.9 Ų21.91%0.00812%0.115CC..SBendtrans-63.5-22174.700000114.1L33 D34 M99 N134L33-A36 WeakPolarHBondContact O-CB 3.5Å; L33-A36 PolarHBondContact O-N 3.15Å; D34-A36 PolarHBondContact O-N 2.81Å; A36-M99 HydrophobicContact CB-CB 3.87Å; A36-M99 VanDerWaalsContact CB-O 3.31Å; A36-M99 WeakPolarHBondContact CB-O 3.42Å; A36-N134 PolarHBondContact O-ND2 3.23Å
37G92.8Very high88.5Confident9 Ų925.4 Ų25.49%0.09313%0.131CC..SBendtrans107.117.6176.500000115.5N35 T40 L41N35-G37 PolarHBondContact O-N 2.68Å; G37-T40 WeakPolarHBondContact O-CB 3.37Å; G37-T40 PolarHBondContact O-N 3.33Å; G37-L41 PolarHBondContact O-N 3.1Å
38K91.3Very high86.9Confident4 Ų427.9 Ų27.92%0.01715%0.146CC..Hα-helixtrans-59.3-50.5-177.6-50.2-177.3-59.5-81.20113.2F30 L31 G32 L33 L41 L42 T73 F74 M99F30-K38 HydrophobicContact CB-CB 4.23Å; L31-K38 WeakPolarHBondContact O-CD 3.28Å; G32-K38 WeakPolarHBondContact O-CE 3.04Å; G32-K38 PolarHBondContact O-NZ 3.04Å; L33-K38 PolarHBondContact O-NZ 3.16Å; K38-L41 WeakPolarHBondContact O-CB 3.46Å; K38-L41 PolarHBondContact O-N 3.44Å; K38-L42 PolarHBondContact O-N 3.38Å; K38-T73 WeakPolarHBondContact CB-OG1 3.31Å; K38-F74 WeakPolarHBondContact CE-O 3.29Å; K38-F74 PolarHBondContact NZ-O 2.96Å; K38-M99 WeakPolarHBondContact CA-SD 3.36Å; K38-M99 HydrophobicContact CB-SD 4.16Å; K38-M99 HydrophobicContact CG-CB 4.11Å; K38-M99 HydrophobicContact CG-CG 4.24Å; K38-M99 HydrophobicContact CG-SD 3.91Å
39T85.2Confident84.4Confident13 Ų1338.3 Ų38.38%0.0819%0.185CC..Hα-helixtrans-68.8-35.3177.3-64.90000112.1L41 L42 H43 D75T39-L41 VanDerWaalsContact C-N 3.3Å; T39-L41 PolarHBondContact O-N 2.79Å; T39-L42 PolarHBondContact O-N 3.35Å; T39-H43 WeakPolarHBondContact CG2-CD2 3.3Å; T39-H43 VanDerWaalsContact CG2-NE2 3.28Å; T39-H43 WeakPolarHBondContact CG2-NE2 3.32Å; T39-H43 PolarHBondContact O-CD2 3.42Å; T39-H43 PolarHBondContact O-N 3.41Å; T39-D75 WeakPolarHBondContact CB-OD2 3.19Å; T39-D75 WeakPolarHBondContact CG2-OD2 3.35Å; T39-D75 PolarHBondContact OG1-OD1 3.43Å; T39-D75 PolarHBondContact OG1-OD2 2.71Å
40T90.5Very high81.9Confident61 Ų6141.7 Ų41.737%0.37420%0.202SC..Hα-helixtrans-59-43.5170.4-47.40000111.3G37 R44 M50 I181G37-T40 WeakPolarHBondContact O-CB 3.37Å; G37-T40 PolarHBondContact O-N 3.33Å; T40-R44 WeakPolarHBondContact O-CB 3.33Å; T40-R44 PolarHBondContact O-N 3.27Å; T40-M50 HydrophobicContact CG2-SD 4.21Å; T40-I181 HydrophobicContact CG2-CG2 3.91Å
41L91.8Very high79.3Confident0 Ų044.6 Ų44.60%023%0.226CC..Hα-helixtrans-64.2-47.2174.7176.259000111.2F30 G37 K38 T39 H43 R44 L45 M99 L132 I181 Y187 F191F30-L41 HydrophobicContact CD2-CD2 4.03Å; F30-L41 HydrophobicContact CD2-CG 4.2Å; F30-L41 HydrophobicContact CE2-CB 4.39Å; F30-L41 HydrophobicContact CE2-CD2 3.78Å; F30-L41 HydrophobicContact CE2-CG 3.7Å; F30-L41 HydrophobicContact CZ-CD2 4.06Å; F30-L41 HydrophobicContact CZ-CG 4.25Å; G37-L41 PolarHBondContact O-N 3.1Å; K38-L41 WeakPolarHBondContact O-CB 3.46Å; K38-L41 PolarHBondContact O-N 3.44Å; T39-L41 VanDerWaalsContact C-N 3.3Å; T39-L41 PolarHBondContact O-N 2.79Å; L41-H43 PolarHBondContact O-N 3.22Å; L41-R44 WeakPolarHBondContact O-CA 3.43Å; L41-R44 VanDerWaalsContact O-CB 3.25Å; L41-R44 WeakPolarHBondContact O-CB 3.43Å; L41-R44 PolarHBondContact O-N 3.44Å; L41-R44 VanDerWaalsContact O-N 3.08Å; L41-L45 HydrophobicContact CD1-CD2 4.5Å; L41-L45 HydrophobicContact CD1-CG 4.34Å; L41-L45 WeakPolarHBondContact O-CG 3.4Å; L41-L45 PolarHBondContact O-N 3.16Å; L41-M99 HydrophobicContact CB-CE 4.29Å; L41-M99 HydrophobicContact CB-SD 4.06Å; L41-M99 HydrophobicContact CD2-CE 4.34Å; L41-M99 HydrophobicContact CD2-SD 3.75Å; L41-L132 HydrophobicContact CD2-CD1 4.01Å; L41-I181 HydrophobicContact CB-CG1 4.28Å; L41-I181 HydrophobicContact CB-CG2 4.3Å; L41-I181 HydrophobicContact CD1-CD1 3.86Å; L41-I181 HydrophobicContact CD1-CG1 4.48Å; L41-Y187 HydrophobicContact CD1-CD2 4.14Å; L41-Y187 HydrophobicContact CD1-CE2 4.42Å; L41-F191 HydrophobicContact CD1-CE2 4.12Å; L41-F191 HydrophobicContact CD2-CE2 4.01Å; L41-F191 HydrophobicContact CD2-CZ 4.06Å
42L88.9Confident76.7Confident4 Ų454 Ų542%0.02127%0.27CS..Hα-helixtrans-57.5-47.8178.8-167.774.8000111.7F30 K38 T39 R44 L45 K46 E62 L64 F71 T73F30-L42 HydrophobicContact CD2-CB 4.46Å; F30-L42 HydrophobicContact CD2-CD1 4.38Å; F30-L42 HydrophobicContact CE2-CB 4.41Å; F30-L42 HydrophobicContact CE2-CD1 4.04Å; K38-L42 PolarHBondContact O-N 3.38Å; T39-L42 PolarHBondContact O-N 3.35Å; L42-R44 VanDerWaalsContact C-N 3.29Å; L42-R44 PolarHBondContact O-N 3Å; L42-L45 WeakPolarHBondContact O-CB 3.26Å; L42-L45 PolarHBondContact O-N 3.46Å; L42-L45 VanDerWaalsContact O-N 3.15Å; L42-K46 PolarHBondContact O-N 3.1Å; L42-E62 HydrophobicContact CD2-CB 3.5Å; L42-E62 VanDerWaalsContact CD2-CB 3.5Å; L42-L64 HydrophobicContact CD1-CB 3.68Å; L42-L64 HydrophobicContact CD1-CD2 4.12Å; L42-L64 HydrophobicContact CD2-CB 4.46Å; L42-L64 HydrophobicContact CG-CB 4.1Å; L42-L64 HydrophobicContact CG-CD2 4.35Å; L42-L64 WeakPolarHBondContact O-CD2 3.35Å; L42-F71 HydrophobicContact CD1-CB 3.61Å; L42-T73 HydrophobicContact CB-CG2 4.27Å; L42-T73 HydrophobicContact CD2-CG2 3.55Å; L42-T73 HydrophobicContact CG-CG2 4.42Å
43H85.4Confident74.5Confident27 Ų2759.9 Ų59.913%0.12530%0.297CS..Hα-helixtrans-64.3-35.5175.9-71.1-59.2000112.7T39 L41 L45 K46 D47 H53 E62T39-H43 WeakPolarHBondContact CG2-CD2 3.3Å; T39-H43 VanDerWaalsContact CG2-NE2 3.28Å; T39-H43 WeakPolarHBondContact CG2-NE2 3.32Å; T39-H43 PolarHBondContact O-CD2 3.42Å; T39-H43 PolarHBondContact O-N 3.41Å; L41-H43 PolarHBondContact O-N 3.22Å; H43-L45 PolarHBondContact O-N 3.12Å; H43-K46 WeakPolarHBondContact O-CB 3.32Å; H43-K46 PolarHBondContact O-N 2.98Å; H43-K46 VanDerWaalsContact O-N 3.09Å; H43-D47 PolarHBondContact O-N 2.97Å; H43-H53 AromaticContact CD2-CD2 3.8Å; H43-H53 AromaticContact NE2-CD2 3.7Å; H43-H53 AromaticContact NE2-NE2 3.88Å; H43-E62 IonicContact CE1-OE2 3.49Å; H43-E62 PolarHBondContact CE1-OE2 3.47Å; H43-E62 IonicContact NE2-OE2 3.62Å
44R85.8Confident71.8Confident13 Ų1365.4 Ų65.45%0.04933%0.331CS..Hα-helixtrans-61.2-33.3175.4-170.174.4-166.4109.428.1112.2T40 L41 L42 D48 I181 R184 Y187T40-R44 WeakPolarHBondContact O-CB 3.33Å; T40-R44 PolarHBondContact O-N 3.27Å; L41-R44 WeakPolarHBondContact O-CA 3.43Å; L41-R44 VanDerWaalsContact O-CB 3.25Å; L41-R44 WeakPolarHBondContact O-CB 3.43Å; L41-R44 PolarHBondContact O-N 3.44Å; L41-R44 VanDerWaalsContact O-N 3.08Å; L42-R44 VanDerWaalsContact C-N 3.29Å; L42-R44 PolarHBondContact O-N 3Å; R44-D48 IonicContact CZ-OD1 3.2Å; R44-D48 PolarHBondContact NH1-O 3.46Å; R44-D48 IonicContact NH1-OD1 3.27Å; R44-D48 PolarHBondContact NH1-OD1 3.47Å; R44-D48 IonicContact NH2-OD1 2.65Å; R44-D48 PolarHBondContact NH2-OD1 3.26Å; R44-I181 HydrophobicContact CB-CG2 4.13Å; R44-I181 HydrophobicContact CG-CG2 4.21Å; R44-R184 VanDerWaalsContact NH2-NH1 3.11Å; R44-Y187 WeakPolarHBondContact CG-OH 3.36Å; R44-Y187 PolarHBondContact NE-OH 2.96Å
45L83.4Confident69.4Low5 Ų568.8 Ų68.83%0.02636%0.356CS..Hα-helixtrans-75.5-35.6173.2-61.6-177.1000112V15 L19 F30 L41 L42 H43 L64 I66 F71V15-L45 HydrophobicContact CG1-CD2 4.05Å; L19-L45 HydrophobicContact CD1-CD2 3.34Å; F30-L45 HydrophobicContact CE2-CD1 3.89Å; F30-L45 HydrophobicContact CZ-CD1 3.63Å; L41-L45 HydrophobicContact CD1-CD2 4.5Å; L41-L45 HydrophobicContact CD1-CG 4.34Å; L41-L45 WeakPolarHBondContact O-CG 3.4Å; L41-L45 PolarHBondContact O-N 3.16Å; L42-L45 WeakPolarHBondContact O-CB 3.26Å; L42-L45 PolarHBondContact O-N 3.46Å; L42-L45 VanDerWaalsContact O-N 3.15Å; H43-L45 PolarHBondContact O-N 3.12Å; L45-L64 HydrophobicContact CB-CD2 3.66Å; L45-I66 HydrophobicContact CB-CD1 4.4Å; L45-I66 WeakPolarHBondContact O-CD1 3.42Å; L45-F71 HydrophobicContact CD1-CD1 3.84Å; L45-F71 HydrophobicContact CD1-CE1 3.91Å; L45-F71 HydrophobicContact CD1-CG 4.17Å; L45-F71 HydrophobicContact CD1-CZ 4.35Å
46K77.7Confident67.1Low124 Ų12467.1 Ų67.154%0.53935%0.349SS..Hα-helixtrans-69.1-45.4-178.7-174.8175177.4176.60112.5L42 H43 L64L42-K46 PolarHBondContact O-N 3.1Å; H43-K46 WeakPolarHBondContact O-CB 3.32Å; H43-K46 PolarHBondContact O-N 2.98Å; H43-K46 VanDerWaalsContact O-N 3.09Å; K46-L64 HydrophobicContact CB-CD1 3.86Å; K46-L64 HydrophobicContact CB-CD2 3.81Å; K46-L64 HydrophobicContact CB-CG 4.47Å; K46-L64 HydrophobicContact CD-CD1 4.29Å; K46-L64 HydrophobicContact CG-CD1 3.8Å
47D68.2Low64.5Low85 Ų8574.5 Ų74.546%0.45539%0.387SS..  trans-140.9134.3-174.8-79.2-54.6000109.6H43 R49H43-D47 PolarHBondContact O-N 2.97Å; D47-R49 PolarHBondContact O-N 2.87Å
48D57.9Low62.1Low90 Ų9080.5 Ų80.548%0.48141%0.413SS..SBendtrans-68.418.3172.8-15929.9000113.2R44 R184R44-D48 IonicContact CZ-OD1 3.2Å; R44-D48 PolarHBondContact NH1-O 3.46Å; R44-D48 IonicContact NH1-OD1 3.27Å; R44-D48 PolarHBondContact NH1-OD1 3.47Å; R44-D48 IonicContact NH2-OD1 2.65Å; R44-D48 PolarHBondContact NH2-OD1 3.26Å; D48-R184 PolarHBondContact O-NH2 2.87Å; D48-R184 IonicContact OD1-CZ 3.23Å; D48-R184 IonicContact OD1-NH1 3.09Å; D48-R184 PolarHBondContact OD1-NH1 3.45Å; D48-R184 IonicContact OD1-NH2 3.81Å; D48-R184 PolarHBondContact OD1-NH2 2.91Å; D48-R184 IonicContact OD2-CZ 2.67Å; D48-R184 IonicContact OD2-NH1 3.98Å; D48-R184 PolarHBondContact OD2-NH1 3.33Å; D48-R184 IonicContact OD2-NH2 3.28Å
49R41.6Very low60.1Low219 Ų21985.2 Ų85.283%0.82644%0.444SS*.SBendtrans-127.4112.5173.8-64.1-171.8180-165.60.7108.6D47 A51D47-R49 PolarHBondContact O-N 2.87Å; R49-A51 PolarHBondContact O-N 3.27Å
50M41.2Very low59.1Low73 Ų7387.9 Ų87.936%0.3646%0.46SS..  trans-66117.1170.6-75.5-166.2-63.200109.1T40 L182T40-M50 HydrophobicContact CG2-SD 4.21Å; M50-L182 HydrophobicContact CE-CD1 3.56Å; M50-L182 HydrophobicContact CE-CG 4.12Å; M50-L182 WeakPolarHBondContact CE-O 3.25Å; M50-L182 HydrophobicContact SD-CD1 3.95Å
51A37.7Very low58.3Low60 Ų6087.5 Ų87.550%0.49646%0.46SS..  trans-83.4125.3151.700000107.4R49 H53R49-A51 PolarHBondContact O-N 3.27Å; A51-H53 PolarHBondContact O-CD2 2.99Å; A51-H53 PolarHBondContact O-N 3.14Å
52Q36.7Very low57.7Low199 Ų19990 Ų9093%0.9347%0.471SS*.  trans-74.4108.3173.8-167.2174.67.800107.5
53H45.8Very low57.4Low122 Ų12295.2 Ų95.257%0.56550%0.496SS*.PPolyproline II helixtrans-93.3146.5-175.8-86.2-87.9000113.1H43 A51H43-H53 AromaticContact CD2-CD2 3.8Å; H43-H53 AromaticContact NE2-CD2 3.7Å; H43-H53 AromaticContact NE2-NE2 3.88Å; A51-H53 PolarHBondContact O-CD2 2.99Å; A51-H53 PolarHBondContact O-N 3.14Å
54V35.6Very low57.4Low124 Ų12495 Ų9575%0.75250%0.495SS*.PPolyproline II helixtrans-82.6143.1171.3-177.30000108.4T56V54-T56 PolarHBondContact O-N 3.06Å
55P36.2Very low57.2Low118 Ų11897.9 Ų97.977%0.76652%0.517SS*.PPolyproline II helixtrans-53.7133.9-178.8-25.433.6000113.5
56T42.7Very low57.1Low59 Ų5998 Ų9836%0.36252%0.518SS..PPolyproline II helixtrans-80128.6-179.46.70000111.3V54 D75V54-T56 PolarHBondContact O-N 3.06Å; T56-D75 PolarHBondContact OG1-OD2 2.86Å
57L37.9Very low57.3Low156 Ų15695.4 Ų95.482%0.81753%0.526SS*.  trans-82.5-9.9-171.5-86.1154.8000115.5
58H42.6Very low58.1Low135 Ų13593 Ų9363%0.62552%0.521SS*.SBendtrans-130.6156.7-173.3-63.693.8000112.9T60H58-T60 VanDerWaalsContact C-N 3.31Å; H58-T60 PolarHBondContact O-N 3.34Å; H58-T60 PolarHBondContact O-OG1 2.86Å
59P49.3Very low59.6Low103 Ų10388.7 Ų88.767%0.66950%0.498SS*.  trans-68.585178.9-6.119.1000110.7L76P59-L76 HydrophobicContact CB-CD1 3.4Å; P59-L76 HydrophobicContact CB-CG 4.21Å; P59-L76 HydrophobicContact CG-CD1 3.34Å
60T63.9Low61.9Low69 Ų6983.8 Ų83.842%0.42348%0.48SS..  trans-118.3118.8173.136.20000109H58H58-T60 VanDerWaalsContact C-N 3.31Å; H58-T60 PolarHBondContact O-N 3.34Å; H58-T60 PolarHBondContact O-OG1 2.86Å
61S73.7Confident64.1Low53 Ų5380.3 Ų80.337%0.37146%0.463SS..EExtended strand (participates in β ladder)trans-68.7135.2160.756.50000108.3T73 F74S61-T73 VanDerWaalsContact CA-O 3.26Å; S61-T73 WeakPolarHBondContact CA-O 3.28Å; S61-F74 VanDerWaalsContact CB-CE1 3.47Å
62E80Confident66.5Low52 Ų5277.7 Ų77.724%0.24344%0.44CS..EExtended strand (participates in β ladder)trans-104135.9167.1-61.6-172.9-161.900109.4L42 H43 T72 T73L42-E62 HydrophobicContact CD2-CB 3.5Å; L42-E62 VanDerWaalsContact CD2-CB 3.5Å; H43-E62 IonicContact CE1-OE2 3.49Å; H43-E62 PolarHBondContact CE1-OE2 3.47Å; H43-E62 IonicContact NE2-OE2 3.62Å; E62-T72 CarbonylContact O-C 3.58Å; E62-T72 WeakPolarHBondContact O-CA 3.44Å; E62-T73 HydrophobicContact CB-CG2 3.73Å; E62-T73 HydrophobicContact CG-CG2 4.48Å; E62-T73 PolarHBondContact N-O 2.82Å; E62-T73 PolarHBondContact O-N 2.8Å
63E82.7Confident68.8Low114 Ų11468.2 Ų68.253%0.53340%0.396SS..EExtended strand (participates in β ladder)trans-119.7140.2177.9-171.6176.7121.300110.4R70 F71E63-R70 VanDerWaalsContact CD-CD 3.42Å; E63-R70 HydrophobicContact CG-CG 3.76Å; E63-R70 WeakPolarHBondContact OE1-CD 3.5Å; E63-R70 IonicContact OE1-NE 2.73Å; E63-R70 PolarHBondContact OE1-NE 3.41Å; E63-R70 WeakPolarHBondContact OE2-CD 3.18Å; E63-F71 CarbonylContact C-O 3.46Å; E63-F71 VanDerWaalsContact CA-O 3.31Å; E63-F71 WeakPolarHBondContact CA-O 3.42Å
64L84Confident70.2Confident22 Ų2262.9 Ų62.912%0.11537%0.371CS..EExtended strand (participates in β ladder)trans-130.4124.6173.6175.863.6000108.3L42 L45 K46 I66 F71L42-L64 HydrophobicContact CD1-CB 3.68Å; L42-L64 HydrophobicContact CD1-CD2 4.12Å; L42-L64 HydrophobicContact CD2-CB 4.46Å; L42-L64 HydrophobicContact CG-CB 4.1Å; L42-L64 HydrophobicContact CG-CD2 4.35Å; L42-L64 WeakPolarHBondContact O-CD2 3.35Å; L45-L64 HydrophobicContact CB-CD2 3.66Å; K46-L64 HydrophobicContact CB-CD1 3.86Å; K46-L64 HydrophobicContact CB-CD2 3.81Å; K46-L64 HydrophobicContact CB-CG 4.47Å; K46-L64 HydrophobicContact CD-CD1 4.29Å; K46-L64 HydrophobicContact CG-CD1 3.8Å; L64-I66 HydrophobicContact CD1-CD1 4.38Å; L64-I66 HydrophobicContact CD1-CG1 4.04Å; L64-I66 HydrophobicContact CD2-CD1 3.79Å; L64-I66 HydrophobicContact CD2-CG1 4.15Å; L64-I66 HydrophobicContact CG-CD1 4.02Å; L64-I66 HydrophobicContact CG-CG1 3.79Å; L64-F71 HydrophobicContact CB-CB 4.39Å; L64-F71 HydrophobicContact CD2-CD2 4.49Å; L64-F71 HydrophobicContact CG-CD2 4.44Å; L64-F71 PolarHBondContact N-O 2.89Å; L64-F71 WeakPolarHBondContact O-CD2 3.07Å; L64-F71 PolarHBondContact O-N 2.75Å
65S83.3Confident71.6Confident73 Ų7358.5 Ų58.551%0.5134%0.344SS..EExtended strand (participates in β ladder)trans-109.9126.5172.1-68.90000109.6M69S65-M69 CarbonylContact C-O 3.54Å; S65-M69 WeakPolarHBondContact CA-O 3.42Å
66I80Confident72.5Confident9 Ų955 Ų555%0.04632%0.318CS..EExtended strand (participates in β ladder)trans-135.1112.6179.1-49.5-175.7000108.4V12 L16 L45 L64 G68 M69 F71V12-I66 HydrophobicContact CB-CG2 3.96Å; V12-I66 HydrophobicContact CG1-CG2 3.16Å; V12-I66 HydrophobicContact CG2-CG2 3.94Å; L16-I66 HydrophobicContact CD1-CB 4.45Å; L16-I66 HydrophobicContact CD1-CG2 3.78Å; L16-I66 HydrophobicContact CD2-CB 4.19Å; L16-I66 HydrophobicContact CD2-CG2 4.02Å; L16-I66 HydrophobicContact CG-CB 4.44Å; L16-I66 HydrophobicContact CG-CG2 3.74Å; L45-I66 HydrophobicContact CB-CD1 4.4Å; L45-I66 WeakPolarHBondContact O-CD1 3.42Å; L64-I66 HydrophobicContact CD1-CD1 4.38Å; L64-I66 HydrophobicContact CD1-CG1 4.04Å; L64-I66 HydrophobicContact CD2-CD1 3.79Å; L64-I66 HydrophobicContact CD2-CG1 4.15Å; L64-I66 HydrophobicContact CG-CD1 4.02Å; L64-I66 HydrophobicContact CG-CG1 3.79Å; I66-G68 PolarHBondContact O-N 3.32Å; I66-M69 PolarHBondContact N-O 3.39Å; I66-M69 WeakPolarHBondContact O-CB 3.43Å; I66-M69 PolarHBondContact O-N 3Å; I66-F71 HydrophobicContact CB-CE2 4.24Å; I66-F71 HydrophobicContact CD1-CE2 4.26Å; I66-F71 HydrophobicContact CG1-CE2 4.2Å
67G82Confident72.7Confident68 Ų6852.2 Ų52.270%0.70130%0.301SS*.THydrogen-bonded Turntrans60.4-131.2-174.100000111.2M69G67-M69 VanDerWaalsContact C-N 3.3Å
68G85.6Confident73.2Confident34 Ų3446.5 Ų46.535%0.35128%0.28SS..EExtended strand (participates in β ladder)trans-80.9-5.3173.900000114.6K24 N25 G26 I66K24-G68 CarbonylContact O-C 3.57Å; K24-G68 WeakPolarHBondContact O-CA 3.18Å; N25-G68 WeakPolarHBondContact CA-O 3.3Å; N25-G68 VanDerWaalsContact OD1-CA 3.3Å; N25-G68 WeakPolarHBondContact OD1-CA 2.96Å; G26-G68 PolarHBondContact N-O 3.38Å; G26-G68 VanDerWaalsContact N-O 3.12Å; I66-G68 PolarHBondContact O-N 3.32Å
69M89.6Confident74.1Confident1 Ų147.2 Ų47.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-94.7135.8-176.2-62.3-57.4-58.900111.8L16 L21 K24 G26 L28 S65 I66 G67 F71 L198L16-M69 HydrophobicContact CD2-CB 4.4Å; L16-M69 HydrophobicContact CD2-CG 4.21Å; L21-M69 HydrophobicContact CB-CG 4.11Å; L21-M69 HydrophobicContact CD1-CE 4.35Å; L21-M69 HydrophobicContact CD1-CG 4.47Å; L21-M69 HydrophobicContact CD2-CE 4.12Å; L21-M69 HydrophobicContact CD2-SD 4.42Å; K24-M69 HydrophobicContact CB-SD 3.76Å; G26-M69 CarbonylContact O-C 3.58Å; G26-M69 WeakPolarHBondContact O-CA 3.41Å; L28-M69 HydrophobicContact CD1-CE 3.9Å; L28-M69 HydrophobicContact CG-CE 3.83Å; S65-M69 CarbonylContact C-O 3.54Å; S65-M69 WeakPolarHBondContact CA-O 3.42Å; I66-M69 PolarHBondContact N-O 3.39Å; I66-M69 WeakPolarHBondContact O-CB 3.43Å; I66-M69 PolarHBondContact O-N 3Å; G67-M69 VanDerWaalsContact C-N 3.3Å; M69-F71 HydrophobicContact CB-CD2 4.45Å; M69-F71 HydrophobicContact CB-CE2 3.59Å; M69-F71 HydrophobicContact CB-CZ 3.67Å; M69-F71 HydrophobicContact CG-CZ 4.33Å; M69-L198 HydrophobicContact CE-CD1 3.97Å
70R88.6Confident74.9Confident116 Ų11647.4 Ų47.444%0.43828%0.275SS..EExtended strand (participates in β ladder)trans-115.4129.4169.6-176.3-176.8-67.3149.29.1109.2G26 K27 L28 E63G26-R70 PolarHBondContact O-N 3.33Å; K27-R70 CarbonylContact C-O 3.51Å; K27-R70 WeakPolarHBondContact CA-O 3.47Å; L28-R70 PolarHBondContact N-O 3.33Å; E63-R70 VanDerWaalsContact CD-CD 3.42Å; E63-R70 HydrophobicContact CG-CG 3.76Å; E63-R70 WeakPolarHBondContact OE1-CD 3.5Å; E63-R70 IonicContact OE1-NE 2.73Å; E63-R70 PolarHBondContact OE1-NE 3.41Å; E63-R70 WeakPolarHBondContact OE2-CD 3.18Å
71F89Confident75.1Confident0 Ų051.2 Ų51.20%029%0.288CS..EExtended strand (participates in β ladder)trans-117.1128.1177.6-51.5-92.9000108.6L16 L21 L28 F30 L42 L45 E63 L64 I66 M69 F191L16-F71 HydrophobicContact CD2-CZ 4.29Å; L21-F71 HydrophobicContact CD1-CE1 3.82Å; L21-F71 HydrophobicContact CD1-CZ 3.76Å; L28-F71 HydrophobicContact CB-CD1 4.07Å; L28-F71 HydrophobicContact CD1-CD1 4.14Å; L28-F71 HydrophobicContact CD1-CE1 3.85Å; L28-F71 CarbonylContact O-C 3.59Å; L28-F71 WeakPolarHBondContact O-CA 3.47Å; F30-F71 HydrophobicContact CE1-CD1 4.02Å; F30-F71 HydrophobicContact CZ-CB 4.21Å; F30-F71 AromaticContact CZ-CD1 3.64Å; F30-F71 HydrophobicContact CZ-CD1 3.64Å; F30-F71 HydrophobicContact CZ-CE1 4.48Å; F30-F71 HydrophobicContact CZ-CG 4.31Å; L42-F71 HydrophobicContact CD1-CB 3.61Å; L45-F71 HydrophobicContact CD1-CD1 3.84Å; L45-F71 HydrophobicContact CD1-CE1 3.91Å; L45-F71 HydrophobicContact CD1-CG 4.17Å; L45-F71 HydrophobicContact CD1-CZ 4.35Å; E63-F71 CarbonylContact C-O 3.46Å; E63-F71 VanDerWaalsContact CA-O 3.31Å; E63-F71 WeakPolarHBondContact CA-O 3.42Å; L64-F71 HydrophobicContact CB-CB 4.39Å; L64-F71 HydrophobicContact CD2-CD2 4.49Å; L64-F71 HydrophobicContact CG-CD2 4.44Å; L64-F71 PolarHBondContact N-O 2.89Å; L64-F71 WeakPolarHBondContact O-CD2 3.07Å; L64-F71 PolarHBondContact O-N 2.75Å; I66-F71 HydrophobicContact CB-CE2 4.24Å; I66-F71 HydrophobicContact CD1-CE2 4.26Å; I66-F71 HydrophobicContact CG1-CE2 4.2Å; M69-F71 HydrophobicContact CB-CD2 4.45Å; M69-F71 HydrophobicContact CB-CE2 3.59Å; M69-F71 HydrophobicContact CB-CZ 3.67Å; M69-F71 HydrophobicContact CG-CZ 4.33Å; F71-F191 HydrophobicContact CE1-CE1 4.48Å
72T86.5Confident74.8Confident4 Ų449.5 Ų49.53%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-125.1130.4177.8-50.70000110L28 V29 F30 E62 F74L28-T72 PolarHBondContact O-N 2.89Å; V29-T72 CarbonylContact C-O 3.58Å; V29-T72 VanDerWaalsContact CA-O 3.32Å; V29-T72 WeakPolarHBondContact CA-O 3.49Å; F30-T72 PolarHBondContact N-O 3.5Å; E62-T72 CarbonylContact O-C 3.58Å; E62-T72 WeakPolarHBondContact O-CA 3.44Å; T72-F74 HydrophobicContact CG2-CE2 3.76Å; T72-F74 HydrophobicContact CG2-CZ 3.72Å
73T85.2Confident74.7Confident0 Ų047.5 Ų47.50%027%0.268CS..EExtended strand (participates in β ladder)trans-116.6154173.1-175.70000110.8K38 L42 S61 E62K38-T73 WeakPolarHBondContact CB-OG1 3.31Å; L42-T73 HydrophobicContact CB-CG2 4.27Å; L42-T73 HydrophobicContact CD2-CG2 3.55Å; L42-T73 HydrophobicContact CG-CG2 4.42Å; S61-T73 VanDerWaalsContact CA-O 3.26Å; S61-T73 WeakPolarHBondContact CA-O 3.28Å; E62-T73 HydrophobicContact CB-CG2 3.73Å; E62-T73 HydrophobicContact CG-CG2 4.48Å; E62-T73 PolarHBondContact N-O 2.82Å; E62-T73 PolarHBondContact O-N 2.8Å
74F77Confident74.5Confident11 Ų1151.1 Ų51.15%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-118.3107.4174.2-67.3-85.4000109.7V29 L31 K38 S61 T72 Y89V29-F74 HydrophobicContact CG2-CD2 3.98Å; V29-F74 HydrophobicContact CG2-CE2 3.64Å; L31-F74 HydrophobicContact CD2-CB 4.42Å; L31-F74 HydrophobicContact CD2-CD2 3.57Å; L31-F74 HydrophobicContact CD2-CE2 4.38Å; L31-F74 HydrophobicContact CD2-CG 4.33Å; K38-F74 WeakPolarHBondContact CE-O 3.29Å; K38-F74 PolarHBondContact NZ-O 2.96Å; S61-F74 VanDerWaalsContact CB-CE1 3.47Å; T72-F74 HydrophobicContact CG2-CE2 3.76Å; T72-F74 HydrophobicContact CG2-CZ 3.72Å; F74-Y89 HydrophobicContact CD1-CD2 4.33Å; F74-Y89 HydrophobicContact CD1-CE2 4.39Å; F74-Y89 AromaticContact CE1-CD1 3.93Å; F74-Y89 HydrophobicContact CE1-CD1 3.93Å; F74-Y89 AromaticContact CE1-CD2 3.28Å; F74-Y89 HydrophobicContact CE1-CD2 3.28Å; F74-Y89 AromaticContact CE1-CE1 3.95Å; F74-Y89 HydrophobicContact CE1-CE1 3.95Å; F74-Y89 AromaticContact CE1-CE2 3.36Å; F74-Y89 HydrophobicContact CE1-CE2 3.36Å; F74-Y89 AromaticContact CE1-CG 3.58Å; F74-Y89 HydrophobicContact CE1-CG 3.58Å; F74-Y89 AromaticContact CE1-CZ 3.67Å; F74-Y89 HydrophobicContact CE2-CD1 4.46Å; F74-Y89 HydrophobicContact CE2-CD2 4.28Å; F74-Y89 AromaticContact CE2-CG 3.95Å; F74-Y89 HydrophobicContact CE2-CG 3.95Å; F74-Y89 AromaticContact CZ-CD1 3.39Å; F74-Y89 HydrophobicContact CZ-CD1 3.39Å; F74-Y89 AromaticContact CZ-CD2 3.3Å; F74-Y89 HydrophobicContact CZ-CD2 3.3Å; F74-Y89 AromaticContact CZ-CE1 3.84Å; F74-Y89 HydrophobicContact CZ-CE1 3.84Å; F74-Y89 AromaticContact CZ-CE2 3.81Å; F74-Y89 HydrophobicContact CZ-CE2 3.81Å; F74-Y89 AromaticContact CZ-CG 3.06Å; F74-Y89 HydrophobicContact CZ-CG 3.06Å
75D63.9Low74.2Confident32 Ų3252.8 Ų52.817%0.17129%0.287CS..  trans-77-25.3-171.4-119.8-21000113.8T39 T56 G77T39-D75 WeakPolarHBondContact CB-OD2 3.19Å; T39-D75 WeakPolarHBondContact CG2-OD2 3.35Å; T39-D75 PolarHBondContact OG1-OD1 3.43Å; T39-D75 PolarHBondContact OG1-OD2 2.71Å; T56-D75 PolarHBondContact OG1-OD2 2.86Å; D75-G77 VanDerWaalsContact C-N 3.26Å; D75-G77 PolarHBondContact O-N 3.36Å
76L54.9Low74.1Confident44 Ų4449.7 Ų49.723%0.2326%0.264CS..  trans-80.479174.2-66.8-163000111.5P59 A82P59-L76 HydrophobicContact CB-CD1 3.4Å; P59-L76 HydrophobicContact CB-CG 4.21Å; P59-L76 HydrophobicContact CG-CD1 3.34Å; L76-A82 HydrophobicContact CB-CB 3.4Å; L76-A82 VanDerWaalsContact CB-CB 3.4Å; L76-A82 HydrophobicContact CD1-CB 4.07Å; L76-A82 HydrophobicContact CG-CB 4.47Å; L76-A82 WeakPolarHBondContact O-CB 3.36Å
77G47.8Very low74.2Confident0 Ų055.5 Ų55.50%029%0.289CS..  trans-95.7-2.7168.500000114.2D34 D75 R83D34-G77 PolarHBondContact N-O 3.26Å; D75-G77 VanDerWaalsContact C-N 3.26Å; D75-G77 PolarHBondContact O-N 3.36Å; G77-R83 VanDerWaalsContact O-CZ 3.28Å; G77-R83 PolarHBondContact O-NE 2.79Å; G77-R83 PolarHBondContact O-NH2 3.19Å
78G48.4Very low74Confident36 Ų3657.7 Ų57.737%0.37129%0.285SS..SBendtrans-86.6-24.1-166.700000116.1D34D34-G78 WeakPolarHBondContact OD1-CA 3.43Å
79H60.2Low73.5Confident150 Ų15060.3 Ų60.369%0.69429%0.285SS*.SBendtrans-119131.2176.2-70-61.6000109Q81 A82H79-Q81 PolarHBondContact O-N 3.38Å; H79-A82 PolarHBondContact O-N 3.04Å
80E67.7Low72.9Confident108 Ų10860.3 Ų60.351%0.50529%0.285SS..Hα-helixtrans-47.5-31.5176.5-71.2-170140.500112.4A82 R83 K113E80-A82 PolarHBondContact O-N 3.28Å; E80-R83 PolarHBondContact O-N 3.3Å; E80-K113 IonicContact OE1-NZ 2.76Å; E80-K113 PolarHBondContact OE1-NZ 3.28Å
81Q66.3Low72.5Confident148 Ų14857.2 Ų57.269%0.69228%0.28SS*.Hα-helixtrans-62.6-39.5177.1-65.4-176.211.100113.3H79 R83 R84H79-Q81 PolarHBondContact O-N 3.38Å; Q81-R83 VanDerWaalsContact C-N 3.28Å; Q81-R83 PolarHBondContact O-N 2.8Å; Q81-R84 VanDerWaalsContact O-CB 3.31Å; Q81-R84 WeakPolarHBondContact O-CB 3.35Å; Q81-R84 WeakPolarHBondContact O-CG 3.5Å; Q81-R84 PolarHBondContact O-N 3.45Å
82A69.2Low72Confident18 Ų1861.3 Ų61.315%0.14931%0.314CS..Hα-helixtrans-71.5-25.8178.200000112.1L76 H79 E80 R84 V85L76-A82 HydrophobicContact CB-CB 3.4Å; L76-A82 VanDerWaalsContact CB-CB 3.4Å; L76-A82 HydrophobicContact CD1-CB 4.07Å; L76-A82 HydrophobicContact CG-CB 4.47Å; L76-A82 WeakPolarHBondContact O-CB 3.36Å; H79-A82 PolarHBondContact O-N 3.04Å; E80-A82 PolarHBondContact O-N 3.28Å; A82-R84 PolarHBondContact O-N 3.37Å; A82-V85 WeakPolarHBondContact O-CG2 3.4Å; A82-V85 PolarHBondContact O-N 2.98Å
83R76.7Confident72.3Confident10 Ų1061.8 Ų61.84%0.03832%0.316CS..Hα-helixtrans-70.5-19.8175.6-55.4-177.6-162.9143.88.2112.6L33 G77 E80 Q81 V85 W86 E110 E114L33-R83 VanDerWaalsContact CD2-CZ 3.49Å; G77-R83 VanDerWaalsContact O-CZ 3.28Å; G77-R83 PolarHBondContact O-NE 2.79Å; G77-R83 PolarHBondContact O-NH2 3.19Å; E80-R83 PolarHBondContact O-N 3.3Å; Q81-R83 VanDerWaalsContact C-N 3.28Å; Q81-R83 PolarHBondContact O-N 2.8Å; R83-V85 PolarHBondContact O-N 3.18Å; R83-W86 HydrophobicContact CB-CD2 4.27Å; R83-W86 HydrophobicContact CB-CZ2 4.36Å; R83-W86 HydrophobicContact CG-CH2 4.33Å; R83-W86 HydrophobicContact CG-CZ2 3.9Å; R83-W86 WeakPolarHBondContact O-CB 3.48Å; R83-W86 PolarHBondContact O-N 3.12Å; R83-W86 VanDerWaalsContact O-N 3.13Å; R83-E110 IonicContact CZ-OE1 2.74Å; R83-E110 VanDerWaalsContact CZ-OE1 3.23Å; R83-E110 IonicContact NH1-OE1 3.09Å; R83-E110 PolarHBondContact NH1-OE1 2.86Å; R83-E110 IonicContact NH2-OE1 2.96Å; R83-E110 PolarHBondContact NH2-OE1 3.12Å; R83-E114 WeakPolarHBondContact CD-OE1 3.49Å; R83-E114 IonicContact CZ-OE1 3.82Å; R83-E114 IonicContact NE-OE1 3.2Å; R83-E114 IonicContact NH1-OE1 2.75Å; R83-E114 PolarHBondContact NH1-OE1 2.92Å
84R77.7Confident72.8Confident189 Ų18965.3 Ų65.371%0.71334%0.335SS*.G310 helixtrans-59.8-29174.8-62.4-179179.2-174.7-1.1112.9Q81 A82 W86Q81-R84 VanDerWaalsContact O-CB 3.31Å; Q81-R84 WeakPolarHBondContact O-CB 3.35Å; Q81-R84 WeakPolarHBondContact O-CG 3.5Å; Q81-R84 PolarHBondContact O-N 3.45Å; A82-R84 PolarHBondContact O-N 3.37Å; R84-W86 VanDerWaalsContact C-N 3.33Å
85V77.9Confident73.7Confident57 Ų5764.8 Ų64.835%0.34533%0.333SS..G310 helixtrans-80.3-11.4-179.5-58.90000113.5A82 R83 K87 N88 Y89A82-V85 WeakPolarHBondContact O-CG2 3.4Å; A82-V85 PolarHBondContact O-N 2.98Å; R83-V85 PolarHBondContact O-N 3.18Å; V85-K87 PolarHBondContact O-N 3.37Å; V85-K87 VanDerWaalsContact O-N 3.14Å; V85-N88 WeakPolarHBondContact O-CB 3.29Å; V85-N88 PolarHBondContact O-N 3.14Å; V85-Y89 VanDerWaalsContact O-CD2 3.3Å; V85-Y89 WeakPolarHBondContact O-CD2 3.35Å
86W83Confident75.2Confident8 Ų863.2 Ų63.23%0.0333%0.325CS..G310 helixtrans-53.1-39.4177.4-68.2-1.5000111.5L31 G32 R83 R84 N88 Y89 I90 F98 E114 L118L31-W86 HydrophobicContact CB-CE3 4.42Å; L31-W86 HydrophobicContact CB-CH2 4.31Å; L31-W86 HydrophobicContact CB-CZ2 4.41Å; L31-W86 HydrophobicContact CB-CZ3 4.31Å; L31-W86 HydrophobicContact CD1-CB 4.32Å; L31-W86 HydrophobicContact CD1-CD2 4.02Å; L31-W86 HydrophobicContact CD1-CE3 3.92Å; L31-W86 HydrophobicContact CD1-CG 4.23Å; L31-W86 HydrophobicContact CD2-CD2 3.87Å; L31-W86 HydrophobicContact CD2-CE3 4.49Å; L31-W86 HydrophobicContact CD2-CG 3.86Å; L31-W86 HydrophobicContact CG-CD2 4.38Å; G32-W86 WeakPolarHBondContact O-CZ2 3.31Å; R83-W86 HydrophobicContact CB-CD2 4.27Å; R83-W86 HydrophobicContact CB-CZ2 4.36Å; R83-W86 HydrophobicContact CG-CH2 4.33Å; R83-W86 HydrophobicContact CG-CZ2 3.9Å; R83-W86 WeakPolarHBondContact O-CB 3.48Å; R83-W86 PolarHBondContact O-N 3.12Å; R83-W86 VanDerWaalsContact O-N 3.13Å; R84-W86 VanDerWaalsContact C-N 3.33Å; W86-N88 PolarHBondContact O-N 3.11Å; W86-N88 VanDerWaalsContact O-N 3.07Å; W86-Y89 PolarHBondContact O-N 3.14Å; W86-I90 HydrophobicContact CB-CD1 4.2Å; W86-I90 VanDerWaalsContact O-CG1 3.24Å; W86-I90 WeakPolarHBondContact O-CG1 3.05Å; W86-I90 PolarHBondContact O-N 2.78Å; W86-F98 HydrophobicContact CH2-CE2 4.42Å; W86-F98 HydrophobicContact CZ3-CE2 4.38Å; W86-E114 HydrophobicContact CH2-CB 4.2Å; W86-E114 HydrophobicContact CH2-CG 4.41Å; W86-E114 HydrophobicContact CZ3-CB 3.99Å; W86-E114 HydrophobicContact CZ3-CG 4.48Å; W86-L118 HydrophobicContact CE3-CD1 4.23Å; W86-L118 HydrophobicContact CE3-CD2 4.08Å; W86-L118 HydrophobicContact CE3-CG 4.35Å; W86-L118 HydrophobicContact CZ3-CD1 3.93Å; W86-L118 HydrophobicContact CZ3-CG 4.38Å
87K80.2Confident77.2Confident131 Ų13161.1 Ų61.157%0.5731%0.314SS*.G310 helixtrans-55.5-25.6176.9-56.9-171.7177.7-165.30114.3V85 Y89 P91V85-K87 PolarHBondContact O-N 3.37Å; V85-K87 VanDerWaalsContact O-N 3.14Å; K87-Y89 VanDerWaalsContact C-N 3.31Å; K87-P91 WeakPolarHBondContact O-CD 3.24Å
88N79.4Confident79.5Confident114 Ų11461.1 Ų61.161%0.6131%0.314SS*.G310 helixtrans-80.2-15.8179.5-60.2-16.6000112.7V85 W86V85-N88 WeakPolarHBondContact O-CB 3.29Å; V85-N88 PolarHBondContact O-N 3.14Å; W86-N88 PolarHBondContact O-N 3.11Å; W86-N88 VanDerWaalsContact O-N 3.07Å
89Y73.6Confident81.8Confident89 Ų8959.4 Ų59.435%0.34930%0.296SS..THydrogen-bonded Turntrans-118.1-15.8-173.5-64.4-90.2000114K27 F74 V85 W86 K87 V93K27-Y89 PolarHBondContact NZ-O 3.33Å; F74-Y89 HydrophobicContact CD1-CD2 4.33Å; F74-Y89 HydrophobicContact CD1-CE2 4.39Å; F74-Y89 AromaticContact CE1-CD1 3.93Å; F74-Y89 HydrophobicContact CE1-CD1 3.93Å; F74-Y89 AromaticContact CE1-CD2 3.28Å; F74-Y89 HydrophobicContact CE1-CD2 3.28Å; F74-Y89 AromaticContact CE1-CE1 3.95Å; F74-Y89 HydrophobicContact CE1-CE1 3.95Å; F74-Y89 AromaticContact CE1-CE2 3.36Å; F74-Y89 HydrophobicContact CE1-CE2 3.36Å; F74-Y89 AromaticContact CE1-CG 3.58Å; F74-Y89 HydrophobicContact CE1-CG 3.58Å; F74-Y89 AromaticContact CE1-CZ 3.67Å; F74-Y89 HydrophobicContact CE2-CD1 4.46Å; F74-Y89 HydrophobicContact CE2-CD2 4.28Å; F74-Y89 AromaticContact CE2-CG 3.95Å; F74-Y89 HydrophobicContact CE2-CG 3.95Å; F74-Y89 AromaticContact CZ-CD1 3.39Å; F74-Y89 HydrophobicContact CZ-CD1 3.39Å; F74-Y89 AromaticContact CZ-CD2 3.3Å; F74-Y89 HydrophobicContact CZ-CD2 3.3Å; F74-Y89 AromaticContact CZ-CE1 3.84Å; F74-Y89 HydrophobicContact CZ-CE1 3.84Å; F74-Y89 AromaticContact CZ-CE2 3.81Å; F74-Y89 HydrophobicContact CZ-CE2 3.81Å; F74-Y89 AromaticContact CZ-CG 3.06Å; F74-Y89 HydrophobicContact CZ-CG 3.06Å; V85-Y89 VanDerWaalsContact O-CD2 3.3Å; V85-Y89 WeakPolarHBondContact O-CD2 3.35Å; W86-Y89 PolarHBondContact O-N 3.14Å; K87-Y89 VanDerWaalsContact C-N 3.31Å; Y89-V93 VanDerWaalsContact O-CG1 3.28Å; Y89-V93 WeakPolarHBondContact O-CG1 3.36Å
90I77.8Confident83.6Confident2 Ų252.4 Ų52.41%0.0126%0.264CS..SBendtrans-59.8-37.7168.1-73.5170.5000113L31 W86 A92 V93 L118 Q123 I124L31-I90 HydrophobicContact CD1-CD1 4.41Å; L31-I90 HydrophobicContact CD1-CG1 4.39Å; W86-I90 HydrophobicContact CB-CD1 4.2Å; W86-I90 VanDerWaalsContact O-CG1 3.24Å; W86-I90 WeakPolarHBondContact O-CG1 3.05Å; W86-I90 PolarHBondContact O-N 2.78Å; I90-A92 PolarHBondContact O-N 2.98Å; I90-V93 WeakPolarHBondContact O-CG2 3.31Å; I90-V93 PolarHBondContact O-N 3.45Å; I90-L118 HydrophobicContact CD1-CD2 3.47Å; I90-L118 VanDerWaalsContact CD1-CD2 3.47Å; I90-Q123 HydrophobicContact CG2-CB 3.94Å; I90-I124 HydrophobicContact CG2-CB 4.12Å; I90-I124 HydrophobicContact CG2-CD1 4.08Å; I90-I124 HydrophobicContact CG2-CG1 3.8Å; I90-I124 HydrophobicContact CG2-CG2 3.39Å
91P79.7Confident85Confident51 Ų5147.7 Ų47.733%0.33124%0.242SC..THydrogen-bonded Turntrans-55.8134.6175.4-0.3-9.9000112.2K27 K87 V93 Q123K27-P91 PolarHBondContact NZ-O 3.41Å; K87-P91 WeakPolarHBondContact O-CD 3.24Å; P91-V93 VanDerWaalsContact C-N 3.33Å; P91-V93 PolarHBondContact O-N 3.48Å; P91-Q123 VanDerWaalsContact CG-OE1 3.25Å
92A79.9Confident86.6Confident85 Ų8540.7 Ų40.770%0.70221%0.209SC*.THydrogen-bonded Turntrans58.834179.400000114.9I90I90-A92 PolarHBondContact O-N 2.98Å
93V92.1Very high88Confident14 Ų1445.2 Ų45.29%0.08522%0.223CC..  trans-87139.7163.7-56.70000110.1K27 V29 Y89 I90 P91 I124K27-V93 HydrophobicContact CD-CG1 4.06Å; K27-V93 HydrophobicContact CG-CG1 4.24Å; V29-V93 HydrophobicContact CB-CG1 4.11Å; V29-V93 HydrophobicContact CG1-CB 4.42Å; V29-V93 HydrophobicContact CG1-CG1 3.99Å; V29-V93 HydrophobicContact CG1-CG2 4.35Å; Y89-V93 VanDerWaalsContact O-CG1 3.28Å; Y89-V93 WeakPolarHBondContact O-CG1 3.36Å; I90-V93 WeakPolarHBondContact O-CG2 3.31Å; I90-V93 PolarHBondContact O-N 3.45Å; P91-V93 VanDerWaalsContact C-N 3.33Å; P91-V93 PolarHBondContact O-N 3.48Å; V93-I124 HydrophobicContact CG2-CG2 3.4Å
94D95.1Very high89Confident74 Ų7446.3 Ų46.340%0.39623%0.23SC..SBendtrans-87.3-15.3176.4-57.1-69.8000111.5G26 K27 P128 L198G26-D94 WeakPolarHBondContact CA-OD2 3.3Å; K27-D94 PolarHBondContact N-OD2 2.79Å; K27-D94 PolarHBondContact O-N 3.27Å; D94-P128 WeakPolarHBondContact O-CD 3.31Å; D94-P128 WeakPolarHBondContact O-CG 3.15Å; D94-L198 HydrophobicContact CB-CD2 3.86Å; D94-L198 WeakPolarHBondContact O-CD2 3.47Å
95G96.2Very high89.9Confident0 Ų041.6 Ų41.60%021%0.212CC..EExtended strand (participates in β ladder)trans-168.7159174.300000112.8K27 L28 V29 P128K27-G95 PolarHBondContact O-N 3.26Å; L28-G95 WeakPolarHBondContact CA-O 3.31Å; L28-G95 VanDerWaalsContact CD2-CA 3.49Å; V29-G95 PolarHBondContact N-O 3.15Å; G95-P128 WeakPolarHBondContact CA-O 3.34Å
96L95.6Very high90.9Very high0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-124.4131.8-179-177155000109.7V29 L31 F98 L118 I124 P128 I129 L130V29-L96 HydrophobicContact CG1-CB 4.13Å; V29-L96 HydrophobicContact CG1-CD1 4.2Å; V29-L96 HydrophobicContact CG1-CG 3.95Å; L31-L96 HydrophobicContact CD1-CD1 3.86Å; L31-L96 HydrophobicContact CD1-CG 4.43Å; L96-F98 HydrophobicContact CD2-CB 3.74Å; L96-L118 HydrophobicContact CD1-CD1 4.2Å; L96-L118 HydrophobicContact CD1-CD2 4.13Å; L96-L118 HydrophobicContact CD2-CD1 4.48Å; L96-I124 HydrophobicContact CD1-CD1 3.68Å; L96-P128 PolarHBondContact N-O 2.91Å; L96-I129 HydrophobicContact CB-CG1 4.3Å; L96-I129 HydrophobicContact CD2-CG1 4.44Å; L96-I129 HydrophobicContact CD2-CG2 3.97Å; L96-I129 CarbonylContact O-C 3.58Å; L96-I129 WeakPolarHBondContact O-CA 3.49Å; L96-L130 PolarHBondContact O-N 3.14Å
97V96.9Very high91.5Very high0 Ų048.3 Ų48.30%024%0.243CC..EExtended strand (participates in β ladder)trans-108.1112.2170-174.10000108.3V29 F30 L31 M99 L130 L132 F191 L194V29-V97 PolarHBondContact O-N 3.42Å; F30-V97 CarbonylContact C-O 3.47Å; F30-V97 WeakPolarHBondContact CA-O 3.44Å; F30-V97 HydrophobicContact CD1-CB 3.62Å; F30-V97 HydrophobicContact CD1-CG1 4.4Å; F30-V97 HydrophobicContact CD1-CG2 3.76Å; F30-V97 HydrophobicContact CE1-CB 4.05Å; F30-V97 HydrophobicContact CE1-CG2 3.69Å; F30-V97 HydrophobicContact CG-CB 4.48Å; L31-V97 PolarHBondContact N-O 3.27Å; V97-M99 HydrophobicContact CG1-CG 4.3Å; V97-L130 CarbonylContact C-O 3.59Å; V97-L130 VanDerWaalsContact CA-O 3.27Å; V97-L130 WeakPolarHBondContact CA-O 3.21Å; V97-L130 HydrophobicContact CG1-CD2 4.21Å; V97-L130 HydrophobicContact CG1-CG 4.32Å; V97-L130 HydrophobicContact CG2-CB 4.39Å; V97-L130 HydrophobicContact CG2-CD2 4.24Å; V97-L132 HydrophobicContact CG1-CD1 3.61Å; V97-L132 HydrophobicContact CG1-CG 3.94Å; V97-F191 HydrophobicContact CG2-CE1 4.11Å; V97-F191 HydrophobicContact CG2-CZ 4.11Å; V97-L194 HydrophobicContact CG2-CD2 3.93Å
98F96.4Very high92.3Very high0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-99.5112.5177.5-169-98.3000110.2L31 W86 L96 V100 S111 E114 L115 L118 L130 I131 L132L31-F98 HydrophobicContact CB-CD2 4.28Å; L31-F98 CarbonylContact O-C 3.37Å; L31-F98 WeakPolarHBondContact O-CA 3.35Å; W86-F98 HydrophobicContact CH2-CE2 4.42Å; W86-F98 HydrophobicContact CZ3-CE2 4.38Å; L96-F98 HydrophobicContact CD2-CB 3.74Å; F98-V100 HydrophobicContact CD1-CG2 3.75Å; F98-V100 HydrophobicContact CE1-CG2 3.6Å; F98-S111 VanDerWaalsContact CE1-OG 3.31Å; F98-S111 WeakPolarHBondContact CE1-OG 3.28Å; F98-S111 VanDerWaalsContact CZ-O 3.29Å; F98-S111 WeakPolarHBondContact CZ-O 3.49Å; F98-E114 HydrophobicContact CE2-CB 4.29Å; F98-E114 HydrophobicContact CZ-CB 4.22Å; F98-L115 HydrophobicContact CB-CD1 4.34Å; F98-L115 HydrophobicContact CD1-CB 4.33Å; F98-L115 HydrophobicContact CD1-CD1 4.01Å; F98-L115 HydrophobicContact CD2-CD1 4.34Å; F98-L115 HydrophobicContact CE1-CB 3.86Å; F98-L115 HydrophobicContact CE1-CD1 4.39Å; F98-L115 HydrophobicContact CE1-CG 4.5Å; F98-L115 HydrophobicContact CE2-CB 4.39Å; F98-L115 HydrophobicContact CG-CD1 3.98Å; F98-L115 HydrophobicContact CZ-CB 3.89Å; F98-L118 HydrophobicContact CD2-CD1 3.51Å; F98-L118 HydrophobicContact CE2-CD1 3.69Å; F98-L130 PolarHBondContact N-O 3.05Å; F98-I131 HydrophobicContact CB-CG1 4.44Å; F98-I131 HydrophobicContact CD1-CG2 4.37Å; F98-I131 CarbonylContact O-C 3.25Å; F98-I131 VanDerWaalsContact O-CA 3.31Å; F98-I131 WeakPolarHBondContact O-CA 3.33Å; F98-L132 PolarHBondContact O-N 3.42Å
99M96.9Very high93.2Very high0 Ų042.7 Ų42.70%022%0.219CC..EExtended strand (participates in β ladder)trans-96.7136.9-178.3-62.3-169.569.300111.9L31 G32 A36 K38 L41 V97 L132 N134 I181L31-M99 PolarHBondContact O-N 3.14Å; G32-M99 WeakPolarHBondContact CA-O 3.4Å; A36-M99 HydrophobicContact CB-CB 3.87Å; A36-M99 VanDerWaalsContact CB-O 3.31Å; A36-M99 WeakPolarHBondContact CB-O 3.42Å; K38-M99 WeakPolarHBondContact CA-SD 3.36Å; K38-M99 HydrophobicContact CB-SD 4.16Å; K38-M99 HydrophobicContact CG-CB 4.11Å; K38-M99 HydrophobicContact CG-CG 4.24Å; K38-M99 HydrophobicContact CG-SD 3.91Å; L41-M99 HydrophobicContact CB-CE 4.29Å; L41-M99 HydrophobicContact CB-SD 4.06Å; L41-M99 HydrophobicContact CD2-CE 4.34Å; L41-M99 HydrophobicContact CD2-SD 3.75Å; V97-M99 HydrophobicContact CG1-CG 4.3Å; M99-L132 HydrophobicContact CG-CB 4.25Å; M99-L132 HydrophobicContact CG-CD1 4.35Å; M99-N134 HydrophobicContact CE-CB 3.97Å; M99-I181 HydrophobicContact CE-CD1 4.5Å; M99-I181 HydrophobicContact CE-CG1 3.88Å
100V97.7Very high94.2Very high3 Ų341.3 Ų41.32%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-125.6133.3175.7-169.70000109.3F98 A102 F108 S111 I131 L132 N134 L147 L151F98-V100 HydrophobicContact CD1-CG2 3.75Å; F98-V100 HydrophobicContact CE1-CG2 3.6Å; V100-A102 PolarHBondContact O-N 2.85Å; V100-F108 HydrophobicContact CG1-CD1 4.23Å; V100-F108 HydrophobicContact CG1-CE1 4.26Å; V100-S111 WeakPolarHBondContact CG2-OG 3.38Å; V100-I131 HydrophobicContact CG2-CG2 4.3Å; V100-L132 PolarHBondContact N-O 3.06Å; V100-N134 PolarHBondContact O-N 3.19Å; V100-L147 HydrophobicContact CG1-CD1 3.93Å; V100-L151 HydrophobicContact CG2-CD1 3.96Å
101D97.6Very high95Very high9 Ų941.2 Ų41.25%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-75.499.4171.5-175.7-13.5000109.1N35 Y103 D104 F108 K135N35-D101 PolarHBondContact ND2-OD2 2.97Å; D101-Y103 PolarHBondContact O-N 2.76Å; D101-Y103 VanDerWaalsContact O-N 3.1Å; D101-Y103 WeakPolarHBondContact OD1-CB 3.22Å; D101-Y103 PolarHBondContact OD1-N 2.86Å; D101-D104 HydrophobicContact CB-CB 4.01Å; D101-D104 PolarHBondContact O-N 2.73Å; D101-F108 WeakPolarHBondContact O-CE1 3.24Å; D101-K135 WeakPolarHBondContact OD1-CD 3.27Å; D101-K135 VanDerWaalsContact OD2-CE 3.27Å; D101-K135 WeakPolarHBondContact OD2-CE 3.41Å; D101-K135 IonicContact OD2-NZ 3.82Å; D101-K135 PolarHBondContact OD2-NZ 2.85Å
102A98.8Very high95.9Very high0 Ų042 Ų420%021%0.213CC..THydrogen-bonded Turntrans-64.2-15.6-177.700000113.3V100 N134 A141 A142 M178V100-A102 PolarHBondContact O-N 2.85Å; A102-N134 WeakPolarHBondContact CB-O 3.35Å; A102-N134 PolarHBondContact N-O 2.84Å; A102-A141 HydrophobicContact CB-CB 4.39Å; A102-A142 VanDerWaalsContact O-CB 3.3Å; A102-A142 WeakPolarHBondContact O-CB 3.32Å; A102-A142 PolarHBondContact O-N 3.1Å; A102-M178 HydrophobicContact CB-CE 3.9Å
103Y98.5Very high96.6Very high113 Ų11342.8 Ų42.844%0.44320%0.201SC..THydrogen-bonded Turntrans-80.8-27.1174.8179.9-100.7000112.5D101 R105 K138 P139D101-Y103 PolarHBondContact O-N 2.76Å; D101-Y103 VanDerWaalsContact O-N 3.1Å; D101-Y103 WeakPolarHBondContact OD1-CB 3.22Å; D101-Y103 PolarHBondContact OD1-N 2.86Å; Y103-R105 PolarHBondContact O-N 3.27Å; Y103-K138 HydrophobicContact CD1-CD 3.73Å; Y103-K138 HydrophobicContact CD2-CB 3.58Å; Y103-K138 HydrophobicContact CD2-CD 3.86Å; Y103-K138 HydrophobicContact CD2-CG 4.4Å; Y103-K138 HydrophobicContact CE1-CD 4.33Å; Y103-K138 HydrophobicContact CE2-CB 4.19Å; Y103-K138 HydrophobicContact CE2-CD 4.44Å; Y103-K138 HydrophobicContact CG-CB 4Å; Y103-K138 HydrophobicContact CG-CD 3.46Å; Y103-K138 VanDerWaalsContact CG-CD 3.46Å; Y103-K138 HydrophobicContact CG-CG 4.41Å; Y103-P139 VanDerWaalsContact CE2-O 3.31Å; Y103-P139 WeakPolarHBondContact CE2-O 3.38Å
104D97.7Very high96.6Very high34 Ų3442.7 Ų42.718%0.18220%0.2CC..  trans-95.868.1-171.2-165.1-3.2000112.8D101 N106 R107 F108D101-D104 HydrophobicContact CB-CB 4.01Å; D101-D104 PolarHBondContact O-N 2.73Å; D104-N106 PolarHBondContact O-N 2.86Å; D104-N106 VanDerWaalsContact O-N 3.13Å; D104-R107 PolarHBondContact O-N 3.18Å; D104-R107 IonicContact OD2-CZ 3.71Å; D104-R107 VanDerWaalsContact OD2-CZ 3.28Å; D104-R107 IonicContact OD2-NE 2.88Å; D104-R107 PolarHBondContact OD2-NE 2.85Å; D104-R107 IonicContact OD2-NH2 2.85Å; D104-R107 PolarHBondContact OD2-NH2 2.79Å; D104-R107 VanDerWaalsContact OD2-NH2 3.09Å; D104-F108 WeakPolarHBondContact O-CD1 3.4Å
105R98.1Very high96.6Very high90 Ų9039.2 Ų39.234%0.3418%0.181SC..G310 helixtrans-54.8-31.6-179.2-71.4-178.2178.472.50.7114Y103 R107 F108 G140 E146Y103-R105 PolarHBondContact O-N 3.27Å; R105-R107 PolarHBondContact O-N 2.87Å; R105-R107 VanDerWaalsContact O-N 3.12Å; R105-F108 HydrophobicContact CB-CD2 4.37Å; R105-F108 HydrophobicContact CB-CE2 4.22Å; R105-F108 HydrophobicContact CB-CZ 4.43Å; R105-F108 HydrophobicContact CG-CD2 4.28Å; R105-F108 HydrophobicContact CG-CE2 3.67Å; R105-F108 HydrophobicContact CG-CZ 3.83Å; R105-F108 PolarHBondContact O-N 3.39Å; R105-F108 VanDerWaalsContact O-N 3.16Å; R105-G140 PolarHBondContact NH1-O 3.06Å; R105-G140 PolarHBondContact NH2-O 3.1Å; R105-E146 WeakPolarHBondContact CD-OE1 3.42Å; R105-E146 IonicContact CZ-OE1 3.16Å; R105-E146 IonicContact CZ-OE2 3.83Å; R105-E146 VanDerWaalsContact NE-CD 3.31Å; R105-E146 IonicContact NE-OE1 2.68Å; R105-E146 PolarHBondContact NE-OE1 2.95Å; R105-E146 IonicContact NE-OE2 2.89Å; R105-E146 PolarHBondContact NE-OE2 3.29Å; R105-E146 IonicContact NH2-OE1 2.87Å; R105-E146 IonicContact NH2-OE2 3.14Å; R105-E146 PolarHBondContact NH2-OE2 2.84Å
106N97.4Very high96.6Very high157 Ų15742 Ų4284%0.8420%0.195SC*.G310 helixtrans-61-23.7-179.1-66.1-31.5000112.2D104D104-N106 PolarHBondContact O-N 2.86Å; D104-N106 VanDerWaalsContact O-N 3.13Å
107R96.1Very high96.5Very high48 Ų4845.8 Ų45.818%0.18122%0.216CC..G310 helixtrans-107.710.6-178.8-61.3-162.1-64.5159.74.5114.1L33 D34 D104 R105 L109 E110 S111L33-R107 HydrophobicContact CD1-CB 3.85Å; D34-R107 PolarHBondContact O-NH2 3.18Å; D34-R107 IonicContact OD1-CZ 3.43Å; D34-R107 IonicContact OD1-NH1 2.81Å; D34-R107 PolarHBondContact OD1-NH1 3.17Å; D34-R107 IonicContact OD2-CZ 3.85Å; D34-R107 IonicContact OD2-NH1 3.69Å; D34-R107 PolarHBondContact OD2-NH1 2.81Å; D34-R107 IonicContact OD2-NH2 2.75Å; D104-R107 PolarHBondContact O-N 3.18Å; D104-R107 IonicContact OD2-CZ 3.71Å; D104-R107 VanDerWaalsContact OD2-CZ 3.28Å; D104-R107 IonicContact OD2-NE 2.88Å; D104-R107 PolarHBondContact OD2-NE 2.85Å; D104-R107 IonicContact OD2-NH2 2.85Å; D104-R107 PolarHBondContact OD2-NH2 2.79Å; D104-R107 VanDerWaalsContact OD2-NH2 3.09Å; R105-R107 PolarHBondContact O-N 2.87Å; R105-R107 VanDerWaalsContact O-N 3.12Å; R107-L109 PolarHBondContact O-N 2.9Å; R107-E110 PolarHBondContact O-N 2.81Å; R107-S111 WeakPolarHBondContact O-CB 3.25Å; R107-S111 PolarHBondContact O-N 3.36Å
108F97.9Very high96.2Very high1 Ų146 Ų460%0.00422%0.217CC..Hα-helixtrans-62.3-41.4177.1-74.4-1.9000112.9V100 D101 D104 R105 E110 S111 K112 A142 L147 F150V100-F108 HydrophobicContact CG1-CD1 4.23Å; V100-F108 HydrophobicContact CG1-CE1 4.26Å; D101-F108 WeakPolarHBondContact O-CE1 3.24Å; D104-F108 WeakPolarHBondContact O-CD1 3.4Å; R105-F108 HydrophobicContact CB-CD2 4.37Å; R105-F108 HydrophobicContact CB-CE2 4.22Å; R105-F108 HydrophobicContact CB-CZ 4.43Å; R105-F108 HydrophobicContact CG-CD2 4.28Å; R105-F108 HydrophobicContact CG-CE2 3.67Å; R105-F108 HydrophobicContact CG-CZ 3.83Å; R105-F108 PolarHBondContact O-N 3.39Å; R105-F108 VanDerWaalsContact O-N 3.16Å; F108-E110 VanDerWaalsContact C-N 3.33Å; F108-E110 PolarHBondContact O-N 3.39Å; F108-S111 PolarHBondContact O-N 3.26Å; F108-K112 WeakPolarHBondContact O-CB 3.3Å; F108-K112 PolarHBondContact O-N 3.27Å; F108-A142 HydrophobicContact CE2-CB 3.8Å; F108-A142 HydrophobicContact CZ-CB 3.59Å; F108-L147 HydrophobicContact CD1-CD1 4.12Å; F108-L147 HydrophobicContact CD2-CD1 4.27Å; F108-L147 HydrophobicContact CE1-CD1 3.72Å; F108-L147 HydrophobicContact CE2-CD1 3.87Å; F108-L147 HydrophobicContact CG-CD1 4.38Å; F108-L147 HydrophobicContact CZ-CD1 3.59Å; F108-F150 HydrophobicContact CB-CB 3.96Å; F108-F150 HydrophobicContact CB-CD1 4.48Å; F108-F150 HydrophobicContact CB-CG 4.26Å; F108-F150 HydrophobicContact CD2-CB 3.71Å; F108-F150 HydrophobicContact CD2-CD1 4.42Å; F108-F150 AromaticContact CD2-CD2 3.57Å; F108-F150 HydrophobicContact CD2-CD2 3.57Å; F108-F150 HydrophobicContact CD2-CE2 4.27Å; F108-F150 AromaticContact CD2-CG 3.66Å; F108-F150 HydrophobicContact CD2-CG 3.66Å; F108-F150 HydrophobicContact CE2-CD2 4.04Å; F108-F150 HydrophobicContact CG-CB 4.25Å; F108-F150 HydrophobicContact CG-CG 4.47Å
109L96.7Very high96.1Very high126 Ų12648 Ų4866%0.6623%0.228SC*.Hα-helixtrans-65.3-37.7177-72173.7000112.3R107 K112 K113R107-L109 PolarHBondContact O-N 2.9Å; L109-K112 PolarHBondContact O-N 3.45Å; L109-K113 PolarHBondContact O-N 3.02Å
110E95Very high95.9Very high60 Ų6055.4 Ų55.428%0.2826%0.262SS..Hα-helixtrans-65.1-44.8174-175.2179.8-16400110.7L33 R83 R107 F108 K112 K113 E114L33-E110 HydrophobicContact CD1-CB 4.04Å; L33-E110 HydrophobicContact CD1-CG 3.97Å; L33-E110 HydrophobicContact CD2-CG 3.97Å; R83-E110 IonicContact CZ-OE1 2.74Å; R83-E110 VanDerWaalsContact CZ-OE1 3.23Å; R83-E110 IonicContact NH1-OE1 3.09Å; R83-E110 PolarHBondContact NH1-OE1 2.86Å; R83-E110 IonicContact NH2-OE1 2.96Å; R83-E110 PolarHBondContact NH2-OE1 3.12Å; R107-E110 PolarHBondContact O-N 2.81Å; F108-E110 VanDerWaalsContact C-N 3.33Å; F108-E110 PolarHBondContact O-N 3.39Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.8Å; E110-K113 WeakPolarHBondContact O-CB 3.2Å; E110-K113 PolarHBondContact O-N 3.4Å; E110-E114 PolarHBondContact O-N 3.1Å; E110-E114 VanDerWaalsContact O-N 3.15Å
111S95.2Very high95.6Very high1 Ų156.4 Ų56.41%0.00727%0.267CS..Hα-helixtrans-62.7-38.7176.3-167.20000112F98 V100 R107 F108 E114 L115F98-S111 VanDerWaalsContact CE1-OG 3.31Å; F98-S111 WeakPolarHBondContact CE1-OG 3.28Å; F98-S111 VanDerWaalsContact CZ-O 3.29Å; F98-S111 WeakPolarHBondContact CZ-O 3.49Å; V100-S111 WeakPolarHBondContact CG2-OG 3.38Å; R107-S111 WeakPolarHBondContact O-CB 3.25Å; R107-S111 PolarHBondContact O-N 3.36Å; F108-S111 PolarHBondContact O-N 3.26Å; S111-E114 PolarHBondContact O-N 3.21Å; S111-L115 WeakPolarHBondContact O-CB 3.18Å; S111-L115 PolarHBondContact O-N 2.87Å
112K97.3Very high95.2Very high67 Ų6764.3 Ų64.329%0.29130%0.304SS..Hα-helixtrans-61.3-49.4174.1-178.5-166.5177.3167.30110.9F108 L109 E110 E114 L115 D116 F150 L151F108-K112 WeakPolarHBondContact O-CB 3.3Å; F108-K112 PolarHBondContact O-N 3.27Å; L109-K112 PolarHBondContact O-N 3.45Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.8Å; K112-E114 PolarHBondContact O-N 3.22Å; K112-L115 CarbonylContact O-C 3.59Å; K112-L115 PolarHBondContact O-N 3.05Å; K112-D116 VanDerWaalsContact CE-OD2 3.3Å; K112-D116 WeakPolarHBondContact CE-OD2 3.29Å; K112-D116 WeakPolarHBondContact O-CB 3.38Å; K112-D116 PolarHBondContact O-N 3.32Å; K112-F150 WeakPolarHBondContact CD-O 3.37Å; K112-L151 HydrophobicContact CB-CD2 4.15Å
113K95Very high94.8Very high101 Ų10169 Ų6944%0.43933%0.326SS..Hα-helixtrans-53.5-44178.2179.9-172.9174.2-171.20111.2E80 L109 E110 N117E80-K113 IonicContact OE1-NZ 2.76Å; E80-K113 PolarHBondContact OE1-NZ 3.28Å; L109-K113 PolarHBondContact O-N 3.02Å; E110-K113 WeakPolarHBondContact O-CB 3.2Å; E110-K113 PolarHBondContact O-N 3.4Å; K113-N117 PolarHBondContact O-N 3.38Å; K113-N117 VanDerWaalsContact O-N 3.1Å; K113-N117 PolarHBondContact O-ND2 2.75Å
114E92.9Very high94.4Very high13 Ų1363.8 Ų63.86%0.06131%0.306CS..Hα-helixtrans-69.4-38.5177.4-62.1-53.5158.200113.1L33 R83 W86 F98 E110 S111 K112 N117 L118L33-E114 HydrophobicContact CD2-CG 3.85Å; R83-E114 WeakPolarHBondContact CD-OE1 3.49Å; R83-E114 IonicContact CZ-OE1 3.82Å; R83-E114 IonicContact NE-OE1 3.2Å; R83-E114 IonicContact NH1-OE1 2.75Å; R83-E114 PolarHBondContact NH1-OE1 2.92Å; W86-E114 HydrophobicContact CH2-CB 4.2Å; W86-E114 HydrophobicContact CH2-CG 4.41Å; W86-E114 HydrophobicContact CZ3-CB 3.99Å; W86-E114 HydrophobicContact CZ3-CG 4.48Å; F98-E114 HydrophobicContact CE2-CB 4.29Å; F98-E114 HydrophobicContact CZ-CB 4.22Å; E110-E114 PolarHBondContact O-N 3.1Å; E110-E114 VanDerWaalsContact O-N 3.15Å; S111-E114 PolarHBondContact O-N 3.21Å; K112-E114 PolarHBondContact O-N 3.22Å; E114-N117 PolarHBondContact O-N 3.49Å; E114-L118 WeakPolarHBondContact O-CG 3.39Å; E114-L118 PolarHBondContact O-N 3.12Å; E114-L118 VanDerWaalsContact O-N 3.14Å
115L95.3Very high94.1Very high0 Ų063.8 Ų63.80%031%0.31CS..Hα-helixtrans-63.9-45.5174.4-179.161.2000111.5F98 S111 K112 N117 L118 L119 I131 L151 L153F98-L115 HydrophobicContact CB-CD1 4.34Å; F98-L115 HydrophobicContact CD1-CB 4.33Å; F98-L115 HydrophobicContact CD1-CD1 4.01Å; F98-L115 HydrophobicContact CD2-CD1 4.34Å; F98-L115 HydrophobicContact CE1-CB 3.86Å; F98-L115 HydrophobicContact CE1-CD1 4.39Å; F98-L115 HydrophobicContact CE1-CG 4.5Å; F98-L115 HydrophobicContact CE2-CB 4.39Å; F98-L115 HydrophobicContact CG-CD1 3.98Å; F98-L115 HydrophobicContact CZ-CB 3.89Å; S111-L115 WeakPolarHBondContact O-CB 3.18Å; S111-L115 PolarHBondContact O-N 2.87Å; K112-L115 CarbonylContact O-C 3.59Å; K112-L115 PolarHBondContact O-N 3.05Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 2.67Å; L115-L118 WeakPolarHBondContact O-CB 3.31Å; L115-L118 PolarHBondContact O-N 3.05Å; L115-L119 HydrophobicContact CD1-CG 4.34Å; L115-L119 HydrophobicContact CG-CD1 4.1Å; L115-L119 HydrophobicContact CG-CG 4.34Å; L115-L119 WeakPolarHBondContact O-CG 3.45Å; L115-L119 PolarHBondContact O-N 3.28Å; L115-I131 HydrophobicContact CD1-CD1 4.35Å; L115-I131 HydrophobicContact CD2-CD1 3.7Å; L115-L151 HydrophobicContact CD2-CB 4.48Å; L115-L153 HydrophobicContact CD2-CD2 3.84Å
116D95.9Very high93.7Very high58 Ų5865.6 Ų65.631%0.3132%0.323SS..Hα-helixtrans-58.9-41.9177.6-73.4-19000110.9K112 L118 L119 Q120K112-D116 VanDerWaalsContact CE-OD2 3.3Å; K112-D116 WeakPolarHBondContact CE-OD2 3.29Å; K112-D116 WeakPolarHBondContact O-CB 3.38Å; K112-D116 PolarHBondContact O-N 3.32Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 3.45Å; D116-L119 PolarHBondContact O-N 2.85Å; D116-Q120 WeakPolarHBondContact O-CG 3.43Å; D116-Q120 PolarHBondContact O-N 2.88Å; D116-Q120 VanDerWaalsContact O-N 3.15Å
117N92.6Very high93.5Very high80 Ų8058.7 Ų58.743%0.42829%0.287SS..Hα-helixtrans-59.9-40.9174.3-69.8-26.5000112.2K113 E114 L115 D121K113-N117 PolarHBondContact O-N 3.38Å; K113-N117 VanDerWaalsContact O-N 3.1Å; K113-N117 PolarHBondContact O-ND2 2.75Å; E114-N117 PolarHBondContact O-N 3.49Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 2.67Å; N117-D121 PolarHBondContact O-N 3.33Å
118L91.8Very high93.6Very high6 Ų656.5 Ų56.53%0.03128%0.279CS..Hα-helixtrans-70.1-38.2177.4-69168.3000111.9L31 W86 I90 L96 F98 E114 L115 D116 Q120 D121 I124L31-L118 HydrophobicContact CB-CD1 4.37Å; L31-L118 HydrophobicContact CD1-CD1 4.04Å; L31-L118 HydrophobicContact CD1-CD2 3.72Å; W86-L118 HydrophobicContact CE3-CD1 4.23Å; W86-L118 HydrophobicContact CE3-CD2 4.08Å; W86-L118 HydrophobicContact CE3-CG 4.35Å; W86-L118 HydrophobicContact CZ3-CD1 3.93Å; W86-L118 HydrophobicContact CZ3-CG 4.38Å; I90-L118 HydrophobicContact CD1-CD2 3.47Å; I90-L118 VanDerWaalsContact CD1-CD2 3.47Å; L96-L118 HydrophobicContact CD1-CD1 4.2Å; L96-L118 HydrophobicContact CD1-CD2 4.13Å; L96-L118 HydrophobicContact CD2-CD1 4.48Å; F98-L118 HydrophobicContact CD2-CD1 3.51Å; F98-L118 HydrophobicContact CE2-CD1 3.69Å; E114-L118 WeakPolarHBondContact O-CG 3.39Å; E114-L118 PolarHBondContact O-N 3.12Å; E114-L118 VanDerWaalsContact O-N 3.14Å; L115-L118 WeakPolarHBondContact O-CB 3.31Å; L115-L118 PolarHBondContact O-N 3.05Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 3.45Å; L118-Q120 PolarHBondContact O-N 2.88Å; L118-D121 PolarHBondContact O-N 3.28Å; L118-D121 VanDerWaalsContact O-N 3.16Å; L118-I124 HydrophobicContact CB-CD1 4.35Å; L118-I124 HydrophobicContact CD2-CD1 4.34Å; L118-I124 WeakPolarHBondContact O-CD1 3.5Å
119L93.8Very high93.6Very high42 Ų4256.4 Ų56.422%0.2228%0.279CS..Hα-helixtrans-64.1-30.3178.5-69.7173000112.3L115 D116 I129 I156 R172 I174L115-L119 HydrophobicContact CD1-CG 4.34Å; L115-L119 HydrophobicContact CG-CD1 4.1Å; L115-L119 HydrophobicContact CG-CG 4.34Å; L115-L119 WeakPolarHBondContact O-CG 3.45Å; L115-L119 PolarHBondContact O-N 3.28Å; D116-L119 PolarHBondContact O-N 2.85Å; L119-I129 HydrophobicContact CD2-CD1 3.63Å; L119-I156 HydrophobicContact CD1-CD1 4.22Å; L119-R172 PolarHBondContact O-NH1 3.32Å; L119-R172 PolarHBondContact O-NH2 2.87Å; L119-I174 HydrophobicContact CD2-CD1 3.6Å
120Q93.2Very high93.7Very high154 Ų15450.4 Ų50.472%0.7225%0.247SC*.THydrogen-bonded Turntrans-84.9-7.6177.3-66.6175.75.900113.9D116 L118 E122D116-Q120 WeakPolarHBondContact O-CG 3.43Å; D116-Q120 PolarHBondContact O-N 2.88Å; D116-Q120 VanDerWaalsContact O-N 3.15Å; L118-Q120 PolarHBondContact O-N 2.88Å; Q120-E122 PolarHBondContact O-N 2.81Å
121D90.8Very high93.9Very high24 Ų2447.6 Ų47.613%0.12823%0.234CC..  trans-77.6115.8-178.8-161.7-46.2000111.1N117 L118 Q123 I124 A125N117-D121 PolarHBondContact O-N 3.33Å; L118-D121 PolarHBondContact O-N 3.28Å; L118-D121 VanDerWaalsContact O-N 3.16Å; D121-Q123 PolarHBondContact O-N 3.13Å; D121-Q123 VanDerWaalsContact OD1-CB 3.26Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.42Å; D121-Q123 WeakPolarHBondContact OD1-CG 3.46Å; D121-Q123 PolarHBondContact OD1-N 3.13Å; D121-Q123 PolarHBondContact OD1-NE2 3.35Å; D121-Q123 VanDerWaalsContact OD1-NE2 3.14Å; D121-I124 HydrophobicContact CB-CD1 4.42Å; D121-I124 HydrophobicContact CB-CG1 3.99Å; D121-I124 PolarHBondContact O-N 3.2Å; D121-A125 PolarHBondContact O-N 3.23Å
122E89.9Confident94Very high176 Ų17647.5 Ų47.582%0.82223%0.234SC*.G310 helixtrans-63.3-26.3-178.1-64.8-176.5174.100112.7Q120 I124 A125Q120-E122 PolarHBondContact O-N 2.81Å; E122-I124 PolarHBondContact O-N 3.2Å; E122-A125 VanDerWaalsContact O-CB 3.27Å; E122-A125 WeakPolarHBondContact O-CB 3.3Å; E122-A125 PolarHBondContact O-N 2.81Å; E122-A125 VanDerWaalsContact O-N 3.12Å
123Q89.2Confident94.1Very high99 Ų9944.3 Ų44.346%0.46322%0.22SC..G310 helixtrans-67-21.6-178.9-61.7173.392.300112.8I90 P91 D121I90-Q123 HydrophobicContact CG2-CB 3.94Å; P91-Q123 VanDerWaalsContact CG-OE1 3.25Å; D121-Q123 PolarHBondContact O-N 3.13Å; D121-Q123 VanDerWaalsContact OD1-CB 3.26Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.42Å; D121-Q123 WeakPolarHBondContact OD1-CG 3.46Å; D121-Q123 PolarHBondContact OD1-N 3.13Å; D121-Q123 PolarHBondContact OD1-NE2 3.35Å; D121-Q123 VanDerWaalsContact OD1-NE2 3.14Å
124I90.8Very high94.3Very high2 Ų239.8 Ų39.81%0.0120%0.2CC..G310 helixtrans-117.820.6175.447.2167.7000112I90 V93 L96 L118 D121 E122 H126 A127 R172I90-I124 HydrophobicContact CG2-CB 4.12Å; I90-I124 HydrophobicContact CG2-CD1 4.08Å; I90-I124 HydrophobicContact CG2-CG1 3.8Å; I90-I124 HydrophobicContact CG2-CG2 3.39Å; V93-I124 HydrophobicContact CG2-CG2 3.4Å; L96-I124 HydrophobicContact CD1-CD1 3.68Å; L118-I124 HydrophobicContact CB-CD1 4.35Å; L118-I124 HydrophobicContact CD2-CD1 4.34Å; L118-I124 WeakPolarHBondContact O-CD1 3.5Å; D121-I124 HydrophobicContact CB-CD1 4.42Å; D121-I124 HydrophobicContact CB-CG1 3.99Å; D121-I124 PolarHBondContact O-N 3.2Å; E122-I124 PolarHBondContact O-N 3.2Å; I124-H126 PolarHBondContact O-N 3.16Å; I124-A127 HydrophobicContact CB-CB 3.98Å; I124-A127 HydrophobicContact CG2-CB 3.97Å; I124-A127 PolarHBondContact O-N 3.07Å; I124-A127 VanDerWaalsContact O-N 3.09Å; I124-R172 PolarHBondContact O-NE 2.87Å; I124-R172 VanDerWaalsContact O-NE 3.1Å; I124-R172 PolarHBondContact O-NH2 3.18Å
125A90.5Very high94.5Very high34 Ų3440.3 Ų40.328%0.28120%0.202SC..THydrogen-bonded Turntrans-45.3-37.1-179.700000113.2D121 E122 R172D121-A125 PolarHBondContact O-N 3.23Å; E122-A125 VanDerWaalsContact O-CB 3.27Å; E122-A125 WeakPolarHBondContact O-CB 3.3Å; E122-A125 PolarHBondContact O-N 2.81Å; E122-A125 VanDerWaalsContact O-N 3.12Å; A125-R172 PolarHBondContact O-NE 2.89Å
126H90.1Very high94.7Very high129 Ų12943.5 Ų43.560%0.59722%0.219SC*.THydrogen-bonded Turntrans-112.7-0.1-175.6-53.7-57.1000114.8I124 K165I124-H126 PolarHBondContact O-N 3.16Å; H126-K165 PolarHBondContact O-NZ 2.94Å
127A94.4Very high94.8Very high11 Ų1143.2 Ų43.29%0.09122%0.217CC..SBendtrans-77131.7-179.900000109.9I124 R172I124-A127 HydrophobicContact CB-CB 3.98Å; I124-A127 HydrophobicContact CG2-CB 3.97Å; I124-A127 PolarHBondContact O-N 3.07Å; I124-A127 VanDerWaalsContact O-N 3.09Å; A127-R172 VanDerWaalsContact O-CG 3.24Å; A127-R172 WeakPolarHBondContact O-CG 3.07Å
128P97.2Very high95Very high2 Ų242.9 Ų42.91%0.01321%0.212CC..  trans-59138173.827.5-37.6000111.4D94 G95 L96 P173 L194 Y197 L198D94-P128 WeakPolarHBondContact O-CD 3.31Å; D94-P128 WeakPolarHBondContact O-CG 3.15Å; G95-P128 WeakPolarHBondContact CA-O 3.34Å; L96-P128 PolarHBondContact N-O 2.91Å; P128-P173 CarbonylContact C-O 3.52Å; P128-P173 VanDerWaalsContact CA-O 3.3Å; P128-P173 WeakPolarHBondContact CA-O 2.91Å; P128-P173 HydrophobicContact CB-CB 3.99Å; P128-P173 HydrophobicContact CB-CG 4.02Å; P128-L194 HydrophobicContact CB-CD1 3.61Å; P128-L194 HydrophobicContact CG-CD1 3.61Å; P128-Y197 HydrophobicContact CB-CD2 4.22Å; P128-Y197 HydrophobicContact CB-CG 4.33Å; P128-L198 HydrophobicContact CG-CD2 4.28Å
129I97.7Very high95.3Very high0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-114.8109.6178.3-63.7178.3000109.3L96 L119 I131 P173 I174 E175 W193L96-I129 HydrophobicContact CB-CG1 4.3Å; L96-I129 HydrophobicContact CD2-CG1 4.44Å; L96-I129 HydrophobicContact CD2-CG2 3.97Å; L96-I129 CarbonylContact O-C 3.58Å; L96-I129 WeakPolarHBondContact O-CA 3.49Å; L119-I129 HydrophobicContact CD2-CD1 3.63Å; I129-I131 HydrophobicContact CG2-CG1 4.1Å; I129-P173 PolarHBondContact N-O 2.88Å; I129-I174 HydrophobicContact CB-CB 4.35Å; I129-I174 HydrophobicContact CB-CD1 4.21Å; I129-I174 HydrophobicContact CB-CG1 4.03Å; I129-I174 HydrophobicContact CG2-CD1 4.12Å; I129-I174 HydrophobicContact CG2-CG1 4.13Å; I129-I174 VanDerWaalsContact O-CA 3.28Å; I129-I174 WeakPolarHBondContact O-CA 3.26Å; I129-E175 PolarHBondContact O-N 2.58Å; I129-W193 WeakPolarHBondContact O-CH2 3.45Å
130L98.6Very high95.5Very high0 Ų048.8 Ų48.80%026%0.262CS..EExtended strand (participates in β ladder)trans-90.2120.6169.4171.658.5000109.7L96 V97 F98 L132 F177 A190 W193 L194L96-L130 PolarHBondContact O-N 3.14Å; V97-L130 CarbonylContact C-O 3.59Å; V97-L130 VanDerWaalsContact CA-O 3.27Å; V97-L130 WeakPolarHBondContact CA-O 3.21Å; V97-L130 HydrophobicContact CG1-CD2 4.21Å; V97-L130 HydrophobicContact CG1-CG 4.32Å; V97-L130 HydrophobicContact CG2-CB 4.39Å; V97-L130 HydrophobicContact CG2-CD2 4.24Å; F98-L130 PolarHBondContact N-O 3.05Å; L130-L132 HydrophobicContact CD1-CD2 4.14Å; L130-L132 HydrophobicContact CD2-CD2 4.14Å; L130-L132 HydrophobicContact CD2-CG 4.29Å; L130-L132 HydrophobicContact CG-CD2 4.15Å; L130-L132 HydrophobicContact CG-CG 4.19Å; L130-F177 HydrophobicContact CD1-CD2 3.53Å; L130-F177 HydrophobicContact CD1-CE2 4.15Å; L130-F177 HydrophobicContact CD1-CG 4.4Å; L130-A190 HydrophobicContact CD1-CB 3.78Å; L130-A190 HydrophobicContact CD2-CB 3.88Å; L130-A190 HydrophobicContact CG-CB 4.43Å; L130-W193 HydrophobicContact CB-CE3 4.27Å; L130-W193 HydrophobicContact CB-CZ3 3.83Å; L130-W193 HydrophobicContact CD1-CE3 3.94Å; L130-W193 HydrophobicContact CD1-CZ3 4.14Å; L130-L194 HydrophobicContact CB-CB 4.45Å; L130-L194 HydrophobicContact CB-CD1 4.45Å; L130-L194 HydrophobicContact CB-CD2 4.17Å; L130-L194 HydrophobicContact CD2-CB 4.31Å; L130-L194 HydrophobicContact CD2-CD2 4.22Å
131I98.8Very high95.7Very high0 Ų042.6 Ų42.60%024%0.237CC..EExtended strand (participates in β ladder)trans-97.7129.7171.7-53.4170000108.8F98 V100 L115 I129 L151 L153 I174 E175 L176 F177F98-I131 HydrophobicContact CB-CG1 4.44Å; F98-I131 HydrophobicContact CD1-CG2 4.37Å; F98-I131 CarbonylContact O-C 3.25Å; F98-I131 VanDerWaalsContact O-CA 3.31Å; F98-I131 WeakPolarHBondContact O-CA 3.33Å; V100-I131 HydrophobicContact CG2-CG2 4.3Å; L115-I131 HydrophobicContact CD1-CD1 4.35Å; L115-I131 HydrophobicContact CD2-CD1 3.7Å; I129-I131 HydrophobicContact CG2-CG1 4.1Å; I131-L151 HydrophobicContact CG2-CD1 4.17Å; I131-L153 HydrophobicContact CD1-CD1 3.67Å; I131-L153 HydrophobicContact CD1-CD2 3.57Å; I131-L153 HydrophobicContact CD1-CG 4.3Å; I131-I174 HydrophobicContact CD1-CD1 4.18Å; I131-I174 HydrophobicContact CD1-CG1 4.22Å; I131-E175 PolarHBondContact N-O 2.98Å; I131-L176 HydrophobicContact CB-CB 4.38Å; I131-L176 HydrophobicContact CB-CD1 3.92Å; I131-L176 HydrophobicContact CG2-CD1 3.51Å; I131-L176 WeakPolarHBondContact O-CA 3.43Å; I131-F177 PolarHBondContact O-N 3.4Å
132L98.8Very high96.1Very high0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-113.5110.2176-68.6-178.6000110.8L41 V97 F98 M99 V100 L130 N134 F177 A190L41-L132 HydrophobicContact CD2-CD1 4.01Å; V97-L132 HydrophobicContact CG1-CD1 3.61Å; V97-L132 HydrophobicContact CG1-CG 3.94Å; F98-L132 PolarHBondContact O-N 3.42Å; M99-L132 HydrophobicContact CG-CB 4.25Å; M99-L132 HydrophobicContact CG-CD1 4.35Å; V100-L132 PolarHBondContact N-O 3.06Å; L130-L132 HydrophobicContact CD1-CD2 4.14Å; L130-L132 HydrophobicContact CD2-CD2 4.14Å; L130-L132 HydrophobicContact CD2-CG 4.29Å; L130-L132 HydrophobicContact CG-CD2 4.15Å; L130-L132 HydrophobicContact CG-CG 4.19Å; L132-N134 PolarHBondContact O-N 3.06Å; L132-F177 CarbonylContact C-O 3.6Å; L132-F177 WeakPolarHBondContact CA-O 3.43Å; L132-F177 HydrophobicContact CD2-CB 4.14Å; L132-A190 HydrophobicContact CD2-CB 3.57Å
133G98.8Very high96.5Very high0 Ų036.1 Ų36.10%021%0.214CC..EExtended strand (participates in β ladder)trans-78.289.5165.400000110L147 F177 M178 C179G133-L147 VanDerWaalsContact CA-CD2 3.47Å; G133-F177 PolarHBondContact N-O 3Å; G133-M178 CarbonylContact O-C 3.54Å; G133-M178 WeakPolarHBondContact O-CA 3.31Å; G133-C179 PolarHBondContact O-N 2.78Å
134N98.7Very high97Very high5 Ų534 Ų343%0.02720%0.204CC..EExtended strand (participates in β ladder)trans-86.7165.4-172.9-174.931.4000112.5A36 M99 V100 A102 L132 C179 I181A36-N134 PolarHBondContact O-ND2 3.23Å; M99-N134 HydrophobicContact CE-CB 3.97Å; V100-N134 PolarHBondContact O-N 3.19Å; A102-N134 WeakPolarHBondContact CB-O 3.35Å; A102-N134 PolarHBondContact N-O 2.84Å; L132-N134 PolarHBondContact O-N 3.06Å; N134-C179 CarbonylContact C-O 3.55Å; N134-C179 VanDerWaalsContact CA-O 3.29Å; N134-C179 WeakPolarHBondContact CA-O 3.36Å; N134-I181 WeakPolarHBondContact OD1-CG1 3.5Å; N134-I181 PolarHBondContact OD1-N 2.65Å; N134-I181 VanDerWaalsContact OD1-N 3.1Å
135K98.3Very high97.3Very high24 Ų2441.3 Ų41.310%0.10424%0.238CC..  trans71.431.4176.2-44.9-163.9-164.8169.60114.7N35 D101 D137 K138 A141 C179N35-K135 VanDerWaalsContact CG-NZ 3.28Å; N35-K135 PolarHBondContact ND2-NZ 3.04Å; N35-K135 WeakPolarHBondContact O-CE 3.3Å; N35-K135 PolarHBondContact O-NZ 2.83Å; N35-K135 PolarHBondContact OD1-NZ 2.82Å; D101-K135 WeakPolarHBondContact OD1-CD 3.27Å; D101-K135 VanDerWaalsContact OD2-CE 3.27Å; D101-K135 WeakPolarHBondContact OD2-CE 3.41Å; D101-K135 IonicContact OD2-NZ 3.82Å; D101-K135 PolarHBondContact OD2-NZ 2.85Å; K135-D137 WeakPolarHBondContact CA-OD1 3.42Å; K135-D137 PolarHBondContact O-N 3.1Å; K135-D137 VanDerWaalsContact O-N 3.1Å; K135-K138 HydrophobicContact CB-CD 4.31Å; K135-K138 HydrophobicContact CB-CG 4.44Å; K135-K138 HydrophobicContact CD-CD 4.41Å; K135-K138 PolarHBondContact O-N 3.19Å; K135-A141 WeakPolarHBondContact O-CB 3.29Å; K135-C179 PolarHBondContact N-O 2.99Å
136I98.5Very high97.7Very high67 Ų6742.2 Ų42.234%0.34424%0.236SC..THydrogen-bonded Turntrans-64.1-11.1173.370.6-176.6000113.9K138 M178 C179I136-K138 PolarHBondContact O-N 3.2Å; I136-M178 HydrophobicContact CD1-CB 4.45Å; I136-M178 HydrophobicContact CG2-CB 4.04Å; I136-M178 HydrophobicContact CG2-CE 3.78Å; I136-C179 WeakPolarHBondContact CG1-O 3.42Å; I136-C179 PolarHBondContact N-O 2.82Å
137D98Very high98.1Very high52 Ų5236 Ų3628%0.27821%0.208SC..THydrogen-bonded Turntrans-71.8-16.6172.459.1-77.8000113.5K135 S180 L182 K183K135-D137 WeakPolarHBondContact CA-OD1 3.42Å; K135-D137 PolarHBondContact O-N 3.1Å; K135-D137 VanDerWaalsContact O-N 3.1Å; D137-S180 VanDerWaalsContact CG-OG 3.22Å; D137-S180 VanDerWaalsContact OD1-CB 3.27Å; D137-S180 WeakPolarHBondContact OD1-CB 3.41Å; D137-S180 PolarHBondContact OD1-OG 2.96Å; D137-L182 WeakPolarHBondContact OD2-CD2 3.45Å; D137-K183 HydrophobicContact CB-CG 3.62Å
138K98.1Very high98.3Very high74 Ų7437.7 Ų37.732%0.32221%0.211SC..SBendtrans-78.8128.9176.9-70.6-173.8170.7-173.90110.8Y103 K135 I136 G140 A141Y103-K138 HydrophobicContact CD1-CD 3.73Å; Y103-K138 HydrophobicContact CD2-CB 3.58Å; Y103-K138 HydrophobicContact CD2-CD 3.86Å; Y103-K138 HydrophobicContact CD2-CG 4.4Å; Y103-K138 HydrophobicContact CE1-CD 4.33Å; Y103-K138 HydrophobicContact CE2-CB 4.19Å; Y103-K138 HydrophobicContact CE2-CD 4.44Å; Y103-K138 HydrophobicContact CG-CB 4Å; Y103-K138 HydrophobicContact CG-CD 3.46Å; Y103-K138 VanDerWaalsContact CG-CD 3.46Å; Y103-K138 HydrophobicContact CG-CG 4.41Å; K135-K138 HydrophobicContact CB-CD 4.31Å; K135-K138 HydrophobicContact CB-CG 4.44Å; K135-K138 HydrophobicContact CD-CD 4.41Å; K135-K138 PolarHBondContact O-N 3.19Å; I136-K138 PolarHBondContact O-N 3.2Å; K138-G140 PolarHBondContact O-N 3.26Å; K138-A141 WeakPolarHBondContact O-CB 3.45Å; K138-A141 PolarHBondContact O-N 3.04Å
139P97.6Very high98.3Very high122 Ų12245 Ų4579%0.79224%0.24SC*.THydrogen-bonded Turntrans-55.6124.8171-23.733.5000110.3Y103Y103-P139 VanDerWaalsContact CE2-O 3.31Å; Y103-P139 WeakPolarHBondContact CE2-O 3.38Å
140G97.5Very high98.3Very high50 Ų5048.5 Ų48.552%0.51526%0.255SS..THydrogen-bonded Turntrans87.79.3-17600000114.8R105 K138R105-G140 PolarHBondContact NH1-O 3.06Å; R105-G140 PolarHBondContact NH2-O 3.1Å; K138-G140 PolarHBondContact O-N 3.26Å
141A98.4Very high98.3Very high23 Ų2348.5 Ų48.519%0.1926%0.255CS..PPolyproline II helixtrans-55.8147.9165.700000111.8A102 K135 K138A102-A141 HydrophobicContact CB-CB 4.39Å; K135-A141 WeakPolarHBondContact O-CB 3.29Å; K138-A141 WeakPolarHBondContact O-CB 3.45Å; K138-A141 PolarHBondContact O-N 3.04Å
142A98.7Very high98.2Very high5 Ų550 Ų504%0.04127%0.271CS..PPolyproline II helixtrans-64146.9177.500000112.2A102 F108 E146 M178A102-A142 VanDerWaalsContact O-CB 3.3Å; A102-A142 WeakPolarHBondContact O-CB 3.32Å; A102-A142 PolarHBondContact O-N 3.1Å; F108-A142 HydrophobicContact CE2-CB 3.8Å; F108-A142 HydrophobicContact CZ-CB 3.59Å; A142-E146 WeakPolarHBondContact CA-OE2 3.34Å; A142-E146 HydrophobicContact CB-CB 4.3Å; A142-E146 HydrophobicContact CB-CG 4.14Å; A142-E146 VanDerWaalsContact CB-OE2 3.31Å; A142-E146 WeakPolarHBondContact CB-OE2 3.27Å; A142-M178 WeakPolarHBondContact O-CE 3.45Å
143S98.5Very high98.2Very high60 Ų6050 Ų5042%0.4227%0.271SS..PPolyproline II helixtrans-70.1163.1170.772.10000110.5E145 E146 L147S143-E145 VanDerWaalsContact C-N 3.26Å; S143-E145 PolarHBondContact O-N 3.4Å; S143-E146 PolarHBondContact O-N 3.03Å; S143-E146 WeakPolarHBondContact OG-CB 3.34Å; S143-E146 PolarHBondContact OG-N 2.78Å; S143-L147 WeakPolarHBondContact O-CB 3.45Å; S143-L147 PolarHBondContact O-N 2.77Å
144E98.4Very high97.8Very high54 Ų5456.7 Ų56.725%0.25230%0.302SS..Hα-helixtrans-58.7-42.3173-168.5175.6142.300111.3L147 R148 K160 L176 M178E144-L147 PolarHBondContact O-N 3.27Å; E144-R148 VanDerWaalsContact O-CG 3.32Å; E144-R148 WeakPolarHBondContact O-CG 3.35Å; E144-R148 PolarHBondContact O-N 2.86Å; E144-R148 IonicContact OE1-CZ 3.36Å; E144-R148 IonicContact OE1-NE 3.37Å; E144-R148 PolarHBondContact OE1-NE 3.17Å; E144-R148 VanDerWaalsContact OE1-NE 3.09Å; E144-R148 IonicContact OE1-NH2 2.68Å; E144-R148 PolarHBondContact OE1-NH2 3.35Å; E144-K160 WeakPolarHBondContact OE1-CE 3.48Å; E144-K160 IonicContact OE1-NZ 2.91Å; E144-K160 PolarHBondContact OE1-NZ 2.9Å; E144-K160 IonicContact OE2-NZ 2.79Å; E144-K160 PolarHBondContact OE2-NZ 2.96Å; E144-L176 HydrophobicContact CG-CD2 3.65Å; E144-L176 HydrophobicContact CG-CG 4.24Å; E144-M178 HydrophobicContact CB-CG 3.56Å; E144-M178 HydrophobicContact CB-SD 4.02Å; E144-M178 HydrophobicContact CG-CG 3.8Å; E144-M178 HydrophobicContact CG-SD 4.08Å
145E98Very high97.4Very high155 Ų15560.5 Ų60.572%0.72434%0.343SS*.Hα-helixtrans-61.8-46.4179.2-176.4-179.8-175.400111.9S143 L147 R148 Y149S143-E145 VanDerWaalsContact C-N 3.26Å; S143-E145 PolarHBondContact O-N 3.4Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.48Å; E145-R148 PolarHBondContact O-N 3.25Å; E145-Y149 PolarHBondContact O-N 3.31Å
146E98.2Very high97.2Very high53 Ų5362.5 Ų62.525%0.24835%0.354CS..Hα-helixtrans-59.8-46.8176.4-179.3176.4-166.200110.6R105 A142 S143 R148 Y149 F150R105-E146 WeakPolarHBondContact CD-OE1 3.42Å; R105-E146 IonicContact CZ-OE1 3.16Å; R105-E146 IonicContact CZ-OE2 3.83Å; R105-E146 VanDerWaalsContact NE-CD 3.31Å; R105-E146 IonicContact NE-OE1 2.68Å; R105-E146 PolarHBondContact NE-OE1 2.95Å; R105-E146 IonicContact NE-OE2 2.89Å; R105-E146 PolarHBondContact NE-OE2 3.29Å; R105-E146 IonicContact NH2-OE1 2.87Å; R105-E146 IonicContact NH2-OE2 3.14Å; R105-E146 PolarHBondContact NH2-OE2 2.84Å; A142-E146 WeakPolarHBondContact CA-OE2 3.34Å; A142-E146 HydrophobicContact CB-CB 4.3Å; A142-E146 HydrophobicContact CB-CG 4.14Å; A142-E146 VanDerWaalsContact CB-OE2 3.31Å; A142-E146 WeakPolarHBondContact CB-OE2 3.27Å; S143-E146 PolarHBondContact O-N 3.03Å; S143-E146 WeakPolarHBondContact OG-CB 3.34Å; S143-E146 PolarHBondContact OG-N 2.78Å; E146-R148 PolarHBondContact O-N 3.31Å; E146-Y149 WeakPolarHBondContact O-CB 3.4Å; E146-Y149 PolarHBondContact O-N 3.49Å; E146-F150 HydrophobicContact CG-CD2 3.71Å; E146-F150 HydrophobicContact CG-CE2 3.66Å; E146-F150 VanDerWaalsContact O-CD2 3.28Å; E146-F150 WeakPolarHBondContact O-CD2 3.33Å; E146-F150 PolarHBondContact O-N 2.95Å
147L98.2Very high97.1Very high0 Ų061.1 Ų61.10%035%0.349CS..Hα-helixtrans-65.6-39.4-179.9-16563.6000112V100 F108 G133 S143 E144 E145 Y149 F150 L151 L176 M178V100-L147 HydrophobicContact CG1-CD1 3.93Å; F108-L147 HydrophobicContact CD1-CD1 4.12Å; F108-L147 HydrophobicContact CD2-CD1 4.27Å; F108-L147 HydrophobicContact CE1-CD1 3.72Å; F108-L147 HydrophobicContact CE2-CD1 3.87Å; F108-L147 HydrophobicContact CG-CD1 4.38Å; F108-L147 HydrophobicContact CZ-CD1 3.59Å; G133-L147 VanDerWaalsContact CA-CD2 3.47Å; S143-L147 WeakPolarHBondContact O-CB 3.45Å; S143-L147 PolarHBondContact O-N 2.77Å; E144-L147 PolarHBondContact O-N 3.27Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.48Å; L147-Y149 VanDerWaalsContact C-N 3.33Å; L147-Y149 PolarHBondContact O-N 3.03Å; L147-F150 PolarHBondContact O-N 2.67Å; L147-L151 HydrophobicContact CD1-CD1 4Å; L147-L151 HydrophobicContact CD1-CG 4.2Å; L147-L151 HydrophobicContact CD2-CD1 4.4Å; L147-L151 HydrophobicContact CG-CD1 3.78Å; L147-L151 HydrophobicContact CG-CG 4.31Å; L147-L151 VanDerWaalsContact O-CB 3.3Å; L147-L151 WeakPolarHBondContact O-CB 3.24Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 2.76Å; L147-L176 HydrophobicContact CB-CD2 4.29Å; L147-L176 HydrophobicContact CD2-CD1 3.91Å; L147-L176 HydrophobicContact CD2-CD2 4.29Å; L147-L176 HydrophobicContact CG-CD2 4.43Å; L147-M178 HydrophobicContact CD2-CE 4.07Å; L147-M178 HydrophobicContact CD2-SD 3.9Å
148R98.4Very high97.1Very high45 Ų4560.1 Ų60.117%0.1734%0.344CS..Hα-helixtrans-59.1-43.6172.7-75.5179.9-178.1-84.1-5.1111.8E144 E145 E146 G152 L153 T157 E175 L176E144-R148 VanDerWaalsContact O-CG 3.32Å; E144-R148 WeakPolarHBondContact O-CG 3.35Å; E144-R148 PolarHBondContact O-N 2.86Å; E144-R148 IonicContact OE1-CZ 3.36Å; E144-R148 IonicContact OE1-NE 3.37Å; E144-R148 PolarHBondContact OE1-NE 3.17Å; E144-R148 VanDerWaalsContact OE1-NE 3.09Å; E144-R148 IonicContact OE1-NH2 2.68Å; E144-R148 PolarHBondContact OE1-NH2 3.35Å; E145-R148 PolarHBondContact O-N 3.25Å; E146-R148 PolarHBondContact O-N 3.31Å; R148-G152 PolarHBondContact O-N 2.93Å; R148-G152 VanDerWaalsContact O-N 3.12Å; R148-L153 HydrophobicContact CB-CB 4.28Å; R148-L153 HydrophobicContact CG-CB 4.29Å; R148-L153 HydrophobicContact CG-CD1 4.38Å; R148-L153 PolarHBondContact O-N 2.87Å; R148-T157 VanDerWaalsContact NH1-CG2 3.25Å; R148-T157 PolarHBondContact NH1-OG1 2.97Å; R148-E175 IonicContact CZ-OE1 3.93Å; R148-E175 IonicContact NH1-OE1 3.15Å; R148-E175 PolarHBondContact NH1-OE1 3.04Å; R148-E175 VanDerWaalsContact NH1-OE1 3.15Å; R148-E175 IonicContact NH2-OE1 2.68Å; R148-E175 PolarHBondContact NH2-OE1 3.4Å; R148-L176 HydrophobicContact CG-CD2 3.56Å
149Y97.9Very high97Very high156 Ų15657.7 Ų57.761%0.61234%0.341SS*.Hα-helixtrans-61.9-53.6178.5175.3-98.2000111.2E145 E146 L147 L151 G152E145-Y149 PolarHBondContact O-N 3.31Å; E146-Y149 WeakPolarHBondContact O-CB 3.4Å; E146-Y149 PolarHBondContact O-N 3.49Å; L147-Y149 VanDerWaalsContact C-N 3.33Å; L147-Y149 PolarHBondContact O-N 3.03Å; Y149-L151 PolarHBondContact O-N 3.3Å; Y149-G152 PolarHBondContact O-N 2.89Å; Y149-G152 VanDerWaalsContact O-N 3.1Å
150F98.1Very high96.9Very high73 Ų7355.4 Ų55.432%0.3232%0.318SS..Hα-helixtrans-66.9-34.5-176.5-81.9-72.5000113.9F108 K112 E146 L147 G152F108-F150 HydrophobicContact CB-CB 3.96Å; F108-F150 HydrophobicContact CB-CD1 4.48Å; F108-F150 HydrophobicContact CB-CG 4.26Å; F108-F150 HydrophobicContact CD2-CB 3.71Å; F108-F150 HydrophobicContact CD2-CD1 4.42Å; F108-F150 AromaticContact CD2-CD2 3.57Å; F108-F150 HydrophobicContact CD2-CD2 3.57Å; F108-F150 HydrophobicContact CD2-CE2 4.27Å; F108-F150 AromaticContact CD2-CG 3.66Å; F108-F150 HydrophobicContact CD2-CG 3.66Å; F108-F150 HydrophobicContact CE2-CD2 4.04Å; F108-F150 HydrophobicContact CG-CB 4.25Å; F108-F150 HydrophobicContact CG-CG 4.47Å; K112-F150 WeakPolarHBondContact CD-O 3.37Å; E146-F150 HydrophobicContact CG-CD2 3.71Å; E146-F150 HydrophobicContact CG-CE2 3.66Å; E146-F150 VanDerWaalsContact O-CD2 3.28Å; E146-F150 WeakPolarHBondContact O-CD2 3.33Å; E146-F150 PolarHBondContact O-N 2.95Å; L147-F150 PolarHBondContact O-N 2.67Å; F150-G152 VanDerWaalsContact C-N 3.27Å
151L98.4Very high96.8Very high1 Ų155 Ų551%0.00531%0.314CS..THydrogen-bonded Turntrans-82.1-3.5176.2-64.5178.9000113V100 K112 L115 I131 L147 Y149 L153V100-L151 HydrophobicContact CG2-CD1 3.96Å; K112-L151 HydrophobicContact CB-CD2 4.15Å; L115-L151 HydrophobicContact CD2-CB 4.48Å; I131-L151 HydrophobicContact CG2-CD1 4.17Å; L147-L151 HydrophobicContact CD1-CD1 4Å; L147-L151 HydrophobicContact CD1-CG 4.2Å; L147-L151 HydrophobicContact CD2-CD1 4.4Å; L147-L151 HydrophobicContact CG-CD1 3.78Å; L147-L151 HydrophobicContact CG-CG 4.31Å; L147-L151 VanDerWaalsContact O-CB 3.3Å; L147-L151 WeakPolarHBondContact O-CB 3.24Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 2.76Å; Y149-L151 PolarHBondContact O-N 3.3Å; L151-L153 HydrophobicContact CB-CD1 4.05Å; L151-L153 HydrophobicContact CB-CD2 4.02Å; L151-L153 HydrophobicContact CB-CG 3.69Å; L151-L153 HydrophobicContact CD1-CD1 4.14Å
152G97.7Very high96.5Very high32 Ų3259.6 Ų59.633%0.3334%0.34SS..THydrogen-bonded Turntrans67.833.4179.900000113.7R148 Y149 F150 Q154R148-G152 PolarHBondContact O-N 2.93Å; R148-G152 VanDerWaalsContact O-N 3.12Å; Y149-G152 PolarHBondContact O-N 2.89Å; Y149-G152 VanDerWaalsContact O-N 3.1Å; F150-G152 VanDerWaalsContact C-N 3.27Å; G152-Q154 VanDerWaalsContact C-N 3.3Å; G152-Q154 PolarHBondContact O-N 3.45Å
153L97.3Very high96.3Very high0 Ų061.6 Ų61.60%035%0.349CS..  trans-850.2-173.9-54.6-177.7000114.1L115 I131 R148 L151 G155 I156 T157 L176L115-L153 HydrophobicContact CD2-CD2 3.84Å; I131-L153 HydrophobicContact CD1-CD1 3.67Å; I131-L153 HydrophobicContact CD1-CD2 3.57Å; I131-L153 HydrophobicContact CD1-CG 4.3Å; R148-L153 HydrophobicContact CB-CB 4.28Å; R148-L153 HydrophobicContact CG-CB 4.29Å; R148-L153 HydrophobicContact CG-CD1 4.38Å; R148-L153 PolarHBondContact O-N 2.87Å; L151-L153 HydrophobicContact CB-CD1 4.05Å; L151-L153 HydrophobicContact CB-CD2 4.02Å; L151-L153 HydrophobicContact CB-CG 3.69Å; L151-L153 HydrophobicContact CD1-CD1 4.14Å; L153-G155 PolarHBondContact O-N 3.47Å; L153-I156 HydrophobicContact CB-CG1 4.36Å; L153-I156 HydrophobicContact CD2-CD1 3.66Å; L153-I156 HydrophobicContact CD2-CG1 4.3Å; L153-I156 PolarHBondContact O-N 3.09Å; L153-T157 HydrophobicContact CB-CG2 4.08Å; L153-L176 HydrophobicContact CD1-CB 3.95Å; L153-L176 HydrophobicContact CD1-CD2 4.1Å; L153-L176 HydrophobicContact CD1-CG 4.46Å
154Q91.3Very high95.9Very high140 Ų14063.6 Ų63.665%0.65436%0.355SS*.THydrogen-bonded Turntrans-65.8120.8-179.9-68.7174.3-12.700110.1G152 I156G152-Q154 VanDerWaalsContact C-N 3.3Å; G152-Q154 PolarHBondContact O-N 3.45Å; Q154-I156 VanDerWaalsContact C-N 3.28Å; Q154-I156 PolarHBondContact O-N 3.24Å
155G90.3Very high95.6Very high85 Ų8565.1 Ų65.188%0.87636%0.361SS*.THydrogen-bonded Turntrans80.3-3.3178.100000115.8L153L153-G155 PolarHBondContact O-N 3.47Å
156I94.1Very high95.3Very high66 Ų6663.2 Ų63.234%0.33837%0.365SS..THydrogen-bonded Turntrans-100.9-26.8176.376.2177.9000112.8L119 L153 Q154 I174L119-I156 HydrophobicContact CD1-CD1 4.22Å; L153-I156 HydrophobicContact CB-CG1 4.36Å; L153-I156 HydrophobicContact CD2-CD1 3.66Å; L153-I156 HydrophobicContact CD2-CG1 4.3Å; L153-I156 PolarHBondContact O-N 3.09Å; Q154-I156 VanDerWaalsContact C-N 3.28Å; Q154-I156 PolarHBondContact O-N 3.24Å; I156-I174 HydrophobicContact CD1-CD1 4.24Å; I156-I174 WeakPolarHBondContact O-CG2 3.5Å
157T96.9Very high95Very high38 Ų3866.6 Ų66.623%0.23338%0.381CS..  trans-70.8141.7-179.855.90000112.3R148 L153 I174 E175R148-T157 VanDerWaalsContact NH1-CG2 3.25Å; R148-T157 PolarHBondContact NH1-OG1 2.97Å; L153-T157 HydrophobicContact CB-CG2 4.08Å; T157-I174 CarbonylContact C-O 3.58Å; T157-I174 VanDerWaalsContact CA-O 3.23Å; T157-I174 WeakPolarHBondContact CA-O 3.46Å; T157-E175 WeakPolarHBondContact CB-OE1 3.27Å; T157-E175 WeakPolarHBondContact CB-OE2 3.37Å
158T96.6Very high94.8Very high30 Ų3067.1 Ų67.118%0.18438%0.383CS..  trans-94.8-9.4-167.256.70000113.8I163 I168 I174T158-I163 WeakPolarHBondContact O-CD1 3.11Å; T158-I168 HydrophobicContact CG2-CD1 4.34Å; T158-I168 HydrophobicContact CG2-CG1 4.43Å; T158-I168 HydrophobicContact CG2-CG2 3.56Å; T158-I174 HydrophobicContact CG2-CG2 4.13Å; T158-I174 PolarHBondContact N-O 2.68Å; T158-I174 PolarHBondContact OG1-N 2.79Å; T158-I174 VanDerWaalsContact OG1-N 3.16Å; T158-I174 PolarHBondContact OG1-O 2.91Å
159G95.8Very high94.3Very high24 Ų2471.6 Ų71.625%0.24742%0.418CS..  trans109.4140.2-177.500000112.3G161 E175 W193G159-G161 VanDerWaalsContact C-N 3.33Å; G159-E175 WeakPolarHBondContact CA-OE2 3.13Å; G159-E175 PolarHBondContact N-OE2 2.95Å; G159-W193 PolarHBondContact O-NE1 2.66Å
160K96.6Very high93.9Very high73 Ų7367.9 Ų67.932%0.31742%0.415SS..SBendtrans-75.9-16.7177.2-66.7-177.4176.6176.90114.2E144 E175 L176 F177E144-K160 WeakPolarHBondContact OE1-CE 3.48Å; E144-K160 IonicContact OE1-NZ 2.91Å; E144-K160 PolarHBondContact OE1-NZ 2.9Å; E144-K160 IonicContact OE2-NZ 2.79Å; E144-K160 PolarHBondContact OE2-NZ 2.96Å; K160-E175 HydrophobicContact CB-CG 4.39Å; K160-E175 HydrophobicContact CG-CG 3.48Å; K160-E175 VanDerWaalsContact CG-CG 3.48Å; K160-E175 PolarHBondContact N-OE2 2.89Å; K160-L176 WeakPolarHBondContact CE-O 3.19Å; K160-L176 PolarHBondContact NZ-O 3.15Å; K160-F177 HydrophobicContact CB-CE1 4.28Å; K160-F177 HydrophobicContact CB-CZ 3.87Å; K160-F177 HydrophobicContact CD-CD1 4.31Å; K160-F177 HydrophobicContact CD-CE1 3.81Å; K160-F177 HydrophobicContact CD-CZ 4.02Å; K160-F177 HydrophobicContact CG-CE1 3.95Å; K160-F177 HydrophobicContact CG-CE2 4.13Å; K160-F177 HydrophobicContact CG-CZ 3.61Å
161G94.9Very high93.5Very high42 Ų4265.5 Ų65.543%0.43341%0.412SS..SBendtrans-71.9-177.8-179.400000113.3G159 I163G159-G161 VanDerWaalsContact C-N 3.33Å; G161-I163 PolarHBondContact O-N 3.42Å
162T92.9Very high93.3Very high120 Ų12066.9 Ų66.974%0.73642%0.417SS*.  trans-80105.9172.5-62.30000110.4Q196T162-Q196 VanDerWaalsContact CG2-OE1 3.32Å; T162-Q196 PolarHBondContact OG1-OE1 2.88Å
163I93Very high93.3Very high46 Ų4665.3 Ų65.324%0.23640%0.401CS..  trans-125.6127.4-176.2-60.4172.6000107.7T158 G161 Q167 I168 Y197T158-I163 WeakPolarHBondContact O-CD1 3.11Å; G161-I163 PolarHBondContact O-N 3.42Å; I163-Q167 HydrophobicContact CG2-CB 4.15Å; I163-I168 HydrophobicContact CG2-CD1 4.4Å; I163-I168 HydrophobicContact CG2-CG1 3.9Å; I163-Y197 WeakPolarHBondContact O-CE1 3.39Å; I163-Y197 PolarHBondContact O-OH 3.44Å
164N91.8Very high93.4Very high102 Ų10265.7 Ų65.755%0.54540%0.403SS..  trans-69.1139.9177.6-75.6-63.3000109.9S166 Q167N164-S166 PolarHBondContact O-N 2.68Å; N164-S166 VanDerWaalsContact O-N 3.08Å; N164-Q167 HydrophobicContact CB-CG 4.16Å; N164-Q167 WeakPolarHBondContact O-CB 3.17Å; N164-Q167 PolarHBondContact O-N 2.66Å
165K91.3Very high93.7Very high87 Ų8759.2 Ų59.238%0.37837%0.372SS..G310 helixtrans-54.6-33179.5-168.2173.6-175.7171.70112.9H126 Q167 I168 G171 P173 Y197H126-K165 PolarHBondContact O-NZ 2.94Å; K165-Q167 PolarHBondContact O-N 2.84Å; K165-I168 PolarHBondContact O-N 3.36Å; K165-G171 VanDerWaalsContact CE-O 3.23Å; K165-G171 WeakPolarHBondContact CE-O 3.36Å; K165-P173 HydrophobicContact CG-CG 4.45Å; K165-Y197 HydrophobicContact CB-CD1 4.39Å
166S91.7Very high94.1Very high114 Ų11455.1 Ų55.180%0.79733%0.331SS*.G310 helixtrans-66.5-18175.956.70000114.7N164N164-S166 PolarHBondContact O-N 2.68Å; N164-S166 VanDerWaalsContact O-N 3.08Å
167Q92.6Very high94.3Very high125 Ų12552.2 Ų52.258%0.58432%0.315SS*.G310 helixtrans-90.8-8178.3-62.6174.1-42.700112.5I163 N164 K165 P169I163-Q167 HydrophobicContact CG2-CB 4.15Å; N164-Q167 HydrophobicContact CB-CG 4.16Å; N164-Q167 WeakPolarHBondContact O-CB 3.17Å; N164-Q167 PolarHBondContact O-N 2.66Å; K165-Q167 PolarHBondContact O-N 2.84Å; Q167-P169 WeakPolarHBondContact O-CD 3.33Å
168I92.6Very high94.4Very high10 Ų1051.9 Ų51.95%0.05131%0.311CS..  trans-88.2112.9-178.4-62.7174.2000108.4T158 I163 K165 S170 G171 P173 Y197T158-I168 HydrophobicContact CG2-CD1 4.34Å; T158-I168 HydrophobicContact CG2-CG1 4.43Å; T158-I168 HydrophobicContact CG2-CG2 3.56Å; I163-I168 HydrophobicContact CG2-CD1 4.4Å; I163-I168 HydrophobicContact CG2-CG1 3.9Å; K165-I168 PolarHBondContact O-N 3.36Å; I168-S170 VanDerWaalsContact C-N 3.29Å; I168-S170 WeakPolarHBondContact CG2-OG 3.27Å; I168-S170 PolarHBondContact O-N 3.3Å; I168-G171 WeakPolarHBondContact O-CA 3.31Å; I168-G171 PolarHBondContact O-N 3.34Å; I168-P173 HydrophobicContact CD1-CB 3.84Å; I168-P173 HydrophobicContact CD1-CG 3.7Å; I168-Y197 HydrophobicContact CD1-CE1 4.07Å
169P89.3Confident94.5Very high139 Ų13950.4 Ų50.490%0.90330%0.303SS*.THydrogen-bonded Turntrans-61.4-34-173.4-25.935.9000114.2Q167 G171Q167-P169 WeakPolarHBondContact O-CD 3.33Å; P169-G171 PolarHBondContact O-N 3.18Å
170S88.9Confident94.6Very high78 Ų7849.3 Ų49.355%0.54529%0.291SS..THydrogen-bonded Turntrans-74.4-12.4175.861.70000113.3I168 R172I168-S170 VanDerWaalsContact C-N 3.29Å; I168-S170 WeakPolarHBondContact CG2-OG 3.27Å; I168-S170 PolarHBondContact O-N 3.3Å; S170-R172 PolarHBondContact O-N 3.04Å; S170-R172 VanDerWaalsContact O-N 3.1Å; S170-R172 PolarHBondContact OG-N 2.79Å; S170-R172 PolarHBondContact OG-O 3.44Å
171G90.1Very high94.6Very high24 Ų2445.8 Ų45.825%0.24728%0.276CS..SBendtrans68.3-5.1-169.700000115.1K165 I168 P169K165-G171 VanDerWaalsContact CE-O 3.23Å; K165-G171 WeakPolarHBondContact CE-O 3.36Å; I168-G171 WeakPolarHBondContact O-CA 3.31Å; I168-G171 PolarHBondContact O-N 3.34Å; P169-G171 PolarHBondContact O-N 3.18Å
172R94.7Very high94.5Very high29 Ų2948 Ų4811%0.10928%0.277CS..  trans-114.6110.3-178-172.3-169.5-87.4158.3-11.4110.5L119 I124 A125 A127 S170 I174L119-R172 PolarHBondContact O-NH1 3.32Å; L119-R172 PolarHBondContact O-NH2 2.87Å; I124-R172 PolarHBondContact O-NE 2.87Å; I124-R172 VanDerWaalsContact O-NE 3.1Å; I124-R172 PolarHBondContact O-NH2 3.18Å; A125-R172 PolarHBondContact O-NE 2.89Å; A127-R172 VanDerWaalsContact O-CG 3.24Å; A127-R172 WeakPolarHBondContact O-CG 3.07Å; S170-R172 PolarHBondContact O-N 3.04Å; S170-R172 VanDerWaalsContact O-N 3.1Å; S170-R172 PolarHBondContact OG-N 2.79Å; S170-R172 PolarHBondContact OG-O 3.44Å; R172-I174 PolarHBondContact O-N 3.47Å
173P97.4Very high94.6Very high0 Ų048 Ų480%027%0.267CS..  trans-62130.6168.6-14.726.4000110.9P128 I129 K165 I168 W193 Y197P128-P173 CarbonylContact C-O 3.52Å; P128-P173 VanDerWaalsContact CA-O 3.3Å; P128-P173 WeakPolarHBondContact CA-O 2.91Å; P128-P173 HydrophobicContact CB-CB 3.99Å; P128-P173 HydrophobicContact CB-CG 4.02Å; I129-P173 PolarHBondContact N-O 2.88Å; K165-P173 HydrophobicContact CG-CG 4.45Å; I168-P173 HydrophobicContact CD1-CB 3.84Å; I168-P173 HydrophobicContact CD1-CG 3.7Å; P173-W193 HydrophobicContact CB-CH2 4.12Å; P173-W193 HydrophobicContact CB-CZ2 3.97Å; P173-Y197 HydrophobicContact CB-CD1 3.99Å; P173-Y197 HydrophobicContact CB-CD2 3.75Å; P173-Y197 HydrophobicContact CB-CE1 3.86Å; P173-Y197 HydrophobicContact CB-CE2 3.64Å; P173-Y197 HydrophobicContact CB-CG 3.92Å; P173-Y197 HydrophobicContact CG-CD1 3.38Å; P173-Y197 HydrophobicContact CG-CD2 3.93Å; P173-Y197 HydrophobicContact CG-CE1 3.61Å; P173-Y197 HydrophobicContact CG-CE2 4.15Å; P173-Y197 HydrophobicContact CG-CG 3.54Å
174I98Very high94.6Very high7 Ų751 Ų514%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-146.5130.8174.7-177.6171000110.6L119 I129 I131 I156 T157 T158 R172L119-I174 HydrophobicContact CD2-CD1 3.6Å; I129-I174 HydrophobicContact CB-CB 4.35Å; I129-I174 HydrophobicContact CB-CD1 4.21Å; I129-I174 HydrophobicContact CB-CG1 4.03Å; I129-I174 HydrophobicContact CG2-CD1 4.12Å; I129-I174 HydrophobicContact CG2-CG1 4.13Å; I129-I174 VanDerWaalsContact O-CA 3.28Å; I129-I174 WeakPolarHBondContact O-CA 3.26Å; I131-I174 HydrophobicContact CD1-CD1 4.18Å; I131-I174 HydrophobicContact CD1-CG1 4.22Å; I156-I174 HydrophobicContact CD1-CD1 4.24Å; I156-I174 WeakPolarHBondContact O-CG2 3.5Å; T157-I174 CarbonylContact C-O 3.58Å; T157-I174 VanDerWaalsContact CA-O 3.23Å; T157-I174 WeakPolarHBondContact CA-O 3.46Å; T158-I174 HydrophobicContact CG2-CG2 4.13Å; T158-I174 PolarHBondContact N-O 2.68Å; T158-I174 PolarHBondContact OG1-N 2.79Å; T158-I174 VanDerWaalsContact OG1-N 3.16Å; T158-I174 PolarHBondContact OG1-O 2.91Å; R172-I174 PolarHBondContact O-N 3.47Å
175E98.3Very high94.7Very high4 Ų451.2 Ų51.22%0.01927%0.273CS..EExtended strand (participates in β ladder)trans-154.3152.5-179.3-162.350-9700113.1I129 I131 R148 T157 G159 K160 F177 W193I129-E175 PolarHBondContact O-N 2.58Å; I131-E175 PolarHBondContact N-O 2.98Å; R148-E175 IonicContact CZ-OE1 3.93Å; R148-E175 IonicContact NH1-OE1 3.15Å; R148-E175 PolarHBondContact NH1-OE1 3.04Å; R148-E175 VanDerWaalsContact NH1-OE1 3.15Å; R148-E175 IonicContact NH2-OE1 2.68Å; R148-E175 PolarHBondContact NH2-OE1 3.4Å; T157-E175 WeakPolarHBondContact CB-OE1 3.27Å; T157-E175 WeakPolarHBondContact CB-OE2 3.37Å; G159-E175 WeakPolarHBondContact CA-OE2 3.13Å; G159-E175 PolarHBondContact N-OE2 2.95Å; K160-E175 HydrophobicContact CB-CG 4.39Å; K160-E175 HydrophobicContact CG-CG 3.48Å; K160-E175 VanDerWaalsContact CG-CG 3.48Å; K160-E175 PolarHBondContact N-OE2 2.89Å; E175-F177 HydrophobicContact CB-CE2 4.01Å; E175-F177 HydrophobicContact CG-CD2 4.3Å; E175-F177 HydrophobicContact CG-CE2 3.71Å; E175-F177 HydrophobicContact CG-CZ 4.35Å; E175-W193 HydrophobicContact CB-CD2 4.03Å; E175-W193 VanDerWaalsContact CB-CE2 3.44Å; E175-W193 HydrophobicContact CB-CE3 4.37Å; E175-W193 HydrophobicContact CB-CH2 3.77Å; E175-W193 HydrophobicContact CB-CZ2 3.32Å; E175-W193 HydrophobicContact CB-CZ3 4.27Å; E175-W193 HydrophobicContact CG-CZ2 4.5Å
176L98.7Very high95Very high0 Ų048.3 Ų48.30%027%0.268CS..EExtended strand (participates in β ladder)trans-104.3130176.217369.3000111.1I131 E144 L147 R148 L153 K160 M178I131-L176 HydrophobicContact CB-CB 4.38Å; I131-L176 HydrophobicContact CB-CD1 3.92Å; I131-L176 HydrophobicContact CG2-CD1 3.51Å; I131-L176 WeakPolarHBondContact O-CA 3.43Å; E144-L176 HydrophobicContact CG-CD2 3.65Å; E144-L176 HydrophobicContact CG-CG 4.24Å; L147-L176 HydrophobicContact CB-CD2 4.29Å; L147-L176 HydrophobicContact CD2-CD1 3.91Å; L147-L176 HydrophobicContact CD2-CD2 4.29Å; L147-L176 HydrophobicContact CG-CD2 4.43Å; R148-L176 HydrophobicContact CG-CD2 3.56Å; L153-L176 HydrophobicContact CD1-CB 3.95Å; L153-L176 HydrophobicContact CD1-CD2 4.1Å; L153-L176 HydrophobicContact CD1-CG 4.46Å; K160-L176 WeakPolarHBondContact CE-O 3.19Å; K160-L176 PolarHBondContact NZ-O 3.15Å; L176-M178 HydrophobicContact CD1-SD 4.33Å; L176-M178 HydrophobicContact CD2-SD 4.26Å; L176-M178 HydrophobicContact CG-SD 4.35Å
177F98.8Very high95.2Very high5 Ų543.3 Ų43.32%0.02223%0.232CC..EExtended strand (participates in β ladder)trans-123.2139167.8-70.1-100.6000110.8L130 I131 L132 G133 K160 E175 E189 A190 W193L130-F177 HydrophobicContact CD1-CD2 3.53Å; L130-F177 HydrophobicContact CD1-CE2 4.15Å; L130-F177 HydrophobicContact CD1-CG 4.4Å; I131-F177 PolarHBondContact O-N 3.4Å; L132-F177 CarbonylContact C-O 3.6Å; L132-F177 WeakPolarHBondContact CA-O 3.43Å; L132-F177 HydrophobicContact CD2-CB 4.14Å; G133-F177 PolarHBondContact N-O 3Å; K160-F177 HydrophobicContact CB-CE1 4.28Å; K160-F177 HydrophobicContact CB-CZ 3.87Å; K160-F177 HydrophobicContact CD-CD1 4.31Å; K160-F177 HydrophobicContact CD-CE1 3.81Å; K160-F177 HydrophobicContact CD-CZ 4.02Å; K160-F177 HydrophobicContact CG-CE1 3.95Å; K160-F177 HydrophobicContact CG-CE2 4.13Å; K160-F177 HydrophobicContact CG-CZ 3.61Å; E175-F177 HydrophobicContact CB-CE2 4.01Å; E175-F177 HydrophobicContact CG-CD2 4.3Å; E175-F177 HydrophobicContact CG-CE2 3.71Å; E175-F177 HydrophobicContact CG-CZ 4.35Å; F177-E189 HydrophobicContact CD1-CG 4.36Å; F177-E189 HydrophobicContact CE1-CG 3.89Å; F177-A190 HydrophobicContact CB-CB 3.51Å; F177-A190 HydrophobicContact CD1-CB 4.02Å; F177-A190 HydrophobicContact CD2-CB 3.8Å; F177-A190 HydrophobicContact CG-CB 3.5Å; F177-W193 HydrophobicContact CE2-CB 3.74Å; F177-W193 AromaticContact CE2-CD2 3.86Å; F177-W193 HydrophobicContact CE2-CD2 3.86Å; F177-W193 HydrophobicContact CE2-CE3 4.18Å; F177-W193 AromaticContact CE2-CG 3.65Å; F177-W193 HydrophobicContact CE2-CG 3.65Å; F177-W193 HydrophobicContact CZ-CB 3.56Å; F177-W193 HydrophobicContact CZ-CD2 4.44Å; F177-W193 AromaticContact CZ-CG 3.75Å; F177-W193 HydrophobicContact CZ-CG 3.75Å
178M98.8Very high95.4Very high30 Ų3037.4 Ų37.415%0.14820%0.204CC..EExtended strand (participates in β ladder)trans-88.9137174.2-58.6-53-71.800110A102 G133 I136 A142 E144 L147 L176A102-M178 HydrophobicContact CB-CE 3.9Å; G133-M178 CarbonylContact O-C 3.54Å; G133-M178 WeakPolarHBondContact O-CA 3.31Å; I136-M178 HydrophobicContact CD1-CB 4.45Å; I136-M178 HydrophobicContact CG2-CB 4.04Å; I136-M178 HydrophobicContact CG2-CE 3.78Å; A142-M178 WeakPolarHBondContact O-CE 3.45Å; E144-M178 HydrophobicContact CB-CG 3.56Å; E144-M178 HydrophobicContact CB-SD 4.02Å; E144-M178 HydrophobicContact CG-CG 3.8Å; E144-M178 HydrophobicContact CG-SD 4.08Å; L147-M178 HydrophobicContact CD2-CE 4.07Å; L147-M178 HydrophobicContact CD2-SD 3.9Å; L176-M178 HydrophobicContact CD1-SD 4.33Å; L176-M178 HydrophobicContact CD2-SD 4.26Å; L176-M178 HydrophobicContact CG-SD 4.35Å
179C98.6Very high95.6Very high0 Ų042.9 Ų42.90%023%0.229CC..  trans-149.1163.2-174.973.60000113.8G133 N134 K135 I136 Q185G133-C179 PolarHBondContact O-N 2.78Å; N134-C179 CarbonylContact C-O 3.55Å; N134-C179 VanDerWaalsContact CA-O 3.29Å; N134-C179 WeakPolarHBondContact CA-O 3.36Å; K135-C179 PolarHBondContact N-O 2.99Å; I136-C179 WeakPolarHBondContact CG1-O 3.42Å; I136-C179 PolarHBondContact N-O 2.82Å; C179-Q185 WeakPolarHBondContact CA-O 3.48Å; C179-Q185 WeakPolarHBondContact CB-O 3.39Å
180S97.8Very high96Very high0 Ų036.2 Ų36.20%019%0.186CC..BIsolated β-bridgetrans-127.8105.7161.3174.10000107.7D137 L182 K183 R184 Q185D137-S180 VanDerWaalsContact CG-OG 3.22Å; D137-S180 VanDerWaalsContact OD1-CB 3.27Å; D137-S180 WeakPolarHBondContact OD1-CB 3.41Å; D137-S180 PolarHBondContact OD1-OG 2.96Å; S180-L182 PolarHBondContact O-N 3.24Å; S180-K183 PolarHBondContact O-N 3.01Å; S180-K183 WeakPolarHBondContact OG-CB 3.42Å; S180-K183 WeakPolarHBondContact OG-CG 3.43Å; S180-K183 PolarHBondContact OG-N 2.95Å; S180-R184 PolarHBondContact O-N 3.08Å; S180-Q185 PolarHBondContact N-O 3.35Å; S180-Q185 PolarHBondContact O-N 3.4Å
181I95.6Very high96.4Very high0 Ų032.5 Ų32.50%016%0.16CC..THydrogen-bonded Turntrans-61-38173.3-56.9-44000110T40 L41 R44 M99 N134 K183 R184 Y187T40-I181 HydrophobicContact CG2-CG2 3.91Å; L41-I181 HydrophobicContact CB-CG1 4.28Å; L41-I181 HydrophobicContact CB-CG2 4.3Å; L41-I181 HydrophobicContact CD1-CD1 3.86Å; L41-I181 HydrophobicContact CD1-CG1 4.48Å; R44-I181 HydrophobicContact CB-CG2 4.13Å; R44-I181 HydrophobicContact CG-CG2 4.21Å; M99-I181 HydrophobicContact CE-CD1 4.5Å; M99-I181 HydrophobicContact CE-CG1 3.88Å; N134-I181 WeakPolarHBondContact OD1-CG1 3.5Å; N134-I181 PolarHBondContact OD1-N 2.65Å; N134-I181 VanDerWaalsContact OD1-N 3.1Å; I181-K183 PolarHBondContact O-N 3.06Å; I181-R184 PolarHBondContact O-N 3.3Å; I181-Y187 HydrophobicContact CD1-CD1 3.33Å; I181-Y187 HydrophobicContact CD1-CD2 4.44Å; I181-Y187 HydrophobicContact CD1-CE1 3.98Å; I181-Y187 HydrophobicContact CD1-CG 3.59Å
182L93.5Very high96.7Very high89 Ų8934.5 Ų34.547%0.46617%0.166SC..THydrogen-bonded Turntrans-59.8-44.9177.9-170.978.1000111.8M50 D137 S180M50-L182 HydrophobicContact CE-CD1 3.56Å; M50-L182 HydrophobicContact CE-CG 4.12Å; M50-L182 WeakPolarHBondContact CE-O 3.25Å; M50-L182 HydrophobicContact SD-CD1 3.95Å; D137-L182 WeakPolarHBondContact OD2-CD2 3.45Å; S180-L182 PolarHBondContact O-N 3.24Å
183K94.5Very high96.9Very high120 Ų12033.3 Ų33.352%0.52216%0.161SC..THydrogen-bonded Turntrans-89.41.9-178.3-59.6-63-174.6177.10114.3D137 S180 I181 Q185D137-K183 HydrophobicContact CB-CG 3.62Å; S180-K183 PolarHBondContact O-N 3.01Å; S180-K183 WeakPolarHBondContact OG-CB 3.42Å; S180-K183 WeakPolarHBondContact OG-CG 3.43Å; S180-K183 PolarHBondContact OG-N 2.95Å; I181-K183 PolarHBondContact O-N 3.06Å; K183-Q185 HydrophobicContact CB-CG 4.2Å
184R92.7Very high96.9Very high107 Ų10733.3 Ų33.340%0.40416%0.161SC..THydrogen-bonded Turntrans65.732.5-177.6-49.2-178.5176.2-150.2-6.3114R44 D48 S180 I181R44-R184 VanDerWaalsContact NH2-NH1 3.11Å; D48-R184 PolarHBondContact O-NH2 2.87Å; D48-R184 IonicContact OD1-CZ 3.23Å; D48-R184 IonicContact OD1-NH1 3.09Å; D48-R184 PolarHBondContact OD1-NH1 3.45Å; D48-R184 IonicContact OD1-NH2 3.81Å; D48-R184 PolarHBondContact OD1-NH2 2.91Å; D48-R184 IonicContact OD2-CZ 2.67Å; D48-R184 IonicContact OD2-NH1 3.98Å; D48-R184 PolarHBondContact OD2-NH1 3.33Å; D48-R184 IonicContact OD2-NH2 3.28Å; S180-R184 PolarHBondContact O-N 3.08Å; I181-R184 PolarHBondContact O-N 3.3Å
185Q95.6Very high96.8Very high108 Ų10833.2 Ų33.251%0.50516%0.161SC..BIsolated β-bridgetrans-120.2142.4-169.5-71.3172.3-4.700112.5C179 S180 K183 Y187C179-Q185 WeakPolarHBondContact CA-O 3.48Å; C179-Q185 WeakPolarHBondContact CB-O 3.39Å; S180-Q185 PolarHBondContact N-O 3.35Å; S180-Q185 PolarHBondContact O-N 3.4Å; K183-Q185 HydrophobicContact CB-CG 4.2Å; Q185-Y187 VanDerWaalsContact C-N 3.26Å; Q185-Y187 PolarHBondContact O-N 2.7Å
186G96.8Very high96.7Very high26 Ų2636.8 Ų36.827%0.26818%0.178SC..SBendtrans80-40.3169.900000115.9G188 E189 A190G186-G188 VanDerWaalsContact C-N 3.28Å; G186-G188 PolarHBondContact O-N 3.09Å; G186-E189 PolarHBondContact O-N 3.2Å; G186-A190 PolarHBondContact O-N 2.89Å
187Y96.7Very high96.5Very high9 Ų938 Ų384%0.03518%0.182CC..Hα-helixtrans-68.7-24.6-175.768.6-90000113.5Y18 L19 L41 R44 I181 Q185 A190 F191Y18-Y187 AromaticContact CE1-CE2 3.98Å; Y18-Y187 HydrophobicContact CE1-CE2 3.98Å; L19-Y187 HydrophobicContact CD2-CD2 4.11Å; L19-Y187 HydrophobicContact CD2-CE2 4.16Å; L41-Y187 HydrophobicContact CD1-CD2 4.14Å; L41-Y187 HydrophobicContact CD1-CE2 4.42Å; R44-Y187 WeakPolarHBondContact CG-OH 3.36Å; R44-Y187 PolarHBondContact NE-OH 2.96Å; I181-Y187 HydrophobicContact CD1-CD1 3.33Å; I181-Y187 HydrophobicContact CD1-CD2 4.44Å; I181-Y187 HydrophobicContact CD1-CE1 3.98Å; I181-Y187 HydrophobicContact CD1-CG 3.59Å; Q185-Y187 VanDerWaalsContact C-N 3.26Å; Q185-Y187 PolarHBondContact O-N 2.7Å; Y187-A190 WeakPolarHBondContact O-CB 3.21Å; Y187-A190 PolarHBondContact O-N 2.87Å; Y187-F191 HydrophobicContact CD2-CD2 4.16Å; Y187-F191 HydrophobicContact CD2-CE2 4.35Å; Y187-F191 VanDerWaalsContact O-CD2 3.25Å; Y187-F191 WeakPolarHBondContact O-CD2 3.28Å; Y187-F191 PolarHBondContact O-N 2.93Å
188G95.9Very high96.3Very high1 Ų138.1 Ų38.11%0.0118%0.183CC..Hα-helixtrans-59.8-51.1175.600000112.1G186 A190 F191 N192G186-G188 VanDerWaalsContact C-N 3.28Å; G186-G188 PolarHBondContact O-N 3.09Å; G188-A190 VanDerWaalsContact C-N 3.27Å; G188-A190 PolarHBondContact O-N 3.26Å; G188-F191 PolarHBondContact O-N 3.12Å; G188-N192 PolarHBondContact O-N 2.88Å; G188-N192 PolarHBondContact O-ND2 2.79Å
189E96.7Very high95.6Very high124 Ų12444.6 Ų44.658%0.57922%0.219SC*.Hα-helixtrans-57.8-42.8174.6-173.7-172.4165.300111.2F177 G186 F191 N192 W193F177-E189 HydrophobicContact CD1-CG 4.36Å; F177-E189 HydrophobicContact CE1-CG 3.89Å; G186-E189 PolarHBondContact O-N 3.2Å; E189-F191 PolarHBondContact O-N 2.99Å; E189-N192 WeakPolarHBondContact O-CB 3.19Å; E189-N192 PolarHBondContact O-N 2.74Å; E189-W193 PolarHBondContact O-N 2.65Å
190A98.3Very high95.4Very high0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-61.1-42.8178.500000113.2L130 L132 F177 G186 Y187 G188 W193 L194L130-A190 HydrophobicContact CD1-CB 3.78Å; L130-A190 HydrophobicContact CD2-CB 3.88Å; L130-A190 HydrophobicContact CG-CB 4.43Å; L132-A190 HydrophobicContact CD2-CB 3.57Å; F177-A190 HydrophobicContact CB-CB 3.51Å; F177-A190 HydrophobicContact CD1-CB 4.02Å; F177-A190 HydrophobicContact CD2-CB 3.8Å; F177-A190 HydrophobicContact CG-CB 3.5Å; G186-A190 PolarHBondContact O-N 2.89Å; Y187-A190 WeakPolarHBondContact O-CB 3.21Å; Y187-A190 PolarHBondContact O-N 2.87Å; G188-A190 VanDerWaalsContact C-N 3.27Å; G188-A190 PolarHBondContact O-N 3.26Å; A190-W193 WeakPolarHBondContact O-CB 3.41Å; A190-W193 PolarHBondContact O-N 2.97Å; A190-L194 PolarHBondContact O-N 3.46Å
191F97.3Very high95.3Very high0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-70.5-34.7175-86.7-82.7000112.2L19 L21 L28 F30 L41 F71 V97 Y187 G188 E189 W193 L194 A195L19-F191 HydrophobicContact CB-CB 3.87Å; L19-F191 HydrophobicContact CB-CG 4.4Å; L19-F191 HydrophobicContact CD2-CB 3.69Å; L19-F191 HydrophobicContact CD2-CD2 3.78Å; L19-F191 HydrophobicContact CD2-CG 3.82Å; L19-F191 HydrophobicContact CG-CB 4.31Å; L19-F191 CarbonylContact O-C 3.51Å; L19-F191 VanDerWaalsContact O-C 3.25Å; L21-F191 HydrophobicContact CD1-CD1 4.12Å; L28-F191 HydrophobicContact CD1-CD1 4.41Å; L28-F191 HydrophobicContact CD1-CE1 3.98Å; F30-F191 HydrophobicContact CE1-CE1 4.23Å; F30-F191 AromaticContact CE1-CZ 3.92Å; F30-F191 HydrophobicContact CE1-CZ 3.92Å; F30-F191 HydrophobicContact CZ-CE1 4.34Å; F30-F191 AromaticContact CZ-CZ 3.83Å; F30-F191 HydrophobicContact CZ-CZ 3.83Å; L41-F191 HydrophobicContact CD1-CE2 4.12Å; L41-F191 HydrophobicContact CD2-CE2 4.01Å; L41-F191 HydrophobicContact CD2-CZ 4.06Å; F71-F191 HydrophobicContact CE1-CE1 4.48Å; V97-F191 HydrophobicContact CG2-CE1 4.11Å; V97-F191 HydrophobicContact CG2-CZ 4.11Å; Y187-F191 HydrophobicContact CD2-CD2 4.16Å; Y187-F191 HydrophobicContact CD2-CE2 4.35Å; Y187-F191 VanDerWaalsContact O-CD2 3.25Å; Y187-F191 WeakPolarHBondContact O-CD2 3.28Å; Y187-F191 PolarHBondContact O-N 2.93Å; G188-F191 PolarHBondContact O-N 3.12Å; E189-F191 PolarHBondContact O-N 2.99Å; F191-W193 VanDerWaalsContact C-N 3.29Å; F191-W193 PolarHBondContact O-N 3.32Å; F191-L194 HydrophobicContact CD1-CD2 4.31Å; F191-L194 HydrophobicContact CE1-CD2 4.44Å; F191-L194 PolarHBondContact O-N 2.74Å; F191-A195 VanDerWaalsContact O-CB 3.28Å; F191-A195 WeakPolarHBondContact O-CB 3.5Å; F191-A195 PolarHBondContact O-N 3.23Å
192N97Very high95.3Very high66 Ų6652 Ų5235%0.35326%0.255SS..Hα-helixtrans-63.3-36.7172.3-79.8-83.3000111.6Y18 L19 G20 G188 E189 Q196Y18-N192 PolarHBondContact O-ND2 2.98Å; L19-N192 PolarHBondContact O-N 2.85Å; G20-N192 WeakPolarHBondContact CA-OD1 3.41Å; G20-N192 PolarHBondContact N-OD1 2.83Å; G188-N192 PolarHBondContact O-N 2.88Å; G188-N192 PolarHBondContact O-ND2 2.79Å; E189-N192 WeakPolarHBondContact O-CB 3.19Å; E189-N192 PolarHBondContact O-N 2.74Å; N192-Q196 WeakPolarHBondContact O-CG 3.39Å
193W97.8Very high95.4Very high4 Ų449.8 Ų49.82%0.01524%0.243CC..Hα-helixtrans-60.6-50.1169.917188.6000111.4I129 L130 G159 P173 E175 F177 E189 A190 F191 A195 Q196 Y197I129-W193 WeakPolarHBondContact O-CH2 3.45Å; L130-W193 HydrophobicContact CB-CE3 4.27Å; L130-W193 HydrophobicContact CB-CZ3 3.83Å; L130-W193 HydrophobicContact CD1-CE3 3.94Å; L130-W193 HydrophobicContact CD1-CZ3 4.14Å; G159-W193 PolarHBondContact O-NE1 2.66Å; P173-W193 HydrophobicContact CB-CH2 4.12Å; P173-W193 HydrophobicContact CB-CZ2 3.97Å; E175-W193 HydrophobicContact CB-CD2 4.03Å; E175-W193 VanDerWaalsContact CB-CE2 3.44Å; E175-W193 HydrophobicContact CB-CE3 4.37Å; E175-W193 HydrophobicContact CB-CH2 3.77Å; E175-W193 HydrophobicContact CB-CZ2 3.32Å; E175-W193 HydrophobicContact CB-CZ3 4.27Å; E175-W193 HydrophobicContact CG-CZ2 4.5Å; F177-W193 HydrophobicContact CE2-CB 3.74Å; F177-W193 AromaticContact CE2-CD2 3.86Å; F177-W193 HydrophobicContact CE2-CD2 3.86Å; F177-W193 HydrophobicContact CE2-CE3 4.18Å; F177-W193 AromaticContact CE2-CG 3.65Å; F177-W193 HydrophobicContact CE2-CG 3.65Å; F177-W193 HydrophobicContact CZ-CB 3.56Å; F177-W193 HydrophobicContact CZ-CD2 4.44Å; F177-W193 AromaticContact CZ-CG 3.75Å; F177-W193 HydrophobicContact CZ-CG 3.75Å; E189-W193 PolarHBondContact O-N 2.65Å; A190-W193 WeakPolarHBondContact O-CB 3.41Å; A190-W193 PolarHBondContact O-N 2.97Å; F191-W193 VanDerWaalsContact C-N 3.29Å; F191-W193 PolarHBondContact O-N 3.32Å; W193-A195 VanDerWaalsContact C-N 3.32Å; W193-A195 PolarHBondContact O-N 2.83Å; W193-Q196 WeakPolarHBondContact O-CB 3.22Å; W193-Q196 PolarHBondContact O-N 2.95Å; W193-Y197 HydrophobicContact CD2-CE2 4.09Å; W193-Y197 AromaticContact CE2-CE2 3.65Å; W193-Y197 HydrophobicContact CH2-CE2 4.33Å; W193-Y197 AromaticContact CZ2-CE2 3.79Å; W193-Y197 HydrophobicContact CZ2-CE2 3.79Å; W193-Y197 AromaticContact NE1-CE2 3.91Å; W193-Y197 WeakPolarHBondContact O-CD2 3.28Å; W193-Y197 VanDerWaalsContact O-CE2 3.3Å; W193-Y197 WeakPolarHBondContact O-CE2 3.28Å
194L97.7Very high95.5Very high0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-61.2-40.8-179.6178.959.8000112.2L28 V97 P128 L130 A190 F191 Q196 Y197 L198L28-L194 HydrophobicContact CD1-CD2 3.91Å; L28-L194 HydrophobicContact CD2-CD2 3.98Å; V97-L194 HydrophobicContact CG2-CD2 3.93Å; P128-L194 HydrophobicContact CB-CD1 3.61Å; P128-L194 HydrophobicContact CG-CD1 3.61Å; L130-L194 HydrophobicContact CB-CB 4.45Å; L130-L194 HydrophobicContact CB-CD1 4.45Å; L130-L194 HydrophobicContact CB-CD2 4.17Å; L130-L194 HydrophobicContact CD2-CB 4.31Å; L130-L194 HydrophobicContact CD2-CD2 4.22Å; A190-L194 PolarHBondContact O-N 3.46Å; F191-L194 HydrophobicContact CD1-CD2 4.31Å; F191-L194 HydrophobicContact CE1-CD2 4.44Å; F191-L194 PolarHBondContact O-N 2.74Å; L194-Q196 PolarHBondContact O-N 3.49Å; L194-Q196 VanDerWaalsContact O-N 3.12Å; L194-Y197 PolarHBondContact O-N 3.01Å; L194-L198 HydrophobicContact CG-CD1 4.23Å
195A96.2Very high95.7Very high5 Ų541.3 Ų41.34%0.04121%0.213CC..Hα-helixtrans-59.3-24.8-176.800000113.6G20 L21 K24 F191 W193 Y197 L198G20-A195 VanDerWaalsContact O-CB 3.31Å; G20-A195 WeakPolarHBondContact O-CB 3.44Å; L21-A195 HydrophobicContact CD2-CB 3.8Å; K24-A195 HydrophobicContact CD-CB 4.21Å; K24-A195 WeakPolarHBondContact CE-O 3.43Å; K24-A195 PolarHBondContact NZ-O 2.78Å; F191-A195 VanDerWaalsContact O-CB 3.28Å; F191-A195 WeakPolarHBondContact O-CB 3.5Å; F191-A195 PolarHBondContact O-N 3.23Å; W193-A195 VanDerWaalsContact C-N 3.32Å; W193-A195 PolarHBondContact O-N 2.83Å; A195-Y197 PolarHBondContact O-N 3.16Å; A195-Y197 VanDerWaalsContact O-N 3.16Å; A195-L198 PolarHBondContact O-N 3.25Å
196Q95.3Very high95.7Very high79 Ų7936.6 Ų36.637%0.36919%0.193SC..THydrogen-bonded Turntrans-64-18.3177.2-61.817655.500113.1T162 N192 W193 L194T162-Q196 VanDerWaalsContact CG2-OE1 3.32Å; T162-Q196 PolarHBondContact OG1-OE1 2.88Å; N192-Q196 WeakPolarHBondContact O-CG 3.39Å; W193-Q196 WeakPolarHBondContact O-CB 3.22Å; W193-Q196 PolarHBondContact O-N 2.95Å; L194-Q196 PolarHBondContact O-N 3.49Å; L194-Q196 VanDerWaalsContact O-N 3.12Å
197Y95.6Very high95.6Very high24 Ų2437.4 Ų37.49%0.09419%0.187CC..THydrogen-bonded Turntrans-112.84.6-175.4-49.7-69.8000113.5P128 I163 K165 I168 P173 W193 L194 A195P128-Y197 HydrophobicContact CB-CD2 4.22Å; P128-Y197 HydrophobicContact CB-CG 4.33Å; I163-Y197 WeakPolarHBondContact O-CE1 3.39Å; I163-Y197 PolarHBondContact O-OH 3.44Å; K165-Y197 HydrophobicContact CB-CD1 4.39Å; I168-Y197 HydrophobicContact CD1-CE1 4.07Å; P173-Y197 HydrophobicContact CB-CD1 3.99Å; P173-Y197 HydrophobicContact CB-CD2 3.75Å; P173-Y197 HydrophobicContact CB-CE1 3.86Å; P173-Y197 HydrophobicContact CB-CE2 3.64Å; P173-Y197 HydrophobicContact CB-CG 3.92Å; P173-Y197 HydrophobicContact CG-CD1 3.38Å; P173-Y197 HydrophobicContact CG-CD2 3.93Å; P173-Y197 HydrophobicContact CG-CE1 3.61Å; P173-Y197 HydrophobicContact CG-CE2 4.15Å; P173-Y197 HydrophobicContact CG-CG 3.54Å; W193-Y197 HydrophobicContact CD2-CE2 4.09Å; W193-Y197 AromaticContact CE2-CE2 3.65Å; W193-Y197 HydrophobicContact CH2-CE2 4.33Å; W193-Y197 AromaticContact CZ2-CE2 3.79Å; W193-Y197 HydrophobicContact CZ2-CE2 3.79Å; W193-Y197 AromaticContact NE1-CE2 3.91Å; W193-Y197 WeakPolarHBondContact O-CD2 3.28Å; W193-Y197 VanDerWaalsContact O-CE2 3.3Å; W193-Y197 WeakPolarHBondContact O-CE2 3.28Å; L194-Y197 PolarHBondContact O-N 3.01Å; A195-Y197 PolarHBondContact O-N 3.16Å; A195-Y197 VanDerWaalsContact O-N 3.16Å
198L93.9Very high95.5Very high8 Ų839.8 Ų39.84%0.04220%0.199CC..  trans-105.3154.4174.8-56.1176.3000108.6L21 K24 L28 M69 D94 P128 L194 A195L21-L198 HydrophobicContact CD2-CD1 3.63Å; K24-L198 HydrophobicContact CD-CB 4.16Å; K24-L198 PolarHBondContact NZ-O 2.88Å; L28-L198 HydrophobicContact CD1-CD1 4.16Å; L28-L198 HydrophobicContact CD2-CD1 3.92Å; L28-L198 HydrophobicContact CD2-CD2 4.03Å; L28-L198 HydrophobicContact CG-CD1 4.35Å; M69-L198 HydrophobicContact CE-CD1 3.97Å; D94-L198 HydrophobicContact CB-CD2 3.86Å; D94-L198 WeakPolarHBondContact O-CD2 3.47Å; P128-L198 HydrophobicContact CG-CD2 4.28Å; L194-L198 HydrophobicContact CG-CD1 4.23Å; A195-L198 PolarHBondContact O-N 3.25Å
199D84.1Confident95.4Very high166 Ų16643.3 Ų43.389%0.88822%0.217SC*.  trans-77.50175.6-70.4-31.1000111.3K24 N25K24-D199 CarbonylContact C-O 3.58Å; K24-D199 WeakPolarHBondContact CA-O 3.27Å; K24-D199 VanDerWaalsContact CB-O 3.29Å; K24-D199 WeakPolarHBondContact CB-O 3.2Å; K24-D199 PolarHBondContact NZ-OXT 2.97Å; N25-D199 PolarHBondContact N-O 3.38Å

Retrieved 199 of 199 residues in 490 ms (Link to these results)

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