A0A087XRL0_POEFO Loading...

Leucine-rich repeat-containing protein 51

AlphaFold DB , UniProt , Accession A0A087XRL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 184 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
1M36.4Very low62.7Low239 Ų23977.8 Ų77.8100%1.17743%0.428SS*.  0117.30-72.6168.9176.700107.2K3M1-K3 PolarHBondContact O-N 3.3Å
2D35.9Very low65.4Low88 Ų8871.3 Ų71.347%0.47139%0.392SS..  trans-69.5116-171.8-163-3.5000110.3T4 R99D2-T4 PolarHBondContact O-N 3.45Å; D2-T4 VanDerWaalsContact O-N 3.12Å; D2-T4 PolarHBondContact OD1-OG1 3.13Å; D2-T4 PolarHBondContact OD2-OG1 3.26Å; D2-R99 IonicContact OD2-NH1 3.64Å; D2-R99 PolarHBondContact OD2-NH1 3.2Å; D2-R99 VanDerWaalsContact OD2-NH1 3.11Å
3K39.1Very low67.8Low197 Ų19766 Ų6686%0.85736%0.363SS*.THydrogen-bonded Turntrans-69.6-2.3-175.3-84.2178.5173177.10113.2M1 M5M1-K3 PolarHBondContact O-N 3.3Å; K3-M5 PolarHBondContact O-N 3.14Å
4T43.9Very low69.8Low60 Ų6069.9 Ų69.937%0.36838%0.375SS..THydrogen-bonded Turntrans-85.11.7-176.862.60000115.1D2D2-T4 PolarHBondContact O-N 3.45Å; D2-T4 VanDerWaalsContact O-N 3.12Å; D2-T4 PolarHBondContact OD1-OG1 3.13Å; D2-T4 PolarHBondContact OD2-OG1 3.26Å
5M50.9Low71.5Confident58 Ų5870.2 Ų70.229%0.28637%0.369SS..  trans-96.836.9176-62.9-61.5144.400112.6K3 G7 A76 R99K3-M5 PolarHBondContact O-N 3.14Å; M5-G7 PolarHBondContact O-N 3.32Å; M5-A76 HydrophobicContact CE-CB 3.62Å; M5-A76 HydrophobicContact SD-CB 4.07Å; M5-R99 HydrophobicContact CE-CB 4.37Å
6C50.9Low72.9Confident114 Ų11472.6 Ų72.677%0.7739%0.393SS*.  trans-85.430.8-163.5-151.20000115.3
7G66.6Low74.2Confident36 Ų3668.5 Ų68.537%0.37137%0.371SS..SBendtrans-127.7148.1176.100000111.9M5M5-G7 PolarHBondContact O-N 3.32Å
8A84.8Confident75.3Confident11 Ų1167.6 Ų67.69%0.09137%0.371CS..  trans-63.7141.1171.600000109.9R33 L35 S45A8-R33 HydrophobicContact CB-CB 3.96Å; A8-R33 VanDerWaalsContact CB-O 3.31Å; A8-R33 WeakPolarHBondContact CB-O 3.46Å; A8-L35 HydrophobicContact CB-CD2 3.87Å; A8-L35 HydrophobicContact CB-CG 4.2Å; A8-L35 WeakPolarHBondContact O-CD2 3.26Å; A8-S45 WeakPolarHBondContact O-CB 3.49Å; A8-S45 PolarHBondContact O-OG 3.32Å
9P91.4Very high76.4Confident27 Ų2771.8 Ų71.818%0.17538%0.38CS..  trans-69.9144.3175.529-33.4000111D11 A47 R49P9-D11 PolarHBondContact O-N 3.25Å; P9-A47 WeakPolarHBondContact CA-O 3.46Å; P9-A47 HydrophobicContact CB-CB 3.76Å; P9-R49 HydrophobicContact CB-CG 3.92Å; P9-R49 HydrophobicContact CG-CG 4.47Å
10V94.3Very high77.3Confident0 Ų068.3 Ų68.30%036%0.362CS..EExtended strand (participates in β ladder)trans-72108.2163.6-179.50000106.9L12 P28 L35 Y43 A47 L48 R49 F68 L69V10-L12 HydrophobicContact CG1-CD1 4.32Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; V10-P28 HydrophobicContact CG1-CB 3.95Å; V10-P28 HydrophobicContact CG1-CG 3.59Å; V10-L35 HydrophobicContact CG2-CD1 4.44Å; V10-L35 HydrophobicContact CG2-CD2 4.1Å; V10-Y43 HydrophobicContact CG1-CD2 4.19Å; V10-Y43 HydrophobicContact CG1-CE2 4.43Å; V10-Y43 HydrophobicContact CG2-CD1 4.47Å; V10-Y43 HydrophobicContact CG2-CD2 3.81Å; V10-Y43 HydrophobicContact CG2-CG 3.7Å; V10-A47 PolarHBondContact N-O 3.2Å; V10-L48 HydrophobicContact CB-CD1 3.95Å; V10-L48 HydrophobicContact CG1-CD1 3.93Å; V10-R49 PolarHBondContact O-N 3.25Å; V10-F68 HydrophobicContact CG1-CB 4.36Å; V10-F68 HydrophobicContact CG1-CD1 4.2Å; V10-F68 HydrophobicContact CG1-CG 4.31Å; V10-L69 HydrophobicContact CB-CD2 4.49Å; V10-L69 HydrophobicContact CG2-CD2 3.68Å
11D95.6Very high78.1Confident26 Ų2666.9 Ų66.914%0.13936%0.356CS..EExtended strand (participates in β ladder)trans-103.5105.7-171.7-169-31.2000111.2P9 S13 P28 R29P9-D11 PolarHBondContact O-N 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.42Å; D11-S13 PolarHBondContact OD1-N 3.49Å; D11-S13 PolarHBondContact OD1-OG 3.4Å; D11-P28 CarbonylContact O-C 3.44Å; D11-P28 WeakPolarHBondContact O-CA 3.43Å; D11-R29 HydrophobicContact CB-CB 4.21Å; D11-R29 PolarHBondContact O-N 3.46Å
12L95.6Very high80.8Confident0 Ų058.2 Ų58.20%031%0.314CS..  trans-112.427176.4-63.6161.4000110.5V10 R15 A23 E26 P28 L48 R49 L50 N53 F68V10-L12 HydrophobicContact CG1-CD1 4.32Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; L12-R15 WeakPolarHBondContact O-CG 3.41Å; L12-A23 HydrophobicContact CD1-CB 4.25Å; L12-E26 HydrophobicContact CD2-CB 4.03Å; L12-P28 HydrophobicContact CD2-CB 4.46Å; L12-P28 HydrophobicContact CD2-CG 4.07Å; L12-L48 HydrophobicContact CD1-CD1 3.96Å; L12-R49 CarbonylContact C-O 3.57Å; L12-R49 WeakPolarHBondContact CA-O 3.23Å; L12-R49 WeakPolarHBondContact CB-O 3.47Å; L12-R49 PolarHBondContact N-O 2.88Å; L12-L50 HydrophobicContact CB-CD2 3.91Å; L12-L50 HydrophobicContact CD1-CD2 4.17Å; L12-N53 PolarHBondContact O-ND2 3.28Å; L12-F68 HydrophobicContact CD1-CD2 3.82Å; L12-F68 HydrophobicContact CD1-CE1 4.2Å; L12-F68 HydrophobicContact CD1-CE2 3.43Å; L12-F68 VanDerWaalsContact CD1-CE2 3.43Å; L12-F68 HydrophobicContact CD1-CG 4.36Å; L12-F68 HydrophobicContact CD1-CZ 3.64Å; L12-F68 HydrophobicContact CD2-CE1 4.36Å; L12-F68 HydrophobicContact CD2-CZ 4.06Å; L12-F68 HydrophobicContact CG-CZ 4.49Å
13S96.1Very high83.5Confident2 Ų254 Ų541%0.01429%0.292CS..THydrogen-bonded Turntrans-75.8150.3179.1-62.20000111.7D11 R15 R29 S51D11-S13 WeakPolarHBondContact OD1-CB 3.42Å; D11-S13 PolarHBondContact OD1-N 3.49Å; D11-S13 PolarHBondContact OD1-OG 3.4Å; S13-R15 VanDerWaalsContact C-N 3.35Å; S13-R15 PolarHBondContact O-N 3.27Å; S13-R29 VanDerWaalsContact O-CD 3.26Å; S13-R29 WeakPolarHBondContact O-CD 3.47Å; S13-S51 CarbonylContact C-O 3.54Å; S13-S51 WeakPolarHBondContact CA-O 3.35Å; S13-S51 WeakPolarHBondContact CB-O 3.39Å; S13-S51 PolarHBondContact OG-N 2.97Å; S13-S51 VanDerWaalsContact OG-N 3.1Å; S13-S51 PolarHBondContact OG-O 3Å; S13-S51 PolarHBondContact OG-OG 3.02Å
14F95.9Very high86.1Confident120 Ų12049.3 Ų49.353%0.52627%0.269SS..THydrogen-bonded Turntrans59.639179.1-52.5-95.4000114.3S51 N52F14-S51 PolarHBondContact N-O 3.26Å; F14-S51 VanDerWaalsContact N-O 3.1Å; F14-N52 VanDerWaalsContact CA-O 3.31Å; F14-N52 WeakPolarHBondContact CA-O 3.38Å; F14-N52 HydrophobicContact CD1-CB 3.46Å; F14-N52 VanDerWaalsContact CD1-CB 3.46Å; F14-N52 HydrophobicContact CD2-CB 3.97Å; F14-N52 HydrophobicContact CE1-CB 3.34Å; F14-N52 WeakPolarHBondContact CE1-OD1 3.4Å; F14-N52 HydrophobicContact CE2-CB 3.87Å; F14-N52 HydrophobicContact CG-CB 3.78Å; F14-N52 HydrophobicContact CZ-CB 3.57Å; F14-N52 VanDerWaalsContact CZ-ND2 3.28Å; F14-N52 WeakPolarHBondContact CZ-ND2 3.08Å; F14-N52 PolarHBondContact N-O 3.15Å
15R95.2Very high88.4Confident75 Ų7552.4 Ų52.428%0.28329%0.287SS..SBendtrans-103.98.4177.9-67-59.1-168.3167.1-10.3112.9L12 S13 L17 E26 T27 N53L12-R15 WeakPolarHBondContact O-CG 3.41Å; S13-R15 VanDerWaalsContact C-N 3.35Å; S13-R15 PolarHBondContact O-N 3.27Å; R15-L17 HydrophobicContact CB-CD1 4.21Å; R15-L17 HydrophobicContact CB-CD2 3.72Å; R15-L17 HydrophobicContact CB-CG 3.69Å; R15-L17 PolarHBondContact O-N 3.45Å; R15-E26 HydrophobicContact CB-CG 4.26Å; R15-E26 VanDerWaalsContact CD-OE2 3.26Å; R15-E26 WeakPolarHBondContact CD-OE2 2.92Å; R15-E26 HydrophobicContact CG-CG 4.27Å; R15-E26 IonicContact CZ-OE2 3.86Å; R15-E26 IonicContact NE-OE2 2.64Å; R15-E26 PolarHBondContact NE-OE2 3.4Å; R15-E26 IonicContact NH1-OE2 2.84Å; R15-E26 PolarHBondContact NH1-OE2 3Å; R15-T27 VanDerWaalsContact CZ-O 3.3Å; R15-T27 PolarHBondContact NE-O 3.46Å; R15-T27 PolarHBondContact NH2-O 3.2Å; R15-N53 WeakPolarHBondContact CA-OD1 3.31Å; R15-N53 PolarHBondContact N-OD1 3.29Å
16S94.6Very high90.4Very high108 Ų10852.5 Ų52.576%0.75529%0.287SS*.  trans55.230.6-177-58.20000113S18 N53S16-S18 PolarHBondContact O-N 3.48Å; S16-N53 PolarHBondContact N-OD1 3.18Å
17L94.7Very high92.3Very high3 Ų351.7 Ų51.72%0.01628%0.279CS..  trans-67.2132.3-176.2-52.7174.9000110.2R15 D22 A23 E26 L50 N53 S54 I55R15-L17 HydrophobicContact CB-CD1 4.21Å; R15-L17 HydrophobicContact CB-CD2 3.72Å; R15-L17 HydrophobicContact CB-CG 3.69Å; R15-L17 PolarHBondContact O-N 3.45Å; L17-D22 HydrophobicContact CD2-CB 3.8Å; L17-A23 HydrophobicContact CD1-CB 3.85Å; L17-A23 HydrophobicContact CD2-CB 4.43Å; L17-E26 HydrophobicContact CD2-CG 4.16Å; L17-L50 HydrophobicContact CD1-CD2 3.91Å; L17-N53 HydrophobicContact CB-CB 4.01Å; L17-N53 WeakPolarHBondContact CG-OD1 3.33Å; L17-N53 PolarHBondContact N-OD1 3.3Å; L17-S54 CarbonylContact O-C 3.24Å; L17-S54 VanDerWaalsContact O-C 3.24Å; L17-S54 VanDerWaalsContact O-CA 3.28Å; L17-S54 WeakPolarHBondContact O-CA 3.14Å; L17-S54 PolarHBondContact O-N 3.25Å; L17-I55 HydrophobicContact CB-CD1 4.41Å; L17-I55 HydrophobicContact CB-CG1 4.18Å; L17-I55 PolarHBondContact O-N 3.25Å
18S94.3Very high93.5Very high53 Ų5351 Ų5137%0.37127%0.268SS..SBendtrans-102.3-33.5172.967.80000111.3S16 D22S16-S18 PolarHBondContact O-N 3.48Å; S18-D22 PolarHBondContact N-OD2 3.07Å; S18-D22 VanDerWaalsContact N-OD2 3.07Å; S18-D22 PolarHBondContact OG-OD2 3.06Å
19R94.8Very high93.7Very high147 Ų14755.7 Ų55.756%0.55528%0.283SS*.SBendtrans-124152.5176.5-55.617670.31710.4109.3T21 D22R19-T21 PolarHBondContact O-N 2.99Å; R19-D22 PolarHBondContact N-OD2 2.99Å; R19-D22 WeakPolarHBondContact O-CB 3.31Å; R19-D22 PolarHBondContact O-N 3.11Å
20L94.3Very high93Very high2 Ų260.4 Ų60.41%0.0132%0.317CS..G310 helixtrans-66.3-24.3177-70.8-178.8000113.1D22 A23 L50 I55 L58 C59 L61 T64L20-D22 VanDerWaalsContact C-N 3.32Å; L20-A23 WeakPolarHBondContact O-CB 3.3Å; L20-A23 PolarHBondContact O-N 2.76Å; L20-L50 HydrophobicContact CD2-CD1 3.75Å; L20-L50 HydrophobicContact CD2-CD2 4.31Å; L20-I55 HydrophobicContact CD2-CD1 3.71Å; L20-I55 HydrophobicContact CD2-CG1 4.39Å; L20-I55 HydrophobicContact CD2-CG2 4.28Å; L20-I55 HydrophobicContact CG-CG2 4.36Å; L20-L58 HydrophobicContact CD1-CB 4.3Å; L20-L58 HydrophobicContact CD1-CD2 4.01Å; L20-C59 WeakPolarHBondContact CD1-O 3.46Å; L20-L61 HydrophobicContact CD1-CB 3.66Å; L20-L61 HydrophobicContact CD1-CD1 3.78Å; L20-L61 HydrophobicContact CD1-CG 4.33Å; L20-T64 PolarHBondContact O-OG1 3.46Å; L20-T64 VanDerWaalsContact O-OG1 3.13Å
21T94.2Very high92Very high38 Ų3862.4 Ų62.423%0.23333%0.331CS..G310 helixtrans-68-29.3174.652.10000113.1R19 A23 W24 D60R19-T21 PolarHBondContact O-N 2.99Å; T21-A23 PolarHBondContact O-N 3.3Å; T21-A23 VanDerWaalsContact O-N 3.14Å; T21-W24 HydrophobicContact CG2-CH2 4.21Å; T21-W24 HydrophobicContact CG2-CZ2 3.98Å; T21-W24 WeakPolarHBondContact O-CB 3.2Å; T21-W24 PolarHBondContact O-N 3.27Å; T21-D60 HydrophobicContact CG2-CB 4.09Å
22D93.5Very high90.9Very high57 Ų5770.1 Ų70.131%0.30537%0.371SS..G310 helixtrans-60.3-26.4177.1-56-16.5000110.5L17 S18 R19 L20 W24 T25L17-D22 HydrophobicContact CD2-CB 3.8Å; S18-D22 PolarHBondContact N-OD2 3.07Å; S18-D22 VanDerWaalsContact N-OD2 3.07Å; S18-D22 PolarHBondContact OG-OD2 3.06Å; R19-D22 PolarHBondContact N-OD2 2.99Å; R19-D22 WeakPolarHBondContact O-CB 3.31Å; R19-D22 PolarHBondContact O-N 3.11Å; L20-D22 VanDerWaalsContact C-N 3.32Å; D22-W24 VanDerWaalsContact C-N 3.26Å; D22-W24 PolarHBondContact O-N 3.06Å; D22-T25 PolarHBondContact O-OG1 3Å
23A93.3Very high90.1Very high0 Ų078.3 Ų78.30%040%0.402CS..G310 helixtrans-65.2-27.8178.700000112.8L12 L17 L20 T21 T25 E26 T64 F68L12-A23 HydrophobicContact CD1-CB 4.25Å; L17-A23 HydrophobicContact CD1-CB 3.85Å; L17-A23 HydrophobicContact CD2-CB 4.43Å; L20-A23 WeakPolarHBondContact O-CB 3.3Å; L20-A23 PolarHBondContact O-N 2.76Å; T21-A23 PolarHBondContact O-N 3.3Å; T21-A23 VanDerWaalsContact O-N 3.14Å; A23-T25 PolarHBondContact O-N 3.44Å; A23-T25 VanDerWaalsContact O-N 3.13Å; A23-E26 WeakPolarHBondContact O-CB 3.38Å; A23-E26 PolarHBondContact O-N 3.43Å; A23-T64 HydrophobicContact CB-CG2 4.35Å; A23-F68 HydrophobicContact CB-CE2 4.05Å; A23-F68 HydrophobicContact CB-CZ 4.47Å; A23-F68 VanDerWaalsContact O-CZ 3.26Å; A23-F68 WeakPolarHBondContact O-CZ 3.29Å
24W92.9Very high89.3Confident99 Ų9983.7 Ų83.738%0.37544%0.437SS..G310 helixtrans-66.4-20.4-168.2-61.31.1000113.8T21 D22 Q63 T64 H67T21-W24 HydrophobicContact CG2-CH2 4.21Å; T21-W24 HydrophobicContact CG2-CZ2 3.98Å; T21-W24 WeakPolarHBondContact O-CB 3.2Å; T21-W24 PolarHBondContact O-N 3.27Å; D22-W24 VanDerWaalsContact C-N 3.26Å; D22-W24 PolarHBondContact O-N 3.06Å; W24-Q63 HydrophobicContact CH2-CB 4.22Å; W24-Q63 HydrophobicContact CZ2-CB 3.69Å; W24-T64 PolarHBondContact NE1-OG1 2.78Å; W24-H67 PolarHBondContact O-NE2 2.83Å
25T92.3Very high88.8Confident124 Ų12479.9 Ų79.976%0.76142%0.422SS*.G310 helixtrans-94.9-8.7174.553.70000112.9D22 A23D22-T25 PolarHBondContact O-OG1 3Å; A23-T25 PolarHBondContact O-N 3.44Å; A23-T25 VanDerWaalsContact O-N 3.13Å
26E93.2Very high88.5Confident60 Ų6083.8 Ų83.828%0.2844%0.441SS..PPolyproline II helixtrans-84.8145-177.5-70.9-61.714100112.1L12 R15 L17 A23L12-E26 HydrophobicContact CD2-CB 4.03Å; R15-E26 HydrophobicContact CB-CG 4.26Å; R15-E26 VanDerWaalsContact CD-OE2 3.26Å; R15-E26 WeakPolarHBondContact CD-OE2 2.92Å; R15-E26 HydrophobicContact CG-CG 4.27Å; R15-E26 IonicContact CZ-OE2 3.86Å; R15-E26 IonicContact NE-OE2 2.64Å; R15-E26 PolarHBondContact NE-OE2 3.4Å; R15-E26 IonicContact NH1-OE2 2.84Å; R15-E26 PolarHBondContact NH1-OE2 3Å; L17-E26 HydrophobicContact CD2-CG 4.16Å; A23-E26 WeakPolarHBondContact O-CB 3.38Å; A23-E26 PolarHBondContact O-N 3.43Å
27T90.3Very high88.4Confident98 Ų9883.8 Ų83.860%0.60143%0.427SS*.PPolyproline II helixtrans-89.3130.7170.9510000109.6R15 R29R15-T27 VanDerWaalsContact CZ-O 3.3Å; R15-T27 PolarHBondContact NE-O 3.46Å; R15-T27 PolarHBondContact NH2-O 3.2Å; T27-R29 PolarHBondContact O-N 3.01Å
28P92.1Very high88.3Confident20 Ų2085.1 Ų85.113%0.1343%0.434CS..PPolyproline II helixtrans-57.3139.8172.8-27.436.3000111.4V10 D11 L12 L35 Y43 F68V10-P28 HydrophobicContact CG1-CB 3.95Å; V10-P28 HydrophobicContact CG1-CG 3.59Å; D11-P28 CarbonylContact O-C 3.44Å; D11-P28 WeakPolarHBondContact O-CA 3.43Å; L12-P28 HydrophobicContact CD2-CB 4.46Å; L12-P28 HydrophobicContact CD2-CG 4.07Å; P28-L35 HydrophobicContact CB-CD1 4.16Å; P28-Y43 WeakPolarHBondContact CD-OH 3.21Å; P28-Y43 HydrophobicContact CG-CE2 3.68Å; P28-F68 HydrophobicContact CG-CD1 4.44Å; P28-F68 HydrophobicContact CG-CE1 4.24Å
29R90.1Very high88.2Confident111 Ų11188.8 Ų88.842%0.41946%0.457SS..PPolyproline II helixtrans-59.6143.8177.7-65.4-179.765.4153.2-0.2110.2D11 S13 T27 S31D11-R29 HydrophobicContact CB-CB 4.21Å; D11-R29 PolarHBondContact O-N 3.46Å; S13-R29 VanDerWaalsContact O-CD 3.26Å; S13-R29 WeakPolarHBondContact O-CD 3.47Å; T27-R29 PolarHBondContact O-N 3.01Å; R29-S31 PolarHBondContact O-N 3.44Å
30S76.7Confident88.1Confident125 Ų12588.2 Ų88.287%0.87446%0.46SS*.PPolyproline II helixtrans-68118.8177.967.60000110.5
31S72.3Confident88Confident43 Ų4391.8 Ų91.830%0.30149%0.486SS..PPolyproline II helixtrans-90154.2166.546.50000111R29 R33R29-S31 PolarHBondContact O-N 3.44Å; S31-R33 CarbonylContact O-C 3.58Å; S31-R33 PolarHBondContact O-N 2.92Å; S31-R33 PolarHBondContact OG-O 2.89Å
32L72.6Confident88Confident188 Ų18893 Ų9398%0.98449%0.488SS*.SBendtrans-54.3-25.5173.4-68.9169.5000113.1
33R78.3Confident87.9Confident171 Ų17191.7 Ų91.765%0.64548%0.479SS*.SBendtrans-102.3121.3172.9-64-177.4-167.6-169.23.2108.5A8 S31 L35A8-R33 HydrophobicContact CB-CB 3.96Å; A8-R33 VanDerWaalsContact CB-O 3.31Å; A8-R33 WeakPolarHBondContact CB-O 3.46Å; S31-R33 CarbonylContact O-C 3.58Å; S31-R33 PolarHBondContact O-N 2.92Å; S31-R33 PolarHBondContact OG-O 2.89Å; R33-L35 PolarHBondContact O-N 2.78Å
34P79.5Confident87.9Confident115 Ų11596.1 Ų96.175%0.74750%0.502SS*.PPolyproline II helixtrans-60.9136.5178.2-23.233.1000111.7
35L86.1Confident87.9Confident40 Ų4091.7 Ų91.721%0.20949%0.486CS..PPolyproline II helixtrans-73.5124.2170.3-76.9164.9000109.3A8 V10 P28 R33 Y43A8-L35 HydrophobicContact CB-CD2 3.87Å; A8-L35 HydrophobicContact CB-CG 4.2Å; A8-L35 WeakPolarHBondContact O-CD2 3.26Å; V10-L35 HydrophobicContact CG2-CD1 4.44Å; V10-L35 HydrophobicContact CG2-CD2 4.1Å; P28-L35 HydrophobicContact CB-CD1 4.16Å; R33-L35 PolarHBondContact O-N 2.78Å; L35-Y43 HydrophobicContact CB-CD1 3.62Å; L35-Y43 HydrophobicContact CB-CE1 3.74Å; L35-Y43 HydrophobicContact CD1-CD1 3.95Å; L35-Y43 HydrophobicContact CD1-CE1 3.75Å; L35-Y43 HydrophobicContact CD2-CD1 4.3Å; L35-Y43 HydrophobicContact CG-CD1 4.19Å; L35-Y43 HydrophobicContact CG-CE1 4.32Å
36K89.6Confident88Confident158 Ų15890 Ų9069%0.68747%0.466SS*.PPolyproline II helixtrans-81.5142.3173-63.5-176.7-179.9-177.50109.6L44K36-L44 HydrophobicContact CB-CB 4.31Å; K36-L44 HydrophobicContact CB-CD1 4.14Å; K36-L44 PolarHBondContact O-N 3.37Å
37K91.4Very high88.1Confident108 Ų10887.5 Ų87.547%0.4746%0.455SS..BIsolated β-bridgetrans-115.3152175.4-68.7-177.6171.1-162.90111.1S41 K42 Y43K37-S41 WeakPolarHBondContact CD-O 3.48Å; K37-K42 CarbonylContact C-O 3.56Å; K37-K42 WeakPolarHBondContact CA-O 3.2Å; K37-Y43 HydrophobicContact CD-CD1 4.49Å; K37-Y43 HydrophobicContact CD-CE1 4.17Å; K37-Y43 WeakPolarHBondContact CE-OH 3.21Å; K37-Y43 HydrophobicContact CG-CD1 3.81Å; K37-Y43 HydrophobicContact CG-CE1 3.94Å; K37-Y43 PolarHBondContact NZ-OH 3.49Å
38N91.8Very high88.4Confident30 Ų3082.9 Ų82.916%0.1643%0.427CS..  trans-82.6175.8167.579.3-10.5000110.5E40 S41 K42 L44 A70N38-E40 PolarHBondContact ND2-OE2 3.4Å; N38-E40 PolarHBondContact O-N 3.37Å; N38-E40 WeakPolarHBondContact OD1-CA 2.97Å; N38-E40 PolarHBondContact OD1-N 3.23Å; N38-S41 PolarHBondContact O-N 3.25Å; N38-S41 PolarHBondContact OD1-N 3.09Å; N38-K42 PolarHBondContact N-O 3.06Å; N38-K42 WeakPolarHBondContact OD1-CB 3.49Å; N38-K42 PolarHBondContact OD1-N 3.22Å; N38-K42 PolarHBondContact OD1-O 3.49Å; N38-L44 HydrophobicContact CB-CD2 4.12Å; N38-L44 HydrophobicContact CB-CG 4.46Å; N38-A70 HydrophobicContact CB-CB 4.43Å
39P93.8Very high88.6Confident131 Ų13185.5 Ų85.585%0.85143%0.434SS*.THydrogen-bonded Turntrans-58.6-25177.8-26.736.8000114.6S41P39-S41 PolarHBondContact O-N 3.3Å
40E92.6Very high89Confident134 Ų13480.2 Ų80.263%0.62641%0.414SS*.THydrogen-bonded Turntrans-84.412.4175.4-57.5125.9-152.400113N38 K42N38-E40 PolarHBondContact ND2-OE2 3.4Å; N38-E40 PolarHBondContact O-N 3.37Å; N38-E40 WeakPolarHBondContact OD1-CA 2.97Å; N38-E40 PolarHBondContact OD1-N 3.23Å; E40-K42 HydrophobicContact CB-CG 4.43Å; E40-K42 PolarHBondContact O-N 3Å
41S91.9Very high90Very high78 Ų7874.5 Ų74.555%0.54537%0.374SS..SBendtrans63.215.4-177.7-630000115.9K37 N38 P39K37-S41 WeakPolarHBondContact CD-O 3.48Å; N38-S41 PolarHBondContact O-N 3.25Å; N38-S41 PolarHBondContact OD1-N 3.09Å; P39-S41 PolarHBondContact O-N 3.3Å
42K93.2Very high91.2Very high64 Ų6475 Ų7528%0.27837%0.374SS..  trans-86148.3174-61.2-171.1176.8-164.50111.7K37 N38 E40 S66 A70K37-K42 CarbonylContact C-O 3.56Å; K37-K42 WeakPolarHBondContact CA-O 3.2Å; N38-K42 PolarHBondContact N-O 3.06Å; N38-K42 WeakPolarHBondContact OD1-CB 3.49Å; N38-K42 PolarHBondContact OD1-N 3.22Å; N38-K42 PolarHBondContact OD1-O 3.49Å; E40-K42 HydrophobicContact CB-CG 4.43Å; E40-K42 PolarHBondContact O-N 3Å; K42-S66 WeakPolarHBondContact CE-O 3.39Å; K42-S66 PolarHBondContact NZ-O 2.89Å; K42-A70 HydrophobicContact CB-CB 3.98Å
43Y92.9Very high92.4Very high29 Ų2966.7 Ų66.711%0.11433%0.33CS..BIsolated β-bridgetrans-77.3129.2-176.5-64.2-71.1000112.3V10 P28 L35 K37 S45 F68 A70V10-Y43 HydrophobicContact CG1-CD2 4.19Å; V10-Y43 HydrophobicContact CG1-CE2 4.43Å; V10-Y43 HydrophobicContact CG2-CD1 4.47Å; V10-Y43 HydrophobicContact CG2-CD2 3.81Å; V10-Y43 HydrophobicContact CG2-CG 3.7Å; P28-Y43 WeakPolarHBondContact CD-OH 3.21Å; P28-Y43 HydrophobicContact CG-CE2 3.68Å; L35-Y43 HydrophobicContact CB-CD1 3.62Å; L35-Y43 HydrophobicContact CB-CE1 3.74Å; L35-Y43 HydrophobicContact CD1-CD1 3.95Å; L35-Y43 HydrophobicContact CD1-CE1 3.75Å; L35-Y43 HydrophobicContact CD2-CD1 4.3Å; L35-Y43 HydrophobicContact CG-CD1 4.19Å; L35-Y43 HydrophobicContact CG-CE1 4.32Å; K37-Y43 HydrophobicContact CD-CD1 4.49Å; K37-Y43 HydrophobicContact CD-CE1 4.17Å; K37-Y43 WeakPolarHBondContact CE-OH 3.21Å; K37-Y43 HydrophobicContact CG-CD1 3.81Å; K37-Y43 HydrophobicContact CG-CE1 3.94Å; K37-Y43 PolarHBondContact NZ-OH 3.49Å; Y43-S45 PolarHBondContact O-N 3.25Å; Y43-F68 WeakPolarHBondContact CB-O 3.34Å; Y43-F68 HydrophobicContact CD2-CB 4.35Å; Y43-F68 HydrophobicContact CD2-CD1 4.08Å; Y43-F68 VanDerWaalsContact CD2-O 3.29Å; Y43-F68 WeakPolarHBondContact CD2-O 3.06Å; Y43-F68 AromaticContact CE2-CD1 3.89Å; Y43-F68 HydrophobicContact CE2-CD1 3.89Å; Y43-F68 PolarHBondContact N-O 3.09Å; Y43-A70 PolarHBondContact O-N 2.85Å
44L92.9Very high93.3Very high93 Ų9360.4 Ų60.449%0.48731%0.312SS..  trans-8164.4169.9-62.1174000109.3K36 N38 A70K36-L44 HydrophobicContact CB-CB 4.31Å; K36-L44 HydrophobicContact CB-CD1 4.14Å; K36-L44 PolarHBondContact O-N 3.37Å; N38-L44 HydrophobicContact CB-CD2 4.12Å; N38-L44 HydrophobicContact CB-CG 4.46Å; L44-A70 HydrophobicContact CD2-CB 3.81Å
45S92.9Very high94.2Very high5 Ų555 Ų554%0.03528%0.277CS..  trans-130.7154.3179.7-171.40000111A8 Y43 A47A8-S45 WeakPolarHBondContact O-CB 3.49Å; A8-S45 PolarHBondContact O-OG 3.32Å; Y43-S45 PolarHBondContact O-N 3.25Å; S45-A47 PolarHBondContact OG-N 2.88Å; S45-A47 PolarHBondContact OG-O 3.12Å
46R94.8Very high94.7Very high89 Ų8958.1 Ų58.134%0.33629%0.292SS..SBendtrans-113.78.9176-58.7179.263.8174.34.7111.7S74 A76 W77R46-S74 PolarHBondContact NE-O 3.21Å; R46-A76 HydrophobicContact CB-CB 4.27Å; R46-A76 PolarHBondContact O-N 3.42Å; R46-W77 PolarHBondContact O-N 3.47Å
47A95.3Very high94.9Very high7 Ų753.3 Ų53.36%0.05827%0.274CS..EExtended strand (participates in β ladder)trans-131.6131.6-17600000110.5P9 V10 S45 W77P9-A47 WeakPolarHBondContact CA-O 3.46Å; P9-A47 HydrophobicContact CB-CB 3.76Å; V10-A47 PolarHBondContact N-O 3.2Å; S45-A47 PolarHBondContact OG-N 2.88Å; S45-A47 PolarHBondContact OG-O 3.12Å; A47-W77 CarbonylContact C-O 3.12Å; A47-W77 VanDerWaalsContact CA-O 3.24Å; A47-W77 WeakPolarHBondContact CA-O 3.42Å; A47-W77 HydrophobicContact CB-CB 3.87Å; A47-W77 HydrophobicContact CB-CD2 4.44Å; A47-W77 HydrophobicContact CB-CE3 4.17Å; A47-W77 HydrophobicContact CB-CG 4.38Å
48L96Very high95.2Very high1 Ų148.2 Ų48.21%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-127.1129.1178.3-179.263.4000109.1V10 L12 L50 V65 L75 W77 L78 D79V10-L48 HydrophobicContact CB-CD1 3.95Å; V10-L48 HydrophobicContact CG1-CD1 3.93Å; L12-L48 HydrophobicContact CD1-CD1 3.96Å; L48-L50 HydrophobicContact CD2-CD1 3.93Å; L48-L50 HydrophobicContact CD2-CG 4.47Å; L48-L50 HydrophobicContact CG-CD1 4.2Å; L48-L50 HydrophobicContact CG-CG 4.26Å; L48-V65 HydrophobicContact CD2-CG2 3.88Å; L48-L75 HydrophobicContact CB-CD1 3.89Å; L48-W77 PolarHBondContact N-O 3.38Å; L48-L78 HydrophobicContact CB-CD1 4.15Å; L48-L78 HydrophobicContact CD2-CD1 4.17Å; L48-L78 HydrophobicContact CG-CD1 4.27Å; L48-L78 WeakPolarHBondContact O-CA 3.01Å; L48-D79 PolarHBondContact O-N 3.1Å
49R96.8Very high95.2Very high76 Ų7650.3 Ų50.329%0.28727%0.268SS..EExtended strand (participates in β ladder)trans-116.6128.2175.5-48.6-179.377.1171.84.6109.7P9 V10 L12 D79P9-R49 HydrophobicContact CB-CG 3.92Å; P9-R49 HydrophobicContact CG-CG 4.47Å; V10-R49 PolarHBondContact O-N 3.25Å; L12-R49 CarbonylContact C-O 3.57Å; L12-R49 WeakPolarHBondContact CA-O 3.23Å; L12-R49 WeakPolarHBondContact CB-O 3.47Å; L12-R49 PolarHBondContact N-O 2.88Å; R49-D79 HydrophobicContact CB-CB 4.09Å; R49-D79 HydrophobicContact CG-CB 4.01Å; R49-D79 IonicContact CZ-OD2 3.07Å; R49-D79 IonicContact NE-OD2 3.42Å; R49-D79 PolarHBondContact NE-OD2 2.88Å; R49-D79 VanDerWaalsContact NE-OD2 3.07Å; R49-D79 IonicContact NH2-OD2 3.32Å; R49-D79 PolarHBondContact NH2-OD2 2.98Å
50L97.3Very high95.3Very high0 Ų046.7 Ų46.70%024%0.241CC..  trans-130.122.6179.7-73.3162.4000109.5L12 L17 L20 L48 N53 I55 L78 D79 L80 N83L12-L50 HydrophobicContact CB-CD2 3.91Å; L12-L50 HydrophobicContact CD1-CD2 4.17Å; L17-L50 HydrophobicContact CD1-CD2 3.91Å; L20-L50 HydrophobicContact CD2-CD1 3.75Å; L20-L50 HydrophobicContact CD2-CD2 4.31Å; L48-L50 HydrophobicContact CD2-CD1 3.93Å; L48-L50 HydrophobicContact CD2-CG 4.47Å; L48-L50 HydrophobicContact CG-CD1 4.2Å; L48-L50 HydrophobicContact CG-CG 4.26Å; L50-N53 PolarHBondContact O-ND2 3.38Å; L50-I55 HydrophobicContact CB-CD1 4.11Å; L50-I55 HydrophobicContact CD2-CD1 4.38Å; L50-L78 HydrophobicContact CD1-CD1 4.39Å; L50-D79 CarbonylContact C-O 3.52Å; L50-D79 WeakPolarHBondContact CA-O 3.17Å; L50-D79 PolarHBondContact N-O 3.4Å; L50-L80 HydrophobicContact CB-CD2 3.98Å; L50-L80 HydrophobicContact CD1-CD2 3.93Å; L50-N83 PolarHBondContact O-ND2 2.88Å
51S97.6Very high95.4Very high4 Ų440.3 Ų40.33%0.02821%0.212CC..  trans-74.9157.6-173.251.60000113.3S13 F14 N53 D79 S81S13-S51 CarbonylContact C-O 3.54Å; S13-S51 WeakPolarHBondContact CA-O 3.35Å; S13-S51 WeakPolarHBondContact CB-O 3.39Å; S13-S51 PolarHBondContact OG-N 2.97Å; S13-S51 VanDerWaalsContact OG-N 3.1Å; S13-S51 PolarHBondContact OG-O 3Å; S13-S51 PolarHBondContact OG-OG 3.02Å; F14-S51 PolarHBondContact N-O 3.26Å; F14-S51 VanDerWaalsContact N-O 3.1Å; S51-N53 PolarHBondContact O-ND2 3.29Å; S51-D79 WeakPolarHBondContact CB-OD1 3.43Å; S51-D79 PolarHBondContact N-O 3.27Å; S51-D79 PolarHBondContact OG-OD2 2.83Å; S51-D79 VanDerWaalsContact OG-OD2 3.1Å; S51-S81 CarbonylContact C-O 3.39Å; S51-S81 WeakPolarHBondContact CA-O 3.21Å; S51-S81 WeakPolarHBondContact CB-O 3.41Å; S51-S81 WeakPolarHBondContact CB-OG 3.49Å
52N98.1Very high95.6Very high55 Ų5539.4 Ų39.429%0.29420%0.198SC..SBendtrans57.150.4-178.6-61.1-94000112.2F14 S81 F82F14-N52 VanDerWaalsContact CA-O 3.31Å; F14-N52 WeakPolarHBondContact CA-O 3.38Å; F14-N52 HydrophobicContact CD1-CB 3.46Å; F14-N52 VanDerWaalsContact CD1-CB 3.46Å; F14-N52 HydrophobicContact CD2-CB 3.97Å; F14-N52 HydrophobicContact CE1-CB 3.34Å; F14-N52 WeakPolarHBondContact CE1-OD1 3.4Å; F14-N52 HydrophobicContact CE2-CB 3.87Å; F14-N52 HydrophobicContact CG-CB 3.78Å; F14-N52 HydrophobicContact CZ-CB 3.57Å; F14-N52 VanDerWaalsContact CZ-ND2 3.28Å; F14-N52 WeakPolarHBondContact CZ-ND2 3.08Å; F14-N52 PolarHBondContact N-O 3.15Å; N52-S81 PolarHBondContact N-O 2.72Å; N52-F82 WeakPolarHBondContact CA-O 3.38Å; N52-F82 HydrophobicContact CB-CB 4.43Å; N52-F82 PolarHBondContact N-O 3.11Å
53N97.6Very high95.7Very high12 Ų1240.9 Ų40.96%0.06421%0.206CC..SBendtrans-123.4-168.4172.2-75-59000109L12 R15 S16 L17 L50 S51 I55 F82 N83L12-N53 PolarHBondContact O-ND2 3.28Å; R15-N53 WeakPolarHBondContact CA-OD1 3.31Å; R15-N53 PolarHBondContact N-OD1 3.29Å; S16-N53 PolarHBondContact N-OD1 3.18Å; L17-N53 HydrophobicContact CB-CB 4.01Å; L17-N53 WeakPolarHBondContact CG-OD1 3.33Å; L17-N53 PolarHBondContact N-OD1 3.3Å; L50-N53 PolarHBondContact O-ND2 3.38Å; S51-N53 PolarHBondContact O-ND2 3.29Å; N53-I55 HydrophobicContact CB-CD1 4.04Å; N53-I55 HydrophobicContact CB-CG1 4.1Å; N53-F82 PolarHBondContact N-O 3.41Å; N53-N83 WeakPolarHBondContact CA-OD1 3.45Å; N53-N83 WeakPolarHBondContact CB-OD1 3.38Å; N53-N83 PolarHBondContact O-OD1 3.27Å
54S97.8Very high95.9Very high40 Ų4039.5 Ų39.528%0.2820%0.201SC..  trans-118.131.2177.1-75.40000112.1L17 M56 K84L17-S54 CarbonylContact O-C 3.24Å; L17-S54 VanDerWaalsContact O-C 3.24Å; L17-S54 VanDerWaalsContact O-CA 3.28Å; L17-S54 WeakPolarHBondContact O-CA 3.14Å; L17-S54 PolarHBondContact O-N 3.25Å; S54-M56 PolarHBondContact O-N 2.69Å; S54-K84 WeakPolarHBondContact OG-CE 3.46Å; S54-K84 PolarHBondContact OG-NZ 3.04Å
55I97.5Very high96.1Very high0 Ų035.2 Ų35.20%018%0.178CC..  trans-68.6126.3-177.6-60.6160.9000109.3L17 L20 L50 N53 D57 L58 N83 K84 L85L17-I55 HydrophobicContact CB-CD1 4.41Å; L17-I55 HydrophobicContact CB-CG1 4.18Å; L17-I55 PolarHBondContact O-N 3.25Å; L20-I55 HydrophobicContact CD2-CD1 3.71Å; L20-I55 HydrophobicContact CD2-CG1 4.39Å; L20-I55 HydrophobicContact CD2-CG2 4.28Å; L20-I55 HydrophobicContact CG-CG2 4.36Å; L50-I55 HydrophobicContact CB-CD1 4.11Å; L50-I55 HydrophobicContact CD2-CD1 4.38Å; N53-I55 HydrophobicContact CB-CD1 4.04Å; N53-I55 HydrophobicContact CB-CG1 4.1Å; I55-D57 WeakPolarHBondContact CG2-O 3.49Å; I55-L58 HydrophobicContact CG2-CD2 4.21Å; I55-N83 HydrophobicContact CB-CB 4.39Å; I55-N83 WeakPolarHBondContact CB-OD1 3.41Å; I55-N83 PolarHBondContact N-OD1 3.11Å; I55-N83 VanDerWaalsContact N-OD1 3.09Å; I55-K84 CarbonylContact O-C 3.54Å; I55-K84 WeakPolarHBondContact O-CA 3.22Å; I55-K84 PolarHBondContact O-N 2.89Å; I55-L85 HydrophobicContact CG2-CD2 4.21Å; I55-L85 PolarHBondContact O-N 3.44Å
56M96.2Very high96.2Very high106 Ų10637.2 Ų37.252%0.52219%0.193SC..  trans-103.3-26.7-177.2-66.4-179.7-73.300113.5S54 K84S54-M56 PolarHBondContact O-N 2.69Å; M56-K84 HydrophobicContact CG-CB 3.87Å; M56-K84 HydrophobicContact CG-CD 4.45Å
57D95.2Very high96.2Very high57 Ų5737 Ų3731%0.30520%0.196SC..  trans-142.9165.8179.164.176.8000110I55 C59I55-D57 WeakPolarHBondContact CG2-O 3.49Å; D57-C59 WeakPolarHBondContact OD1-CB 3.4Å; D57-C59 PolarHBondContact OD1-N 3.29Å; D57-C59 PolarHBondContact OD1-SG 2.84Å
58L96.3Very high96.2Very high2 Ų237.1 Ų37.11%0.0119%0.194CC..  trans-108.528.8-179-59.8178000111.7L20 I55 D60 L61 L80 L85 D89 V91 L92L20-L58 HydrophobicContact CD1-CB 4.3Å; L20-L58 HydrophobicContact CD1-CD2 4.01Å; I55-L58 HydrophobicContact CG2-CD2 4.21Å; L58-D60 PolarHBondContact O-N 3.17Å; L58-L61 HydrophobicContact CB-CB 4.27Å; L58-L61 HydrophobicContact CB-CD2 4.46Å; L58-L61 HydrophobicContact CD1-CD2 4.34Å; L58-L61 WeakPolarHBondContact O-CB 3.33Å; L58-L61 PolarHBondContact O-N 3.21Å; L58-L61 VanDerWaalsContact O-N 3.13Å; L58-L80 HydrophobicContact CD1-CD1 3.8Å; L58-L80 HydrophobicContact CD2-CD1 4Å; L58-L80 HydrophobicContact CD2-CD2 3.83Å; L58-L85 HydrophobicContact CD1-CD1 4.43Å; L58-L85 HydrophobicContact CD2-CD1 4.35Å; L58-L85 HydrophobicContact CD2-CD2 3.95Å; L58-L85 HydrophobicContact CG-CD2 3.96Å; L58-D89 HydrophobicContact CB-CB 4.05Å; L58-D89 HydrophobicContact CD1-CB 4.01Å; L58-D89 HydrophobicContact CG-CB 4.29Å; L58-V91 HydrophobicContact CB-CG1 3.55Å; L58-V91 HydrophobicContact CD1-CG1 4.26Å; L58-L92 HydrophobicContact CD1-CD1 3.77Å; L58-L92 HydrophobicContact CD1-CD2 3.72Å; L58-L92 HydrophobicContact CD1-CG 3.67Å
59C93Very high96.1Very high74 Ų7437 Ų3750%0.519%0.194SC..THydrogen-bonded Turntrans-54.7138.2168.3-61.80000108.9L20 D57 L61L20-C59 WeakPolarHBondContact CD1-O 3.46Å; D57-C59 WeakPolarHBondContact OD1-CB 3.4Å; D57-C59 PolarHBondContact OD1-N 3.29Å; D57-C59 PolarHBondContact OD1-SG 2.84Å; C59-L61 VanDerWaalsContact C-N 3.26Å; C59-L61 PolarHBondContact O-N 2.68Å
60D94.7Very high96Very high55 Ų5534.7 Ų34.729%0.29419%0.191SC..THydrogen-bonded Turntrans68.113.2-178.8-50.6-54.6000115.8T21 L58 H62 Q63 T64T21-D60 HydrophobicContact CG2-CB 4.09Å; L58-D60 PolarHBondContact O-N 3.17Å; D60-H62 VanDerWaalsContact C-N 3.31Å; D60-H62 PolarHBondContact O-N 3.44Å; D60-Q63 VanDerWaalsContact CA-OE1 3.27Å; D60-Q63 HydrophobicContact CB-CB 4.27Å; D60-Q63 WeakPolarHBondContact O-CB 3.48Å; D60-Q63 PolarHBondContact O-N 3.11Å; D60-Q63 VanDerWaalsContact O-N 3.09Å; D60-Q63 PolarHBondContact O-OE1 2.68Å; D60-T64 PolarHBondContact O-N 2.84Å; D60-T64 PolarHBondContact O-OG1 3.05Å
61L96.6Very high95.9Very high0 Ų040.5 Ų40.50%022%0.218CC..Hα-helixtrans-56.9-43178.5-178.365.7000112.6L20 L58 C59 Q63 T64 V65 L78 V91 L92 L95L20-L61 HydrophobicContact CD1-CB 3.66Å; L20-L61 HydrophobicContact CD1-CD1 3.78Å; L20-L61 HydrophobicContact CD1-CG 4.33Å; L58-L61 HydrophobicContact CB-CB 4.27Å; L58-L61 HydrophobicContact CB-CD2 4.46Å; L58-L61 HydrophobicContact CD1-CD2 4.34Å; L58-L61 WeakPolarHBondContact O-CB 3.33Å; L58-L61 PolarHBondContact O-N 3.21Å; L58-L61 VanDerWaalsContact O-N 3.13Å; C59-L61 VanDerWaalsContact C-N 3.26Å; C59-L61 PolarHBondContact O-N 2.68Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 2.64Å; L61-T64 PolarHBondContact O-N 3.1Å; L61-V65 HydrophobicContact CD1-CG2 4.03Å; L61-V65 HydrophobicContact CG-CG2 4.23Å; L61-V65 WeakPolarHBondContact O-CB 3.38Å; L61-V65 WeakPolarHBondContact O-CG2 3.48Å; L61-V65 PolarHBondContact O-N 3.5Å; L61-L78 HydrophobicContact CD2-CD2 4.21Å; L61-V91 HydrophobicContact CB-CG1 4.09Å; L61-V91 HydrophobicContact CB-CG2 4.03Å; L61-V91 HydrophobicContact CD2-CG1 3.83Å; L61-V91 HydrophobicContact CD2-CG2 4.47Å; L61-L92 HydrophobicContact CD2-CD2 3.88Å; L61-L95 HydrophobicContact CD2-CD1 4.11Å
62H95.4Very high95.7Very high58 Ų5842.1 Ų42.127%0.26923%0.229SC..Hα-helixtrans-61.1-41.5176.8-76.5115.8000112.4D60 S66 V91 E94D60-H62 VanDerWaalsContact C-N 3.31Å; D60-H62 PolarHBondContact O-N 3.44Å; H62-S66 WeakPolarHBondContact O-CB 3.27Å; H62-S66 PolarHBondContact O-N 3.31Å; H62-S66 PolarHBondContact O-OG 3.45Å; H62-V91 WeakPolarHBondContact CE1-CG2 3.33Å; H62-V91 WeakPolarHBondContact ND1-CG2 3.41Å; H62-E94 VanDerWaalsContact CE1-CD 3.5Å; H62-E94 IonicContact CE1-OE2 3.63Å; H62-E94 PolarHBondContact CE1-OE2 3.2Å; H62-E94 IonicContact ND1-OE2 2.95Å; H62-E94 IonicContact NE2-OE2 2.69Å
63Q95.9Very high95.5Very high96 Ų9644.6 Ų44.645%0.44925%0.25SS..Hα-helixtrans-66.3-45.1178.9-66.579.3-17.500109.9W24 D60 L61 S66 H67W24-Q63 HydrophobicContact CH2-CB 4.22Å; W24-Q63 HydrophobicContact CZ2-CB 3.69Å; D60-Q63 VanDerWaalsContact CA-OE1 3.27Å; D60-Q63 HydrophobicContact CB-CB 4.27Å; D60-Q63 WeakPolarHBondContact O-CB 3.48Å; D60-Q63 PolarHBondContact O-N 3.11Å; D60-Q63 VanDerWaalsContact O-N 3.09Å; D60-Q63 PolarHBondContact O-OE1 2.68Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 2.64Å; Q63-S66 CarbonylContact O-C 3.48Å; Q63-S66 PolarHBondContact O-N 3.11Å; Q63-H67 VanDerWaalsContact O-CB 3.29Å; Q63-H67 WeakPolarHBondContact O-CB 3.46Å; Q63-H67 PolarHBondContact O-N 2.76Å
64T96.2Very high95.3Very high0 Ų044.9 Ų44.90%025%0.253CS..Hα-helixtrans-63.6-45176-630000111.9L20 A23 W24 D60 L61 S66 H67 F68L20-T64 PolarHBondContact O-OG1 3.46Å; L20-T64 VanDerWaalsContact O-OG1 3.13Å; A23-T64 HydrophobicContact CB-CG2 4.35Å; W24-T64 PolarHBondContact NE1-OG1 2.78Å; D60-T64 PolarHBondContact O-N 2.84Å; D60-T64 PolarHBondContact O-OG1 3.05Å; L61-T64 PolarHBondContact O-N 3.1Å; T64-S66 VanDerWaalsContact C-N 3.3Å; T64-S66 PolarHBondContact O-N 3.12Å; T64-H67 WeakPolarHBondContact O-CB 3.22Å; T64-H67 PolarHBondContact O-N 3.39Å; T64-F68 HydrophobicContact CG2-CD2 4.02Å; T64-F68 HydrophobicContact CG2-CE2 4.07Å; T64-F68 VanDerWaalsContact O-CD2 3.27Å; T64-F68 WeakPolarHBondContact O-CD2 3.44Å; T64-F68 PolarHBondContact O-N 2.78Å
65V96.2Very high95.3Very high2 Ų243 Ų431%0.01224%0.24CC..Hα-helixtrans-62.7-40.8175.1178.80000110.3L48 L61 H67 F68 L69 P72 L75L48-V65 HydrophobicContact CD2-CG2 3.88Å; L61-V65 HydrophobicContact CD1-CG2 4.03Å; L61-V65 HydrophobicContact CG-CG2 4.23Å; L61-V65 WeakPolarHBondContact O-CB 3.38Å; L61-V65 WeakPolarHBondContact O-CG2 3.48Å; L61-V65 PolarHBondContact O-N 3.5Å; V65-H67 VanDerWaalsContact C-N 3.34Å; V65-H67 PolarHBondContact O-N 2.67Å; V65-F68 PolarHBondContact O-N 3.36Å; V65-L69 HydrophobicContact CG1-CB 4.46Å; V65-L69 HydrophobicContact CG1-CD1 3.79Å; V65-L69 HydrophobicContact CG1-CG 4.17Å; V65-L69 WeakPolarHBondContact O-CB 3.26Å; V65-L69 PolarHBondContact O-N 2.9Å; V65-P72 HydrophobicContact CG1-CB 3.79Å; V65-L75 HydrophobicContact CG1-CD2 4.23Å; V65-L75 HydrophobicContact CG2-CD2 4.07Å
66S95.7Very high95.2Very high48 Ų4843 Ų4334%0.33624%0.24SC..Hα-helixtrans-70.2-27.9178.4-60.10000114.4K42 H62 Q63 T64K42-S66 WeakPolarHBondContact CE-O 3.39Å; K42-S66 PolarHBondContact NZ-O 2.89Å; H62-S66 WeakPolarHBondContact O-CB 3.27Å; H62-S66 PolarHBondContact O-N 3.31Å; H62-S66 PolarHBondContact O-OG 3.45Å; Q63-S66 CarbonylContact O-C 3.48Å; Q63-S66 PolarHBondContact O-N 3.11Å; T64-S66 VanDerWaalsContact C-N 3.3Å; T64-S66 PolarHBondContact O-N 3.12Å
67H95.4Very high95.3Very high85 Ų8541.2 Ų41.239%0.39423%0.227SC..Hα-helixtrans-67.4-45173.8-179.590000110.5W24 Q63 T64 V65W24-H67 PolarHBondContact O-NE2 2.83Å; Q63-H67 VanDerWaalsContact O-CB 3.29Å; Q63-H67 WeakPolarHBondContact O-CB 3.46Å; Q63-H67 PolarHBondContact O-N 2.76Å; T64-H67 WeakPolarHBondContact O-CB 3.22Å; T64-H67 PolarHBondContact O-N 3.39Å; V65-H67 VanDerWaalsContact C-N 3.34Å; V65-H67 PolarHBondContact O-N 2.67Å
68F94.9Very high95.5Very high8 Ų838.5 Ų38.54%0.03521%0.213CC..Hα-helixtrans-89.2-41.9-175.3-74.6-67.8000114.8V10 L12 A23 P28 Y43 T64 V65V10-F68 HydrophobicContact CG1-CB 4.36Å; V10-F68 HydrophobicContact CG1-CD1 4.2Å; V10-F68 HydrophobicContact CG1-CG 4.31Å; L12-F68 HydrophobicContact CD1-CD2 3.82Å; L12-F68 HydrophobicContact CD1-CE1 4.2Å; L12-F68 HydrophobicContact CD1-CE2 3.43Å; L12-F68 VanDerWaalsContact CD1-CE2 3.43Å; L12-F68 HydrophobicContact CD1-CG 4.36Å; L12-F68 HydrophobicContact CD1-CZ 3.64Å; L12-F68 HydrophobicContact CD2-CE1 4.36Å; L12-F68 HydrophobicContact CD2-CZ 4.06Å; L12-F68 HydrophobicContact CG-CZ 4.49Å; A23-F68 HydrophobicContact CB-CE2 4.05Å; A23-F68 HydrophobicContact CB-CZ 4.47Å; A23-F68 VanDerWaalsContact O-CZ 3.26Å; A23-F68 WeakPolarHBondContact O-CZ 3.29Å; P28-F68 HydrophobicContact CG-CD1 4.44Å; P28-F68 HydrophobicContact CG-CE1 4.24Å; Y43-F68 WeakPolarHBondContact CB-O 3.34Å; Y43-F68 HydrophobicContact CD2-CB 4.35Å; Y43-F68 HydrophobicContact CD2-CD1 4.08Å; Y43-F68 VanDerWaalsContact CD2-O 3.29Å; Y43-F68 WeakPolarHBondContact CD2-O 3.06Å; Y43-F68 AromaticContact CE2-CD1 3.89Å; Y43-F68 HydrophobicContact CE2-CD1 3.89Å; Y43-F68 PolarHBondContact N-O 3.09Å; T64-F68 HydrophobicContact CG2-CD2 4.02Å; T64-F68 HydrophobicContact CG2-CE2 4.07Å; T64-F68 VanDerWaalsContact O-CD2 3.27Å; T64-F68 WeakPolarHBondContact O-CD2 3.44Å; T64-F68 PolarHBondContact O-N 2.78Å; V65-F68 PolarHBondContact O-N 3.36Å
69L94.8Very high95.6Very high0 Ų038.5 Ų38.50%021%0.213CC..BIsolated β-bridgetrans-98.2138.2-169.1-56-169.6000112V10 V65 E71 L75V10-L69 HydrophobicContact CB-CD2 4.49Å; V10-L69 HydrophobicContact CG2-CD2 3.68Å; V65-L69 HydrophobicContact CG1-CB 4.46Å; V65-L69 HydrophobicContact CG1-CD1 3.79Å; V65-L69 HydrophobicContact CG1-CG 4.17Å; V65-L69 WeakPolarHBondContact O-CB 3.26Å; V65-L69 PolarHBondContact O-N 2.9Å; L69-E71 VanDerWaalsContact C-N 3.31Å; L69-L75 HydrophobicContact CD1-CB 4.34Å; L69-L75 HydrophobicContact CD1-CD1 3.65Å
70A94.8Very high95.8Very high26 Ų2635 Ų3522%0.21519%0.189CC..SBendtrans-66.2-35.3174.300000111.9N38 K42 Y43 L44N38-A70 HydrophobicContact CB-CB 4.43Å; K42-A70 HydrophobicContact CB-CB 3.98Å; Y43-A70 PolarHBondContact O-N 2.85Å; L44-A70 HydrophobicContact CD2-CB 3.81Å
71E93.9Very high96Very high123 Ų12332.5 Ų32.558%0.57518%0.176SC*.  trans-125.381.5178-68.9-178.8-169.500110.9L69 S73 S74L69-E71 VanDerWaalsContact C-N 3.31Å; E71-S73 VanDerWaalsContact C-N 3.29Å; E71-S73 PolarHBondContact O-N 3.48Å; E71-S74 WeakPolarHBondContact CB-OG 3.05Å; E71-S74 WeakPolarHBondContact O-CB 3.3Å; E71-S74 PolarHBondContact O-N 3.25Å; E71-S74 PolarHBondContact O-OG 3.34Å
72P94.1Very high96.1Very high38 Ų3837.3 Ų37.325%0.24720%0.197CC..G310 helixtrans-58-37.7-175.8-3040.2000114V65 S74 L75V65-P72 HydrophobicContact CG1-CB 3.79Å; P72-S74 PolarHBondContact O-N 3.35Å; P72-L75 WeakPolarHBondContact O-CB 3.49Å; P72-L75 PolarHBondContact O-N 3.45Å
73S93.7Very high96.3Very high107 Ų10734.9 Ų34.975%0.74819%0.186SC*.G310 helixtrans-66.7-17.5178.154.30000113.6E71 L75E71-S73 VanDerWaalsContact C-N 3.29Å; E71-S73 PolarHBondContact O-N 3.48Å; S73-L75 VanDerWaalsContact C-N 3.35Å
74S93.6Very high96.4Very high17 Ų1735.2 Ų35.212%0.11919%0.186CC..G310 helixtrans-87.2-3.5179.281.50000113.8R46 E71 P72 A76R46-S74 PolarHBondContact NE-O 3.21Å; E71-S74 WeakPolarHBondContact CB-OG 3.05Å; E71-S74 WeakPolarHBondContact O-CB 3.3Å; E71-S74 PolarHBondContact O-N 3.25Å; E71-S74 PolarHBondContact O-OG 3.34Å; P72-S74 PolarHBondContact O-N 3.35Å; S74-A76 PolarHBondContact O-N 3.3Å; S74-A76 VanDerWaalsContact O-N 3.14Å
75L96.6Very high96.5Very high2 Ų235.4 Ų35.41%0.0119%0.187CC..  trans-54.1117.8-179.4-178.273.2000109.9L48 V65 L69 P72 S73 L78 L95 G97 L98L48-L75 HydrophobicContact CB-CD1 3.89Å; V65-L75 HydrophobicContact CG1-CD2 4.23Å; V65-L75 HydrophobicContact CG2-CD2 4.07Å; L69-L75 HydrophobicContact CD1-CB 4.34Å; L69-L75 HydrophobicContact CD1-CD1 3.65Å; P72-L75 WeakPolarHBondContact O-CB 3.49Å; P72-L75 PolarHBondContact O-N 3.45Å; S73-L75 VanDerWaalsContact C-N 3.35Å; L75-L78 HydrophobicContact CD2-CB 4.46Å; L75-L95 HydrophobicContact CD2-CD1 4.1Å; L75-L95 HydrophobicContact CD2-CD2 4.28Å; L75-G97 CarbonylContact O-C 3.38Å; L75-L98 WeakPolarHBondContact O-CA 3.46Å; L75-L98 PolarHBondContact O-N 3.33Å
76A97.1Very high96.5Very high0 Ų038.1 Ų38.10%021%0.206CC..  trans-115.2-22.8-174.300000112.9M5 R46 S74 R99 V100M5-A76 HydrophobicContact CE-CB 3.62Å; M5-A76 HydrophobicContact SD-CB 4.07Å; R46-A76 HydrophobicContact CB-CB 4.27Å; R46-A76 PolarHBondContact O-N 3.42Å; S74-A76 PolarHBondContact O-N 3.3Å; S74-A76 VanDerWaalsContact O-N 3.14Å; A76-R99 HydrophobicContact CB-CB 4.46Å; A76-R99 HydrophobicContact CB-CG 4.39Å; A76-R99 WeakPolarHBondContact O-CA 3.37Å; A76-R99 WeakPolarHBondContact O-CB 3.31Å; A76-R99 PolarHBondContact O-N 3.25Å; A76-V100 PolarHBondContact O-N 2.88Å
77W97.6Very high96.6Very high67 Ų6738.8 Ų38.825%0.25420%0.204SC..EExtended strand (participates in β ladder)trans-132.6120.5177.7-176.96.6000110.9R46 A47 L48 V100 Y102R46-W77 PolarHBondContact O-N 3.47Å; A47-W77 CarbonylContact C-O 3.12Å; A47-W77 VanDerWaalsContact CA-O 3.24Å; A47-W77 WeakPolarHBondContact CA-O 3.42Å; A47-W77 HydrophobicContact CB-CB 3.87Å; A47-W77 HydrophobicContact CB-CD2 4.44Å; A47-W77 HydrophobicContact CB-CE3 4.17Å; A47-W77 HydrophobicContact CB-CG 4.38Å; L48-W77 PolarHBondContact N-O 3.38Å; W77-V100 WeakPolarHBondContact CA-O 3.24Å; W77-V100 HydrophobicContact CB-CB 4.24Å; W77-V100 HydrophobicContact CG-CB 3.97Å; W77-V100 HydrophobicContact CG-CG1 4.15Å; W77-Y102 AromaticContact CE2-CE2 3.92Å; W77-Y102 AromaticContact CZ2-CE2 3.71Å; W77-Y102 HydrophobicContact CZ2-CE2 3.71Å; W77-Y102 AromaticContact NE1-CD2 3.73Å; W77-Y102 AromaticContact NE1-CE2 3.55Å; W77-Y102 AromaticContact NE1-CZ 3.96Å
78L98.3Very high96.6Very high0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-121.1121.7174.4-178.357.7000110L48 L50 L61 L75 L80 L92 L95 L98 V100 L101 Y102L48-L78 HydrophobicContact CB-CD1 4.15Å; L48-L78 HydrophobicContact CD2-CD1 4.17Å; L48-L78 HydrophobicContact CG-CD1 4.27Å; L48-L78 WeakPolarHBondContact O-CA 3.01Å; L50-L78 HydrophobicContact CD1-CD1 4.39Å; L61-L78 HydrophobicContact CD2-CD2 4.21Å; L75-L78 HydrophobicContact CD2-CB 4.46Å; L78-L80 HydrophobicContact CD1-CG 4.21Å; L78-L80 HydrophobicContact CD2-CD1 3.76Å; L78-L80 HydrophobicContact CD2-CG 4.24Å; L78-L80 HydrophobicContact CG-CD1 3.98Å; L78-L80 HydrophobicContact CG-CG 3.94Å; L78-L92 HydrophobicContact CD2-CD2 3.67Å; L78-L95 HydrophobicContact CD2-CD1 3.9Å; L78-L98 HydrophobicContact CB-CD1 3.75Å; L78-V100 PolarHBondContact N-O 2.85Å; L78-L101 HydrophobicContact CB-CD1 4.2Å; L78-L101 HydrophobicContact CD2-CD1 4.22Å; L78-L101 HydrophobicContact CG-CD1 4.27Å; L78-L101 WeakPolarHBondContact O-CA 3.43Å; L78-Y102 PolarHBondContact O-N 2.82Å
79D98.4Very high96.7Very high2 Ų236 Ų361%0.01119%0.192CC..EExtended strand (participates in β ladder)trans-108.6104.7176.4179.711.6000110.2L48 R49 L50 S51 S81 Y102L48-D79 PolarHBondContact O-N 3.1Å; R49-D79 HydrophobicContact CB-CB 4.09Å; R49-D79 HydrophobicContact CG-CB 4.01Å; R49-D79 IonicContact CZ-OD2 3.07Å; R49-D79 IonicContact NE-OD2 3.42Å; R49-D79 PolarHBondContact NE-OD2 2.88Å; R49-D79 VanDerWaalsContact NE-OD2 3.07Å; R49-D79 IonicContact NH2-OD2 3.32Å; R49-D79 PolarHBondContact NH2-OD2 2.98Å; L50-D79 CarbonylContact C-O 3.52Å; L50-D79 WeakPolarHBondContact CA-O 3.17Å; L50-D79 PolarHBondContact N-O 3.4Å; S51-D79 WeakPolarHBondContact CB-OD1 3.43Å; S51-D79 PolarHBondContact N-O 3.27Å; S51-D79 PolarHBondContact OG-OD2 2.83Å; S51-D79 VanDerWaalsContact OG-OD2 3.1Å; D79-S81 WeakPolarHBondContact OD1-CB 3.37Å; D79-S81 PolarHBondContact OD1-N 2.96Å; D79-S81 VanDerWaalsContact OD1-N 3.17Å; D79-S81 PolarHBondContact OD1-OG 3.33Å; D79-Y102 HydrophobicContact CB-CD2 4.19Å
80L98.6Very high96.6Very high0 Ų043 Ų430%022%0.223CC..  trans-111.916.8177.1-69.8165.8000111.5L50 L58 L78 N83 L85 L92 L101 Y102 L103 N106L50-L80 HydrophobicContact CB-CD2 3.98Å; L50-L80 HydrophobicContact CD1-CD2 3.93Å; L58-L80 HydrophobicContact CD1-CD1 3.8Å; L58-L80 HydrophobicContact CD2-CD1 4Å; L58-L80 HydrophobicContact CD2-CD2 3.83Å; L78-L80 HydrophobicContact CD1-CG 4.21Å; L78-L80 HydrophobicContact CD2-CD1 3.76Å; L78-L80 HydrophobicContact CD2-CG 4.24Å; L78-L80 HydrophobicContact CG-CD1 3.98Å; L78-L80 HydrophobicContact CG-CG 3.94Å; L80-N83 PolarHBondContact O-ND2 3.06Å; L80-L85 HydrophobicContact CB-CD1 4.11Å; L80-L85 HydrophobicContact CD1-CD1 4.17Å; L80-L92 HydrophobicContact CD1-CD2 4.12Å; L80-L101 HydrophobicContact CD1-CD1 4.38Å; L80-Y102 CarbonylContact C-O 3.52Å; L80-Y102 WeakPolarHBondContact CA-O 3.24Å; L80-Y102 WeakPolarHBondContact CB-O 3.34Å; L80-Y102 PolarHBondContact N-O 2.97Å; L80-L103 HydrophobicContact CB-CD2 4.07Å; L80-L103 HydrophobicContact CD1-CD2 4.04Å; L80-N106 PolarHBondContact O-ND2 3.33Å
81S98.7Very high96.7Very high4 Ų442.6 Ų42.63%0.02822%0.218CC..  trans-62.6153.5-17860.10000112.8S51 N52 D79 N83 Y102 H104S51-S81 CarbonylContact C-O 3.39Å; S51-S81 WeakPolarHBondContact CA-O 3.21Å; S51-S81 WeakPolarHBondContact CB-O 3.41Å; S51-S81 WeakPolarHBondContact CB-OG 3.49Å; N52-S81 PolarHBondContact N-O 2.72Å; D79-S81 WeakPolarHBondContact OD1-CB 3.37Å; D79-S81 PolarHBondContact OD1-N 2.96Å; D79-S81 VanDerWaalsContact OD1-N 3.17Å; D79-S81 PolarHBondContact OD1-OG 3.33Å; S81-N83 PolarHBondContact O-N 2.85Å; S81-N83 PolarHBondContact O-ND2 3.44Å; S81-Y102 PolarHBondContact N-O 3.19Å; S81-H104 CarbonylContact C-O 3.39Å; S81-H104 WeakPolarHBondContact CA-O 3.42Å; S81-H104 WeakPolarHBondContact CB-CD2 3.49Å; S81-H104 WeakPolarHBondContact CB-NE2 3.24Å; S81-H104 WeakPolarHBondContact CB-O 3.31Å
82F98.6Very high96.9Very high100 Ų10036.8 Ų36.844%0.43919%0.19SC..SBendtrans54.253.9179.3-55.1-74.5000112.6N52 N53 H104 G105N52-F82 WeakPolarHBondContact CA-O 3.38Å; N52-F82 HydrophobicContact CB-CB 4.43Å; N52-F82 PolarHBondContact N-O 3.11Å; N53-F82 PolarHBondContact N-O 3.41Å; F82-H104 AromaticContact CE2-CE1 3.34Å; F82-H104 WeakPolarHBondContact CE2-CE1 3.15Å; F82-H104 AromaticContact CE2-ND1 3.86Å; F82-H104 AromaticContact CZ-CE1 3.72Å; F82-H104 AromaticContact CZ-ND1 3.86Å; F82-H104 PolarHBondContact N-O 2.72Å; F82-G105 WeakPolarHBondContact CA-O 3.38Å; F82-G105 PolarHBondContact N-O 3.38Å
83N98.6Very high96.9Very high8 Ų836 Ų364%0.04319%0.186CC..SBendtrans-124-164.3171.8-84.8-71.1000108.9L50 N53 I55 L80 S81 L85 G105 N106L50-N83 PolarHBondContact O-ND2 2.88Å; N53-N83 WeakPolarHBondContact CA-OD1 3.45Å; N53-N83 WeakPolarHBondContact CB-OD1 3.38Å; N53-N83 PolarHBondContact O-OD1 3.27Å; I55-N83 HydrophobicContact CB-CB 4.39Å; I55-N83 WeakPolarHBondContact CB-OD1 3.41Å; I55-N83 PolarHBondContact N-OD1 3.11Å; I55-N83 VanDerWaalsContact N-OD1 3.09Å; L80-N83 PolarHBondContact O-ND2 3.06Å; S81-N83 PolarHBondContact O-N 2.85Å; S81-N83 PolarHBondContact O-ND2 3.44Å; N83-L85 HydrophobicContact CB-CG 4.42Å; N83-G105 PolarHBondContact N-O 3.45Å; N83-N106 VanDerWaalsContact CA-OD1 3.3Å; N83-N106 WeakPolarHBondContact CA-OD1 3.49Å; N83-N106 WeakPolarHBondContact CB-OD1 3.38Å; N83-N106 PolarHBondContact N-OD1 3.3Å; N83-N106 PolarHBondContact O-OD1 3.13Å
84K98.3Very high97Very high103 Ų10336.3 Ų36.345%0.44818%0.175SC..  trans-118.125.4-178.1-60.6-178.2-176172.90112.3S54 I55 M56 S86 N106S54-K84 WeakPolarHBondContact OG-CE 3.46Å; S54-K84 PolarHBondContact OG-NZ 3.04Å; I55-K84 CarbonylContact O-C 3.54Å; I55-K84 WeakPolarHBondContact O-CA 3.22Å; I55-K84 PolarHBondContact O-N 2.89Å; M56-K84 HydrophobicContact CG-CB 3.87Å; M56-K84 HydrophobicContact CG-CD 4.45Å; K84-S86 PolarHBondContact O-N 3.02Å; K84-N106 PolarHBondContact N-OD1 3.4Å
85L98.2Very high97.1Very high3 Ų336 Ų362%0.01617%0.172CC..  trans-63.2121.5-179.6-60174.5000109.5I55 L58 L80 N83 L103 N106 N107 I108I55-L85 HydrophobicContact CG2-CD2 4.21Å; I55-L85 PolarHBondContact O-N 3.44Å; L58-L85 HydrophobicContact CD1-CD1 4.43Å; L58-L85 HydrophobicContact CD2-CD1 4.35Å; L58-L85 HydrophobicContact CD2-CD2 3.95Å; L58-L85 HydrophobicContact CG-CD2 3.96Å; L80-L85 HydrophobicContact CB-CD1 4.11Å; L80-L85 HydrophobicContact CD1-CD1 4.17Å; N83-L85 HydrophobicContact CB-CG 4.42Å; L85-L103 HydrophobicContact CD1-CD2 3.89Å; L85-N106 HydrophobicContact CB-CB 4.18Å; L85-N106 WeakPolarHBondContact CB-OD1 3.11Å; L85-N106 WeakPolarHBondContact CG-OD1 3.45Å; L85-N106 PolarHBondContact N-OD1 3.38Å; L85-N107 CarbonylContact O-C 3.51Å; L85-N107 VanDerWaalsContact O-C 3.27Å; L85-N107 VanDerWaalsContact O-CA 3.3Å; L85-N107 WeakPolarHBondContact O-CA 3.45Å; L85-N107 PolarHBondContact O-N 2.89Å; L85-I108 PolarHBondContact O-N 3.13Å
86S97.3Very high97.1Very high59 Ų5941 Ų4141%0.41320%0.195SC..  trans-90-12.6178.457.70000113.2K84K84-S86 PolarHBondContact O-N 3.02Å
87H96.4Very high97Very high63 Ų6341.7 Ų41.729%0.29220%0.203SC..SBendtrans-153.2162-176.357.3-78.2000112.7D89 E113H87-D89 PolarHBondContact O-N 2.68Å; H87-E113 WeakPolarHBondContact CA-OE2 3.45Å; H87-E113 WeakPolarHBondContact CB-OE1 3.27Å; H87-E113 VanDerWaalsContact CB-OE2 3.24Å; H87-E113 WeakPolarHBondContact CB-OE2 3.21Å
88I96.9Very high97Very high0 Ų038.5 Ų38.50%019%0.191CC..  trans-83.8102.3171.3-55.4177.7000109.2L92 L103 I108 E113 V114 R116 L117I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L103 HydrophobicContact CD1-CD1 4.47Å; I88-L103 HydrophobicContact CG1-CD1 4.28Å; I88-I108 HydrophobicContact CG1-CD1 4.05Å; I88-I108 HydrophobicContact CG1-CG2 4.34Å; I88-E113 HydrophobicContact CB-CB 4.08Å; I88-E113 HydrophobicContact CD1-CB 4.12Å; I88-E113 HydrophobicContact CG1-CB 4.13Å; I88-E113 PolarHBondContact N-OE2 3Å; I88-V114 HydrophobicContact CD1-CB 4.46Å; I88-V114 HydrophobicContact CD1-CG1 3.97Å; I88-R116 WeakPolarHBondContact O-CD 3.16Å; I88-R116 PolarHBondContact O-NH1 3.23Å; I88-L117 HydrophobicContact CD1-CD1 4Å; I88-L117 HydrophobicContact CD1-CG 4.44Å; I88-L117 HydrophobicContact CG2-CD1 4.29Å; I88-L117 HydrophobicContact CG2-CD2 3.7Å; I88-L117 HydrophobicContact CG2-CG 3.93Å
89D95.4Very high97Very high33 Ų3341.3 Ų41.318%0.17620%0.201CC..  trans-63.8145.5-178.2-159.3-47.5000112.4L58 H87 V91 L92L58-D89 HydrophobicContact CB-CB 4.05Å; L58-D89 HydrophobicContact CD1-CB 4.01Å; L58-D89 HydrophobicContact CG-CB 4.29Å; H87-D89 PolarHBondContact O-N 2.68Å; D89-V91 HydrophobicContact CB-CG1 3.96Å; D89-V91 PolarHBondContact O-N 3.01Å; D89-V91 PolarHBondContact OD1-N 3.24Å; D89-L92 WeakPolarHBondContact O-CB 3.24Å; D89-L92 PolarHBondContact O-N 3.14Å
90K94.6Very high97Very high148 Ų14842 Ų4264%0.64321%0.206SC*.G310 helixtrans-63.3-28.2177.6-71.8-176-179.31780112.1L92 C93K90-L92 PolarHBondContact O-N 2.8Å; K90-L92 VanDerWaalsContact O-N 3.1Å; K90-C93 WeakPolarHBondContact O-CA 3.32Å; K90-C93 WeakPolarHBondContact O-CB 3.32Å; K90-C93 PolarHBondContact O-N 3.24Å; K90-C93 PolarHBondContact O-SG 3.25Å; K90-C93 VanDerWaalsContact O-SG 3.38Å
91V96.3Very high97Very high18 Ų1842 Ų4211%0.10921%0.206CC..G310 helixtrans-56.9-28.817874.60000112.4L58 L61 H62 D89 C93 E94L58-V91 HydrophobicContact CB-CG1 3.55Å; L58-V91 HydrophobicContact CD1-CG1 4.26Å; L61-V91 HydrophobicContact CB-CG1 4.09Å; L61-V91 HydrophobicContact CB-CG2 4.03Å; L61-V91 HydrophobicContact CD2-CG1 3.83Å; L61-V91 HydrophobicContact CD2-CG2 4.47Å; H62-V91 WeakPolarHBondContact CE1-CG2 3.33Å; H62-V91 WeakPolarHBondContact ND1-CG2 3.41Å; D89-V91 HydrophobicContact CB-CG1 3.96Å; D89-V91 PolarHBondContact O-N 3.01Å; D89-V91 PolarHBondContact OD1-N 3.24Å; V91-C93 PolarHBondContact O-N 3.27Å; V91-E94 PolarHBondContact O-N 2.81Å
92L97Very high97Very high0 Ų043.9 Ų43.90%021%0.212CC..G310 helixtrans-66.1-24.4175.7-65.7172.9000112.9L58 L61 L78 L80 I88 D89 K90 E94 L95 L101 L117L58-L92 HydrophobicContact CD1-CD1 3.77Å; L58-L92 HydrophobicContact CD1-CD2 3.72Å; L58-L92 HydrophobicContact CD1-CG 3.67Å; L61-L92 HydrophobicContact CD2-CD2 3.88Å; L78-L92 HydrophobicContact CD2-CD2 3.67Å; L80-L92 HydrophobicContact CD1-CD2 4.12Å; I88-L92 HydrophobicContact CG2-CD1 3.88Å; D89-L92 WeakPolarHBondContact O-CB 3.24Å; D89-L92 PolarHBondContact O-N 3.14Å; K90-L92 PolarHBondContact O-N 2.8Å; K90-L92 VanDerWaalsContact O-N 3.1Å; L92-E94 PolarHBondContact O-N 2.88Å; L92-L95 HydrophobicContact CD2-CD1 4.11Å; L92-L95 PolarHBondContact O-N 2.94Å; L92-L101 HydrophobicContact CD1-CD2 4.41Å; L92-L101 HydrophobicContact CD2-CD1 4.44Å; L92-L117 HydrophobicContact CB-CD2 4.3Å
93C95.3Very high97Very high22 Ų2239.1 Ų39.115%0.14919%0.192CC..G310 helixtrans-73-18.5-178.7-570000112.9K90 V91 R116 V119 L120K90-C93 WeakPolarHBondContact O-CA 3.32Å; K90-C93 WeakPolarHBondContact O-CB 3.32Å; K90-C93 PolarHBondContact O-N 3.24Å; K90-C93 PolarHBondContact O-SG 3.25Å; K90-C93 VanDerWaalsContact O-SG 3.38Å; V91-C93 PolarHBondContact O-N 3.27Å; C93-R116 PolarHBondContact SG-O 3.24Å; C93-V119 HydrophobicContact CB-CG1 3.71Å; C93-L120 WeakPolarHBondContact O-CD2 3.46Å
94E95.3Very high97Very high113 Ų11339.6 Ų39.653%0.52819%0.193SC..G310 helixtrans-87.3-12.6-178.6-63.2172.6-14300111.8H62 V91 L92 H96H62-E94 VanDerWaalsContact CE1-CD 3.5Å; H62-E94 IonicContact CE1-OE2 3.63Å; H62-E94 PolarHBondContact CE1-OE2 3.2Å; H62-E94 IonicContact ND1-OE2 2.95Å; H62-E94 IonicContact NE2-OE2 2.69Å; V91-E94 PolarHBondContact O-N 2.81Å; L92-E94 PolarHBondContact O-N 2.88Å; E94-H96 PolarHBondContact O-CD2 3.24Å; E94-H96 VanDerWaalsContact O-CD2 3.25Å; E94-H96 PolarHBondContact O-N 3.05Å
95L96.5Very high97Very high12 Ų1235.7 Ų35.76%0.06318%0.182CC..  trans-79.963.4178.9-56.8177.2000111.3L61 L75 L78 L92 G97 L98 L120L61-L95 HydrophobicContact CD2-CD1 4.11Å; L75-L95 HydrophobicContact CD2-CD1 4.1Å; L75-L95 HydrophobicContact CD2-CD2 4.28Å; L78-L95 HydrophobicContact CD2-CD1 3.9Å; L92-L95 HydrophobicContact CD2-CD1 4.11Å; L92-L95 PolarHBondContact O-N 2.94Å; L95-G97 PolarHBondContact O-N 3Å; L95-L98 HydrophobicContact CB-CB 4.01Å; L95-L98 HydrophobicContact CB-CD2 4.41Å; L95-L98 HydrophobicContact CD1-CD2 4.36Å; L95-L98 WeakPolarHBondContact O-CB 3.3Å; L95-L98 PolarHBondContact O-N 2.84Å; L95-L120 WeakPolarHBondContact O-CD2 3.46Å
96H95.3Very high97Very high106 Ų10635.6 Ų35.649%0.49118%0.182SC..THydrogen-bonded Turntrans-58.9-23.9-173.5-63.7-66.9000114.8E94 L98 H122E94-H96 PolarHBondContact O-CD2 3.24Å; E94-H96 VanDerWaalsContact O-CD2 3.25Å; E94-H96 PolarHBondContact O-N 3.05Å; H96-L98 VanDerWaalsContact C-N 3.28Å; H96-L98 PolarHBondContact O-N 2.84Å; H96-H122 PolarHBondContact O-CD2 3.49Å
97G95.6Very high97.1Very high15 Ų1537.3 Ų37.316%0.15519%0.186CC..THydrogen-bonded Turntrans-76.6-9.2174.300000115L75 L95L75-G97 CarbonylContact O-C 3.38Å; L95-G97 PolarHBondContact O-N 3Å
98L97.8Very high97.2Very high0 Ų034.3 Ų34.30%017%0.172CC..  trans-67.7132.1-171-164.669.2000111.7L75 L78 L95 H96 L101 L120 H122 L123L75-L98 WeakPolarHBondContact O-CA 3.46Å; L75-L98 PolarHBondContact O-N 3.33Å; L78-L98 HydrophobicContact CB-CD1 3.75Å; L95-L98 HydrophobicContact CB-CB 4.01Å; L95-L98 HydrophobicContact CB-CD2 4.41Å; L95-L98 HydrophobicContact CD1-CD2 4.36Å; L95-L98 WeakPolarHBondContact O-CB 3.3Å; L95-L98 PolarHBondContact O-N 2.84Å; H96-L98 VanDerWaalsContact C-N 3.28Å; H96-L98 PolarHBondContact O-N 2.84Å; L98-L101 HydrophobicContact CD2-CB 4Å; L98-L101 HydrophobicContact CD2-CD1 4.28Å; L98-L101 HydrophobicContact CD2-CD2 4.2Å; L98-L101 HydrophobicContact CD2-CG 4.38Å; L98-L120 HydrophobicContact CD2-CD1 4.09Å; L98-H122 CarbonylContact O-C 3.46Å; L98-H122 VanDerWaalsContact O-C 3.23Å; L98-L123 HydrophobicContact CD2-CD1 4.46Å; L98-L123 HydrophobicContact CG-CD1 4.43Å; L98-L123 WeakPolarHBondContact O-CA 3.46Å; L98-L123 PolarHBondContact O-N 2.94Å; L98-L123 VanDerWaalsContact O-N 3.11Å
99R97.9Very high97.2Very high58 Ų5837.8 Ų37.822%0.21920%0.196CC..  trans-119.5-37-177.2-71.2-179.9-179.3-131.4-3112.6D2 M5 A76 H122 H124 S125D2-R99 IonicContact OD2-NH1 3.64Å; D2-R99 PolarHBondContact OD2-NH1 3.2Å; D2-R99 VanDerWaalsContact OD2-NH1 3.11Å; M5-R99 HydrophobicContact CE-CB 4.37Å; A76-R99 HydrophobicContact CB-CB 4.46Å; A76-R99 HydrophobicContact CB-CG 4.39Å; A76-R99 WeakPolarHBondContact O-CA 3.37Å; A76-R99 WeakPolarHBondContact O-CB 3.31Å; A76-R99 PolarHBondContact O-N 3.25Å; R99-H122 WeakPolarHBondContact CA-O 3.32Å; R99-H122 HydrophobicContact CG-CB 4.01Å; R99-H124 PolarHBondContact O-N 2.73Å; R99-S125 PolarHBondContact O-N 2.62Å
100V98.4Very high97.2Very high18 Ų1839 Ų3911%0.10921%0.205CC..EExtended strand (participates in β ladder)trans-128.7123.2-178.2-176.30000109A76 W77 L78 Y102 S125A76-V100 PolarHBondContact O-N 2.88Å; W77-V100 WeakPolarHBondContact CA-O 3.24Å; W77-V100 HydrophobicContact CB-CB 4.24Å; W77-V100 HydrophobicContact CG-CB 3.97Å; W77-V100 HydrophobicContact CG-CG1 4.15Å; L78-V100 PolarHBondContact N-O 2.85Å; V100-Y102 HydrophobicContact CG1-CD1 3.92Å; V100-Y102 HydrophobicContact CG1-CE1 3.37Å; V100-S125 WeakPolarHBondContact CA-O 3.2Å
101L98.6Very high97.2Very high0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-128.1117.5178.1177.356.7000110.3L78 L80 L92 L98 L103 L117 L123 S125 V126 T127L78-L101 HydrophobicContact CB-CD1 4.2Å; L78-L101 HydrophobicContact CD2-CD1 4.22Å; L78-L101 HydrophobicContact CG-CD1 4.27Å; L78-L101 WeakPolarHBondContact O-CA 3.43Å; L80-L101 HydrophobicContact CD1-CD1 4.38Å; L92-L101 HydrophobicContact CD1-CD2 4.41Å; L92-L101 HydrophobicContact CD2-CD1 4.44Å; L98-L101 HydrophobicContact CD2-CB 4Å; L98-L101 HydrophobicContact CD2-CD1 4.28Å; L98-L101 HydrophobicContact CD2-CD2 4.2Å; L98-L101 HydrophobicContact CD2-CG 4.38Å; L101-L103 HydrophobicContact CD1-CD2 4.3Å; L101-L103 HydrophobicContact CD1-CG 4.13Å; L101-L103 HydrophobicContact CD2-CD1 3.83Å; L101-L103 HydrophobicContact CD2-CG 4.27Å; L101-L103 HydrophobicContact CG-CD1 4.04Å; L101-L103 HydrophobicContact CG-CG 3.95Å; L101-L117 HydrophobicContact CD2-CD1 4.06Å; L101-L117 HydrophobicContact CD2-CD2 3.91Å; L101-L123 HydrophobicContact CB-CD1 3.88Å; L101-S125 PolarHBondContact N-O 3.31Å; L101-V126 VanDerWaalsContact O-CA 3.3Å; L101-V126 WeakPolarHBondContact O-CA 2.99Å; L101-T127 PolarHBondContact O-N 3.1Å
102Y98.8Very high97.1Very high42 Ų4235.5 Ų35.517%0.16520%0.198CC..EExtended strand (participates in β ladder)trans-102.9118.2174.4-61.2-19.1000111.2W77 L78 D79 L80 S81 V100 T127 F155W77-Y102 AromaticContact CE2-CE2 3.92Å; W77-Y102 AromaticContact CZ2-CE2 3.71Å; W77-Y102 HydrophobicContact CZ2-CE2 3.71Å; W77-Y102 AromaticContact NE1-CD2 3.73Å; W77-Y102 AromaticContact NE1-CE2 3.55Å; W77-Y102 AromaticContact NE1-CZ 3.96Å; L78-Y102 PolarHBondContact O-N 2.82Å; D79-Y102 HydrophobicContact CB-CD2 4.19Å; L80-Y102 CarbonylContact C-O 3.52Å; L80-Y102 WeakPolarHBondContact CA-O 3.24Å; L80-Y102 WeakPolarHBondContact CB-O 3.34Å; L80-Y102 PolarHBondContact N-O 2.97Å; S81-Y102 PolarHBondContact N-O 3.19Å; V100-Y102 HydrophobicContact CG1-CD1 3.92Å; V100-Y102 HydrophobicContact CG1-CE1 3.37Å; Y102-T127 VanDerWaalsContact CA-OG1 3.27Å; Y102-T127 WeakPolarHBondContact CA-OG1 3.29Å; Y102-T127 HydrophobicContact CD1-CG2 3.63Å; Y102-T127 HydrophobicContact CE1-CG2 3.84Å; Y102-T127 HydrophobicContact CG-CG2 4.47Å; Y102-F155 HydrophobicContact CE1-CE1 4.13Å; Y102-F155 AromaticContact CZ-CE1 4Å
103L98.7Very high97Very high1 Ų136.4 Ų36.41%0.00520%0.203CC..  trans-123.78.6177.7-67.5168.8000112.3L80 L85 I88 L101 N106 I108 T127 L128 N131L80-L103 HydrophobicContact CB-CD2 4.07Å; L80-L103 HydrophobicContact CD1-CD2 4.04Å; L85-L103 HydrophobicContact CD1-CD2 3.89Å; I88-L103 HydrophobicContact CD1-CD1 4.47Å; I88-L103 HydrophobicContact CG1-CD1 4.28Å; L101-L103 HydrophobicContact CD1-CD2 4.3Å; L101-L103 HydrophobicContact CD1-CG 4.13Å; L101-L103 HydrophobicContact CD2-CD1 3.83Å; L101-L103 HydrophobicContact CD2-CG 4.27Å; L101-L103 HydrophobicContact CG-CD1 4.04Å; L101-L103 HydrophobicContact CG-CG 3.95Å; L103-N106 WeakPolarHBondContact O-CB 3.46Å; L103-N106 PolarHBondContact O-ND2 2.95Å; L103-I108 HydrophobicContact CB-CD1 4.08Å; L103-I108 HydrophobicContact CD1-CD1 4.19Å; L103-I108 HydrophobicContact CD2-CD1 4.48Å; L103-I108 HydrophobicContact CG-CD1 4.49Å; L103-T127 CarbonylContact C-O 3.58Å; L103-T127 WeakPolarHBondContact CA-O 3.21Å; L103-T127 WeakPolarHBondContact CB-O 3.1Å; L103-T127 PolarHBondContact N-O 3.43Å; L103-T127 PolarHBondContact N-OG1 3.38Å; L103-L128 HydrophobicContact CB-CD2 3.89Å; L103-L128 HydrophobicContact CD1-CD2 3.98Å; L103-N131 PolarHBondContact O-ND2 2.59Å
104H98.7Very high97Very high18 Ų1835.4 Ų35.48%0.08320%0.196CC..  trans-66.2151.9-17770.699.7000112.3S81 F82 N106 T127 H129S81-H104 CarbonylContact C-O 3.39Å; S81-H104 WeakPolarHBondContact CA-O 3.42Å; S81-H104 WeakPolarHBondContact CB-CD2 3.49Å; S81-H104 WeakPolarHBondContact CB-NE2 3.24Å; S81-H104 WeakPolarHBondContact CB-O 3.31Å; F82-H104 AromaticContact CE2-CE1 3.34Å; F82-H104 WeakPolarHBondContact CE2-CE1 3.15Å; F82-H104 AromaticContact CE2-ND1 3.86Å; F82-H104 AromaticContact CZ-CE1 3.72Å; F82-H104 AromaticContact CZ-ND1 3.86Å; F82-H104 PolarHBondContact N-O 2.72Å; H104-N106 PolarHBondContact O-ND2 2.87Å; H104-T127 PolarHBondContact CD2-OG1 2.84Å; H104-T127 PolarHBondContact N-O 3.25Å; H104-H129 CarbonylContact C-O 3.56Å; H104-H129 WeakPolarHBondContact CA-O 3.33Å; H104-H129 WeakPolarHBondContact CB-CE1 3.39Å; H104-H129 WeakPolarHBondContact CB-ND1 3.03Å; H104-H129 WeakPolarHBondContact CB-O 3.33Å; H104-H129 AromaticContact CD2-CE1 3.94Å; H104-H129 AromaticContact CG-CE1 3.37Å; H104-H129 AromaticContact CG-NE2 3.52Å; H104-H129 AromaticContact ND1-CE1 3.68Å; H104-H129 AromaticContact ND1-NE2 3.35Å; H104-H129 PolarHBondContact ND1-NE2 3.03Å
105G98.5Very high97Very high20 Ų2033.1 Ų33.121%0.20619%0.187CC..SBendtrans64.139.2-177.100000113.6F82 N83 H129 G130F82-G105 WeakPolarHBondContact CA-O 3.38Å; F82-G105 PolarHBondContact N-O 3.38Å; N83-G105 PolarHBondContact N-O 3.45Å; G105-H129 PolarHBondContact N-O 3.42Å; G105-G130 WeakPolarHBondContact CA-O 3.45Å
106N98.8Very high97Very high2 Ų237 Ų371%0.01120%0.201CC..SBendtrans-115.3-167.2170.9-82.2-83.9000109.5L80 N83 K84 L85 L103 H104 I108 N131L80-N106 PolarHBondContact O-ND2 3.33Å; N83-N106 VanDerWaalsContact CA-OD1 3.3Å; N83-N106 WeakPolarHBondContact CA-OD1 3.49Å; N83-N106 WeakPolarHBondContact CB-OD1 3.38Å; N83-N106 PolarHBondContact N-OD1 3.3Å; N83-N106 PolarHBondContact O-OD1 3.13Å; K84-N106 PolarHBondContact N-OD1 3.4Å; L85-N106 HydrophobicContact CB-CB 4.18Å; L85-N106 WeakPolarHBondContact CB-OD1 3.11Å; L85-N106 WeakPolarHBondContact CG-OD1 3.45Å; L85-N106 PolarHBondContact N-OD1 3.38Å; L103-N106 WeakPolarHBondContact O-CB 3.46Å; L103-N106 PolarHBondContact O-ND2 2.95Å; H104-N106 PolarHBondContact O-ND2 2.87Å; N106-I108 HydrophobicContact CB-CD1 4.48Å; N106-I108 HydrophobicContact CB-CG1 4.38Å; N106-N131 WeakPolarHBondContact CA-OD1 3.47Å; N106-N131 WeakPolarHBondContact CB-OD1 3.15Å; N106-N131 PolarHBondContact N-ND2 3.47Å; N106-N131 PolarHBondContact N-OD1 3.21Å; N106-N131 PolarHBondContact O-OD1 2.92Å
107N98.4Very high97.1Very high94 Ų9431.9 Ų31.950%0.50318%0.177SC..  trans-109.825.1-177.2-67.912.2000113L85 S109 N131L85-N107 CarbonylContact O-C 3.51Å; L85-N107 VanDerWaalsContact O-C 3.27Å; L85-N107 VanDerWaalsContact O-CA 3.3Å; L85-N107 WeakPolarHBondContact O-CA 3.45Å; L85-N107 PolarHBondContact O-N 2.89Å; N107-S109 PolarHBondContact O-N 3.03Å; N107-N131 PolarHBondContact N-OD1 2.96Å
108I98.3Very high97.1Very high0 Ų033.4 Ų33.40%019%0.188CC..  trans-71.5120.9-177.4-57.6166.8000109.8L85 I88 L103 N106 L128 N131 P132 I133L85-I108 PolarHBondContact O-N 3.13Å; I88-I108 HydrophobicContact CG1-CD1 4.05Å; I88-I108 HydrophobicContact CG1-CG2 4.34Å; L103-I108 HydrophobicContact CB-CD1 4.08Å; L103-I108 HydrophobicContact CD1-CD1 4.19Å; L103-I108 HydrophobicContact CD2-CD1 4.48Å; L103-I108 HydrophobicContact CG-CD1 4.49Å; N106-I108 HydrophobicContact CB-CD1 4.48Å; N106-I108 HydrophobicContact CB-CG1 4.38Å; I108-L128 HydrophobicContact CD1-CD2 3.91Å; I108-N131 HydrophobicContact CB-CB 4.28Å; I108-N131 WeakPolarHBondContact CB-OD1 3.27Å; I108-N131 WeakPolarHBondContact CG1-OD1 3.22Å; I108-N131 PolarHBondContact N-OD1 2.86Å; I108-N131 WeakPolarHBondContact O-CB 3.29Å; I108-P132 VanDerWaalsContact O-CD 3.31Å; I108-P132 WeakPolarHBondContact O-CD 3.35Å; I108-I133 HydrophobicContact CG2-CD1 4.35Å; I108-I133 WeakPolarHBondContact O-CB 3.4Å; I108-I133 PolarHBondContact O-N 2.79Å
109S97Very high97.1Very high73 Ų7337.3 Ų37.351%0.5121%0.212SC..  trans-114-23.9-177.360.10000113.7N107 L111N107-S109 PolarHBondContact O-N 3.03Å; S109-L111 PolarHBondContact O-N 3.24Å
110T96.1Very high97Very high58 Ų5834.6 Ų34.636%0.35620%0.202SC..  trans-93.4107.8-168-60.90000111.8S112 E113T110-S112 VanDerWaalsContact C-N 3.27Å; T110-S112 WeakPolarHBondContact CG2-OG 3.49Å; T110-S112 PolarHBondContact O-N 2.7Å; T110-E113 HydrophobicContact CG2-CG 3.86Å; T110-E113 WeakPolarHBondContact O-CB 3.46Å; T110-E113 PolarHBondContact O-N 3.15Å; T110-E113 VanDerWaalsContact O-N 3.1Å
111L93.8Very high96.9Very high23 Ų2337.3 Ų37.312%0.1222%0.22CC..G310 helixtrans-63.2-25.5-175.8-173.460000114.6S109 E113 V114 I133 N136 Y139 R142 V143S109-L111 PolarHBondContact O-N 3.24Å; L111-E113 VanDerWaalsContact C-N 3.27Å; L111-E113 PolarHBondContact O-N 3.15Å; L111-V114 WeakPolarHBondContact O-CG2 3.43Å; L111-I133 HydrophobicContact CB-CD1 4.4Å; L111-I133 HydrophobicContact CB-CG1 4.16Å; L111-I133 HydrophobicContact CD1-CD1 3.77Å; L111-I133 HydrophobicContact CD1-CG1 3.75Å; L111-N136 HydrophobicContact CD2-CB 4.26Å; L111-Y139 HydrophobicContact CD1-CD2 4.13Å; L111-R142 HydrophobicContact CD1-CB 4.04Å; L111-R142 HydrophobicContact CD1-CG 3.81Å; L111-R142 HydrophobicContact CD2-CB 3.71Å; L111-R142 HydrophobicContact CD2-CG 3.54Å; L111-R142 HydrophobicContact CG-CB 4.01Å; L111-R142 HydrophobicContact CG-CG 3.44Å; L111-R142 VanDerWaalsContact CG-CG 3.44Å; L111-V143 HydrophobicContact CD1-CG2 4.34Å
112S94.1Very high96.8Very high70 Ų7042.1 Ų42.149%0.4924%0.242SC..G310 helixtrans-74.3-14.6176.851.10000113.9T110 V114 D115T110-S112 VanDerWaalsContact C-N 3.27Å; T110-S112 WeakPolarHBondContact CG2-OG 3.49Å; T110-S112 PolarHBondContact O-N 2.7Å; S112-V114 PolarHBondContact O-N 3.33Å; S112-D115 WeakPolarHBondContact O-CB 3.36Å; S112-D115 PolarHBondContact O-N 3.08Å
113E94.8Very high96.8Very high20 Ų2040.1 Ų40.19%0.09323%0.234CC..G310 helixtrans-68.9-23.6-179.2-65.1-175.216600113.1H87 I88 T110 L111 D115 R116H87-E113 WeakPolarHBondContact CA-OE2 3.45Å; H87-E113 WeakPolarHBondContact CB-OE1 3.27Å; H87-E113 VanDerWaalsContact CB-OE2 3.24Å; H87-E113 WeakPolarHBondContact CB-OE2 3.21Å; I88-E113 HydrophobicContact CB-CB 4.08Å; I88-E113 HydrophobicContact CD1-CB 4.12Å; I88-E113 HydrophobicContact CG1-CB 4.13Å; I88-E113 PolarHBondContact N-OE2 3Å; T110-E113 HydrophobicContact CG2-CG 3.86Å; T110-E113 WeakPolarHBondContact O-CB 3.46Å; T110-E113 PolarHBondContact O-N 3.15Å; T110-E113 VanDerWaalsContact O-N 3.1Å; L111-E113 VanDerWaalsContact C-N 3.27Å; L111-E113 PolarHBondContact O-N 3.15Å; E113-D115 PolarHBondContact O-N 3.01Å; E113-D115 VanDerWaalsContact O-N 3.17Å; E113-R116 VanDerWaalsContact O-CB 3.27Å; E113-R116 WeakPolarHBondContact O-CB 3.41Å; E113-R116 WeakPolarHBondContact O-CG 3.37Å; E113-R116 PolarHBondContact O-N 3.47Å
114V96.1Very high96.8Very high0 Ų042 Ų420%024%0.243CC..G310 helixtrans-61.4-23.3175.5-51.60000112.2I88 L111 S112 R116 L117 L128 I133 V143 A146I88-V114 HydrophobicContact CD1-CB 4.46Å; I88-V114 HydrophobicContact CD1-CG1 3.97Å; L111-V114 WeakPolarHBondContact O-CG2 3.43Å; S112-V114 PolarHBondContact O-N 3.33Å; V114-R116 PolarHBondContact O-N 3.32Å; V114-L117 PolarHBondContact O-N 3.05Å; V114-L128 HydrophobicContact CG1-CD1 3.93Å; V114-I133 HydrophobicContact CG1-CD1 3.87Å; V114-V143 HydrophobicContact CG1-CG2 4.13Å; V114-V143 HydrophobicContact CG2-CG2 4.43Å; V114-A146 HydrophobicContact CG2-CB 3.75Å
115D95Very high96.7Very high65 Ų6541.6 Ų41.635%0.34824%0.242SC..G310 helixtrans-60.6-29.7175.1-66.3-25.9000112.2S112 E113 L117 A118 R142 A146S112-D115 WeakPolarHBondContact O-CB 3.36Å; S112-D115 PolarHBondContact O-N 3.08Å; E113-D115 PolarHBondContact O-N 3.01Å; E113-D115 VanDerWaalsContact O-N 3.17Å; D115-L117 PolarHBondContact O-N 2.91Å; D115-A118 WeakPolarHBondContact O-CB 3.48Å; D115-A118 PolarHBondContact O-N 2.93Å; D115-A118 VanDerWaalsContact O-N 3.11Å; D115-R142 IonicContact OD1-CZ 2.67Å; D115-R142 IonicContact OD1-NH1 3.17Å; D115-R142 PolarHBondContact OD1-NH1 3.3Å; D115-R142 IonicContact OD1-NH2 3.39Å; D115-R142 PolarHBondContact OD1-NH2 3.35Å; D115-R142 IonicContact OD2-CZ 2.89Å; D115-R142 IonicContact OD2-NH1 3.07Å; D115-R142 IonicContact OD2-NH2 2.83Å; D115-R142 PolarHBondContact OD2-NH2 3.12Å; D115-A146 WeakPolarHBondContact OD1-CB 3.05Å
116R95.9Very high96.7Very high93 Ų9340.6 Ų40.635%0.35123%0.232SC..G310 helixtrans-61.7-33.9180-61177.8-173.5175.55.5111.3I88 C93 E113 V114 A118 V119I88-R116 WeakPolarHBondContact O-CD 3.16Å; I88-R116 PolarHBondContact O-NH1 3.23Å; C93-R116 PolarHBondContact SG-O 3.24Å; E113-R116 VanDerWaalsContact O-CB 3.27Å; E113-R116 WeakPolarHBondContact O-CB 3.41Å; E113-R116 WeakPolarHBondContact O-CG 3.37Å; E113-R116 PolarHBondContact O-N 3.47Å; V114-R116 PolarHBondContact O-N 3.32Å; R116-A118 PolarHBondContact O-N 2.97Å; R116-V119 WeakPolarHBondContact O-CG1 3.25Å
117L97.6Very high96.7Very high0 Ų040.5 Ų40.50%023%0.232CC..G310 helixtrans-74.2-10.3-179.4-58.1176.9000113.1I88 L92 L101 V114 D115 V119 L120 L123 V126 L147I88-L117 HydrophobicContact CD1-CD1 4Å; I88-L117 HydrophobicContact CD1-CG 4.44Å; I88-L117 HydrophobicContact CG2-CD1 4.29Å; I88-L117 HydrophobicContact CG2-CD2 3.7Å; I88-L117 HydrophobicContact CG2-CG 3.93Å; L92-L117 HydrophobicContact CB-CD2 4.3Å; L101-L117 HydrophobicContact CD2-CD1 4.06Å; L101-L117 HydrophobicContact CD2-CD2 3.91Å; V114-L117 PolarHBondContact O-N 3.05Å; D115-L117 PolarHBondContact O-N 2.91Å; L117-V119 PolarHBondContact O-N 2.91Å; L117-L120 HydrophobicContact CD2-CD1 4.08Å; L117-L120 WeakPolarHBondContact O-CB 3.13Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-L120 VanDerWaalsContact O-N 3.12Å; L117-L123 HydrophobicContact CB-CD2 4.04Å; L117-L123 HydrophobicContact CD1-CD2 4.46Å; L117-V126 HydrophobicContact CD1-CG2 4.49Å; L117-L147 VanDerWaalsContact C-CD2 3.44Å; L117-L147 HydrophobicContact CB-CD1 4.13Å; L117-L147 HydrophobicContact CB-CD2 3.77Å; L117-L147 HydrophobicContact CD1-CD1 4.35Å
118A96.4Very high96.7Very high47 Ų4736 Ų3639%0.38821%0.208SC..G310 helixtrans-64.4-24.2-177.900000112.9D115 R116 L120 A146 L147 Q149D115-A118 WeakPolarHBondContact O-CB 3.48Å; D115-A118 PolarHBondContact O-N 2.93Å; D115-A118 VanDerWaalsContact O-N 3.11Å; R116-A118 PolarHBondContact O-N 2.97Å; A118-L120 PolarHBondContact O-N 3.22Å; A118-A146 WeakPolarHBondContact CB-O 3.48Å; A118-L147 VanDerWaalsContact CA-CD2 3.49Å; A118-L147 HydrophobicContact CB-CD2 3.98Å; A118-L147 VanDerWaalsContact N-CD2 3.3Å; A118-Q149 PolarHBondContact O-NE2 3Å
119V96.8Very high96.7Very high82 Ų8238.4 Ų38.450%0.49722%0.219SC..G310 helixtrans-69.9-14.8177.2730000113.3C93 R116 L117 P121C93-V119 HydrophobicContact CB-CG1 3.71Å; R116-V119 WeakPolarHBondContact O-CG1 3.25Å; L117-V119 PolarHBondContact O-N 2.91Å; V119-P121 WeakPolarHBondContact O-CD 3.39Å
120L97.6Very high96.8Very high0 Ų037.2 Ų37.20%022%0.218CC..  trans-82.9106-178.7-60.3179.6000110.4C93 L95 L98 L117 A118 H122 L123 Q149C93-L120 WeakPolarHBondContact O-CD2 3.46Å; L95-L120 WeakPolarHBondContact O-CD2 3.46Å; L98-L120 HydrophobicContact CD2-CD1 4.09Å; L117-L120 HydrophobicContact CD2-CD1 4.08Å; L117-L120 WeakPolarHBondContact O-CB 3.13Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-L120 VanDerWaalsContact O-N 3.12Å; A118-L120 PolarHBondContact O-N 3.22Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 3.41Å; L120-L123 HydrophobicContact CB-CB 3.81Å; L120-L123 HydrophobicContact CD1-CD2 4.21Å; L120-L123 PolarHBondContact O-N 2.95Å; L120-Q149 PolarHBondContact O-NE2 2.87Å
121P95.4Very high96.9Very high76 Ų7634.7 Ų34.749%0.49420%0.202SC..THydrogen-bonded Turntrans-73.5-21.9-167.930.5-36.2000113.2V119V119-P121 WeakPolarHBondContact O-CD 3.39Å
122H97.1Very high97.1Very high100 Ų10036.4 Ų36.446%0.46322%0.215SC..THydrogen-bonded Turntrans-106-4.4-175.4-60.5-45.4000113.6H96 L98 R99 L120 H124H96-H122 PolarHBondContact O-CD2 3.49Å; L98-H122 CarbonylContact O-C 3.46Å; L98-H122 VanDerWaalsContact O-C 3.23Å; R99-H122 WeakPolarHBondContact CA-O 3.32Å; R99-H122 HydrophobicContact CG-CB 4.01Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 3.41Å; H122-H124 PolarHBondContact O-CD2 3.49Å; H122-H124 PolarHBondContact O-N 2.87Å; H122-H124 VanDerWaalsContact O-N 3.12Å
123L98.2Very high97.2Very high0 Ų033.1 Ų33.10%019%0.192CC..  trans-65.8113.5-177.9-176.270.2000109.6L98 L101 L117 L120 Q149 L150L98-L123 HydrophobicContact CD2-CD1 4.46Å; L98-L123 HydrophobicContact CG-CD1 4.43Å; L98-L123 WeakPolarHBondContact O-CA 3.46Å; L98-L123 PolarHBondContact O-N 2.94Å; L98-L123 VanDerWaalsContact O-N 3.11Å; L101-L123 HydrophobicContact CB-CD1 3.88Å; L117-L123 HydrophobicContact CB-CD2 4.04Å; L117-L123 HydrophobicContact CD1-CD2 4.46Å; L120-L123 HydrophobicContact CB-CB 3.81Å; L120-L123 HydrophobicContact CD1-CD2 4.21Å; L120-L123 PolarHBondContact O-N 2.95Å; L123-Q149 WeakPolarHBondContact O-CG 3.46Å; L123-L150 HydrophobicContact CG-CD2 4.33Å
124H97.6Very high97.3Very high40 Ų4036.8 Ų36.819%0.18521%0.209CC..  trans-124.3-7.5-178.766.267.1000113.4R99 H122 K151 T152R99-H124 PolarHBondContact O-N 2.73Å; H122-H124 PolarHBondContact O-CD2 3.49Å; H122-H124 PolarHBondContact O-N 2.87Å; H122-H124 VanDerWaalsContact O-N 3.12Å; H124-K151 HydrophobicContact CB-CB 4.26Å; H124-K151 HydrophobicContact CB-CD 4.05Å; H124-K151 HydrophobicContact CB-CG 4.02Å; H124-K151 WeakPolarHBondContact O-CA 3.21Å; H124-K151 PolarHBondContact O-N 2.87Å; H124-T152 PolarHBondContact O-N 2.66Å; H124-T152 PolarHBondContact O-OG1 3.19Å
125S98.3Very high97.3Very high10 Ų1042.8 Ų42.87%0.0725%0.246CC..EExtended strand (participates in β ladder)trans-136.1127.5174.9-171.70000110.9R99 V100 L101 T152R99-S125 PolarHBondContact O-N 2.62Å; V100-S125 WeakPolarHBondContact CA-O 3.2Å; L101-S125 PolarHBondContact N-O 3.31Å; S125-T152 WeakPolarHBondContact CA-O 3.38Å; S125-T152 WeakPolarHBondContact CA-OG1 3.16Å; S125-T152 WeakPolarHBondContact CB-OG1 3.36Å; S125-T152 PolarHBondContact OG-OG1 2.79Å
126V98.5Very high97.2Very high0 Ų042.9 Ų42.90%025%0.246CC..EExtended strand (participates in β ladder)trans-133.9148.217274.10000110.7L101 L117 L128 V143 L150 T152 M153 D154L101-V126 VanDerWaalsContact O-CA 3.3Å; L101-V126 WeakPolarHBondContact O-CA 2.99Å; L117-V126 HydrophobicContact CD1-CG2 4.49Å; V126-L128 HydrophobicContact CG2-CD1 4.31Å; V126-L128 HydrophobicContact CG2-CG 4.25Å; V126-V143 HydrophobicContact CG1-CG1 4.35Å; V126-L150 HydrophobicContact CB-CD2 4.15Å; V126-L150 HydrophobicContact CG1-CD1 3.57Å; V126-L150 HydrophobicContact CG1-CD2 3.91Å; V126-L150 HydrophobicContact CG1-CG 4.41Å; V126-T152 PolarHBondContact N-O 3.31Å; V126-M153 HydrophobicContact CG1-CG 4.45Å; V126-M153 CarbonylContact O-C 3.27Å; V126-M153 WeakPolarHBondContact O-CA 3.18Å; V126-D154 PolarHBondContact O-N 2.79Å
127T98.6Very high97.1Very high0 Ų048.5 Ų48.50%027%0.273CS..EExtended strand (participates in β ladder)trans-128.7132.2168.964.50000109.2L101 Y102 L103 H104 D154 F155L101-T127 PolarHBondContact O-N 3.1Å; Y102-T127 VanDerWaalsContact CA-OG1 3.27Å; Y102-T127 WeakPolarHBondContact CA-OG1 3.29Å; Y102-T127 HydrophobicContact CD1-CG2 3.63Å; Y102-T127 HydrophobicContact CE1-CG2 3.84Å; Y102-T127 HydrophobicContact CG-CG2 4.47Å; L103-T127 CarbonylContact C-O 3.58Å; L103-T127 WeakPolarHBondContact CA-O 3.21Å; L103-T127 WeakPolarHBondContact CB-O 3.1Å; L103-T127 PolarHBondContact N-O 3.43Å; L103-T127 PolarHBondContact N-OG1 3.38Å; H104-T127 PolarHBondContact CD2-OG1 2.84Å; H104-T127 PolarHBondContact N-O 3.25Å; T127-D154 VanDerWaalsContact CA-OD1 3.29Å; T127-D154 WeakPolarHBondContact CA-OD1 3.07Å; T127-F155 HydrophobicContact CG2-CD1 4.04Å; T127-F155 HydrophobicContact CG2-CE1 3.63Å; T127-F155 HydrophobicContact CG2-CE2 4.17Å; T127-F155 HydrophobicContact CG2-CG 4.46Å; T127-F155 HydrophobicContact CG2-CZ 3.71Å
128L98.3Very high96.8Very high0 Ų050.6 Ų50.60%029%0.286CS..  trans-137.5-4.1-176.4-80.9164.5000111.8L103 I108 V114 V126 N131 Y139 V143 D154L103-L128 HydrophobicContact CB-CD2 3.89Å; L103-L128 HydrophobicContact CD1-CD2 3.98Å; I108-L128 HydrophobicContact CD1-CD2 3.91Å; V114-L128 HydrophobicContact CG1-CD1 3.93Å; V126-L128 HydrophobicContact CG2-CD1 4.31Å; V126-L128 HydrophobicContact CG2-CG 4.25Å; L128-N131 VanDerWaalsContact O-CB 3.25Å; L128-N131 WeakPolarHBondContact O-CB 3.3Å; L128-N131 PolarHBondContact O-N 3.19Å; L128-N131 PolarHBondContact O-ND2 3.34Å; L128-Y139 HydrophobicContact CB-CE2 4.07Å; L128-Y139 WeakPolarHBondContact CB-OH 3.21Å; L128-Y139 HydrophobicContact CD1-CE2 4.5Å; L128-V143 HydrophobicContact CD1-CG2 4.3Å; L128-D154 PolarHBondContact N-OD1 3.18Å
129H98.1Very high96.8Very high50 Ų5049.2 Ų49.223%0.23127%0.271CS..THydrogen-bonded Turntrans-54.4159172.766.5-79.4000113.1H104 G105 N131 E134 Y139 D154 F155H104-H129 CarbonylContact C-O 3.56Å; H104-H129 WeakPolarHBondContact CA-O 3.33Å; H104-H129 WeakPolarHBondContact CB-CE1 3.39Å; H104-H129 WeakPolarHBondContact CB-ND1 3.03Å; H104-H129 WeakPolarHBondContact CB-O 3.33Å; H104-H129 AromaticContact CD2-CE1 3.94Å; H104-H129 AromaticContact CG-CE1 3.37Å; H104-H129 AromaticContact CG-NE2 3.52Å; H104-H129 AromaticContact ND1-CE1 3.68Å; H104-H129 AromaticContact ND1-NE2 3.35Å; H104-H129 PolarHBondContact ND1-NE2 3.03Å; G105-H129 PolarHBondContact N-O 3.42Å; H129-N131 PolarHBondContact O-N 2.87Å; H129-N131 PolarHBondContact O-ND2 3.32Å; H129-E134 WeakPolarHBondContact CA-OE2 3.48Å; H129-Y139 PolarHBondContact N-OH 2.91Å; H129-D154 HydrophobicContact CB-CB 4.42Å; H129-D154 IonicContact CG-OD1 3.18Å; H129-D154 PolarHBondContact N-OD1 3.07Å; H129-D154 IonicContact ND1-OD1 3.59Å; H129-D154 PolarHBondContact ND1-OD1 3.1Å; H129-F155 AromaticContact CE1-CD2 3.9Å; H129-F155 AromaticContact CE1-CE2 3.35Å; H129-F155 WeakPolarHBondContact CE1-CE2 3.3Å; H129-F155 AromaticContact NE2-CE2 3.89Å
130G97.8Very high96.7Very high47 Ų4748.3 Ų48.349%0.48526%0.258SS..THydrogen-bonded Turntrans66.617-175.200000113.5G105 E134G105-G130 WeakPolarHBondContact CA-O 3.45Å; G130-E134 PolarHBondContact N-OE2 2.94Å
131N98.6Very high96.5Very high6 Ų651 Ų513%0.03227%0.273CS..SBendtrans-111.6153.3169-75.1-99.3000109.4L103 N106 N107 I108 L128 H129 I133 E134L103-N131 PolarHBondContact O-ND2 2.59Å; N106-N131 WeakPolarHBondContact CA-OD1 3.47Å; N106-N131 WeakPolarHBondContact CB-OD1 3.15Å; N106-N131 PolarHBondContact N-ND2 3.47Å; N106-N131 PolarHBondContact N-OD1 3.21Å; N106-N131 PolarHBondContact O-OD1 2.92Å; N107-N131 PolarHBondContact N-OD1 2.96Å; I108-N131 HydrophobicContact CB-CB 4.28Å; I108-N131 WeakPolarHBondContact CB-OD1 3.27Å; I108-N131 WeakPolarHBondContact CG1-OD1 3.22Å; I108-N131 PolarHBondContact N-OD1 2.86Å; I108-N131 WeakPolarHBondContact O-CB 3.29Å; L128-N131 VanDerWaalsContact O-CB 3.25Å; L128-N131 WeakPolarHBondContact O-CB 3.3Å; L128-N131 PolarHBondContact O-N 3.19Å; L128-N131 PolarHBondContact O-ND2 3.34Å; H129-N131 PolarHBondContact O-N 2.87Å; H129-N131 PolarHBondContact O-ND2 3.32Å; N131-I133 HydrophobicContact CB-CG2 3.65Å; N131-I133 PolarHBondContact O-N 2.99Å; N131-E134 VanDerWaalsContact O-CB 3.29Å; N131-E134 WeakPolarHBondContact O-CB 3.45Å; N131-E134 PolarHBondContact O-N 3.34Å
132P98.3Very high96.5Very high59 Ų5949.1 Ų49.138%0.38326%0.256SS..G310 helixtrans-53.5-28.1176.5-27.333.9000115I108 E134 T135I108-P132 VanDerWaalsContact O-CD 3.31Å; I108-P132 WeakPolarHBondContact O-CD 3.35Å; P132-E134 PolarHBondContact O-N 3.25Å; P132-E134 VanDerWaalsContact O-N 3.15Å; P132-T135 WeakPolarHBondContact O-CB 3.12Å; P132-T135 PolarHBondContact O-N 2.87Å; P132-T135 VanDerWaalsContact O-N 3.15Å; P132-T135 PolarHBondContact O-OG1 3.21Å
133I96.9Very high96.4Very high1 Ų144.3 Ų44.31%0.00523%0.234CC..G310 helixtrans-53.5-29174.6-164.6175.6000113.5I108 L111 V114 N131 T135 N136 Y139I108-I133 HydrophobicContact CG2-CD1 4.35Å; I108-I133 WeakPolarHBondContact O-CB 3.4Å; I108-I133 PolarHBondContact O-N 2.79Å; L111-I133 HydrophobicContact CB-CD1 4.4Å; L111-I133 HydrophobicContact CB-CG1 4.16Å; L111-I133 HydrophobicContact CD1-CD1 3.77Å; L111-I133 HydrophobicContact CD1-CG1 3.75Å; V114-I133 HydrophobicContact CG1-CD1 3.87Å; N131-I133 HydrophobicContact CB-CG2 3.65Å; N131-I133 PolarHBondContact O-N 2.99Å; I133-T135 PolarHBondContact O-N 3.49Å; I133-N136 WeakPolarHBondContact O-CB 3.41Å; I133-N136 PolarHBondContact O-N 2.87Å; I133-Y139 HydrophobicContact CD1-CD2 4.41Å; I133-Y139 HydrophobicContact CD1-CE2 4.35Å; I133-Y139 HydrophobicContact CG1-CD2 3.98Å; I133-Y139 HydrophobicContact CG1-CE2 4.23Å; I133-Y139 HydrophobicContact CG2-CD2 4.24Å; I133-Y139 HydrophobicContact CG2-CE2 3.84Å
134E95.9Very high96.4Very high97 Ų9744.5 Ų44.545%0.45324%0.235SC..G310 helixtrans-65.4-27.3-178.7-175.6176.2-174.600112.4H129 G130 N131 P132 N136 Y139H129-E134 WeakPolarHBondContact CA-OE2 3.48Å; G130-E134 PolarHBondContact N-OE2 2.94Å; N131-E134 VanDerWaalsContact O-CB 3.29Å; N131-E134 WeakPolarHBondContact O-CB 3.45Å; N131-E134 PolarHBondContact O-N 3.34Å; P132-E134 PolarHBondContact O-N 3.25Å; P132-E134 VanDerWaalsContact O-N 3.15Å; E134-N136 PolarHBondContact O-N 3.13Å; E134-N136 VanDerWaalsContact O-N 3.13Å; E134-Y139 HydrophobicContact CG-CD1 4.37Å; E134-Y139 HydrophobicContact CG-CE1 4.33Å
135T95.7Very high96.2Very high126 Ų12643.7 Ų43.777%0.77323%0.233SC*.G310 helixtrans-65.8-15.5178.564.30000113.2P132 I133 K137P132-T135 WeakPolarHBondContact O-CB 3.12Å; P132-T135 PolarHBondContact O-N 2.87Å; P132-T135 VanDerWaalsContact O-N 3.15Å; P132-T135 PolarHBondContact O-OG1 3.21Å; I133-T135 PolarHBondContact O-N 3.49Å; T135-K137 PolarHBondContact O-N 3.09Å
136N94.6Very high96.1Very high67 Ų6743.8 Ų43.836%0.35823%0.234SC..SBendtrans-72.6122.5178-168.3-57.8000110.8L111 I133 E134 T138 Y139L111-N136 HydrophobicContact CD2-CB 4.26Å; I133-N136 WeakPolarHBondContact O-CB 3.41Å; I133-N136 PolarHBondContact O-N 2.87Å; E134-N136 PolarHBondContact O-N 3.13Å; E134-N136 VanDerWaalsContact O-N 3.13Å; N136-T138 PolarHBondContact O-N 2.81Å; N136-T138 WeakPolarHBondContact OD1-CA 3.29Å; N136-T138 WeakPolarHBondContact OD1-CB 3.48Å; N136-T138 PolarHBondContact OD1-N 3.31Å; N136-T138 PolarHBondContact OD1-OG1 3.36Å; N136-Y139 WeakPolarHBondContact O-CB 3.34Å; N136-Y139 PolarHBondContact O-N 3.3Å
137K92.4Very high96Very high211 Ų21143.8 Ų43.892%0.91723%0.234SC*.THydrogen-bonded Turntrans-55.2-24.9178.3-64-176.9179-178.80114.3T135T135-K137 PolarHBondContact O-N 3.09Å
138T92.5Very high95.8Very high44 Ų4447.6 Ų47.627%0.2726%0.26SS..THydrogen-bonded Turntrans-99.33.3179.767.60000113.5N136 R140 N141 R142 W169N136-T138 PolarHBondContact O-N 2.81Å; N136-T138 WeakPolarHBondContact OD1-CA 3.29Å; N136-T138 WeakPolarHBondContact OD1-CB 3.48Å; N136-T138 PolarHBondContact OD1-N 3.31Å; N136-T138 PolarHBondContact OD1-OG1 3.36Å; T138-R140 PolarHBondContact O-N 3.01Å; T138-N141 PolarHBondContact O-N 3.33Å; T138-R142 VanDerWaalsContact O-CB 3.22Å; T138-R142 WeakPolarHBondContact O-CB 3.29Å; T138-R142 PolarHBondContact O-N 3.46Å; T138-W169 HydrophobicContact CG2-CZ2 4.11Å
139Y95.4Very high95.6Very high18 Ų1850.1 Ų50.17%0.07127%0.271CS..Hα-helixtrans-43.2-62.8-174.2165.5-119.8000112.9L111 L128 H129 I133 E134 N136 N141 R142 V143 M153 D154L111-Y139 HydrophobicContact CD1-CD2 4.13Å; L128-Y139 HydrophobicContact CB-CE2 4.07Å; L128-Y139 WeakPolarHBondContact CB-OH 3.21Å; L128-Y139 HydrophobicContact CD1-CE2 4.5Å; H129-Y139 PolarHBondContact N-OH 2.91Å; I133-Y139 HydrophobicContact CD1-CD2 4.41Å; I133-Y139 HydrophobicContact CD1-CE2 4.35Å; I133-Y139 HydrophobicContact CG1-CD2 3.98Å; I133-Y139 HydrophobicContact CG1-CE2 4.23Å; I133-Y139 HydrophobicContact CG2-CD2 4.24Å; I133-Y139 HydrophobicContact CG2-CE2 3.84Å; E134-Y139 HydrophobicContact CG-CD1 4.37Å; E134-Y139 HydrophobicContact CG-CE1 4.33Å; N136-Y139 WeakPolarHBondContact O-CB 3.34Å; N136-Y139 PolarHBondContact O-N 3.3Å; Y139-N141 PolarHBondContact O-N 2.97Å; Y139-R142 PolarHBondContact O-N 3.4Å; Y139-V143 HydrophobicContact CD2-CG2 4.01Å; Y139-V143 HydrophobicContact CE2-CG2 3.86Å; Y139-V143 VanDerWaalsContact O-CG2 3.3Å; Y139-V143 WeakPolarHBondContact O-CG2 3.5Å; Y139-V143 PolarHBondContact O-N 3.23Å; Y139-M153 HydrophobicContact CD1-CE 4.03Å; Y139-M153 HydrophobicContact CD2-CE 4.34Å; Y139-M153 HydrophobicContact CE1-CE 3.37Å; Y139-M153 HydrophobicContact CE2-CE 3.75Å; Y139-M153 HydrophobicContact CG-CE 4.46Å; Y139-M153 VanDerWaalsContact OH-CE 3.31Å; Y139-M153 WeakPolarHBondContact OH-CE 3.21Å; Y139-D154 WeakPolarHBondContact CE1-OD2 3.34Å; Y139-D154 PolarHBondContact OH-OD2 3.17Å
140R95.4Very high95.6Very high62 Ų6247.7 Ų47.723%0.23426%0.26CS..Hα-helixtrans-61.5-48.6-176.8-174.4170.7-179.783.2-1.8113.1T138 R142 V143 I144 M153 S156 A157 E162T138-R140 PolarHBondContact O-N 3.01Å; R140-R142 VanDerWaalsContact C-N 3.28Å; R140-R142 PolarHBondContact O-N 3.27Å; R140-V143 PolarHBondContact O-N 3.45Å; R140-I144 HydrophobicContact CG-CD1 3.72Å; R140-I144 WeakPolarHBondContact O-CB 3.39Å; R140-I144 VanDerWaalsContact O-CG1 3.29Å; R140-I144 WeakPolarHBondContact O-CG1 3.44Å; R140-I144 PolarHBondContact O-N 3.42Å; R140-M153 HydrophobicContact CB-CE 4.43Å; R140-M153 HydrophobicContact CG-CE 4.48Å; R140-M153 HydrophobicContact CG-SD 3.99Å; R140-S156 VanDerWaalsContact CZ-OG 3.32Å; R140-S156 PolarHBondContact NH1-OG 3.31Å; R140-S156 PolarHBondContact NH2-OG 2.94Å; R140-S156 VanDerWaalsContact NH2-OG 3.1Å; R140-A157 PolarHBondContact NH2-O 2.88Å; R140-E162 IonicContact CZ-OE1 3.54Å; R140-E162 IonicContact NE-OE1 2.88Å; R140-E162 PolarHBondContact NE-OE1 3.37Å; R140-E162 IonicContact NH2-OE1 3.11Å; R140-E162 PolarHBondContact NH2-OE1 3.09Å; R140-E162 IonicContact NH2-OE2 3.66Å; R140-E162 PolarHBondContact NH2-OE2 3.18Å
141N94Very high95.5Very high56 Ų5652 Ų5230%0.29927%0.265SS..Hα-helixtrans-61.5-38.8179.7-71.3-19.2000111.8T138 Y139 S145T138-N141 PolarHBondContact O-N 3.33Å; Y139-N141 PolarHBondContact O-N 2.97Å; N141-S145 WeakPolarHBondContact O-CB 3.16Å; N141-S145 PolarHBondContact O-N 2.88Å
142R94.1Very high95.5Very high37 Ų3753.7 Ų53.714%0.1428%0.276CS..Hα-helixtrans-70.5-42.2179.7179.249.4170.9130.72.3112L111 D115 T138 Y139 R140 S145 A146 W169L111-R142 HydrophobicContact CD1-CB 4.04Å; L111-R142 HydrophobicContact CD1-CG 3.81Å; L111-R142 HydrophobicContact CD2-CB 3.71Å; L111-R142 HydrophobicContact CD2-CG 3.54Å; L111-R142 HydrophobicContact CG-CB 4.01Å; L111-R142 HydrophobicContact CG-CG 3.44Å; L111-R142 VanDerWaalsContact CG-CG 3.44Å; D115-R142 IonicContact OD1-CZ 2.67Å; D115-R142 IonicContact OD1-NH1 3.17Å; D115-R142 PolarHBondContact OD1-NH1 3.3Å; D115-R142 IonicContact OD1-NH2 3.39Å; D115-R142 PolarHBondContact OD1-NH2 3.35Å; D115-R142 IonicContact OD2-CZ 2.89Å; D115-R142 IonicContact OD2-NH1 3.07Å; D115-R142 IonicContact OD2-NH2 2.83Å; D115-R142 PolarHBondContact OD2-NH2 3.12Å; T138-R142 VanDerWaalsContact O-CB 3.22Å; T138-R142 WeakPolarHBondContact O-CB 3.29Å; T138-R142 PolarHBondContact O-N 3.46Å; Y139-R142 PolarHBondContact O-N 3.4Å; R140-R142 VanDerWaalsContact C-N 3.28Å; R140-R142 PolarHBondContact O-N 3.27Å; R142-S145 PolarHBondContact O-N 2.81Å; R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.15Å; R142-A146 PolarHBondContact O-N 3.07Å; R142-W169 HydrophobicContact CB-CH2 4.18Å; R142-W169 HydrophobicContact CB-CZ3 4.46Å; R142-W169 HydrophobicContact CG-CH2 4.3Å
143V96.4Very high95.5Very high0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-63-47.5175.3174.90000110.7L111 V114 V126 L128 Y139 R140 S145 A146 L147 L150 M153L111-V143 HydrophobicContact CD1-CG2 4.34Å; V114-V143 HydrophobicContact CG1-CG2 4.13Å; V114-V143 HydrophobicContact CG2-CG2 4.43Å; V126-V143 HydrophobicContact CG1-CG1 4.35Å; L128-V143 HydrophobicContact CD1-CG2 4.3Å; Y139-V143 HydrophobicContact CD2-CG2 4.01Å; Y139-V143 HydrophobicContact CE2-CG2 3.86Å; Y139-V143 VanDerWaalsContact O-CG2 3.3Å; Y139-V143 WeakPolarHBondContact O-CG2 3.5Å; Y139-V143 PolarHBondContact O-N 3.23Å; R140-V143 PolarHBondContact O-N 3.45Å; V143-S145 VanDerWaalsContact C-N 3.3Å; V143-S145 PolarHBondContact O-N 3.06Å; V143-A146 PolarHBondContact O-N 2.89Å; V143-L147 HydrophobicContact CG1-CD1 4.27Å; V143-L147 WeakPolarHBondContact O-CB 3.34Å; V143-L147 PolarHBondContact O-N 3.4Å; V143-L150 HydrophobicContact CG1-CD1 3.98Å; V143-M153 HydrophobicContact CB-CE 3.64Å; V143-M153 HydrophobicContact CB-SD 3.71Å; V143-M153 HydrophobicContact CG1-CE 3.79Å; V143-M153 HydrophobicContact CG1-CG 4.34Å; V143-M153 HydrophobicContact CG1-SD 3.56Å; V143-M153 VanDerWaalsContact CG1-SD 3.56Å; V143-M153 HydrophobicContact CG2-CE 3.72Å; V143-M153 HydrophobicContact CG2-SD 4.45Å
144I96.3Very high95.5Very high4 Ų452.2 Ų52.22%0.02127%0.265CS..Hα-helixtrans-63.2-38.5177.7-66.2168.8000111.2R140 L147 M153 V158 E162 R163 A166R140-I144 HydrophobicContact CG-CD1 3.72Å; R140-I144 WeakPolarHBondContact O-CB 3.39Å; R140-I144 VanDerWaalsContact O-CG1 3.29Å; R140-I144 WeakPolarHBondContact O-CG1 3.44Å; R140-I144 PolarHBondContact O-N 3.42Å; I144-L147 CarbonylContact O-C 3.53Å; I144-M153 HydrophobicContact CG1-SD 4.25Å; I144-V158 HydrophobicContact CD1-CG1 4.02Å; I144-V158 HydrophobicContact CD1-CG2 4.36Å; I144-V158 HydrophobicContact CG1-CG1 4.04Å; I144-V158 HydrophobicContact CG1-CG2 4.18Å; I144-V158 HydrophobicContact CG2-CG1 3.86Å; I144-E162 HydrophobicContact CD1-CB 3.88Å; I144-E162 HydrophobicContact CD1-CG 4.47Å; I144-R163 HydrophobicContact CG2-CG 4.43Å; I144-A166 HydrophobicContact CB-CB 4.15Å; I144-A166 HydrophobicContact CG2-CB 3.74Å
145S95Very high95.4Very high23 Ų2353.5 Ų53.516%0.16127%0.269CS..Hα-helixtrans-66.4-38.4175.6173.60000112.5N141 R142 V143 H170N141-S145 WeakPolarHBondContact O-CB 3.16Å; N141-S145 PolarHBondContact O-N 2.88Å; R142-S145 PolarHBondContact O-N 2.81Å; V143-S145 VanDerWaalsContact C-N 3.3Å; V143-S145 PolarHBondContact O-N 3.06Å; S145-H170 PolarHBondContact OG-ND1 3.25Å
146A95.1Very high95.4Very high11 Ų1149.5 Ų49.59%0.09125%0.247CC..Hα-helixtrans-74.6-34.9-179.900000112V114 D115 A118 R142 V143 P148V114-A146 HydrophobicContact CG2-CB 3.75Å; D115-A146 WeakPolarHBondContact OD1-CB 3.05Å; A118-A146 WeakPolarHBondContact CB-O 3.48Å; R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.15Å; R142-A146 PolarHBondContact O-N 3.07Å; V143-A146 PolarHBondContact O-N 2.89Å; A146-P148 VanDerWaalsContact C-CD 3.41Å; A146-P148 VanDerWaalsContact O-CD 3.23Å; A146-P148 WeakPolarHBondContact O-CD 3.18Å
147L96.4Very high95.6Very high0 Ų049.4 Ų49.40%026%0.255CS..  trans-121.568.7-173.1-53.4177.5000110.6L117 A118 V143 I144 Q149 L150L117-L147 VanDerWaalsContact C-CD2 3.44Å; L117-L147 HydrophobicContact CB-CD1 4.13Å; L117-L147 HydrophobicContact CB-CD2 3.77Å; L117-L147 HydrophobicContact CD1-CD1 4.35Å; A118-L147 VanDerWaalsContact CA-CD2 3.49Å; A118-L147 HydrophobicContact CB-CD2 3.98Å; A118-L147 VanDerWaalsContact N-CD2 3.3Å; V143-L147 HydrophobicContact CG1-CD1 4.27Å; V143-L147 WeakPolarHBondContact O-CB 3.34Å; V143-L147 PolarHBondContact O-N 3.4Å; I144-L147 CarbonylContact O-C 3.53Å; L147-Q149 VanDerWaalsContact CA-OE1 3.27Å; L147-Q149 PolarHBondContact O-N 2.87Å; L147-L150 HydrophobicContact CB-CD1 3.63Å; L147-L150 HydrophobicContact CB-CG 3.67Å; L147-L150 HydrophobicContact CD1-CD1 3.89Å; L147-L150 HydrophobicContact CD1-CG 4.36Å; L147-L150 HydrophobicContact CG-CD1 4.39Å; L147-L150 WeakPolarHBondContact O-CB 3.35Å; L147-L150 WeakPolarHBondContact O-CG 3.42Å; L147-L150 PolarHBondContact O-N 2.77Å; L147-L150 VanDerWaalsContact O-N 3.09Å
148P93.9Very high95.8Very high81 Ų8139.9 Ų39.953%0.52622%0.215SC..THydrogen-bonded Turntrans-63-16.3-176.127.4-36.6000113.9A146 R163A146-P148 VanDerWaalsContact C-CD 3.41Å; A146-P148 VanDerWaalsContact O-CD 3.23Å; A146-P148 WeakPolarHBondContact O-CD 3.18Å; P148-R163 PolarHBondContact O-NH1 3.18Å
149Q95Very high96Very high52 Ų5241 Ų4124%0.24322%0.221CC..THydrogen-bonded Turntrans-77.9-13.8176.969.8-89.142.100114.1A118 L120 L123 L147 K151A118-Q149 PolarHBondContact O-NE2 3Å; L120-Q149 PolarHBondContact O-NE2 2.87Å; L123-Q149 WeakPolarHBondContact O-CG 3.46Å; L147-Q149 VanDerWaalsContact CA-OE1 3.27Å; L147-Q149 PolarHBondContact O-N 2.87Å; Q149-K151 PolarHBondContact O-N 2.97Å
150L97.1Very high95.9Very high0 Ų046.3 Ų46.30%025%0.247CC..  trans-62135.1-177.7-74.1177.6000111.8L123 V126 V143 L147 V158 R163L123-L150 HydrophobicContact CG-CD2 4.33Å; V126-L150 HydrophobicContact CB-CD2 4.15Å; V126-L150 HydrophobicContact CG1-CD1 3.57Å; V126-L150 HydrophobicContact CG1-CD2 3.91Å; V126-L150 HydrophobicContact CG1-CG 4.41Å; V143-L150 HydrophobicContact CG1-CD1 3.98Å; L147-L150 HydrophobicContact CB-CD1 3.63Å; L147-L150 HydrophobicContact CB-CG 3.67Å; L147-L150 HydrophobicContact CD1-CD1 3.89Å; L147-L150 HydrophobicContact CD1-CG 4.36Å; L147-L150 HydrophobicContact CG-CD1 4.39Å; L147-L150 WeakPolarHBondContact O-CB 3.35Å; L147-L150 WeakPolarHBondContact O-CG 3.42Å; L147-L150 PolarHBondContact O-N 2.77Å; L147-L150 VanDerWaalsContact O-N 3.09Å; L150-V158 HydrophobicContact CB-CG2 4.24Å; L150-R163 VanDerWaalsContact O-CZ 3.23Å; L150-R163 PolarHBondContact O-NH1 3.3Å; L150-R163 PolarHBondContact O-NH2 2.92Å
151K97.4Very high95.9Very high136 Ų13649.2 Ų49.259%0.59126%0.263SS*.SBendtrans-96.3-34.5168-66.8177.7-177.9176.60111.3H124 Q149 V158H124-K151 HydrophobicContact CB-CB 4.26Å; H124-K151 HydrophobicContact CB-CD 4.05Å; H124-K151 HydrophobicContact CB-CG 4.02Å; H124-K151 WeakPolarHBondContact O-CA 3.21Å; H124-K151 PolarHBondContact O-N 2.87Å; Q149-K151 PolarHBondContact O-N 2.97Å; K151-V158 PolarHBondContact O-N 2.78Å
152T98.1Very high95.9Very high42 Ų4248.3 Ų48.326%0.25826%0.257SS..EExtended strand (participates in β ladder)trans-133.9140.7-179.847.70000111.1H124 S125 V126 S156H124-T152 PolarHBondContact O-N 2.66Å; H124-T152 PolarHBondContact O-OG1 3.19Å; S125-T152 WeakPolarHBondContact CA-O 3.38Å; S125-T152 WeakPolarHBondContact CA-OG1 3.16Å; S125-T152 WeakPolarHBondContact CB-OG1 3.36Å; S125-T152 PolarHBondContact OG-OG1 2.79Å; V126-T152 PolarHBondContact N-O 3.31Å; T152-S156 CarbonylContact C-O 3.23Å; T152-S156 VanDerWaalsContact CA-O 3.24Å; T152-S156 WeakPolarHBondContact CA-O 3.28Å
153M97.5Very high95.9Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-134.9128173.8177.1-177.1173.300108.2V126 Y139 R140 V143 I144 F155 S156 V158V126-M153 HydrophobicContact CG1-CG 4.45Å; V126-M153 CarbonylContact O-C 3.27Å; V126-M153 WeakPolarHBondContact O-CA 3.18Å; Y139-M153 HydrophobicContact CD1-CE 4.03Å; Y139-M153 HydrophobicContact CD2-CE 4.34Å; Y139-M153 HydrophobicContact CE1-CE 3.37Å; Y139-M153 HydrophobicContact CE2-CE 3.75Å; Y139-M153 HydrophobicContact CG-CE 4.46Å; Y139-M153 VanDerWaalsContact OH-CE 3.31Å; Y139-M153 WeakPolarHBondContact OH-CE 3.21Å; R140-M153 HydrophobicContact CB-CE 4.43Å; R140-M153 HydrophobicContact CG-CE 4.48Å; R140-M153 HydrophobicContact CG-SD 3.99Å; V143-M153 HydrophobicContact CB-CE 3.64Å; V143-M153 HydrophobicContact CB-SD 3.71Å; V143-M153 HydrophobicContact CG1-CE 3.79Å; V143-M153 HydrophobicContact CG1-CG 4.34Å; V143-M153 HydrophobicContact CG1-SD 3.56Å; V143-M153 VanDerWaalsContact CG1-SD 3.56Å; V143-M153 HydrophobicContact CG2-CE 3.72Å; V143-M153 HydrophobicContact CG2-SD 4.45Å; I144-M153 HydrophobicContact CG1-SD 4.25Å; M153-F155 VanDerWaalsContact C-N 3.26Å; M153-F155 PolarHBondContact O-N 2.83Å; M153-S156 PolarHBondContact N-O 3.35Å; M153-S156 PolarHBondContact O-N 2.87Å; M153-S156 VanDerWaalsContact O-O 3.1Å; M153-S156 PolarHBondContact O-OG 2.84Å; M153-V158 HydrophobicContact CB-CG2 4.03Å
154D97.2Very high95.8Very high29 Ų2952 Ų5216%0.15528%0.278CS..THydrogen-bonded Turntrans49.847.6-179.9-66.2-39.6000112.7V126 T127 L128 H129 Y139 S156V126-D154 PolarHBondContact O-N 2.79Å; T127-D154 VanDerWaalsContact CA-OD1 3.29Å; T127-D154 WeakPolarHBondContact CA-OD1 3.07Å; L128-D154 PolarHBondContact N-OD1 3.18Å; H129-D154 HydrophobicContact CB-CB 4.42Å; H129-D154 IonicContact CG-OD1 3.18Å; H129-D154 PolarHBondContact N-OD1 3.07Å; H129-D154 IonicContact ND1-OD1 3.59Å; H129-D154 PolarHBondContact ND1-OD1 3.1Å; Y139-D154 WeakPolarHBondContact CE1-OD2 3.34Å; Y139-D154 PolarHBondContact OH-OD2 3.17Å; D154-S156 PolarHBondContact O-N 2.61Å
155F94Very high95.5Very high124 Ų12455.7 Ų55.754%0.54430%0.297SS..THydrogen-bonded Turntrans60.81.9-177.3-48.8-60.7000116.1Y102 T127 H129 M153Y102-F155 HydrophobicContact CE1-CE1 4.13Å; Y102-F155 AromaticContact CZ-CE1 4Å; T127-F155 HydrophobicContact CG2-CD1 4.04Å; T127-F155 HydrophobicContact CG2-CE1 3.63Å; T127-F155 HydrophobicContact CG2-CE2 4.17Å; T127-F155 HydrophobicContact CG2-CG 4.46Å; T127-F155 HydrophobicContact CG2-CZ 3.71Å; H129-F155 AromaticContact CE1-CD2 3.9Å; H129-F155 AromaticContact CE1-CE2 3.35Å; H129-F155 WeakPolarHBondContact CE1-CE2 3.3Å; H129-F155 AromaticContact NE2-CE2 3.89Å; M153-F155 VanDerWaalsContact C-N 3.26Å; M153-F155 PolarHBondContact O-N 2.83Å
156S96.4Very high95.3Very high43 Ų4354.6 Ų54.630%0.30129%0.29SS..EExtended strand (participates in β ladder)trans-98.314417368.80000111.1R140 T152 M153 D154R140-S156 VanDerWaalsContact CZ-OG 3.32Å; R140-S156 PolarHBondContact NH1-OG 3.31Å; R140-S156 PolarHBondContact NH2-OG 2.94Å; R140-S156 VanDerWaalsContact NH2-OG 3.1Å; T152-S156 CarbonylContact C-O 3.23Å; T152-S156 VanDerWaalsContact CA-O 3.24Å; T152-S156 WeakPolarHBondContact CA-O 3.28Å; M153-S156 PolarHBondContact N-O 3.35Å; M153-S156 PolarHBondContact O-N 2.87Å; M153-S156 VanDerWaalsContact O-O 3.1Å; M153-S156 PolarHBondContact O-OG 2.84Å; D154-S156 PolarHBondContact O-N 2.61Å
157A97.4Very high95Very high65 Ų6560.2 Ų60.254%0.53731%0.312SS..EExtended strand (participates in β ladder)trans-67.7142.7173.800000110.8R140 T159R140-A157 PolarHBondContact NH2-O 2.88Å; A157-T159 PolarHBondContact O-N 2.8Å
158V97.3Very high94.6Very high11 Ų1164.9 Ų64.97%0.06734%0.336CS..  trans-87105170.2177.80000108.2I144 L150 K151 M153 R163I144-V158 HydrophobicContact CD1-CG1 4.02Å; I144-V158 HydrophobicContact CD1-CG2 4.36Å; I144-V158 HydrophobicContact CG1-CG1 4.04Å; I144-V158 HydrophobicContact CG1-CG2 4.18Å; I144-V158 HydrophobicContact CG2-CG1 3.86Å; L150-V158 HydrophobicContact CB-CG2 4.24Å; K151-V158 PolarHBondContact O-N 2.78Å; M153-V158 HydrophobicContact CB-CG2 4.03Å; V158-R163 HydrophobicContact CG1-CG 3.98Å; V158-R163 PolarHBondContact O-NH2 3.34Å; V158-R163 VanDerWaalsContact O-NH2 3.11Å
159T96.7Very high94.1Very high66 Ų6664 Ų6441%0.40532%0.322SS..  trans-74.5160.2-177.166.90000112A157 Q161 E162 R163A157-T159 PolarHBondContact O-N 2.8Å; T159-Q161 VanDerWaalsContact C-N 3.27Å; T159-Q161 PolarHBondContact O-N 2.92Å; T159-E162 WeakPolarHBondContact CB-OE2 3.37Å; T159-E162 PolarHBondContact N-OE2 3.01Å; T159-E162 PolarHBondContact O-N 3.49Å; T159-E162 VanDerWaalsContact OG1-CD 3.28Å; T159-E162 VanDerWaalsContact OG1-CG 3.22Å; T159-E162 WeakPolarHBondContact OG1-CG 3.4Å; T159-E162 PolarHBondContact OG1-N 3.44Å; T159-E162 PolarHBondContact OG1-OE2 3.46Å; T159-R163 WeakPolarHBondContact O-CG 3.2Å; T159-R163 PolarHBondContact O-N 3.36Å
160Q93.8Very high93.3Very high130 Ų13066.1 Ų66.161%0.60733%0.332SS*.Hα-helixtrans-61.8-37.3175-175.659.424.800112E162 R163 V164Q160-E162 PolarHBondContact O-N 3.33Å; Q160-R163 WeakPolarHBondContact O-CB 3.21Å; Q160-R163 PolarHBondContact O-N 3.43Å; Q160-V164 WeakPolarHBondContact O-CG2 3.26Å; Q160-V164 PolarHBondContact O-N 3.1Å; Q160-V164 VanDerWaalsContact O-N 3.09Å
161Q94.3Very high92.6Very high124 Ų12470.8 Ų70.858%0.57935%0.354SS*.Hα-helixtrans-60.6-46.5178.2-175.765.93.500111.3T159 R163 V164 L165T159-Q161 VanDerWaalsContact C-N 3.27Å; T159-Q161 PolarHBondContact O-N 2.92Å; Q161-R163 VanDerWaalsContact C-N 3.29Å; Q161-R163 PolarHBondContact O-N 3.42Å; Q161-V164 PolarHBondContact O-N 2.98Å; Q161-L165 HydrophobicContact CG-CD1 4.21Å; Q161-L165 WeakPolarHBondContact O-CG 3.35Å; Q161-L165 PolarHBondContact O-N 3.22Å
162E95.1Very high91.6Very high37 Ų3767 Ų6717%0.17335%0.345CS..Hα-helixtrans-62.6-36.6177.7-69.3164.3131.500112R140 I144 T159 Q160 L165 A166R140-E162 IonicContact CZ-OE1 3.54Å; R140-E162 IonicContact NE-OE1 2.88Å; R140-E162 PolarHBondContact NE-OE1 3.37Å; R140-E162 IonicContact NH2-OE1 3.11Å; R140-E162 PolarHBondContact NH2-OE1 3.09Å; R140-E162 IonicContact NH2-OE2 3.66Å; R140-E162 PolarHBondContact NH2-OE2 3.18Å; I144-E162 HydrophobicContact CD1-CB 3.88Å; I144-E162 HydrophobicContact CD1-CG 4.47Å; T159-E162 WeakPolarHBondContact CB-OE2 3.37Å; T159-E162 PolarHBondContact N-OE2 3.01Å; T159-E162 PolarHBondContact O-N 3.49Å; T159-E162 VanDerWaalsContact OG1-CD 3.28Å; T159-E162 VanDerWaalsContact OG1-CG 3.22Å; T159-E162 WeakPolarHBondContact OG1-CG 3.4Å; T159-E162 PolarHBondContact OG1-N 3.44Å; T159-E162 PolarHBondContact OG1-OE2 3.46Å; Q160-E162 PolarHBondContact O-N 3.33Å; E162-L165 PolarHBondContact O-N 3.35Å; E162-A166 WeakPolarHBondContact O-CB 3.38Å; E162-A166 PolarHBondContact O-N 3.45Å
163R94Very high90.4Very high52 Ų5268.1 Ų68.120%0.19635%0.349CS..Hα-helixtrans-62.9-42.9175-66.2-179.3-160.4-73.2-12.9112.2I144 P148 L150 V158 T159 Q160 Q161 K167I144-R163 HydrophobicContact CG2-CG 4.43Å; P148-R163 PolarHBondContact O-NH1 3.18Å; L150-R163 VanDerWaalsContact O-CZ 3.23Å; L150-R163 PolarHBondContact O-NH1 3.3Å; L150-R163 PolarHBondContact O-NH2 2.92Å; V158-R163 HydrophobicContact CG1-CG 3.98Å; V158-R163 PolarHBondContact O-NH2 3.34Å; V158-R163 VanDerWaalsContact O-NH2 3.11Å; T159-R163 WeakPolarHBondContact O-CG 3.2Å; T159-R163 PolarHBondContact O-N 3.36Å; Q160-R163 WeakPolarHBondContact O-CB 3.21Å; Q160-R163 PolarHBondContact O-N 3.43Å; Q161-R163 VanDerWaalsContact C-N 3.29Å; Q161-R163 PolarHBondContact O-N 3.42Å; R163-K167 VanDerWaalsContact O-CG 3.3Å; R163-K167 WeakPolarHBondContact O-CG 3.04Å; R163-K167 PolarHBondContact O-N 3.3Å
164V93.1Very high89Confident62 Ų6270.6 Ų70.638%0.37637%0.366SS..Hα-helixtrans-63.7-48.1178.2174.60000109.9Q160 Q161 A166 K167 L168Q160-V164 WeakPolarHBondContact O-CG2 3.26Å; Q160-V164 PolarHBondContact O-N 3.1Å; Q160-V164 VanDerWaalsContact O-N 3.09Å; Q161-V164 PolarHBondContact O-N 2.98Å; V164-A166 PolarHBondContact O-N 3.18Å; V164-K167 PolarHBondContact O-N 2.99Å; V164-L168 HydrophobicContact CG1-CD1 4.24Å; V164-L168 WeakPolarHBondContact O-CG 3.02Å; V164-L168 PolarHBondContact O-N 3.31Å
165L90.8Very high87.3Confident81 Ų8178 Ų7842%0.42439%0.392SS..Hα-helixtrans-61.6-43.4178.5-67.8174.3000112.4Q161 E162 K167 L168 W169Q161-L165 HydrophobicContact CG-CD1 4.21Å; Q161-L165 WeakPolarHBondContact O-CG 3.35Å; Q161-L165 PolarHBondContact O-N 3.22Å; E162-L165 PolarHBondContact O-N 3.35Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 3.32Å; L165-L168 PolarHBondContact O-N 3.03Å; L165-W169 WeakPolarHBondContact O-CB 3.48Å; L165-W169 PolarHBondContact O-N 2.9Å
166A90.5Very high85.4Confident1 Ų175.8 Ų75.81%0.00839%0.391CS..Hα-helixtrans-62.5-39177.500000112.3I144 E162 V164 W169 H170I144-A166 HydrophobicContact CB-CB 4.15Å; I144-A166 HydrophobicContact CG2-CB 3.74Å; E162-A166 WeakPolarHBondContact O-CB 3.38Å; E162-A166 PolarHBondContact O-N 3.45Å; V164-A166 PolarHBondContact O-N 3.18Å; A166-W169 PolarHBondContact O-N 3.13Å; A166-H170 PolarHBondContact O-N 3.07Å
167K88.9Confident83.5Confident129 Ų12982.8 Ų82.856%0.56141%0.411SS*.Hα-helixtrans-63.8-45.8174.4-75.7174.7179.8-175.70112.1R163 V164 L165 W169 H170 Q171R163-K167 VanDerWaalsContact O-CG 3.3Å; R163-K167 WeakPolarHBondContact O-CG 3.04Å; R163-K167 PolarHBondContact O-N 3.3Å; V164-K167 PolarHBondContact O-N 2.99Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 3.32Å; K167-W169 VanDerWaalsContact C-N 3.32Å; K167-W169 PolarHBondContact O-N 3.1Å; K167-H170 PolarHBondContact O-N 2.73Å; K167-Q171 WeakPolarHBondContact O-CG 3.47Å; K167-Q171 PolarHBondContact O-N 3.34Å; K167-Q171 VanDerWaalsContact O-N 3.15Å
168L87.9Confident81.5Confident97 Ų9783.6 Ų83.651%0.50841%0.413SS..Hα-helixtrans-62.4-41.6177.5-67.8174.2000111.4V164 L165 H170 Q171 S172V164-L168 HydrophobicContact CG1-CD1 4.24Å; V164-L168 WeakPolarHBondContact O-CG 3.02Å; V164-L168 PolarHBondContact O-N 3.31Å; L165-L168 PolarHBondContact O-N 3.03Å; L168-H170 VanDerWaalsContact C-N 3.33Å; L168-H170 PolarHBondContact O-N 3.18Å; L168-Q171 PolarHBondContact O-N 3.14Å; L168-S172 PolarHBondContact O-N 3.35Å; L168-S172 PolarHBondContact O-OG 3.48Å
169W82.7Confident79.3Confident62 Ų6286.6 Ų86.624%0.23543%0.434CS..Hα-helixtrans-61.4-39.1175.5-176.891.6000112.6T138 R142 L165 A166 K167 S172 N173T138-W169 HydrophobicContact CG2-CZ2 4.11Å; R142-W169 HydrophobicContact CB-CH2 4.18Å; R142-W169 HydrophobicContact CB-CZ3 4.46Å; R142-W169 HydrophobicContact CG-CH2 4.3Å; L165-W169 WeakPolarHBondContact O-CB 3.48Å; L165-W169 PolarHBondContact O-N 2.9Å; A166-W169 PolarHBondContact O-N 3.13Å; K167-W169 VanDerWaalsContact C-N 3.32Å; K167-W169 PolarHBondContact O-N 3.1Å; W169-S172 PolarHBondContact O-OG 2.93Å; W169-N173 WeakPolarHBondContact CH2-ND2 3.47Å; W169-N173 WeakPolarHBondContact CZ2-ND2 3.48Å; W169-N173 WeakPolarHBondContact O-CB 3.38Å; W169-N173 PolarHBondContact O-N 3.04Å; W169-N173 VanDerWaalsContact O-N 3.11Å
170H79.9Confident77.1Confident97 Ų9793.1 Ų93.145%0.44945%0.451SS..Hα-helixtrans-64.8-41176.1-17080.1000112.2S145 A166 K167 L168 S174S145-H170 PolarHBondContact OG-ND1 3.25Å; A166-H170 PolarHBondContact O-N 3.07Å; K167-H170 PolarHBondContact O-N 2.73Å; L168-H170 VanDerWaalsContact C-N 3.33Å; L168-H170 PolarHBondContact O-N 3.18Å; H170-S174 WeakPolarHBondContact O-CB 3.31Å; H170-S174 PolarHBondContact O-N 2.86Å; H170-S174 PolarHBondContact O-OG 3.31Å
171Q80.8Confident75Confident99 Ų9995.5 Ų95.546%0.46346%0.46SS..Hα-helixtrans-68.5-39.5179.5-68.8173.28.300112.4K167 L168 S174 R175K167-Q171 WeakPolarHBondContact O-CG 3.47Å; K167-Q171 PolarHBondContact O-N 3.34Å; K167-Q171 VanDerWaalsContact O-N 3.15Å; L168-Q171 PolarHBondContact O-N 3.14Å; Q171-S174 WeakPolarHBondContact CA-OG 3.28Å; Q171-S174 PolarHBondContact O-OG 2.67Å; Q171-R175 WeakPolarHBondContact O-CB 3.31Å; Q171-R175 VanDerWaalsContact O-CG 3.26Å; Q171-R175 WeakPolarHBondContact O-CG 3.26Å; Q171-R175 PolarHBondContact O-N 3.47Å; Q171-R175 VanDerWaalsContact O-N 3.14Å
172S78.2Confident72.9Confident57 Ų5794.3 Ų94.340%0.39947%0.465SS..Hα-helixtrans-68.6-42.217762.20000111.8L168 W169 R175 C176L168-S172 PolarHBondContact O-N 3.35Å; L168-S172 PolarHBondContact O-OG 3.48Å; W169-S172 PolarHBondContact O-OG 2.93Å; S172-R175 PolarHBondContact O-N 3.04Å; S172-C176 PolarHBondContact O-N 3.03Å
173N72.9Confident70.5Confident65 Ų6599.2 Ų99.235%0.34849%0.492SS..Hα-helixtrans-70.5-32.5178.5-83.8-11.6000114W169 R177W169-N173 WeakPolarHBondContact CH2-ND2 3.47Å; W169-N173 WeakPolarHBondContact CZ2-ND2 3.48Å; W169-N173 WeakPolarHBondContact O-CB 3.38Å; W169-N173 PolarHBondContact O-N 3.04Å; W169-N173 VanDerWaalsContact O-N 3.11Å; N173-R177 VanDerWaalsContact O-CG 3.31Å; N173-R177 WeakPolarHBondContact O-CG 3.26Å; N173-R177 PolarHBondContact O-N 3.44Å
174S67Low67.8Low51 Ų51108.6 Ų108.636%0.35754%0.537SS..Hα-helixtrans-69.9-41.9173.946.90000111.6H170 Q171 R177 S178H170-S174 WeakPolarHBondContact O-CB 3.31Å; H170-S174 PolarHBondContact O-N 2.86Å; H170-S174 PolarHBondContact O-OG 3.31Å; Q171-S174 WeakPolarHBondContact CA-OG 3.28Å; Q171-S174 PolarHBondContact O-OG 2.67Å; S174-R177 PolarHBondContact O-N 3.07Å; S174-S178 PolarHBondContact O-N 3.45Å; S174-S178 VanDerWaalsContact O-N 3.13Å; S174-S178 PolarHBondContact O-OG 2.76Å
175R60.9Low66.6Low184 Ų184110.9 Ų110.969%0.69455%0.545SS*.Hα-helixtrans-60-48.1174.6-74175.6178.7-167-0112.3Q171 S172 R177 S178 S179Q171-R175 WeakPolarHBondContact O-CB 3.31Å; Q171-R175 VanDerWaalsContact O-CG 3.26Å; Q171-R175 WeakPolarHBondContact O-CG 3.26Å; Q171-R175 PolarHBondContact O-N 3.47Å; Q171-R175 VanDerWaalsContact O-N 3.14Å; S172-R175 PolarHBondContact O-N 3.04Å; R175-R177 VanDerWaalsContact C-N 3.26Å; R175-R177 PolarHBondContact O-N 2.75Å; R175-S178 PolarHBondContact O-N 3.42Å; R175-S179 PolarHBondContact O-N 3.18Å; R175-S179 PolarHBondContact O-OG 3.22Å
176C54.3Low65.3Low78 Ų78112.5 Ų112.553%0.52755%0.552SS.*Hα-helixtrans-64.2-25.9177.9-77.70000114.2S172S172-C176 PolarHBondContact O-N 3.03Å
177R56.7Low63.9Low190 Ų190118.7 Ų118.772%0.71758%0.582SS**Hα-helixtrans-78.8-34.8175.8-75.2175.71171771.9112.5N173 S174 R175 R180 K181N173-R177 VanDerWaalsContact O-CG 3.31Å; N173-R177 WeakPolarHBondContact O-CG 3.26Å; N173-R177 PolarHBondContact O-N 3.44Å; S174-R177 PolarHBondContact O-N 3.07Å; R175-R177 VanDerWaalsContact C-N 3.26Å; R175-R177 PolarHBondContact O-N 2.75Å; R177-R180 PolarHBondContact O-N 2.69Å; R177-K181 PolarHBondContact O-N 3.5Å
178S55.4Low62.4Low83 Ų83118.1 Ų118.158%0.5858%0.583SS**Hα-helixtrans-66.9-37.9175.3-62.30000112.2S174 R175 R180 K181S174-S178 PolarHBondContact O-N 3.45Å; S174-S178 VanDerWaalsContact O-N 3.13Å; S174-S178 PolarHBondContact O-OG 2.76Å; R175-S178 PolarHBondContact O-N 3.42Å; S178-R180 VanDerWaalsContact C-N 3.25Å; S178-R180 PolarHBondContact O-N 3.47Å; S178-K181 PolarHBondContact O-N 2.84Å
179S51.7Low60.8Low73 Ų73119.4 Ų119.451%0.5159%0.588SS.*Hα-helixtrans-65.7-25.1177.1-38.80000113.9R175R175-S179 PolarHBondContact O-N 3.18Å; R175-S179 PolarHBondContact O-OG 3.22Å
180R49.6Very low59.4Low204 Ų204123.2 Ų123.277%0.7761%0.611SS**Hα-helixtrans-83.2-19.8176.7-83.5179.7169.6146.2-3.4113.6R177 S178R177-R180 PolarHBondContact O-N 2.69Å; S178-R180 VanDerWaalsContact C-N 3.25Å; S178-R180 PolarHBondContact O-N 3.47Å
181K49.8Very low57.9Low180 Ų180125.1 Ų125.178%0.78362%0.623SS**Hα-helixtrans-88.5-12.5178.3-73.8-171.7175.6-171.50113.8R177 S178 L183R177-K181 PolarHBondContact O-N 3.5Å; S178-K181 PolarHBondContact O-N 2.84Å; K181-L183 VanDerWaalsContact C-N 3.35Å
182S49.9Very low56.1Low98 Ų98127.1 Ų127.169%0.68564%0.635SS**SBendtrans-93.211.6176.4810000114
183L46Very low54.3Low140 Ų140132.9 Ų132.973%0.73366%0.655SS**  trans-11312.8-179-83.6156.5000112.7K181K181-L183 VanDerWaalsContact C-N 3.35Å
184H37.4Very low52.6Low249 Ų249139.1 Ų139.1100%1.15368%0.683SS**  trans-130.80169.7-87.817000109.4

Retrieved 184 of 184 residues in 155.2 ms (Link to these results)

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