A0A096LTI7_POEFO Loading...

Membrane anchored junction protein

AlphaFold DB , UniProt , Accession A0A096LTI7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 241 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
1M54.5Low84.2Confident198 Ų19879.4 Ų79.498%0.97546%0.461SS*.  0135.10-74-171.3167.700107R53M1-R53 PolarHBondContact O-NH2 2.88Å
2A72.8Confident85Confident94 Ų9475.6 Ų75.678%0.77744%0.436SS*.PPolyproline II helixtrans-69.3132.517600000110
3L85.4Confident85.8Confident56 Ų5674 Ų7429%0.29343%0.428SS..PPolyproline II helixtrans-78.3162.2173.7-61.6178.3000110F6 F16 E49L3-F6 HydrophobicContact CD1-CE2 4.38Å; L3-F6 HydrophobicContact CD1-CZ 3.86Å; L3-F16 HydrophobicContact CD1-CD1 4.35Å; L3-F16 HydrophobicContact CD1-CE1 3.56Å; L3-F16 HydrophobicContact CD1-CZ 4.1Å; L3-F16 HydrophobicContact CD2-CD1 4.05Å; L3-F16 HydrophobicContact CD2-CE1 3.81Å; L3-F16 HydrophobicContact CG-CE1 4.27Å; L3-E49 HydrophobicContact CB-CG 4.49Å; L3-E49 HydrophobicContact CD1-CB 4.04Å; L3-E49 HydrophobicContact CD1-CG 3.71Å; L3-E49 HydrophobicContact CG-CG 3.95Å; L3-E49 PolarHBondContact N-OE2 2.83Å
4R88.4Confident86.4Confident135 Ų13571.1 Ų71.151%0.50941%0.407SS..PPolyproline II helixtrans-63.2150.1168.7-71.4-175.5176-174.7-2.7109.3F6 R14 C224R4-F6 PolarHBondContact O-N 3.27Å; R4-R14 PolarHBondContact O-NH1 3.4Å; R4-C224 VanDerWaalsContact NH2-CB 3.34Å; R4-C224 PolarHBondContact NH2-SG 3.43Å
5P90.3Very high86.8Confident91 Ų9170.3 Ų70.359%0.59140%0.397SS*.PPolyproline II helixtrans-55.4138.7173-25.735.1000111.6R14 D45P5-R14 PolarHBondContact O-NH2 2.82Å; P5-D45 WeakPolarHBondContact CA-OD1 3.4Å
6F90.6Very high87.1Confident18 Ų1867.4 Ų67.48%0.07938%0.379CS..PPolyproline II helixtrans-79.1153.2179.1-65.4-92000111.3L3 R4 F8 E12 R14 F16 I27 D45 I48 E49 V52L3-F6 HydrophobicContact CD1-CE2 4.38Å; L3-F6 HydrophobicContact CD1-CZ 3.86Å; R4-F6 PolarHBondContact O-N 3.27Å; F6-F8 HydrophobicContact CB-CB 4.44Å; F6-F8 PolarHBondContact O-N 3.29Å; F6-E12 VanDerWaalsContact CA-OE2 3.28Å; F6-E12 WeakPolarHBondContact CA-OE2 3.11Å; F6-R14 VanDerWaalsContact CD1-CZ 3.48Å; F6-R14 VanDerWaalsContact CE1-NH1 3.27Å; F6-F16 HydrophobicContact CE1-CZ 4.21Å; F6-F16 HydrophobicContact CZ-CZ 4.39Å; F6-I27 HydrophobicContact CD1-CD1 3.46Å; F6-I27 VanDerWaalsContact CD1-CD1 3.46Å; F6-I27 HydrophobicContact CE1-CD1 3.36Å; F6-I27 HydrophobicContact CZ-CD1 4.49Å; F6-D45 HydrophobicContact CD2-CB 4.4Å; F6-D45 PolarHBondContact N-OD1 3.49Å; F6-I48 HydrophobicContact CB-CD1 4.27Å; F6-I48 HydrophobicContact CD1-CG2 3.8Å; F6-I48 HydrophobicContact CD2-CB 3.91Å; F6-I48 HydrophobicContact CD2-CG2 3.74Å; F6-I48 HydrophobicContact CE1-CG2 3.71Å; F6-I48 HydrophobicContact CE2-CB 3.95Å; F6-I48 HydrophobicContact CE2-CG2 3.66Å; F6-I48 HydrophobicContact CG-CB 4.34Å; F6-I48 HydrophobicContact CG-CD1 4.46Å; F6-I48 HydrophobicContact CG-CG2 3.8Å; F6-I48 HydrophobicContact CZ-CB 4.4Å; F6-I48 HydrophobicContact CZ-CG2 3.64Å; F6-E49 HydrophobicContact CE2-CB 4.25Å; F6-V52 HydrophobicContact CZ-CG2 4.38Å
7S88.7Confident87.2Confident56 Ų5669.2 Ų69.239%0.39239%0.392SS..  trans-84.820.517564.40000112.8S10 E12S7-S10 WeakPolarHBondContact O-CA 2.84Å; S7-S10 WeakPolarHBondContact O-CB 3.43Å; S7-S10 PolarHBondContact O-N 2.58Å; S7-E12 PolarHBondContact N-OE2 3.23Å; S7-E12 WeakPolarHBondContact OG-CB 3.39Å; S7-E12 VanDerWaalsContact OG-CD 3.3Å; S7-E12 WeakPolarHBondContact OG-CG 3.45Å; S7-E12 PolarHBondContact OG-OE2 3.32Å
8F86.1Confident87.2Confident21 Ų2167.3 Ų67.39%0.09239%0.386CS..THydrogen-bonded Turntrans-63.3137-178.1-172.2-91.8000110.3F6 I27 F33 F44 I48 F70 L101F6-F8 HydrophobicContact CB-CB 4.44Å; F6-F8 PolarHBondContact O-N 3.29Å; F8-I27 HydrophobicContact CD2-CG2 4.35Å; F8-F33 AromaticContact CE1-CD1 3.76Å; F8-F33 HydrophobicContact CE1-CD1 3.76Å; F8-F33 AromaticContact CE1-CE1 3.86Å; F8-F33 HydrophobicContact CE1-CE1 3.86Å; F8-F33 HydrophobicContact CE1-CG 4.13Å; F8-F33 HydrophobicContact CE1-CZ 4.32Å; F8-F33 AromaticContact CZ-CD1 3.82Å; F8-F33 HydrophobicContact CZ-CD1 3.82Å; F8-F33 AromaticContact CZ-CD2 3.81Å; F8-F33 HydrophobicContact CZ-CD2 3.81Å; F8-F33 AromaticContact CZ-CE1 3.81Å; F8-F33 HydrophobicContact CZ-CE1 3.81Å; F8-F33 AromaticContact CZ-CE2 3.81Å; F8-F33 HydrophobicContact CZ-CE2 3.81Å; F8-F33 AromaticContact CZ-CG 3.83Å; F8-F33 HydrophobicContact CZ-CG 3.83Å; F8-F33 AromaticContact CZ-CZ 3.82Å; F8-F33 HydrophobicContact CZ-CZ 3.82Å; F8-F44 HydrophobicContact CD1-CD2 4.04Å; F8-F44 HydrophobicContact CE1-CD2 4.24Å; F8-I48 HydrophobicContact CB-CD1 3.61Å; F8-I48 HydrophobicContact CD1-CD1 4.27Å; F8-I48 HydrophobicContact CD2-CD1 4.19Å; F8-I48 HydrophobicContact CG-CD1 3.75Å; F8-F70 HydrophobicContact CD1-CE1 4.5Å; F8-F70 HydrophobicContact CD1-CZ 4.43Å; F8-F70 AromaticContact CE1-CE1 3.66Å; F8-F70 HydrophobicContact CE1-CE1 3.66Å; F8-F70 AromaticContact CE1-CZ 3.97Å; F8-F70 HydrophobicContact CE1-CZ 3.97Å; F8-F70 HydrophobicContact CE2-CE1 4.44Å; F8-F70 AromaticContact CZ-CE1 3.62Å; F8-F70 HydrophobicContact CZ-CE1 3.62Å; F8-F70 HydrophobicContact CZ-CZ 4.32Å; F8-L101 HydrophobicContact CD2-CD1 4.04Å; F8-L101 HydrophobicContact CE2-CB 4.13Å; F8-L101 HydrophobicContact CE2-CD1 3.76Å; F8-L101 HydrophobicContact CE2-CG 4.49Å; F8-L101 HydrophobicContact CZ-CB 4.48Å; F8-L101 HydrophobicContact CZ-CD1 4.48Å
9P88.1Confident87Confident34 Ų3471.5 Ų71.522%0.22141%0.407CS..THydrogen-bonded Turncis-84.8-4.71534-34.9000115.4F33 V38P9-F33 HydrophobicContact CB-CB 3.98Å; P9-V38 HydrophobicContact CB-CG2 4.41Å; P9-V38 HydrophobicContact CG-CG2 4.07Å
10S89.2Confident87Confident70 Ų7071.8 Ų71.849%0.4941%0.413SS..SBendtrans-63.6136.4179.7-65.10000111S7 E12S7-S10 WeakPolarHBondContact O-CA 2.84Å; S7-S10 WeakPolarHBondContact O-CB 3.43Å; S7-S10 PolarHBondContact O-N 2.58Å; S10-E12 PolarHBondContact O-N 3.03Å
11P92.1Very high87Confident100 Ų10070.4 Ų70.465%0.64940%0.404SS*.  trans-54.7128.5177.4-26.734.4000112I27 R28P11-I27 WeakPolarHBondContact CA-O 3.33Å; P11-R28 HydrophobicContact CB-CG 4.48Å
12E93.6Very high88.8Confident34 Ų3461.4 Ų61.416%0.15936%0.36CS..EExtended strand (participates in β ladder)trans-125.4145.6-176.5-161.6174.5179.800111.2F6 S7 S10 R14 K26 I27F6-E12 VanDerWaalsContact CA-OE2 3.28Å; F6-E12 WeakPolarHBondContact CA-OE2 3.11Å; S7-E12 PolarHBondContact N-OE2 3.23Å; S7-E12 WeakPolarHBondContact OG-CB 3.39Å; S7-E12 VanDerWaalsContact OG-CD 3.3Å; S7-E12 WeakPolarHBondContact OG-CG 3.45Å; S7-E12 PolarHBondContact OG-OE2 3.32Å; S10-E12 PolarHBondContact O-N 3.03Å; E12-R14 HydrophobicContact CG-CG 4.19Å; E12-R14 IonicContact OE1-CZ 3.74Å; E12-R14 IonicContact OE1-NE 3.92Å; E12-R14 PolarHBondContact OE1-NE 3.18Å; E12-R14 IonicContact OE1-NH2 2.72Å; E12-R14 PolarHBondContact OE1-NH2 3.39Å; E12-R14 IonicContact OE2-CZ 3.9Å; E12-R14 IonicContact OE2-NE 2.74Å; E12-R14 PolarHBondContact OE2-NE 2.9Å; E12-R14 IonicContact OE2-NH2 3.93Å; E12-R14 PolarHBondContact OE2-NH2 3.26Å; E12-K26 CarbonylContact O-C 3.55Å; E12-K26 WeakPolarHBondContact O-CA 3.26Å; E12-I27 PolarHBondContact N-O 2.96Å; E12-I27 PolarHBondContact O-N 3.38Å
13T95.2Very high89.8Confident55 Ų5557.7 Ų57.734%0.33733%0.326SS..EExtended strand (participates in β ladder)trans-120.4126168.5-61.30000109.7K24 F25 K26T13-K24 HydrophobicContact CG2-CG 4.19Å; T13-F25 CarbonylContact C-O 3.59Å; T13-F25 VanDerWaalsContact CA-O 3.26Å; T13-F25 WeakPolarHBondContact CA-O 3.49Å; T13-K26 HydrophobicContact CG2-CG 4.23Å
14R94.2Very high90.2Very high34 Ų3456.9 Ų56.913%0.12832%0.32CS..EExtended strand (participates in β ladder)trans-126.8153.3-179.9-71.2-168.4173.9-171.6-8.6112.5R4 P5 F6 E12 F16 F25R4-R14 PolarHBondContact O-NH1 3.4Å; P5-R14 PolarHBondContact O-NH2 2.82Å; F6-R14 VanDerWaalsContact CD1-CZ 3.48Å; F6-R14 VanDerWaalsContact CE1-NH1 3.27Å; E12-R14 HydrophobicContact CG-CG 4.19Å; E12-R14 IonicContact OE1-CZ 3.74Å; E12-R14 IonicContact OE1-NE 3.92Å; E12-R14 PolarHBondContact OE1-NE 3.18Å; E12-R14 IonicContact OE1-NH2 2.72Å; E12-R14 PolarHBondContact OE1-NH2 3.39Å; E12-R14 IonicContact OE2-CZ 3.9Å; E12-R14 IonicContact OE2-NE 2.74Å; E12-R14 PolarHBondContact OE2-NE 2.9Å; E12-R14 IonicContact OE2-NH2 3.93Å; E12-R14 PolarHBondContact OE2-NH2 3.26Å; R14-F16 HydrophobicContact CB-CE1 4.47Å; R14-F16 HydrophobicContact CB-CE2 3.85Å; R14-F16 HydrophobicContact CB-CZ 3.8Å; R14-F16 HydrophobicContact CG-CZ 4.48Å; R14-F25 PolarHBondContact N-O 3.31Å; R14-F25 PolarHBondContact O-N 2.67Å
15F92.4Very high90.6Very high59 Ų5950.4 Ų50.426%0.25930%0.296SS..EExtended strand (participates in β ladder)trans-112.3127.1170.8-60.7-85000109.1I22 Y23 K24 W79 L223F15-I22 HydrophobicContact CB-CG2 4.1Å; F15-I22 HydrophobicContact CD1-CG2 3.98Å; F15-I22 HydrophobicContact CG-CG2 4.46Å; F15-Y23 CarbonylContact C-O 3.49Å; F15-Y23 WeakPolarHBondContact CA-O 3.45Å; F15-K24 HydrophobicContact CD1-CB 3.97Å; F15-K24 HydrophobicContact CD1-CG 4.28Å; F15-K24 HydrophobicContact CE1-CB 3.76Å; F15-K24 HydrophobicContact CE1-CD 3.87Å; F15-K24 HydrophobicContact CE1-CG 3.72Å; F15-K24 HydrophobicContact CZ-CD 4.24Å; F15-K24 HydrophobicContact CZ-CG 4.25Å; F15-W79 AromaticContact CD1-CH2 3.86Å; F15-W79 HydrophobicContact CD1-CH2 3.86Å; F15-W79 HydrophobicContact CD1-CZ2 4.35Å; F15-W79 AromaticContact CE1-CH2 3.5Å; F15-W79 HydrophobicContact CE1-CH2 3.5Å; F15-W79 VanDerWaalsContact CE1-CH2 3.5Å; F15-W79 AromaticContact CE1-CZ2 3.53Å; F15-W79 HydrophobicContact CE1-CZ2 3.53Å; F15-W79 HydrophobicContact CZ-CZ2 4.41Å; F15-L223 HydrophobicContact CB-CD1 4.32Å; F15-L223 HydrophobicContact CB-CD2 4.17Å; F15-L223 WeakPolarHBondContact O-CD2 3.43Å
16F91.6Very high90.9Very high24 Ų2448.7 Ų48.711%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-112.4147.2175.3-60.4-71.8000109.4L3 F6 R14 I22 Y23 F25 V52L3-F16 HydrophobicContact CD1-CD1 4.35Å; L3-F16 HydrophobicContact CD1-CE1 3.56Å; L3-F16 HydrophobicContact CD1-CZ 4.1Å; L3-F16 HydrophobicContact CD2-CD1 4.05Å; L3-F16 HydrophobicContact CD2-CE1 3.81Å; L3-F16 HydrophobicContact CG-CE1 4.27Å; F6-F16 HydrophobicContact CE1-CZ 4.21Å; F6-F16 HydrophobicContact CZ-CZ 4.39Å; R14-F16 HydrophobicContact CB-CE1 4.47Å; R14-F16 HydrophobicContact CB-CE2 3.85Å; R14-F16 HydrophobicContact CB-CZ 3.8Å; R14-F16 HydrophobicContact CG-CZ 4.48Å; F16-I22 CarbonylContact O-C 3.58Å; F16-I22 WeakPolarHBondContact O-CA 3.31Å; F16-Y23 PolarHBondContact N-O 3.14Å; F16-Y23 PolarHBondContact O-N 2.83Å; F16-F25 HydrophobicContact CD2-CB 4.07Å; F16-F25 AromaticContact CD2-CD2 3.43Å; F16-F25 HydrophobicContact CD2-CD2 3.43Å; F16-F25 VanDerWaalsContact CD2-CD2 3.43Å; F16-F25 AromaticContact CD2-CE2 3.96Å; F16-F25 HydrophobicContact CD2-CE2 3.96Å; F16-F25 AromaticContact CD2-CG 3.81Å; F16-F25 HydrophobicContact CD2-CG 3.81Å; F16-F25 HydrophobicContact CE2-CB 3.7Å; F16-F25 HydrophobicContact CE2-CD1 4.34Å; F16-F25 AromaticContact CE2-CD2 3.86Å; F16-F25 HydrophobicContact CE2-CD2 3.86Å; F16-F25 AromaticContact CE2-CG 3.71Å; F16-F25 HydrophobicContact CE2-CG 3.71Å; F16-V52 HydrophobicContact CD2-CG1 3.98Å; F16-V52 HydrophobicContact CE1-CG1 4.46Å; F16-V52 HydrophobicContact CE2-CG1 3.72Å; F16-V52 HydrophobicContact CE2-CG2 4.21Å; F16-V52 HydrophobicContact CG-CG1 4.43Å; F16-V52 HydrophobicContact CZ-CG1 3.98Å; F16-V52 HydrophobicContact CZ-CG2 4.28Å
17T89.6Confident91.1Very high98 Ų9848 Ų4860%0.60128%0.276SS*.EExtended strand (participates in β ladder)trans-117.3121.917848.20000109.4L21 I22T17-L21 WeakPolarHBondContact CA-O 3.26Å; T17-I22 HydrophobicContact CG2-CG1 3.94Å
18A87.1Confident91.4Very high35 Ų3550.2 Ų50.229%0.28928%0.276SS..EExtended strand (participates in β ladder)trans-147.2139.9173.600000108.7S20 L21 Y23A18-S20 VanDerWaalsContact C-N 3.28Å; A18-S20 PolarHBondContact O-N 2.81Å; A18-S20 VanDerWaalsContact O-N 3.14Å; A18-L21 PolarHBondContact N-O 2.98Å; A18-L21 WeakPolarHBondContact O-CA 3.44Å; A18-L21 WeakPolarHBondContact O-CB 3.29Å; A18-L21 PolarHBondContact O-N 3.04Å; A18-Y23 HydrophobicContact CB-CD2 4.47Å; A18-Y23 HydrophobicContact CB-CE2 3.87Å
19D83.6Confident91.6Very high147 Ų14750.3 Ų50.379%0.78628%0.283SS*.THydrogen-bonded Turntrans50.541.2175.1-53.3-29000115.3L21D19-L21 PolarHBondContact O-N 3.22Å
20S85.8Confident91.4Very high76 Ų7649.6 Ų49.653%0.53128%0.282SS..THydrogen-bonded Turntrans64.513.2-175.8-430000115.3A18 L90 S91A18-S20 VanDerWaalsContact C-N 3.28Å; A18-S20 PolarHBondContact O-N 2.81Å; A18-S20 VanDerWaalsContact O-N 3.14Å; S20-L90 VanDerWaalsContact O-CA 3.26Å; S20-L90 WeakPolarHBondContact O-CA 3.29Å; S20-S91 PolarHBondContact O-N 3.37Å
21L88.3Confident91.1Very high43 Ų4354.6 Ų54.623%0.22530%0.303CS..EExtended strand (participates in β ladder)trans-108.7141.5174.1-77162.9000111T17 A18 D19 Y23 S91T17-L21 WeakPolarHBondContact CA-O 3.26Å; A18-L21 PolarHBondContact N-O 2.98Å; A18-L21 WeakPolarHBondContact O-CA 3.44Å; A18-L21 WeakPolarHBondContact O-CB 3.29Å; A18-L21 PolarHBondContact O-N 3.04Å; D19-L21 PolarHBondContact O-N 3.22Å; L21-Y23 HydrophobicContact CB-CD2 4.37Å; L21-Y23 HydrophobicContact CB-CE2 3.6Å; L21-Y23 WeakPolarHBondContact CD1-OH 3.48Å; L21-S91 CarbonylContact C-O 3.49Å; L21-S91 VanDerWaalsContact CA-O 3.29Å; L21-S91 WeakPolarHBondContact CA-O 3.45Å; L21-S91 WeakPolarHBondContact CD2-OG 3.32Å
22I91.5Very high90.4Very high10 Ų1052.6 Ų52.65%0.05129%0.291CS..EExtended strand (participates in β ladder)trans-99.6119.8169.4-60.8163.2000108.3F15 F16 T17 L90 S91 F92 Y93F15-I22 HydrophobicContact CB-CG2 4.1Å; F15-I22 HydrophobicContact CD1-CG2 3.98Å; F15-I22 HydrophobicContact CG-CG2 4.46Å; F16-I22 CarbonylContact O-C 3.58Å; F16-I22 WeakPolarHBondContact O-CA 3.31Å; T17-I22 HydrophobicContact CG2-CG1 3.94Å; I22-L90 HydrophobicContact CD1-CB 3.94Å; I22-L90 HydrophobicContact CD1-CD1 4.22Å; I22-L90 HydrophobicContact CG1-CB 4.23Å; I22-L90 HydrophobicContact CG1-CD1 4.39Å; I22-S91 PolarHBondContact N-O 3.44Å; I22-F92 HydrophobicContact CB-CD1 3.62Å; I22-F92 HydrophobicContact CB-CE1 3.84Å; I22-F92 HydrophobicContact CB-CG 4.44Å; I22-F92 HydrophobicContact CD1-CD1 4.12Å; I22-F92 HydrophobicContact CD1-CE1 3.65Å; I22-F92 HydrophobicContact CD1-CE2 4.36Å; I22-F92 HydrophobicContact CD1-CZ 3.79Å; I22-F92 HydrophobicContact CG1-CD1 4.46Å; I22-F92 HydrophobicContact CG1-CE1 4.36Å; I22-F92 HydrophobicContact CG2-CD1 3.75Å; I22-F92 HydrophobicContact CG2-CE1 3.68Å; I22-Y93 PolarHBondContact O-N 3.15Å
23Y93.4Very high89.6Confident15 Ų1552.4 Ų52.46%0.05929%0.29CS..EExtended strand (participates in β ladder)trans-102.1133.2177.5-58.8-92.6000109.8F15 F16 A18 L21 L56 L59 Y93 I97F15-Y23 CarbonylContact C-O 3.49Å; F15-Y23 WeakPolarHBondContact CA-O 3.45Å; F16-Y23 PolarHBondContact N-O 3.14Å; F16-Y23 PolarHBondContact O-N 2.83Å; A18-Y23 HydrophobicContact CB-CD2 4.47Å; A18-Y23 HydrophobicContact CB-CE2 3.87Å; L21-Y23 HydrophobicContact CB-CD2 4.37Å; L21-Y23 HydrophobicContact CB-CE2 3.6Å; L21-Y23 WeakPolarHBondContact CD1-OH 3.48Å; Y23-L56 HydrophobicContact CD1-CD2 3.71Å; Y23-L56 HydrophobicContact CD2-CD2 3.98Å; Y23-L56 HydrophobicContact CE1-CD2 4.01Å; Y23-L56 HydrophobicContact CE2-CD2 4.26Å; Y23-L56 HydrophobicContact CG-CD2 3.69Å; Y23-L59 HydrophobicContact CD1-CD1 4.36Å; Y23-L59 HydrophobicContact CE1-CD1 3.6Å; Y23-Y93 AromaticContact CD1-CD1 3.87Å; Y23-Y93 HydrophobicContact CD1-CD1 3.87Å; Y23-Y93 HydrophobicContact CD1-CD2 4.26Å; Y23-Y93 AromaticContact CD1-CG 3.66Å; Y23-Y93 HydrophobicContact CD1-CG 3.66Å; Y23-Y93 HydrophobicContact CE1-CD1 4.2Å; Y23-Y93 AromaticContact CE1-CD2 3.81Å; Y23-Y93 HydrophobicContact CE1-CD2 3.81Å; Y23-Y93 HydrophobicContact CE1-CE2 4.43Å; Y23-Y93 AromaticContact CE1-CG 3.7Å; Y23-Y93 HydrophobicContact CE1-CG 3.7Å; Y23-I97 HydrophobicContact CD1-CD1 4.4Å
24K94.9Very high88.4Confident39 Ų3952 Ų5217%0.1729%0.289CS..EExtended strand (participates in β ladder)trans-99.6120.3172.6179.5176.2-179.2176.90109.8T13 F15 W79 A96 I97T13-K24 HydrophobicContact CG2-CG 4.19Å; F15-K24 HydrophobicContact CD1-CB 3.97Å; F15-K24 HydrophobicContact CD1-CG 4.28Å; F15-K24 HydrophobicContact CE1-CB 3.76Å; F15-K24 HydrophobicContact CE1-CD 3.87Å; F15-K24 HydrophobicContact CE1-CG 3.72Å; F15-K24 HydrophobicContact CZ-CD 4.24Å; F15-K24 HydrophobicContact CZ-CG 4.25Å; K24-W79 HydrophobicContact CB-CD2 4.04Å; K24-W79 HydrophobicContact CB-CE3 3.69Å; K24-W79 HydrophobicContact CB-CH2 3.66Å; K24-W79 HydrophobicContact CB-CZ2 4.05Å; K24-W79 HydrophobicContact CB-CZ3 3.48Å; K24-W79 VanDerWaalsContact CB-CZ3 3.48Å; K24-W79 HydrophobicContact CD-CD2 3.79Å; K24-W79 VanDerWaalsContact CD-CE2 3.44Å; K24-W79 HydrophobicContact CD-CE3 4.31Å; K24-W79 HydrophobicContact CD-CG 4.22Å; K24-W79 HydrophobicContact CD-CH2 4.24Å; K24-W79 HydrophobicContact CD-CZ2 3.74Å; K24-W79 HydrophobicContact CG-CZ2 4.48Å; K24-A96 HydrophobicContact CB-CB 4.43Å; K24-A96 HydrophobicContact CD-CB 4.12Å; K24-A96 HydrophobicContact CG-CB 4.3Å; K24-I97 PolarHBondContact O-N 2.75Å
25F96.1Very high87Confident0 Ų057.5 Ų57.50%032%0.317CS..EExtended strand (participates in β ladder)trans-110136.6174.4-83.7-111.4000110.1T13 R14 F16 V52 V55 L56 I97 L99T13-F25 CarbonylContact C-O 3.59Å; T13-F25 VanDerWaalsContact CA-O 3.26Å; T13-F25 WeakPolarHBondContact CA-O 3.49Å; R14-F25 PolarHBondContact N-O 3.31Å; R14-F25 PolarHBondContact O-N 2.67Å; F16-F25 HydrophobicContact CD2-CB 4.07Å; F16-F25 AromaticContact CD2-CD2 3.43Å; F16-F25 HydrophobicContact CD2-CD2 3.43Å; F16-F25 VanDerWaalsContact CD2-CD2 3.43Å; F16-F25 AromaticContact CD2-CE2 3.96Å; F16-F25 HydrophobicContact CD2-CE2 3.96Å; F16-F25 AromaticContact CD2-CG 3.81Å; F16-F25 HydrophobicContact CD2-CG 3.81Å; F16-F25 HydrophobicContact CE2-CB 3.7Å; F16-F25 HydrophobicContact CE2-CD1 4.34Å; F16-F25 AromaticContact CE2-CD2 3.86Å; F16-F25 HydrophobicContact CE2-CD2 3.86Å; F16-F25 AromaticContact CE2-CG 3.71Å; F16-F25 HydrophobicContact CE2-CG 3.71Å; F25-V52 HydrophobicContact CD1-CG1 4.45Å; F25-V52 HydrophobicContact CD1-CG2 4.19Å; F25-V52 HydrophobicContact CE1-CB 4.47Å; F25-V52 HydrophobicContact CE1-CG1 4.09Å; F25-V52 HydrophobicContact CE1-CG2 4.29Å; F25-V52 HydrophobicContact CZ-CG1 4.17Å; F25-V55 HydrophobicContact CE1-CB 4.28Å; F25-V55 HydrophobicContact CE1-CG1 3.94Å; F25-V55 HydrophobicContact CZ-CG1 4.08Å; F25-L56 HydrophobicContact CE2-CD2 3.73Å; F25-L56 HydrophobicContact CE2-CG 4.12Å; F25-L56 HydrophobicContact CZ-CD2 3.83Å; F25-L56 HydrophobicContact CZ-CG 3.83Å; F25-I97 CarbonylContact C-O 3.5Å; F25-I97 VanDerWaalsContact CA-O 3.29Å; F25-I97 WeakPolarHBondContact CA-O 3.44Å; F25-I97 HydrophobicContact CD1-CB 4.17Å; F25-I97 HydrophobicContact CD1-CG2 3.87Å; F25-I97 HydrophobicContact CD2-CB 4.28Å; F25-I97 HydrophobicContact CD2-CD1 4.17Å; F25-I97 HydrophobicContact CE1-CB 4.1Å; F25-I97 HydrophobicContact CE1-CD1 4.24Å; F25-I97 HydrophobicContact CE1-CG2 3.59Å; F25-I97 HydrophobicContact CE2-CB 4.25Å; F25-I97 HydrophobicContact CE2-CD1 3.42Å; F25-I97 VanDerWaalsContact CE2-CD1 3.42Å; F25-I97 HydrophobicContact CE2-CG1 4.42Å; F25-I97 HydrophobicContact CG-CB 4.27Å; F25-I97 HydrophobicContact CG-CG2 4.47Å; F25-I97 HydrophobicContact CZ-CB 4.15Å; F25-I97 HydrophobicContact CZ-CD1 3.46Å; F25-I97 VanDerWaalsContact CZ-CD1 3.46Å; F25-I97 HydrophobicContact CZ-CG1 4.4Å; F25-I97 HydrophobicContact CZ-CG2 3.98Å; F25-L99 HydrophobicContact CD1-CD1 3.74Å; F25-L99 HydrophobicContact CD1-CG 4.06Å; F25-L99 HydrophobicContact CE1-CD1 4.01Å; F25-L99 HydrophobicContact CE1-CG 4.38Å
26K96.2Very high85.6Confident55 Ų5560.8 Ų60.824%0.23934%0.337CS..EExtended strand (participates in β ladder)trans-116.8115.8168.4-63.8-172.9176-176.30107.9E12 T13 I97 I98 L99E12-K26 CarbonylContact O-C 3.55Å; E12-K26 WeakPolarHBondContact O-CA 3.26Å; T13-K26 HydrophobicContact CG2-CG 4.23Å; K26-I97 PolarHBondContact N-O 3.35Å; K26-I98 HydrophobicContact CB-CG1 4.34Å; K26-I98 HydrophobicContact CB-CG2 4.25Å; K26-I98 HydrophobicContact CD-CG1 4.4Å; K26-I98 CarbonylContact O-C 3.54Å; K26-I98 WeakPolarHBondContact O-CA 3.28Å; K26-L99 PolarHBondContact O-N 3.13Å
27I95.6Very high84.4Confident2 Ų263.2 Ų63.21%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-103.4128.7-178.9-60.5164.6000107.6F6 F8 P11 E12 I48 L99 L101F6-I27 HydrophobicContact CD1-CD1 3.46Å; F6-I27 VanDerWaalsContact CD1-CD1 3.46Å; F6-I27 HydrophobicContact CE1-CD1 3.36Å; F6-I27 HydrophobicContact CZ-CD1 4.49Å; F8-I27 HydrophobicContact CD2-CG2 4.35Å; P11-I27 WeakPolarHBondContact CA-O 3.33Å; E12-I27 PolarHBondContact N-O 2.96Å; E12-I27 PolarHBondContact O-N 3.38Å; I27-I48 HydrophobicContact CD1-CG2 4.04Å; I27-L99 HydrophobicContact CG1-CD1 4.25Å; I27-L101 HydrophobicContact CG2-CD1 3.83Å
28R94.1Very high83.2Confident104 Ų10459.5 Ų59.539%0.39233%0.326SS..EExtended strand (participates in β ladder)trans-134.3128.4-179.5-61.7-167.9173.4-168.7-2.6109.7P11 L99 Y100 L101P11-R28 HydrophobicContact CB-CG 4.48Å; R28-L99 PolarHBondContact N-O 2.82Å; R28-Y100 HydrophobicContact CB-CD1 4.05Å; R28-Y100 HydrophobicContact CB-CE1 4.3Å; R28-Y100 WeakPolarHBondContact O-CA 3.28Å; R28-L101 PolarHBondContact O-N 3.46Å
29G90.9Very high81.9Confident23 Ų2364.7 Ų64.724%0.23735%0.348CS..EExtended strand (participates in β ladder)trans-79143165.100000110.9L101G29-L101 CarbonylContact C-O 3.56Å
30G85.3Confident80.8Confident19 Ų1966 Ų6620%0.19635%0.349CS..  trans-70170.8167.600000111.7S32 F33 L101G30-S32 PolarHBondContact O-N 3.04Å; G30-F33 WeakPolarHBondContact O-CD2 3.21Å; G30-F33 PolarHBondContact O-N 2.74Å; G30-L101 PolarHBondContact N-O 3.4Å
31N81Confident79.9Confident175 Ų17566.4 Ų66.494%0.93634%0.343SS*.THydrogen-bonded Turntrans-67.9-8.7-178.1-70.235.1000113.7F33N31-F33 PolarHBondContact O-N 3.23Å
32S77.3Confident79Confident58 Ų5866.3 Ų66.341%0.40635%0.352SS..THydrogen-bonded Turntrans-75.7-6.1179.1600000114.2G30 K103G30-S32 PolarHBondContact O-N 3.04Å; S32-K103 WeakPolarHBondContact OG-CB 3.36Å; S32-K103 PolarHBondContact OG-N 3.24Å
33F77.3Confident78.4Confident29 Ų2970.2 Ų70.213%0.12738%0.38CS..  trans-96.4110.9178.3-65.8-81.9000109.6F8 P9 G30 N31 V38 F70 L101 K103F8-F33 AromaticContact CE1-CD1 3.76Å; F8-F33 HydrophobicContact CE1-CD1 3.76Å; F8-F33 AromaticContact CE1-CE1 3.86Å; F8-F33 HydrophobicContact CE1-CE1 3.86Å; F8-F33 HydrophobicContact CE1-CG 4.13Å; F8-F33 HydrophobicContact CE1-CZ 4.32Å; F8-F33 AromaticContact CZ-CD1 3.82Å; F8-F33 HydrophobicContact CZ-CD1 3.82Å; F8-F33 AromaticContact CZ-CD2 3.81Å; F8-F33 HydrophobicContact CZ-CD2 3.81Å; F8-F33 AromaticContact CZ-CE1 3.81Å; F8-F33 HydrophobicContact CZ-CE1 3.81Å; F8-F33 AromaticContact CZ-CE2 3.81Å; F8-F33 HydrophobicContact CZ-CE2 3.81Å; F8-F33 AromaticContact CZ-CG 3.83Å; F8-F33 HydrophobicContact CZ-CG 3.83Å; F8-F33 AromaticContact CZ-CZ 3.82Å; F8-F33 HydrophobicContact CZ-CZ 3.82Å; P9-F33 HydrophobicContact CB-CB 3.98Å; G30-F33 WeakPolarHBondContact O-CD2 3.21Å; G30-F33 PolarHBondContact O-N 2.74Å; N31-F33 PolarHBondContact O-N 3.23Å; F33-V38 HydrophobicContact CD1-CG2 4.48Å; F33-F70 HydrophobicContact CE1-CD1 4.12Å; F33-F70 AromaticContact CE1-CE1 3.59Å; F33-F70 HydrophobicContact CE1-CE1 3.59Å; F33-F70 HydrophobicContact CE2-CD1 4.49Å; F33-F70 HydrophobicContact CE2-CE1 4.48Å; F33-F70 AromaticContact CZ-CD1 3.56Å; F33-F70 HydrophobicContact CZ-CD1 3.56Å; F33-F70 AromaticContact CZ-CE1 3.47Å; F33-F70 HydrophobicContact CZ-CE1 3.47Å; F33-F70 VanDerWaalsContact CZ-CE1 3.47Å; F33-L101 VanDerWaalsContact CE2-O 3.29Å; F33-L101 WeakPolarHBondContact CE2-O 2.95Å; F33-K103 HydrophobicContact CE1-CB 3.92Å; F33-K103 HydrophobicContact CE1-CG 4.25Å; F33-K103 HydrophobicContact CE2-CB 4.18Å; F33-K103 VanDerWaalsContact CZ-CA 3.46Å; F33-K103 HydrophobicContact CZ-CB 3.68Å; F33-K103 HydrophobicContact CZ-CG 4.44Å; F33-K103 VanDerWaalsContact CZ-N 3.31Å
34S69.6Low78.1Confident47 Ų4770.2 Ų70.233%0.32938%0.381SS..  trans-84.9146.7160.663.60000109.3D36 E37S34-D36 PolarHBondContact O-N 3.08Å; S34-E37 PolarHBondContact O-N 2.99Å; S34-E37 WeakPolarHBondContact OG-CB 3.2Å; S34-E37 WeakPolarHBondContact OG-CG 3.43Å; S34-E37 PolarHBondContact OG-N 3Å
35E66.1Low77.9Confident150 Ų15070.2 Ų70.270%0.70138%0.382SS*.Hα-helixtrans-60.3-31.5178.3-166.4168-174.600111.6
36D62.6Low77.7Confident127 Ų12776.9 Ų76.968%0.67941%0.413SS*.Hα-helixtrans-70.3-35.6-179.3-60.7-39000113.6S34 L39S34-D36 PolarHBondContact O-N 3.08Å; D36-L39 PolarHBondContact O-N 2.88Å
37E65.4Low77.6Confident76 Ų7675.2 Ų75.236%0.35541%0.407SS..Hα-helixtrans-70.8-33.3179.1-76.9176.4179.500112.2S34 L39 Q40 E41 K103S34-E37 PolarHBondContact O-N 2.99Å; S34-E37 WeakPolarHBondContact OG-CB 3.2Å; S34-E37 WeakPolarHBondContact OG-CG 3.43Å; S34-E37 PolarHBondContact OG-N 3Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 3.41Å; E37-Q40 PolarHBondContact O-N 3.4Å; E37-E41 PolarHBondContact O-N 2.96Å; E37-K103 VanDerWaalsContact CD-NZ 3.29Å; E37-K103 IonicContact OE1-NZ 3.69Å; E37-K103 IonicContact OE2-NZ 2.63Å; E37-K103 PolarHBondContact OE2-NZ 3.28Å
38V64.7Low77.5Confident20 Ų2075.2 Ų75.212%0.12141%0.406CS..Hα-helixtrans-66-33.81791760000111.4P9 F33 Q40 F44P9-V38 HydrophobicContact CB-CG2 4.41Å; P9-V38 HydrophobicContact CG-CG2 4.07Å; F33-V38 HydrophobicContact CD1-CG2 4.48Å; V38-Q40 VanDerWaalsContact C-N 3.29Å; V38-Q40 PolarHBondContact O-N 2.87Å; V38-F44 HydrophobicContact CB-CE2 4.1Å; V38-F44 HydrophobicContact CG1-CD2 3.95Å; V38-F44 HydrophobicContact CG1-CE2 3.75Å; V38-F44 HydrophobicContact CG2-CE2 4Å
39L60.5Low77.5Confident144 Ų14471.3 Ų71.375%0.75439%0.393SS*.Hα-helixtrans-70.3-26.3177.3-67.6171.4000112.8D36 E37D36-L39 PolarHBondContact O-N 2.88Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 3.41Å
40Q61.5Low77.7Confident174 Ų17475.3 Ų75.381%0.81341%0.405SS*.Hα-helixtrans-83.6-29.7-175.2-162.6172.527.700113.1E37 V38E37-Q40 PolarHBondContact O-N 3.4Å; V38-Q40 VanDerWaalsContact C-N 3.29Å; V38-Q40 PolarHBondContact O-N 2.87Å
41E65.5Low78.2Confident85 Ų8574.4 Ų74.440%0.39740%0.396SS..Hα-helixtrans-97.5-5.4-172-136.7164.6-161.500114.3E37 F44 H69 R111E37-E41 PolarHBondContact O-N 2.96Å; E41-F44 HydrophobicContact CB-CE1 4.4Å; E41-F44 HydrophobicContact CB-CZ 3.99Å; E41-H69 IonicContact OE1-CD2 3.85Å; E41-H69 IonicContact OE2-CD2 3.91Å; E41-R111 IonicContact OE1-NH1 3.05Å
42G69.6Low78.9Confident40 Ų4066.2 Ų66.241%0.41235%0.352SS..  trans95.5-176.9-178.900000112.8
43S78.2Confident79.7Confident93 Ų9370 Ų7065%0.6536%0.358SS*.  trans-82129-178.684.10000111.7D45S43-D45 VanDerWaalsContact CB-OD2 3.27Å; S43-D45 WeakPolarHBondContact CB-OD2 3.37Å; S43-D45 PolarHBondContact O-N 2.77Å; S43-D45 PolarHBondContact OG-OD2 3.26Å; S43-D45 VanDerWaalsContact OG-OD2 3.05Å
44F88.6Confident80.6Confident15 Ų1570.6 Ų70.67%0.06637%0.367CS..  trans-81.97.5178.1-60.5-64.6000113.6F8 V38 E41 Q46 E47 I48 H69 F70F8-F44 HydrophobicContact CD1-CD2 4.04Å; F8-F44 HydrophobicContact CE1-CD2 4.24Å; V38-F44 HydrophobicContact CB-CE2 4.1Å; V38-F44 HydrophobicContact CG1-CD2 3.95Å; V38-F44 HydrophobicContact CG1-CE2 3.75Å; V38-F44 HydrophobicContact CG2-CE2 4Å; E41-F44 HydrophobicContact CB-CE1 4.4Å; E41-F44 HydrophobicContact CB-CZ 3.99Å; F44-Q46 VanDerWaalsContact C-N 3.3Å; F44-Q46 PolarHBondContact O-N 3.3Å; F44-E47 PolarHBondContact O-N 3.03Å; F44-I48 HydrophobicContact CB-CD1 4.03Å; F44-I48 HydrophobicContact CB-CG1 4.34Å; F44-I48 VanDerWaalsContact O-CG1 3.31Å; F44-I48 WeakPolarHBondContact O-CG1 3.31Å; F44-I48 PolarHBondContact O-N 2.85Å; F44-H69 HydrophobicContact CD1-CB 4.2Å; F44-H69 HydrophobicContact CE1-CB 3.85Å; F44-H69 AromaticContact CE1-CG 3.7Å; F44-H69 AromaticContact CE1-ND1 3.99Å; F44-F70 HydrophobicContact CB-CE2 3.86Å; F44-F70 HydrophobicContact CB-CZ 3.66Å; F44-F70 AromaticContact CD1-CE2 3.91Å; F44-F70 HydrophobicContact CD1-CE2 3.91Å; F44-F70 AromaticContact CD1-CZ 3.74Å; F44-F70 HydrophobicContact CD1-CZ 3.74Å; F44-F70 HydrophobicContact CD2-CZ 4.01Å; F44-F70 HydrophobicContact CE1-CZ 4.4Å; F44-F70 AromaticContact CG-CE2 3.99Å; F44-F70 HydrophobicContact CG-CE2 3.99Å; F44-F70 AromaticContact CG-CZ 3.53Å; F44-F70 HydrophobicContact CG-CZ 3.53Å
45D90.2Very high81.8Confident38 Ų3868.5 Ų68.520%0.20335%0.353CS..Hα-helixtrans-58.1-42.8-169.8-64.8-51.5000112.9P5 F6 S43 I48 E49P5-D45 WeakPolarHBondContact CA-OD1 3.4Å; F6-D45 HydrophobicContact CD2-CB 4.4Å; F6-D45 PolarHBondContact N-OD1 3.49Å; S43-D45 VanDerWaalsContact CB-OD2 3.27Å; S43-D45 WeakPolarHBondContact CB-OD2 3.37Å; S43-D45 PolarHBondContact O-N 2.77Å; S43-D45 PolarHBondContact OG-OD2 3.26Å; S43-D45 VanDerWaalsContact OG-OD2 3.05Å; D45-I48 PolarHBondContact O-N 2.82Å; D45-E49 WeakPolarHBondContact O-CB 3.33Å; D45-E49 PolarHBondContact O-N 3Å
46Q91.5Very high83.2Confident140 Ų14063.4 Ų63.465%0.65433%0.33SS*.Hα-helixtrans-65.3-45.7-179.5-179.5173.8-10.300111.3F44 E49 E50F44-Q46 VanDerWaalsContact C-N 3.3Å; F44-Q46 PolarHBondContact O-N 3.3Å; Q46-E49 WeakPolarHBondContact O-CB 3.44Å; Q46-E49 PolarHBondContact O-N 3.47Å; Q46-E50 PolarHBondContact NE2-OE1 2.87Å; Q46-E50 WeakPolarHBondContact O-CG 3.43Å; Q46-E50 PolarHBondContact O-N 2.82Å
47E93.7Very high84.6Confident21 Ų2160.4 Ų60.410%0.09833%0.329CS..Hα-helixtrans-65.9-41179.8-170.5174.5-166.900111.1F44 E49 E50 I51 T67 E68 H69 F70F44-E47 PolarHBondContact O-N 3.03Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E47-E49 PolarHBondContact O-N 3.08Å; E47-E50 PolarHBondContact O-N 2.82Å; E47-I51 HydrophobicContact CG-CD1 4.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.26Å; E47-I51 PolarHBondContact O-N 3.07Å; E47-T67 WeakPolarHBondContact OE1-CB 3.48Å; E47-T67 PolarHBondContact OE1-OG1 2.84Å; E47-E68 WeakPolarHBondContact OE1-CA 3.35Å; E47-E68 PolarHBondContact OE1-N 2.85Å; E47-H69 PolarHBondContact OE1-N 2.79Å; E47-H69 IonicContact OE1-ND1 3.44Å; E47-H69 WeakPolarHBondContact OE2-CB 3.22Å; E47-H69 IonicContact OE2-CE1 3.37Å; E47-H69 IonicContact OE2-CG 3.3Å; E47-H69 IonicContact OE2-ND1 3.51Å; E47-H69 PolarHBondContact OE2-ND1 3.04Å; E47-F70 HydrophobicContact CB-CE2 4.36Å; E47-F70 VanDerWaalsContact CD-CD2 3.47Å; E47-F70 HydrophobicContact CG-CD2 3.94Å; E47-F70 HydrophobicContact CG-CE2 4.12Å; E47-F70 VanDerWaalsContact OE2-CE2 3.28Å; E47-F70 WeakPolarHBondContact OE2-CE2 3.44Å
48I93.9Very high86Confident1 Ų161.6 Ų61.61%0.00534%0.338CS..Hα-helixtrans-64.6-38174.9-63.2170000110.8F6 F8 I27 F44 D45 I51 V52 F70 L101F6-I48 HydrophobicContact CB-CD1 4.27Å; F6-I48 HydrophobicContact CD1-CG2 3.8Å; F6-I48 HydrophobicContact CD2-CB 3.91Å; F6-I48 HydrophobicContact CD2-CG2 3.74Å; F6-I48 HydrophobicContact CE1-CG2 3.71Å; F6-I48 HydrophobicContact CE2-CB 3.95Å; F6-I48 HydrophobicContact CE2-CG2 3.66Å; F6-I48 HydrophobicContact CG-CB 4.34Å; F6-I48 HydrophobicContact CG-CD1 4.46Å; F6-I48 HydrophobicContact CG-CG2 3.8Å; F6-I48 HydrophobicContact CZ-CB 4.4Å; F6-I48 HydrophobicContact CZ-CG2 3.64Å; F8-I48 HydrophobicContact CB-CD1 3.61Å; F8-I48 HydrophobicContact CD1-CD1 4.27Å; F8-I48 HydrophobicContact CD2-CD1 4.19Å; F8-I48 HydrophobicContact CG-CD1 3.75Å; I27-I48 HydrophobicContact CD1-CG2 4.04Å; F44-I48 HydrophobicContact CB-CD1 4.03Å; F44-I48 HydrophobicContact CB-CG1 4.34Å; F44-I48 VanDerWaalsContact O-CG1 3.31Å; F44-I48 WeakPolarHBondContact O-CG1 3.31Å; F44-I48 PolarHBondContact O-N 2.85Å; D45-I48 PolarHBondContact O-N 2.82Å; I48-I51 WeakPolarHBondContact O-CB 3.15Å; I48-I51 PolarHBondContact O-N 2.78Å; I48-V52 WeakPolarHBondContact O-CG2 3.22Å; I48-V52 PolarHBondContact O-N 2.83Å; I48-F70 HydrophobicContact CG1-CE2 4.28Å; I48-L101 HydrophobicContact CD1-CD1 4.45Å; I48-L101 HydrophobicContact CG1-CD1 4.23Å
49E94.1Very high87.4Confident22 Ų2261.7 Ų61.710%0.10334%0.337CS..Hα-helixtrans-62.6-42.9173.7172.9166.6171.900112.1L3 F6 D45 Q46 E47 V52 R53L3-E49 HydrophobicContact CB-CG 4.49Å; L3-E49 HydrophobicContact CD1-CB 4.04Å; L3-E49 HydrophobicContact CD1-CG 3.71Å; L3-E49 HydrophobicContact CG-CG 3.95Å; L3-E49 PolarHBondContact N-OE2 2.83Å; F6-E49 HydrophobicContact CE2-CB 4.25Å; D45-E49 WeakPolarHBondContact O-CB 3.33Å; D45-E49 PolarHBondContact O-N 3Å; Q46-E49 WeakPolarHBondContact O-CB 3.44Å; Q46-E49 PolarHBondContact O-N 3.47Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E47-E49 PolarHBondContact O-N 3.08Å; E49-V52 PolarHBondContact O-N 2.81Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.42Å; E49-R53 PolarHBondContact O-N 3.33Å; E49-R53 IonicContact OE1-CZ 3.37Å; E49-R53 IonicContact OE1-NE 3.37Å; E49-R53 PolarHBondContact OE1-NE 3.41Å; E49-R53 IonicContact OE1-NH2 2.61Å; E49-R53 PolarHBondContact OE1-NH2 3.36Å
50E94.8Very high88.9Confident107 Ų10762.3 Ų62.350%0.534%0.341SS..Hα-helixtrans-63.2-41.7175-72173.7-16500111.7Q46 E47 V52 R53 A54Q46-E50 PolarHBondContact NE2-OE1 2.87Å; Q46-E50 WeakPolarHBondContact O-CG 3.43Å; Q46-E50 PolarHBondContact O-N 2.82Å; E47-E50 PolarHBondContact O-N 2.82Å; E50-V52 PolarHBondContact O-N 3.48Å; E50-R53 PolarHBondContact O-N 2.94Å; E50-A54 WeakPolarHBondContact O-CB 3.41Å; E50-A54 PolarHBondContact O-N 2.89Å
51I95.9Very high90.4Very high1 Ų161.7 Ų61.71%0.00533%0.333CS..Hα-helixtrans-58.1-48.4173.4-71.1164.7000110.9E47 I48 R53 A54 V55 F65 T67 F70 V72 L99 L101E47-I51 HydrophobicContact CG-CD1 4.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.26Å; E47-I51 PolarHBondContact O-N 3.07Å; I48-I51 WeakPolarHBondContact O-CB 3.15Å; I48-I51 PolarHBondContact O-N 2.78Å; I51-R53 VanDerWaalsContact C-N 3.31Å; I51-R53 PolarHBondContact O-N 2.79Å; I51-A54 PolarHBondContact O-N 3.24Å; I51-V55 WeakPolarHBondContact O-CG2 3.5Å; I51-V55 PolarHBondContact O-N 2.94Å; I51-F65 HydrophobicContact CG1-CE2 4.21Å; I51-F65 HydrophobicContact CG1-CZ 4.4Å; I51-F65 HydrophobicContact CG2-CZ 4.05Å; I51-T67 HydrophobicContact CD1-CG2 3.95Å; I51-T67 HydrophobicContact CG1-CG2 3.71Å; I51-F70 HydrophobicContact CD1-CB 4.34Å; I51-F70 HydrophobicContact CD1-CD2 3.91Å; I51-F70 HydrophobicContact CD1-CG 4.38Å; I51-V72 HydrophobicContact CD1-CG2 3.64Å; I51-V72 HydrophobicContact CG1-CG2 3.92Å; I51-V72 HydrophobicContact CG2-CG1 3.84Å; I51-V72 HydrophobicContact CG2-CG2 4.11Å; I51-L99 HydrophobicContact CG2-CD1 3.95Å; I51-L101 HydrophobicContact CD1-CD2 4.19Å
52V95.2Very high91.8Very high2 Ų259.6 Ų59.61%0.01232%0.324CS..Hα-helixtrans-59.9-43.7178.7168.50000110.8F6 F16 F25 I48 E49 E50 V55 L56 L99F6-V52 HydrophobicContact CZ-CG2 4.38Å; F16-V52 HydrophobicContact CD2-CG1 3.98Å; F16-V52 HydrophobicContact CE1-CG1 4.46Å; F16-V52 HydrophobicContact CE2-CG1 3.72Å; F16-V52 HydrophobicContact CE2-CG2 4.21Å; F16-V52 HydrophobicContact CG-CG1 4.43Å; F16-V52 HydrophobicContact CZ-CG1 3.98Å; F16-V52 HydrophobicContact CZ-CG2 4.28Å; F25-V52 HydrophobicContact CD1-CG1 4.45Å; F25-V52 HydrophobicContact CD1-CG2 4.19Å; F25-V52 HydrophobicContact CE1-CB 4.47Å; F25-V52 HydrophobicContact CE1-CG1 4.09Å; F25-V52 HydrophobicContact CE1-CG2 4.29Å; F25-V52 HydrophobicContact CZ-CG1 4.17Å; I48-V52 WeakPolarHBondContact O-CG2 3.22Å; I48-V52 PolarHBondContact O-N 2.83Å; E49-V52 PolarHBondContact O-N 2.81Å; E50-V52 PolarHBondContact O-N 3.48Å; V52-V55 PolarHBondContact O-N 3.25Å; V52-L56 HydrophobicContact CG1-CD1 4.1Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.43Å; V52-L99 HydrophobicContact CG2-CD1 4.15Å
53R94.4Very high93.1Very high139 Ų13962.4 Ų62.453%0.52533%0.326SS..Hα-helixtrans-63.9-44.2177.5-69.2171.9-173.7-147.116.1111.9M1 E49 E50 I51 V55 L56 G57M1-R53 PolarHBondContact O-NH2 2.88Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.42Å; E49-R53 PolarHBondContact O-N 3.33Å; E49-R53 IonicContact OE1-CZ 3.37Å; E49-R53 IonicContact OE1-NE 3.37Å; E49-R53 PolarHBondContact OE1-NE 3.41Å; E49-R53 IonicContact OE1-NH2 2.61Å; E49-R53 PolarHBondContact OE1-NH2 3.36Å; E50-R53 PolarHBondContact O-N 2.94Å; I51-R53 VanDerWaalsContact C-N 3.31Å; I51-R53 PolarHBondContact O-N 2.79Å; R53-V55 VanDerWaalsContact C-N 3.3Å; R53-V55 PolarHBondContact O-N 2.61Å; R53-L56 PolarHBondContact O-N 3.37Å; R53-G57 PolarHBondContact O-N 2.93Å
54A95.6Very high94Very high40 Ų4061.9 Ų61.933%0.33132%0.321SS..Hα-helixtrans-60.5-40.4177.900000111.9E50 I51 G57 N58 F65E50-A54 WeakPolarHBondContact O-CB 3.41Å; E50-A54 PolarHBondContact O-N 2.89Å; I51-A54 PolarHBondContact O-N 3.24Å; A54-G57 PolarHBondContact O-N 3.02Å; A54-N58 PolarHBondContact O-N 2.75Å; A54-N58 PolarHBondContact O-ND2 2.99Å; A54-F65 HydrophobicContact CB-CZ 4.35Å
55V96.2Very high94.4Very high3 Ų364.3 Ų64.32%0.01833%0.331CS..Hα-helixtrans-70.5-40.6177.7171.60000111.9F25 I51 V52 R53 G57 N58 L59 L62 F65 P74 I97 L99F25-V55 HydrophobicContact CE1-CB 4.28Å; F25-V55 HydrophobicContact CE1-CG1 3.94Å; F25-V55 HydrophobicContact CZ-CG1 4.08Å; I51-V55 WeakPolarHBondContact O-CG2 3.5Å; I51-V55 PolarHBondContact O-N 2.94Å; V52-V55 PolarHBondContact O-N 3.25Å; R53-V55 VanDerWaalsContact C-N 3.3Å; R53-V55 PolarHBondContact O-N 2.61Å; V55-G57 VanDerWaalsContact C-N 3.26Å; V55-G57 PolarHBondContact O-N 3.43Å; V55-N58 CarbonylContact O-C 3.47Å; V55-N58 PolarHBondContact O-N 3.33Å; V55-L59 PolarHBondContact O-N 3.37Å; V55-L62 HydrophobicContact CG1-CD2 3.84Å; V55-F65 HydrophobicContact CG2-CE1 4.05Å; V55-F65 HydrophobicContact CG2-CZ 4.25Å; V55-P74 HydrophobicContact CG2-CB 4.18Å; V55-I97 HydrophobicContact CG1-CG2 3.75Å; V55-L99 HydrophobicContact CG1-CD2 4.31Å; V55-L99 HydrophobicContact CG2-CD2 3.9Å
56L94.3Very high94.6Very high44 Ų4466.5 Ų66.523%0.2335%0.35CS..Hα-helixtrans-62.4-33.6173.7-76.8174.1000112.4Y23 F25 V52 R53 N58Y23-L56 HydrophobicContact CD1-CD2 3.71Å; Y23-L56 HydrophobicContact CD2-CD2 3.98Å; Y23-L56 HydrophobicContact CE1-CD2 4.01Å; Y23-L56 HydrophobicContact CE2-CD2 4.26Å; Y23-L56 HydrophobicContact CG-CD2 3.69Å; F25-L56 HydrophobicContact CE2-CD2 3.73Å; F25-L56 HydrophobicContact CE2-CG 4.12Å; F25-L56 HydrophobicContact CZ-CD2 3.83Å; F25-L56 HydrophobicContact CZ-CG 3.83Å; V52-L56 HydrophobicContact CG1-CD1 4.1Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.43Å; R53-L56 PolarHBondContact O-N 3.37Å; L56-N58 VanDerWaalsContact C-N 3.32Å
57G93.7Very high94.7Very high63 Ų6361.3 Ų61.365%0.64933%0.328SS*.Hα-helixtrans-73.5-19.9175.700000114.5R53 A54 V55R53-G57 PolarHBondContact O-N 2.93Å; A54-G57 PolarHBondContact O-N 3.02Å; V55-G57 VanDerWaalsContact C-N 3.26Å; V55-G57 PolarHBondContact O-N 3.43Å
58N94.4Very high94.5Very high101 Ų10164.7 Ų64.754%0.5434%0.343SS..THydrogen-bonded Turntrans-12739.3-172.8-64.6-68000112.3A54 V55 L56 D60 Y61 L62A54-N58 PolarHBondContact O-N 2.75Å; A54-N58 PolarHBondContact O-ND2 2.99Å; V55-N58 CarbonylContact O-C 3.47Å; V55-N58 PolarHBondContact O-N 3.33Å; L56-N58 VanDerWaalsContact C-N 3.32Å; N58-D60 VanDerWaalsContact C-N 3.27Å; N58-D60 PolarHBondContact O-N 3.26Å; N58-Y61 CarbonylContact O-C 3.55Å; N58-Y61 PolarHBondContact O-N 2.97Å; N58-L62 WeakPolarHBondContact O-CD2 3.38Å
59L93.2Very high94.4Very high22 Ų2266 Ų6612%0.11535%0.35CS..THydrogen-bonded Turntrans-56.4-42.3-175.3-71.1171.4000111.6Y23 V55 Y61 K76 Y93 I97Y23-L59 HydrophobicContact CD1-CD1 4.36Å; Y23-L59 HydrophobicContact CE1-CD1 3.6Å; V55-L59 PolarHBondContact O-N 3.37Å; L59-Y61 VanDerWaalsContact C-N 3.28Å; L59-Y61 PolarHBondContact O-N 2.81Å; L59-K76 VanDerWaalsContact C-NZ 3.34Å; L59-K76 WeakPolarHBondContact O-CE 3.4Å; L59-K76 PolarHBondContact O-NZ 3.24Å; L59-Y93 HydrophobicContact CD1-CE2 4.29Å; L59-Y93 HydrophobicContact CD2-CE1 4.36Å; L59-I97 HydrophobicContact CD2-CD1 3.42Å; L59-I97 VanDerWaalsContact CD2-CD1 3.42Å; L59-I97 HydrophobicContact CD2-CG1 4.34Å
60D92.4Very high94.3Very high157 Ų15765 Ų6584%0.8435%0.345SS*.THydrogen-bonded Turntrans-69.3-24.2-172.9-61.3-36.8000114.2N58N58-D60 VanDerWaalsContact C-N 3.27Å; N58-D60 PolarHBondContact O-N 3.26Å
61Y93.1Very high94.3Very high161 Ų16161.8 Ų61.863%0.63133%0.331SS*.SBendtrans-13477.8-176.8-167.9-115.7000111.2N58 L59 Q63N58-Y61 CarbonylContact O-C 3.55Å; N58-Y61 PolarHBondContact O-N 2.97Å; L59-Y61 VanDerWaalsContact C-N 3.28Å; L59-Y61 PolarHBondContact O-N 2.81Å; Y61-Q63 HydrophobicContact CD1-CG 3.78Å; Y61-Q63 HydrophobicContact CE1-CG 3.44Å; Y61-Q63 VanDerWaalsContact CE1-CG 3.44Å; Y61-Q63 HydrophobicContact CE2-CG 4.31Å; Y61-Q63 HydrophobicContact CG-CG 4.39Å; Y61-Q63 PolarHBondContact O-N 3.36Å; Y61-Q63 VanDerWaalsContact OH-CD 3.28Å; Y61-Q63 PolarHBondContact OH-NE2 2.87Å
62L95.5Very high94.4Very high41 Ų4161.8 Ų61.822%0.21533%0.331CS..  trans-77.7117.8175.6-63.7-174.6000110.2V55 N58 P74 K76V55-L62 HydrophobicContact CG1-CD2 3.84Å; N58-L62 WeakPolarHBondContact O-CD2 3.38Å; L62-P74 HydrophobicContact CB-CB 4.34Å; L62-P74 HydrophobicContact CB-CG 4.08Å; L62-P74 HydrophobicContact CD1-CB 4.26Å; L62-P74 HydrophobicContact CD2-CB 4.24Å; L62-P74 HydrophobicContact CD2-CG 4.44Å; L62-K76 HydrophobicContact CD1-CD 4.15Å; L62-K76 HydrophobicContact CD1-CG 3.62Å
63Q95.7Very high94.5Very high99 Ų9964 Ų6446%0.46334%0.341SS..  trans-127.8154.5171.9-62.5-156.4-58.200110.5Y61 F65 P74Y61-Q63 HydrophobicContact CD1-CG 3.78Å; Y61-Q63 HydrophobicContact CE1-CG 3.44Å; Y61-Q63 VanDerWaalsContact CE1-CG 3.44Å; Y61-Q63 HydrophobicContact CE2-CG 4.31Å; Y61-Q63 HydrophobicContact CG-CG 4.39Å; Y61-Q63 PolarHBondContact O-N 3.36Å; Y61-Q63 VanDerWaalsContact OH-CD 3.28Å; Y61-Q63 PolarHBondContact OH-NE2 2.87Å; Q63-F65 WeakPolarHBondContact O-CD1 3Å; Q63-P74 WeakPolarHBondContact O-CD 3.5Å; Q63-P74 VanDerWaalsContact O-CG 3.26Å; Q63-P74 WeakPolarHBondContact O-CG 3.42Å
64P97.3Very high94.6Very high82 Ų8257.9 Ų57.953%0.53232%0.318SS..  trans-60.4142.6169.6-2234.3000111.8V72 F73P64-V72 WeakPolarHBondContact CA-O 3.29Å; P64-F73 HydrophobicContact CB-CD1 3.69Å; P64-F73 HydrophobicContact CB-CE1 3.91Å; P64-F73 HydrophobicContact CB-CG 4.49Å; P64-F73 HydrophobicContact CG-CD1 3.67Å; P64-F73 HydrophobicContact CG-CE1 4.1Å
65F96.4Very high94.7Very high66 Ų6661.7 Ų61.729%0.28933%0.325SS..EExtended strand (participates in β ladder)trans-147.8162.1175.864.5-87.4000110.9I51 A54 V55 Q63 T67 V72 P74I51-F65 HydrophobicContact CG1-CE2 4.21Å; I51-F65 HydrophobicContact CG1-CZ 4.4Å; I51-F65 HydrophobicContact CG2-CZ 4.05Å; A54-F65 HydrophobicContact CB-CZ 4.35Å; V55-F65 HydrophobicContact CG2-CE1 4.05Å; V55-F65 HydrophobicContact CG2-CZ 4.25Å; Q63-F65 WeakPolarHBondContact O-CD1 3Å; F65-T67 HydrophobicContact CD2-CG2 4.18Å; F65-T67 HydrophobicContact CE2-CG2 3.89Å; F65-V72 HydrophobicContact CD1-CB 4.2Å; F65-V72 HydrophobicContact CD1-CG1 4.46Å; F65-V72 HydrophobicContact CD2-CB 4.34Å; F65-V72 HydrophobicContact CD2-CG2 4.28Å; F65-V72 HydrophobicContact CE1-CB 3.94Å; F65-V72 HydrophobicContact CE1-CG1 3.8Å; F65-V72 HydrophobicContact CE2-CB 4.1Å; F65-V72 HydrophobicContact CE2-CG2 3.85Å; F65-V72 HydrophobicContact CG-CB 4.4Å; F65-V72 HydrophobicContact CZ-CB 3.9Å; F65-V72 HydrophobicContact CZ-CG1 3.85Å; F65-V72 HydrophobicContact CZ-CG2 4.01Å; F65-V72 PolarHBondContact N-O 3.05Å; F65-V72 VanDerWaalsContact N-O 3.07Å; F65-V72 PolarHBondContact O-N 2.8Å; F65-P74 HydrophobicContact CE1-CG 4.46Å
66S95.4Very high94.6Very high84 Ų8465 Ų6559%0.58734%0.339SS*.EExtended strand (participates in β ladder)trans-110.8141.7-179.760.40000111.8F70S66-F70 CarbonylContact C-O 3.54Å; S66-F70 WeakPolarHBondContact CA-O 3.22Å
67T93.6Very high94.6Very high32 Ų3268.9 Ų68.920%0.19635%0.354CS..  trans-112.3-164.6168.565.90000110E47 I51 F65 F70 V72 N104E47-T67 WeakPolarHBondContact OE1-CB 3.48Å; E47-T67 PolarHBondContact OE1-OG1 2.84Å; I51-T67 HydrophobicContact CD1-CG2 3.95Å; I51-T67 HydrophobicContact CG1-CG2 3.71Å; F65-T67 HydrophobicContact CD2-CG2 4.18Å; F65-T67 HydrophobicContact CE2-CG2 3.89Å; T67-F70 PolarHBondContact N-O 3.14Å; T67-F70 WeakPolarHBondContact OG1-CB 3.4Å; T67-F70 PolarHBondContact OG1-N 2.85Å; T67-F70 VanDerWaalsContact OG1-N 3.14Å; T67-F70 PolarHBondContact OG1-O 2.86Å; T67-V72 HydrophobicContact CG2-CG2 4.32Å; T67-N104 PolarHBondContact O-ND2 3.19Å
68E90.4Very high94.5Very high91 Ų9171.2 Ų71.243%0.42535%0.352SS..SBendtrans-64.1-48.7179.2-172.9176.6175.500111E47 R111E47-E68 WeakPolarHBondContact OE1-CA 3.35Å; E47-E68 PolarHBondContact OE1-N 2.85Å; E68-R111 IonicContact OE1-CZ 3.13Å; E68-R111 IonicContact OE1-NH2 2.67Å; E68-R111 PolarHBondContact OE1-NH2 2.79Å
69H90.6Very high94Very high30 Ų3068.8 Ų68.814%0.13934%0.335CS..SBendtrans-110.5-12.4-174.7-50.497.8000113.8E41 F44 E47 N104E41-H69 IonicContact OE1-CD2 3.85Å; E41-H69 IonicContact OE2-CD2 3.91Å; F44-H69 HydrophobicContact CD1-CB 4.2Å; F44-H69 HydrophobicContact CE1-CB 3.85Å; F44-H69 AromaticContact CE1-CG 3.7Å; F44-H69 AromaticContact CE1-ND1 3.99Å; E47-H69 PolarHBondContact OE1-N 2.79Å; E47-H69 IonicContact OE1-ND1 3.44Å; E47-H69 WeakPolarHBondContact OE2-CB 3.22Å; E47-H69 IonicContact OE2-CE1 3.37Å; E47-H69 IonicContact OE2-CG 3.3Å; E47-H69 IonicContact OE2-ND1 3.51Å; E47-H69 PolarHBondContact OE2-ND1 3.04Å; H69-N104 VanDerWaalsContact C-CB 3.49Å; H69-N104 WeakPolarHBondContact O-CB 3.41Å; H69-N104 PolarHBondContact O-N 2.93Å
70F93Very high93.5Very high0 Ų069.5 Ų69.50%035%0.348CS..EExtended strand (participates in β ladder)trans-121.3148.6-174.9-54.3-74.6000114.3F8 F33 F44 E47 I48 I51 S66 T67 V72 L101 E102F8-F70 HydrophobicContact CD1-CE1 4.5Å; F8-F70 HydrophobicContact CD1-CZ 4.43Å; F8-F70 AromaticContact CE1-CE1 3.66Å; F8-F70 HydrophobicContact CE1-CE1 3.66Å; F8-F70 AromaticContact CE1-CZ 3.97Å; F8-F70 HydrophobicContact CE1-CZ 3.97Å; F8-F70 HydrophobicContact CE2-CE1 4.44Å; F8-F70 AromaticContact CZ-CE1 3.62Å; F8-F70 HydrophobicContact CZ-CE1 3.62Å; F8-F70 HydrophobicContact CZ-CZ 4.32Å; F33-F70 HydrophobicContact CE1-CD1 4.12Å; F33-F70 AromaticContact CE1-CE1 3.59Å; F33-F70 HydrophobicContact CE1-CE1 3.59Å; F33-F70 HydrophobicContact CE2-CD1 4.49Å; F33-F70 HydrophobicContact CE2-CE1 4.48Å; F33-F70 AromaticContact CZ-CD1 3.56Å; F33-F70 HydrophobicContact CZ-CD1 3.56Å; F33-F70 AromaticContact CZ-CE1 3.47Å; F33-F70 HydrophobicContact CZ-CE1 3.47Å; F33-F70 VanDerWaalsContact CZ-CE1 3.47Å; F44-F70 HydrophobicContact CB-CE2 3.86Å; F44-F70 HydrophobicContact CB-CZ 3.66Å; F44-F70 AromaticContact CD1-CE2 3.91Å; F44-F70 HydrophobicContact CD1-CE2 3.91Å; F44-F70 AromaticContact CD1-CZ 3.74Å; F44-F70 HydrophobicContact CD1-CZ 3.74Å; F44-F70 HydrophobicContact CD2-CZ 4.01Å; F44-F70 HydrophobicContact CE1-CZ 4.4Å; F44-F70 AromaticContact CG-CE2 3.99Å; F44-F70 HydrophobicContact CG-CE2 3.99Å; F44-F70 AromaticContact CG-CZ 3.53Å; F44-F70 HydrophobicContact CG-CZ 3.53Å; E47-F70 HydrophobicContact CB-CE2 4.36Å; E47-F70 VanDerWaalsContact CD-CD2 3.47Å; E47-F70 HydrophobicContact CG-CD2 3.94Å; E47-F70 HydrophobicContact CG-CE2 4.12Å; E47-F70 VanDerWaalsContact OE2-CE2 3.28Å; E47-F70 WeakPolarHBondContact OE2-CE2 3.44Å; I48-F70 HydrophobicContact CG1-CE2 4.28Å; I51-F70 HydrophobicContact CD1-CB 4.34Å; I51-F70 HydrophobicContact CD1-CD2 3.91Å; I51-F70 HydrophobicContact CD1-CG 4.38Å; S66-F70 CarbonylContact C-O 3.54Å; S66-F70 WeakPolarHBondContact CA-O 3.22Å; T67-F70 PolarHBondContact N-O 3.14Å; T67-F70 WeakPolarHBondContact OG1-CB 3.4Å; T67-F70 PolarHBondContact OG1-N 2.85Å; T67-F70 VanDerWaalsContact OG1-N 3.14Å; T67-F70 PolarHBondContact OG1-O 2.86Å; F70-V72 HydrophobicContact CB-CG2 4.15Å; F70-L101 HydrophobicContact CD1-CB 3.88Å; F70-L101 HydrophobicContact CD1-CD1 4.41Å; F70-L101 HydrophobicContact CE1-CB 4.43Å; F70-L101 HydrophobicContact CE1-CD1 4.49Å; F70-L101 HydrophobicContact CG-CB 4.48Å; F70-E102 CarbonylContact C-O 3.52Å; F70-E102 VanDerWaalsContact CA-O 3.26Å; F70-E102 WeakPolarHBondContact CA-O 3.38Å
71I94.9Very high92.4Very high40 Ų4071.9 Ų71.921%0.20535%0.351CS..EExtended strand (participates in β ladder)trans-104.2118.7154.1-53.6176.4000106F73 E102 N104I71-F73 HydrophobicContact CB-CE2 4.15Å; I71-F73 HydrophobicContact CG2-CD2 4.34Å; I71-F73 HydrophobicContact CG2-CE1 4.45Å; I71-F73 HydrophobicContact CG2-CE2 3.53Å; I71-F73 HydrophobicContact CG2-CZ 3.59Å; I71-E102 HydrophobicContact CB-CB 4.38Å; I71-E102 PolarHBondContact N-O 2.88Å; I71-E102 PolarHBondContact O-N 2.53Å; I71-N104 HydrophobicContact CG1-CB 4.18Å
72V96.8Very high91.1Very high0 Ų066.4 Ų66.40%033%0.334CS..EExtended strand (participates in β ladder)trans-101.4126.4-172.9-173.90000109.2I51 P64 F65 T67 F70 P74 L101I51-V72 HydrophobicContact CD1-CG2 3.64Å; I51-V72 HydrophobicContact CG1-CG2 3.92Å; I51-V72 HydrophobicContact CG2-CG1 3.84Å; I51-V72 HydrophobicContact CG2-CG2 4.11Å; P64-V72 WeakPolarHBondContact CA-O 3.29Å; F65-V72 HydrophobicContact CD1-CB 4.2Å; F65-V72 HydrophobicContact CD1-CG1 4.46Å; F65-V72 HydrophobicContact CD2-CB 4.34Å; F65-V72 HydrophobicContact CD2-CG2 4.28Å; F65-V72 HydrophobicContact CE1-CB 3.94Å; F65-V72 HydrophobicContact CE1-CG1 3.8Å; F65-V72 HydrophobicContact CE2-CB 4.1Å; F65-V72 HydrophobicContact CE2-CG2 3.85Å; F65-V72 HydrophobicContact CG-CB 4.4Å; F65-V72 HydrophobicContact CZ-CB 3.9Å; F65-V72 HydrophobicContact CZ-CG1 3.85Å; F65-V72 HydrophobicContact CZ-CG2 4.01Å; F65-V72 PolarHBondContact N-O 3.05Å; F65-V72 VanDerWaalsContact N-O 3.07Å; F65-V72 PolarHBondContact O-N 2.8Å; T67-V72 HydrophobicContact CG2-CG2 4.32Å; F70-V72 HydrophobicContact CB-CG2 4.15Å; V72-P74 WeakPolarHBondContact O-CD 3.5Å; V72-L101 HydrophobicContact CB-CD2 4.23Å; V72-L101 HydrophobicContact CG1-CD2 3.93Å; V72-L101 HydrophobicContact CG2-CD2 3.8Å
73F97.2Very high89.3Confident50 Ų5068.1 Ų68.122%0.21935%0.349CS..EExtended strand (participates in β ladder)trans-115.395.5172-58.9-90.7000109.5P64 I71 Y75 Y100 E102P64-F73 HydrophobicContact CB-CD1 3.69Å; P64-F73 HydrophobicContact CB-CE1 3.91Å; P64-F73 HydrophobicContact CB-CG 4.49Å; P64-F73 HydrophobicContact CG-CD1 3.67Å; P64-F73 HydrophobicContact CG-CE1 4.1Å; I71-F73 HydrophobicContact CB-CE2 4.15Å; I71-F73 HydrophobicContact CG2-CD2 4.34Å; I71-F73 HydrophobicContact CG2-CE1 4.45Å; I71-F73 HydrophobicContact CG2-CE2 3.53Å; I71-F73 HydrophobicContact CG2-CZ 3.59Å; F73-Y75 HydrophobicContact CB-CE2 3.61Å; F73-Y75 VanDerWaalsContact O-CD2 3.22Å; F73-Y75 WeakPolarHBondContact O-CD2 3.47Å; F73-Y75 VanDerWaalsContact O-CE2 3.26Å; F73-Y75 WeakPolarHBondContact O-CE2 3.44Å; F73-Y100 PolarHBondContact N-O 2.72Å; F73-Y100 PolarHBondContact O-N 3.2Å; F73-Y100 VanDerWaalsContact O-N 3.08Å; F73-E102 HydrophobicContact CD2-CG 4.33Å; F73-E102 HydrophobicContact CE2-CB 4.31Å; F73-E102 HydrophobicContact CE2-CG 3.97Å
74P97.7Very high87.8Confident9 Ų972 Ų726%0.05836%0.364CS..EExtended strand (participates in β ladder)trans-85.4135.8-179.932.6-32.4000111.9V55 L62 Q63 F65 V72 I98 L99V55-P74 HydrophobicContact CG2-CB 4.18Å; L62-P74 HydrophobicContact CB-CB 4.34Å; L62-P74 HydrophobicContact CB-CG 4.08Å; L62-P74 HydrophobicContact CD1-CB 4.26Å; L62-P74 HydrophobicContact CD2-CB 4.24Å; L62-P74 HydrophobicContact CD2-CG 4.44Å; Q63-P74 WeakPolarHBondContact O-CD 3.5Å; Q63-P74 VanDerWaalsContact O-CG 3.26Å; Q63-P74 WeakPolarHBondContact O-CG 3.42Å; F65-P74 HydrophobicContact CE1-CG 4.46Å; V72-P74 WeakPolarHBondContact O-CD 3.5Å; P74-I98 CarbonylContact C-O 3.5Å; P74-I98 WeakPolarHBondContact CA-O 3.32Å; P74-L99 HydrophobicContact CB-CD2 3.83Å
75Y96.2Very high85.9Confident120 Ų12070.6 Ų70.647%0.47135%0.35SS..EExtended strand (participates in β ladder)trans-131.8150177.9-59.1-90000111.7F73 I97 I98 Y100F73-Y75 HydrophobicContact CB-CE2 3.61Å; F73-Y75 VanDerWaalsContact O-CD2 3.22Å; F73-Y75 WeakPolarHBondContact O-CD2 3.47Å; F73-Y75 VanDerWaalsContact O-CE2 3.26Å; F73-Y75 WeakPolarHBondContact O-CE2 3.44Å; Y75-I97 CarbonylContact O-C 3.47Å; Y75-I97 WeakPolarHBondContact O-CA 3.36Å; Y75-I98 PolarHBondContact N-O 3.28Å; Y75-I98 PolarHBondContact O-N 3.45Å; Y75-Y100 AromaticContact CD2-CD2 3.55Å; Y75-Y100 HydrophobicContact CD2-CD2 3.55Å; Y75-Y100 AromaticContact CD2-CE2 3.89Å; Y75-Y100 HydrophobicContact CD2-CE2 3.89Å; Y75-Y100 AromaticContact CE2-CD2 3.54Å; Y75-Y100 HydrophobicContact CE2-CD2 3.54Å; Y75-Y100 HydrophobicContact CE2-CE2 4.09Å; Y75-Y100 HydrophobicContact CE2-CG 4.43Å
76K95.3Very high84.1Confident72 Ų7275.5 Ų75.531%0.31338%0.379SS..EExtended strand (participates in β ladder)trans-103.3130.3166.3-77.2173.2-172.6-172.50109.9L59 L62 Y93 F95L59-K76 VanDerWaalsContact C-NZ 3.34Å; L59-K76 WeakPolarHBondContact O-CE 3.4Å; L59-K76 PolarHBondContact O-NZ 3.24Å; L62-K76 HydrophobicContact CD1-CD 4.15Å; L62-K76 HydrophobicContact CD1-CG 3.62Å; K76-Y93 WeakPolarHBondContact CE-OH 3.26Å; K76-Y93 PolarHBondContact NZ-OH 2.91Å; K76-F95 HydrophobicContact CB-CB 4.15Å; K76-F95 HydrophobicContact CB-CD1 4.27Å; K76-F95 HydrophobicContact CB-CG 4.3Å; K76-F95 HydrophobicContact CD-CB 4.48Å; K76-F95 HydrophobicContact CD-CD2 4.46Å; K76-F95 HydrophobicContact CD-CG 4.34Å; K76-F95 HydrophobicContact CG-CB 4.16Å; K76-F95 HydrophobicContact CG-CG 4.46Å
77K94.2Very high82.5Confident127 Ų12775.3 Ų75.355%0.55238%0.383SS*.EExtended strand (participates in β ladder)trans-120.2137.1167.4-175.3174.3179.2175.50108.5W79 F95 A96 I98K77-W79 PolarHBondContact O-N 3.5Å; K77-F95 CarbonylContact O-C 3.54Å; K77-F95 VanDerWaalsContact O-CA 3.31Å; K77-F95 WeakPolarHBondContact O-CA 3.43Å; K77-A96 PolarHBondContact N-O 3.26Å; K77-A96 PolarHBondContact O-N 3.44Å; K77-I98 HydrophobicContact CB-CD1 3.9Å; K77-I98 HydrophobicContact CD-CD1 4.25Å
78N92.1Very high81Confident112 Ų11278 Ų7860%0.59939%0.392SS*.EExtended strand (participates in β ladder)trans-55.8128.4174.2-168.9-12.1000109.5G80 P94 F95N78-G80 PolarHBondContact O-N 2.93Å; N78-G80 PolarHBondContact OD1-N 3.27Å; N78-P94 PolarHBondContact OD1-O 2.67Å; N78-F95 HydrophobicContact CB-CD1 4.5Å
79W84.4Confident80.1Confident49 Ų4983.6 Ų83.619%0.18642%0.415CS..  trans-830.4179.1-168.2-1.5000111.6F15 K24 K77 V82 F92 Y93 P94 A96F15-W79 AromaticContact CD1-CH2 3.86Å; F15-W79 HydrophobicContact CD1-CH2 3.86Å; F15-W79 HydrophobicContact CD1-CZ2 4.35Å; F15-W79 AromaticContact CE1-CH2 3.5Å; F15-W79 HydrophobicContact CE1-CH2 3.5Å; F15-W79 VanDerWaalsContact CE1-CH2 3.5Å; F15-W79 AromaticContact CE1-CZ2 3.53Å; F15-W79 HydrophobicContact CE1-CZ2 3.53Å; F15-W79 HydrophobicContact CZ-CZ2 4.41Å; K24-W79 HydrophobicContact CB-CD2 4.04Å; K24-W79 HydrophobicContact CB-CE3 3.69Å; K24-W79 HydrophobicContact CB-CH2 3.66Å; K24-W79 HydrophobicContact CB-CZ2 4.05Å; K24-W79 HydrophobicContact CB-CZ3 3.48Å; K24-W79 VanDerWaalsContact CB-CZ3 3.48Å; K24-W79 HydrophobicContact CD-CD2 3.79Å; K24-W79 VanDerWaalsContact CD-CE2 3.44Å; K24-W79 HydrophobicContact CD-CE3 4.31Å; K24-W79 HydrophobicContact CD-CG 4.22Å; K24-W79 HydrophobicContact CD-CH2 4.24Å; K24-W79 HydrophobicContact CD-CZ2 3.74Å; K24-W79 HydrophobicContact CG-CZ2 4.48Å; K77-W79 PolarHBondContact O-N 3.5Å; W79-V82 HydrophobicContact CB-CG2 4.01Å; W79-V82 HydrophobicContact CD2-CG1 4.28Å; W79-V82 HydrophobicContact CD2-CG2 3.88Å; W79-V82 HydrophobicContact CE3-CG2 4.23Å; W79-V82 HydrophobicContact CG-CG2 3.86Å; W79-V82 HydrophobicContact CH2-CG1 4.23Å; W79-V82 HydrophobicContact CZ2-CG1 3.94Å; W79-V82 HydrophobicContact CZ3-CG1 4.49Å; W79-F92 HydrophobicContact CH2-CB 4.41Å; W79-F92 AromaticContact CH2-CD1 3.16Å; W79-F92 HydrophobicContact CH2-CD1 3.16Å; W79-F92 AromaticContact CH2-CE1 3.63Å; W79-F92 HydrophobicContact CH2-CE1 3.63Å; W79-F92 HydrophobicContact CH2-CG 4.13Å; W79-F92 AromaticContact CZ2-CD1 3.97Å; W79-F92 HydrophobicContact CZ2-CD1 3.97Å; W79-F92 HydrophobicContact CZ2-CE1 4.19Å; W79-F92 HydrophobicContact CZ3-CB 4.06Å; W79-F92 AromaticContact CZ3-CD1 3.59Å; W79-F92 HydrophobicContact CZ3-CD1 3.59Å; W79-F92 HydrophobicContact CZ3-CE1 4.46Å; W79-F92 HydrophobicContact CZ3-CG 4.27Å; W79-Y93 VanDerWaalsContact CE3-O 3.26Å; W79-P94 WeakPolarHBondContact CB-O 3.35Å; W79-P94 PolarHBondContact N-O 3.19Å; W79-A96 HydrophobicContact CB-CB 4.32Å; W79-A96 HydrophobicContact CG-CB 4.43Å
80G81.1Confident79.5Confident37 Ų3784.3 Ų84.338%0.38142%0.419SS..  trans71.1-150177.200000111.6N78 V82N78-G80 PolarHBondContact O-N 2.93Å; N78-G80 PolarHBondContact OD1-N 3.27Å; G80-V82 WeakPolarHBondContact O-CG2 3.5Å; G80-V82 PolarHBondContact O-N 2.67Å; G80-V82 VanDerWaalsContact O-N 3.08Å
81K69.7Low79.2Confident208 Ų20886.9 Ų86.990%0.90444%0.437SS*.  trans-73.7103-178.3-66.4-178.3-176.8176.30109.8
82V65.6Low78.9Confident46 Ų4687.1 Ų87.128%0.27944%0.437SS..  trans-97.5114.2174.1-148.20000109.5W79 G80 F92W79-V82 HydrophobicContact CB-CG2 4.01Å; W79-V82 HydrophobicContact CD2-CG1 4.28Å; W79-V82 HydrophobicContact CD2-CG2 3.88Å; W79-V82 HydrophobicContact CE3-CG2 4.23Å; W79-V82 HydrophobicContact CG-CG2 3.86Å; W79-V82 HydrophobicContact CH2-CG1 4.23Å; W79-V82 HydrophobicContact CZ2-CG1 3.94Å; W79-V82 HydrophobicContact CZ3-CG1 4.49Å; G80-V82 WeakPolarHBondContact O-CG2 3.5Å; G80-V82 PolarHBondContact O-N 2.67Å; G80-V82 VanDerWaalsContact O-N 3.08Å; V82-F92 HydrophobicContact CB-CB 3.77Å; V82-F92 HydrophobicContact CB-CD2 4.26Å; V82-F92 HydrophobicContact CB-CG 4.09Å; V82-F92 HydrophobicContact CG1-CB 3.35Å; V82-F92 HydrophobicContact CG1-CD1 3.68Å; V82-F92 HydrophobicContact CG1-CD2 3.44Å; V82-F92 VanDerWaalsContact CG1-CD2 3.44Å; V82-F92 HydrophobicContact CG1-CE1 4.26Å; V82-F92 HydrophobicContact CG1-CE2 4.1Å; V82-F92 HydrophobicContact CG1-CG 3.18Å; V82-F92 HydrophobicContact CG1-CZ 4.44Å; V82-F92 HydrophobicContact CG2-CB 4.27Å
83C57.6Low78.7Confident77 Ų7788.5 Ų88.552%0.5244%0.443SS..PPolyproline II helixtrans-69.8135177.4-64.20000109.6F92C83-F92 WeakPolarHBondContact O-CD2 3.38Å; C83-F92 WeakPolarHBondContact O-CE2 3.31Å
84K64Low78.4Confident179 Ų17989.6 Ų89.678%0.77845%0.454SS*.PPolyproline II helixtrans-68.4145.3175.1-63.6177.3-178.4175.70109.5
85H59Low78.2Confident54 Ų5492.8 Ų92.825%0.2547%0.468CS..PPolyproline II helixtrans-88.7121.3172.9-172.4-103.4000109.1A87 W232H85-A87 VanDerWaalsContact CE1-CB 3.44Å; H85-A87 WeakPolarHBondContact CE1-CB 3.26Å; H85-A87 PolarHBondContact O-N 3.46Å; H85-W232 AromaticContact CD2-CH2 3.93Å; H85-W232 AromaticContact CD2-CZ3 3.43Å; H85-W232 VanDerWaalsContact CD2-CZ3 3.43Å; H85-W232 WeakPolarHBondContact CD2-CZ3 3.41Å; H85-W232 AromaticContact NE2-CH2 3.82Å; H85-W232 AromaticContact NE2-CZ3 3.53Å
86D57.6Low78.1Confident168 Ų16887.3 Ų87.390%0.89845%0.447SS*.THydrogen-bonded Turntrans-75.8-20.5-174.6-83.4-30.1000113.9
87A61.3Low78.2Confident80 Ų8083.9 Ų83.966%0.66143%0.432SS*.THydrogen-bonded Turntrans-84.7-18.3-170.900000114.7H85H85-A87 VanDerWaalsContact CE1-CB 3.44Å; H85-A87 WeakPolarHBondContact CE1-CB 3.26Å; H85-A87 PolarHBondContact O-N 3.46Å
88K63.1Low78.3Confident90 Ų9078.7 Ų78.739%0.39141%0.41SS..SBendtrans-144.8139.9177.4-69.1172.9-175.81490106.1L90 E230K88-L90 HydrophobicContact CB-CD1 4.19Å; K88-L90 HydrophobicContact CB-CG 4.03Å; K88-L90 PolarHBondContact O-N 3.16Å; K88-E230 IonicContact NZ-OE1 2.82Å; K88-E230 PolarHBondContact NZ-OE1 2.93Å; K88-E230 IonicContact NZ-OE2 2.85Å; K88-E230 PolarHBondContact NZ-OE2 3.19Å
89K71.8Confident78.6Confident207 Ų20773.4 Ų73.490%0.938%0.382SS*.  trans-66.539.3-179.3-161.1-174.7179-177.90113
90L77.8Confident79.2Confident45 Ų4575.2 Ų75.224%0.23639%0.39CS..PPolyproline II helixtrans-88.8119.1178.2-62.5178.2000108.1S20 I22 K88S20-L90 VanDerWaalsContact O-CA 3.26Å; S20-L90 WeakPolarHBondContact O-CA 3.29Å; I22-L90 HydrophobicContact CD1-CB 3.94Å; I22-L90 HydrophobicContact CD1-CD1 4.22Å; I22-L90 HydrophobicContact CG1-CB 4.23Å; I22-L90 HydrophobicContact CG1-CD1 4.39Å; K88-L90 HydrophobicContact CB-CD1 4.19Å; K88-L90 HydrophobicContact CB-CG 4.03Å; K88-L90 PolarHBondContact O-N 3.16Å
91S85.1Confident79.8Confident55 Ų5573.5 Ų73.539%0.38537%0.371SS..EExtended strand (participates in β ladder)trans-91.3160.3169.241.80000109.7S20 L21 I22S20-S91 PolarHBondContact O-N 3.37Å; L21-S91 CarbonylContact C-O 3.49Å; L21-S91 VanDerWaalsContact CA-O 3.29Å; L21-S91 WeakPolarHBondContact CA-O 3.45Å; L21-S91 WeakPolarHBondContact CD2-OG 3.32Å; I22-S91 PolarHBondContact N-O 3.44Å
92F89.9Confident80.9Confident45 Ų4568.1 Ų68.120%0.19735%0.35CS..EExtended strand (participates in β ladder)trans-94.7140.6172.4-70.8-84.5000110I22 W79 V82 C83I22-F92 HydrophobicContact CB-CD1 3.62Å; I22-F92 HydrophobicContact CB-CE1 3.84Å; I22-F92 HydrophobicContact CB-CG 4.44Å; I22-F92 HydrophobicContact CD1-CD1 4.12Å; I22-F92 HydrophobicContact CD1-CE1 3.65Å; I22-F92 HydrophobicContact CD1-CE2 4.36Å; I22-F92 HydrophobicContact CD1-CZ 3.79Å; I22-F92 HydrophobicContact CG1-CD1 4.46Å; I22-F92 HydrophobicContact CG1-CE1 4.36Å; I22-F92 HydrophobicContact CG2-CD1 3.75Å; I22-F92 HydrophobicContact CG2-CE1 3.68Å; W79-F92 HydrophobicContact CH2-CB 4.41Å; W79-F92 AromaticContact CH2-CD1 3.16Å; W79-F92 HydrophobicContact CH2-CD1 3.16Å; W79-F92 AromaticContact CH2-CE1 3.63Å; W79-F92 HydrophobicContact CH2-CE1 3.63Å; W79-F92 HydrophobicContact CH2-CG 4.13Å; W79-F92 AromaticContact CZ2-CD1 3.97Å; W79-F92 HydrophobicContact CZ2-CD1 3.97Å; W79-F92 HydrophobicContact CZ2-CE1 4.19Å; W79-F92 HydrophobicContact CZ3-CB 4.06Å; W79-F92 AromaticContact CZ3-CD1 3.59Å; W79-F92 HydrophobicContact CZ3-CD1 3.59Å; W79-F92 HydrophobicContact CZ3-CE1 4.46Å; W79-F92 HydrophobicContact CZ3-CG 4.27Å; V82-F92 HydrophobicContact CB-CB 3.77Å; V82-F92 HydrophobicContact CB-CD2 4.26Å; V82-F92 HydrophobicContact CB-CG 4.09Å; V82-F92 HydrophobicContact CG1-CB 3.35Å; V82-F92 HydrophobicContact CG1-CD1 3.68Å; V82-F92 HydrophobicContact CG1-CD2 3.44Å; V82-F92 VanDerWaalsContact CG1-CD2 3.44Å; V82-F92 HydrophobicContact CG1-CE1 4.26Å; V82-F92 HydrophobicContact CG1-CE2 4.1Å; V82-F92 HydrophobicContact CG1-CG 3.18Å; V82-F92 HydrophobicContact CG1-CZ 4.44Å; V82-F92 HydrophobicContact CG2-CB 4.27Å; C83-F92 WeakPolarHBondContact O-CD2 3.38Å; C83-F92 WeakPolarHBondContact O-CE2 3.31Å
93Y91.6Very high82.1Confident29 Ų2968.7 Ų68.711%0.11435%0.348CS..EExtended strand (participates in β ladder)trans-64.1132.3169.4-172.2-119.6000108.9I22 Y23 L59 K76 W79 F95 I97I22-Y93 PolarHBondContact O-N 3.15Å; Y23-Y93 AromaticContact CD1-CD1 3.87Å; Y23-Y93 HydrophobicContact CD1-CD1 3.87Å; Y23-Y93 HydrophobicContact CD1-CD2 4.26Å; Y23-Y93 AromaticContact CD1-CG 3.66Å; Y23-Y93 HydrophobicContact CD1-CG 3.66Å; Y23-Y93 HydrophobicContact CE1-CD1 4.2Å; Y23-Y93 AromaticContact CE1-CD2 3.81Å; Y23-Y93 HydrophobicContact CE1-CD2 3.81Å; Y23-Y93 HydrophobicContact CE1-CE2 4.43Å; Y23-Y93 AromaticContact CE1-CG 3.7Å; Y23-Y93 HydrophobicContact CE1-CG 3.7Å; L59-Y93 HydrophobicContact CD1-CE2 4.29Å; L59-Y93 HydrophobicContact CD2-CE1 4.36Å; K76-Y93 WeakPolarHBondContact CE-OH 3.26Å; K76-Y93 PolarHBondContact NZ-OH 2.91Å; W79-Y93 VanDerWaalsContact CE3-O 3.26Å; Y93-F95 HydrophobicContact CD1-CB 4.09Å; Y93-F95 WeakPolarHBondContact CD1-O 3.24Å; Y93-F95 HydrophobicContact CE1-CB 3.75Å; Y93-F95 AromaticContact CE1-CD2 3.94Å; Y93-F95 HydrophobicContact CE1-CD2 3.94Å; Y93-F95 HydrophobicContact CE1-CG 4.34Å; Y93-F95 AromaticContact CZ-CD2 3.95Å; Y93-F95 PolarHBondContact O-N 3.49Å; Y93-I97 HydrophobicContact CD1-CD1 4.46Å; Y93-I97 HydrophobicContact CE1-CD1 4.4Å
94P91.6Very high83.6Confident72 Ų7265.8 Ų65.847%0.46833%0.328SS..EExtended strand (participates in β ladder)trans-62.6-18.5-172.6-25.234.6000114.9N78 W79N78-P94 PolarHBondContact OD1-O 2.67Å; W79-P94 WeakPolarHBondContact CB-O 3.35Å; W79-P94 PolarHBondContact N-O 3.19Å
95F93.7Very high84.3Confident77 Ų7761.5 Ų61.534%0.33832%0.317SS..EExtended strand (participates in β ladder)trans-114.2143.8-177.5-55.1-85.8000111.3K76 K77 N78 Y93K76-F95 HydrophobicContact CB-CB 4.15Å; K76-F95 HydrophobicContact CB-CD1 4.27Å; K76-F95 HydrophobicContact CB-CG 4.3Å; K76-F95 HydrophobicContact CD-CB 4.48Å; K76-F95 HydrophobicContact CD-CD2 4.46Å; K76-F95 HydrophobicContact CD-CG 4.34Å; K76-F95 HydrophobicContact CG-CB 4.16Å; K76-F95 HydrophobicContact CG-CG 4.46Å; K77-F95 CarbonylContact O-C 3.54Å; K77-F95 VanDerWaalsContact O-CA 3.31Å; K77-F95 WeakPolarHBondContact O-CA 3.43Å; N78-F95 HydrophobicContact CB-CD1 4.5Å; Y93-F95 HydrophobicContact CD1-CB 4.09Å; Y93-F95 WeakPolarHBondContact CD1-O 3.24Å; Y93-F95 HydrophobicContact CE1-CB 3.75Å; Y93-F95 AromaticContact CE1-CD2 3.94Å; Y93-F95 HydrophobicContact CE1-CD2 3.94Å; Y93-F95 HydrophobicContact CE1-CG 4.34Å; Y93-F95 AromaticContact CZ-CD2 3.95Å; Y93-F95 PolarHBondContact O-N 3.49Å
96A94.7Very high84.5Confident5 Ų566.7 Ų66.74%0.04134%0.339CS..EExtended strand (participates in β ladder)trans-83.9131.2160.400000108.2K24 K77 W79K24-A96 HydrophobicContact CB-CB 4.43Å; K24-A96 HydrophobicContact CD-CB 4.12Å; K24-A96 HydrophobicContact CG-CB 4.3Å; K77-A96 PolarHBondContact N-O 3.26Å; K77-A96 PolarHBondContact O-N 3.44Å; W79-A96 HydrophobicContact CB-CB 4.32Å; W79-A96 HydrophobicContact CG-CB 4.43Å
97I96.8Very high84.5Confident0 Ų066.3 Ų66.30%033%0.325CS..EExtended strand (participates in β ladder)trans-92129175.8-63158.2000107.4Y23 K24 F25 K26 V55 L59 Y75 Y93 L99Y23-I97 HydrophobicContact CD1-CD1 4.4Å; K24-I97 PolarHBondContact O-N 2.75Å; F25-I97 CarbonylContact C-O 3.5Å; F25-I97 VanDerWaalsContact CA-O 3.29Å; F25-I97 WeakPolarHBondContact CA-O 3.44Å; F25-I97 HydrophobicContact CD1-CB 4.17Å; F25-I97 HydrophobicContact CD1-CG2 3.87Å; F25-I97 HydrophobicContact CD2-CB 4.28Å; F25-I97 HydrophobicContact CD2-CD1 4.17Å; F25-I97 HydrophobicContact CE1-CB 4.1Å; F25-I97 HydrophobicContact CE1-CD1 4.24Å; F25-I97 HydrophobicContact CE1-CG2 3.59Å; F25-I97 HydrophobicContact CE2-CB 4.25Å; F25-I97 HydrophobicContact CE2-CD1 3.42Å; F25-I97 VanDerWaalsContact CE2-CD1 3.42Å; F25-I97 HydrophobicContact CE2-CG1 4.42Å; F25-I97 HydrophobicContact CG-CB 4.27Å; F25-I97 HydrophobicContact CG-CG2 4.47Å; F25-I97 HydrophobicContact CZ-CB 4.15Å; F25-I97 HydrophobicContact CZ-CD1 3.46Å; F25-I97 VanDerWaalsContact CZ-CD1 3.46Å; F25-I97 HydrophobicContact CZ-CG1 4.4Å; F25-I97 HydrophobicContact CZ-CG2 3.98Å; K26-I97 PolarHBondContact N-O 3.35Å; V55-I97 HydrophobicContact CG1-CG2 3.75Å; L59-I97 HydrophobicContact CD2-CD1 3.42Å; L59-I97 VanDerWaalsContact CD2-CD1 3.42Å; L59-I97 HydrophobicContact CD2-CG1 4.34Å; Y75-I97 CarbonylContact O-C 3.47Å; Y75-I97 WeakPolarHBondContact O-CA 3.36Å; Y93-I97 HydrophobicContact CD1-CD1 4.46Å; Y93-I97 HydrophobicContact CE1-CD1 4.4Å; I97-L99 HydrophobicContact CG2-CD2 3.97Å; I97-L99 HydrophobicContact CG2-CG 4.44Å
98I96.9Very high84.1Confident18 Ų1864.2 Ų64.29%0.09231%0.311CS..EExtended strand (participates in β ladder)trans-116.6121.4179.5-49.4177.2000107.2K26 P74 Y75 K77 Y100K26-I98 HydrophobicContact CB-CG1 4.34Å; K26-I98 HydrophobicContact CB-CG2 4.25Å; K26-I98 HydrophobicContact CD-CG1 4.4Å; K26-I98 CarbonylContact O-C 3.54Å; K26-I98 WeakPolarHBondContact O-CA 3.28Å; P74-I98 CarbonylContact C-O 3.5Å; P74-I98 WeakPolarHBondContact CA-O 3.32Å; Y75-I98 PolarHBondContact N-O 3.28Å; Y75-I98 PolarHBondContact O-N 3.45Å; K77-I98 HydrophobicContact CB-CD1 3.9Å; K77-I98 HydrophobicContact CD-CD1 4.25Å; I98-Y100 HydrophobicContact CB-CE2 4.32Å; I98-Y100 HydrophobicContact CG2-CD2 3.9Å; I98-Y100 HydrophobicContact CG2-CE2 3.39Å
99L97.2Very high83.4Confident1 Ų163.4 Ų63.41%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-105.7113.8176.5-56.7-177.2000108.1F25 K26 I27 R28 I51 V52 V55 P74 I97F25-L99 HydrophobicContact CD1-CD1 3.74Å; F25-L99 HydrophobicContact CD1-CG 4.06Å; F25-L99 HydrophobicContact CE1-CD1 4.01Å; F25-L99 HydrophobicContact CE1-CG 4.38Å; K26-L99 PolarHBondContact O-N 3.13Å; I27-L99 HydrophobicContact CG1-CD1 4.25Å; R28-L99 PolarHBondContact N-O 2.82Å; I51-L99 HydrophobicContact CG2-CD1 3.95Å; V52-L99 HydrophobicContact CG2-CD1 4.15Å; V55-L99 HydrophobicContact CG1-CD2 4.31Å; V55-L99 HydrophobicContact CG2-CD2 3.9Å; P74-L99 HydrophobicContact CB-CD2 3.83Å; I97-L99 HydrophobicContact CG2-CD2 3.97Å; I97-L99 HydrophobicContact CG2-CG 4.44Å
100Y96.6Very high82.3Confident87 Ų8759.3 Ų59.334%0.34130%0.298SS..EExtended strand (participates in β ladder)trans-95.9121.6165.1-68.5-92.6000108.1R28 F73 Y75 I98R28-Y100 HydrophobicContact CB-CD1 4.05Å; R28-Y100 HydrophobicContact CB-CE1 4.3Å; R28-Y100 WeakPolarHBondContact O-CA 3.28Å; F73-Y100 PolarHBondContact N-O 2.72Å; F73-Y100 PolarHBondContact O-N 3.2Å; F73-Y100 VanDerWaalsContact O-N 3.08Å; Y75-Y100 AromaticContact CD2-CD2 3.55Å; Y75-Y100 HydrophobicContact CD2-CD2 3.55Å; Y75-Y100 AromaticContact CD2-CE2 3.89Å; Y75-Y100 HydrophobicContact CD2-CE2 3.89Å; Y75-Y100 AromaticContact CE2-CD2 3.54Å; Y75-Y100 HydrophobicContact CE2-CD2 3.54Å; Y75-Y100 HydrophobicContact CE2-CE2 4.09Å; Y75-Y100 HydrophobicContact CE2-CG 4.43Å; I98-Y100 HydrophobicContact CB-CE2 4.32Å; I98-Y100 HydrophobicContact CG2-CD2 3.9Å; I98-Y100 HydrophobicContact CG2-CE2 3.39Å
101L94.9Very high80.9Confident0 Ų063.3 Ų63.30%031%0.31CS..EExtended strand (participates in β ladder)trans-107.1121.7179.8-55.4180000107.6F8 I27 R28 G29 G30 F33 I48 I51 F70 V72F8-L101 HydrophobicContact CD2-CD1 4.04Å; F8-L101 HydrophobicContact CE2-CB 4.13Å; F8-L101 HydrophobicContact CE2-CD1 3.76Å; F8-L101 HydrophobicContact CE2-CG 4.49Å; F8-L101 HydrophobicContact CZ-CB 4.48Å; F8-L101 HydrophobicContact CZ-CD1 4.48Å; I27-L101 HydrophobicContact CG2-CD1 3.83Å; R28-L101 PolarHBondContact O-N 3.46Å; G29-L101 CarbonylContact C-O 3.56Å; G30-L101 PolarHBondContact N-O 3.4Å; F33-L101 VanDerWaalsContact CE2-O 3.29Å; F33-L101 WeakPolarHBondContact CE2-O 2.95Å; I48-L101 HydrophobicContact CD1-CD1 4.45Å; I48-L101 HydrophobicContact CG1-CD1 4.23Å; I51-L101 HydrophobicContact CD1-CD2 4.19Å; F70-L101 HydrophobicContact CD1-CB 3.88Å; F70-L101 HydrophobicContact CD1-CD1 4.41Å; F70-L101 HydrophobicContact CE1-CB 4.43Å; F70-L101 HydrophobicContact CE1-CD1 4.49Å; F70-L101 HydrophobicContact CG-CB 4.48Å; V72-L101 HydrophobicContact CB-CD2 4.23Å; V72-L101 HydrophobicContact CG1-CD2 3.93Å; V72-L101 HydrophobicContact CG2-CD2 3.8Å
102E92.9Very high79.3Confident96 Ų9667.4 Ų67.445%0.44932%0.323SS..EExtended strand (participates in β ladder)trans-107.8152.4170-66.5-166166.400110.1F70 I71 F73 N104F70-E102 CarbonylContact C-O 3.52Å; F70-E102 VanDerWaalsContact CA-O 3.26Å; F70-E102 WeakPolarHBondContact CA-O 3.38Å; I71-E102 HydrophobicContact CB-CB 4.38Å; I71-E102 PolarHBondContact N-O 2.88Å; I71-E102 PolarHBondContact O-N 2.53Å; F73-E102 HydrophobicContact CD2-CG 4.33Å; F73-E102 HydrophobicContact CE2-CB 4.31Å; F73-E102 HydrophobicContact CE2-CG 3.97Å; E102-N104 PolarHBondContact O-N 3.27Å
103K90.5Very high77.2Confident57 Ų5770.9 Ų70.925%0.24834%0.338CS..EExtended strand (participates in β ladder)trans-70.9129.3-179.9-172.6178-177.31780110.1S32 F33 E37 T105S32-K103 WeakPolarHBondContact OG-CB 3.36Å; S32-K103 PolarHBondContact OG-N 3.24Å; F33-K103 HydrophobicContact CE1-CB 3.92Å; F33-K103 HydrophobicContact CE1-CG 4.25Å; F33-K103 HydrophobicContact CE2-CB 4.18Å; F33-K103 VanDerWaalsContact CZ-CA 3.46Å; F33-K103 HydrophobicContact CZ-CB 3.68Å; F33-K103 HydrophobicContact CZ-CG 4.44Å; F33-K103 VanDerWaalsContact CZ-N 3.31Å; E37-K103 VanDerWaalsContact CD-NZ 3.29Å; E37-K103 IonicContact OE1-NZ 3.69Å; E37-K103 IonicContact OE2-NZ 2.63Å; E37-K103 PolarHBondContact OE2-NZ 3.28Å; K103-T105 PolarHBondContact O-N 3.43Å; K103-T105 VanDerWaalsContact O-N 3.13Å
104N89.1Confident75.1Confident17 Ų1772.8 Ų72.89%0.09135%0.352CS..  trans-80.790.9175.4-168.6-6.7000110.5T67 H69 I71 E102 F106T67-N104 PolarHBondContact O-ND2 3.19Å; H69-N104 VanDerWaalsContact C-CB 3.49Å; H69-N104 WeakPolarHBondContact O-CB 3.41Å; H69-N104 PolarHBondContact O-N 2.93Å; I71-N104 HydrophobicContact CG1-CB 4.18Å; E102-N104 PolarHBondContact O-N 3.27Å; N104-F106 VanDerWaalsContact C-N 3.25Å; N104-F106 PolarHBondContact O-N 3.27Å; N104-F106 PolarHBondContact OD1-N 3.2Å
105T78.4Confident73.3Confident89 Ų8976.1 Ų76.155%0.54636%0.36SS..Hα-helixtrans-73.8-13-178.4540000113.9K103 R107K103-T105 PolarHBondContact O-N 3.43Å; K103-T105 VanDerWaalsContact O-N 3.13Å; T105-R107 VanDerWaalsContact C-N 3.27Å; T105-R107 PolarHBondContact O-N 3.38Å
106F62.3Low71.2Confident162 Ų16279.4 Ų79.471%0.71138%0.376SS*.Hα-helixtrans-69.7-20.4-175.9-70.1-82.4000114N104N104-F106 VanDerWaalsContact C-N 3.25Å; N104-F106 PolarHBondContact O-N 3.27Å; N104-F106 PolarHBondContact OD1-N 3.2Å
107R58Low69.1Low160 Ų16086.4 Ų86.460%0.60441%0.41SS*.Hα-helixtrans-99.3-22.3-179.6-74.8-177.5170.9-97.3-1114.4T105 T109 Q110T105-R107 VanDerWaalsContact C-N 3.27Å; T105-R107 PolarHBondContact O-N 3.38Å; R107-T109 VanDerWaalsContact C-N 3.3Å; R107-T109 PolarHBondContact O-N 3.37Å; R107-Q110 PolarHBondContact O-N 2.84Å
108G53.3Low66.9Low36 Ų3694 Ų9437%0.37145%0.445SS..Hα-helixtrans-60.8-38.4177.400000112.9Q110 R111 E112G108-Q110 PolarHBondContact O-N 3.48Å; G108-R111 PolarHBondContact O-N 3.38Å; G108-E112 PolarHBondContact O-N 3Å
109T48.6Very low64.7Low74 Ų7499.9 Ų99.945%0.45448%0.476SS..Hα-helixtrans-65.9-21.2179.8-26.50000113.4R107 K113R107-T109 VanDerWaalsContact C-N 3.3Å; R107-T109 PolarHBondContact O-N 3.37Å; T109-K113 WeakPolarHBondContact O-CD 3.37Å; T109-K113 VanDerWaalsContact O-CG 3.24Å; T109-K113 WeakPolarHBondContact O-CG 3.34Å; T109-K113 PolarHBondContact O-N 3.3Å
110Q47.7Very low62.2Low121 Ų121105.1 Ų105.157%0.56550%0.503SS*.Hα-helixtrans-84.1-35.3177.3-70.4-7433.200112.4R107 G108 T114R107-Q110 PolarHBondContact O-N 2.84Å; G108-Q110 PolarHBondContact O-N 3.48Å; Q110-T114 WeakPolarHBondContact O-CB 3.42Å; Q110-T114 PolarHBondContact O-N 2.69Å; Q110-T114 PolarHBondContact O-OG1 2.66Å
111R48.5Very low59.6Low129 Ų129106.3 Ų106.349%0.48752%0.521SS..Hα-helixtrans-69.1-36.5175.8-89.1-175178.7159.78.1111.9E41 E68 G108 T114 K115E41-R111 IonicContact OE1-NH1 3.05Å; E68-R111 IonicContact OE1-CZ 3.13Å; E68-R111 IonicContact OE1-NH2 2.67Å; E68-R111 PolarHBondContact OE1-NH2 2.79Å; G108-R111 PolarHBondContact O-N 3.38Å; R111-T114 PolarHBondContact O-N 3.3Å; R111-K115 WeakPolarHBondContact O-CB 3.19Å; R111-K115 WeakPolarHBondContact O-CG 3.4Å; R111-K115 PolarHBondContact O-N 2.74Å
112E51.1Low57.1Low141 Ų141112.8 Ų112.866%0.65956%0.561SS**Hα-helixtrans-66.6-45.7174.2-72.7179.2163.100111.9G108 T114 K115 E116G108-E112 PolarHBondContact O-N 3Å; E112-T114 VanDerWaalsContact C-N 3.25Å; E112-T114 PolarHBondContact O-N 2.72Å; E112-K115 PolarHBondContact O-N 3.05Å; E112-E116 WeakPolarHBondContact O-CB 3.27Å; E112-E116 PolarHBondContact O-N 3.2Å
113K47.5Very low54.5Low118 Ų118117.3 Ų117.351%0.51358%0.579SS.*Hα-helixtrans-59.7-34.7173.5-74.8175.8-178.9-179.80113.1T109 M117T109-K113 WeakPolarHBondContact O-CD 3.37Å; T109-K113 VanDerWaalsContact O-CG 3.24Å; T109-K113 WeakPolarHBondContact O-CG 3.34Å; T109-K113 PolarHBondContact O-N 3.3Å; K113-M117 PolarHBondContact O-N 2.99Å
114T46.6Very low52.1Low68 Ų68120.1 Ų120.142%0.41761%0.606SS.*Hα-helixtrans-75.9-36.6178.1-50.50000112Q110 R111 E112 M117 Q118Q110-T114 WeakPolarHBondContact O-CB 3.42Å; Q110-T114 PolarHBondContact O-N 2.69Å; Q110-T114 PolarHBondContact O-OG1 2.66Å; R111-T114 PolarHBondContact O-N 3.3Å; E112-T114 VanDerWaalsContact C-N 3.25Å; E112-T114 PolarHBondContact O-N 2.72Å; T114-M117 PolarHBondContact O-N 3.4Å; T114-Q118 WeakPolarHBondContact O-CG 3.43Å; T114-Q118 PolarHBondContact O-N 3.49Å
115K52.9Low50.4Low143 Ų143126.6 Ų126.662%0.62264%0.641SS**Hα-helixtrans-68.9-34.7172.9-74.8178.4-179.8179.10112R111 E112 Q118 L119R111-K115 WeakPolarHBondContact O-CB 3.19Å; R111-K115 WeakPolarHBondContact O-CG 3.4Å; R111-K115 PolarHBondContact O-N 2.74Å; E112-K115 PolarHBondContact O-N 3.05Å; K115-Q118 PolarHBondContact O-N 3.08Å; K115-L119 PolarHBondContact O-N 3.12Å
116E50.8Low48.6Very low146 Ų146131.1 Ų131.168%0.68266%0.656SS**Hα-helixtrans-68.9-34.7174.2-165173.3-174.500112E112E112-E116 WeakPolarHBondContact O-CB 3.27Å; E112-E116 PolarHBondContact O-N 3.2Å
117M51.3Low47.8Very low152 Ų152128.8 Ų128.875%0.74966%0.657SS**Hα-helixtrans-73.1-27.8172.3-84.8176124.600114.2K113 T114K113-M117 PolarHBondContact O-N 2.99Å; T114-M117 PolarHBondContact O-N 3.4Å
118Q50.1Low47.4Very low158 Ų158132.4 Ų132.474%0.73867%0.671SS**Hα-helixtrans-85.9-9.6178.7-72.9-178.217.300114.1T114 K115T114-Q118 WeakPolarHBondContact O-CG 3.43Å; T114-Q118 PolarHBondContact O-N 3.49Å; K115-Q118 PolarHBondContact O-N 3.08Å
119L49.5Very low46.8Very low142 Ų142135.5 Ų135.574%0.74368%0.684SS**THydrogen-bonded Turntrans-9619.7175.7-82.4164.9000113.4K115 P121K115-L119 PolarHBondContact O-N 3.12Å; L119-P121 VanDerWaalsContact O-CD 3.24Å; L119-P121 WeakPolarHBondContact O-CD 3.4Å
120I46.4Very low47Very low112 Ų112142.2 Ų142.257%0.57471%0.707SS**  trans-95.5102.5165.5-53.5175.7000107.4T122I120-T122 PolarHBondContact O-N 3.06Å
121P40.9Very low47Very low111 Ų111147.1 Ų147.172%0.72172%0.72SS**  trans-63.8131165.8-13.228.4000108.4L119 F123L119-P121 VanDerWaalsContact O-CD 3.24Å; L119-P121 WeakPolarHBondContact O-CD 3.4Å; P121-F123 PolarHBondContact O-N 3.07Å; P121-F123 VanDerWaalsContact O-N 3.16Å
122T42.4Very low47.4Very low137 Ų137146.2 Ų146.284%0.8473%0.734SS**  trans-45.3120.8166.1-51.80000109.7I120 S124I120-T122 PolarHBondContact O-N 3.06Å; T122-S124 PolarHBondContact O-N 3.4Å
123F38.4Very low47.6Very low190 Ų190149.4 Ų149.483%0.83374%0.74SS**  trans-41117.5175.5-72-99000112.3P121P121-F123 PolarHBondContact O-N 3.07Å; P121-F123 VanDerWaalsContact O-N 3.16Å
124S39.2Very low48Very low116 Ų116145.7 Ų145.781%0.81174%0.736SS**  trans-96.6127.3148.7179.20000106.6T122 E126T122-S124 PolarHBondContact O-N 3.4Å; S124-E126 PolarHBondContact O-N 3.39Å
125D53.5Low48.6Very low153 Ų153148.8 Ų148.882%0.81875%0.749SS**  trans-55.1119.3177-71.1-58.1000112.3
126E40.6Very low49.3Very low184 Ų184143.9 Ų143.986%0.8673%0.733SS**  trans177164140.7-148.9106.8-153.100110.4S124S124-E126 PolarHBondContact O-N 3.39Å
127P46.6Very low50.6Low113 Ų113142.4 Ų142.473%0.73474%0.736SS**  -86149.4-114.828-5.6000114.9
128R50.3Low52Low236 Ų236140.9 Ų140.989%0.89173%0.73SS**  trans-45.3129.5178.1-59.2174.8-177.9-176.2-0.7113.1K130R128-K130 PolarHBondContact O-N 2.63Å
129P40.3Very low53.2Low101 Ų101138.4 Ų138.466%0.65672%0.719SS**  trans-70124.8157.829.2-27.9000107.3R131P129-R131 PolarHBondContact O-N 3.25Å
130K53Low54.6Low215 Ų215135.6 Ų135.694%0.93571%0.705SS**  trans-57.985.9167.2-74.7172.5175.5173.80108.5R128 S132R128-K130 PolarHBondContact O-N 2.63Å; K130-S132 PolarHBondContact O-N 3.28Å
131R48.1Very low56.3Low224 Ų224133 Ų13385%0.84570%0.7SS**  trans-71122.8164.1-72.7-174.6176.9158.30.1106.4P129 R133P129-R131 PolarHBondContact O-N 3.25Å; R131-R133 PolarHBondContact O-N 3.26Å
132S55.1Low58.5Low110 Ų110131.9 Ų131.977%0.76969%0.687SS**  trans-41.5123.7177.3530000110.3K130 G134K130-S132 PolarHBondContact O-N 3.28Å; S132-G134 PolarHBondContact O-N 2.91Å
133R55.7Low60.6Low208 Ų208129.8 Ų129.879%0.78567%0.669SS**  trans-47.6133.9149.3-91.5179.5163.3174.7-5.9106.8R131 D135R131-R133 PolarHBondContact O-N 3.26Å; R133-D135 VanDerWaalsContact CB-OD1 3.28Å; R133-D135 WeakPolarHBondContact CB-OD1 3.4Å; R133-D135 PolarHBondContact O-N 3.46Å
134G56.2Low62.8Low41 Ų41127.7 Ų127.742%0.42366%0.66SS.*  trans-63.586.3159.800000107.2S132 S136S132-G134 PolarHBondContact O-N 2.91Å; G134-S136 PolarHBondContact O-N 3.42Å
135D58.6Low65Low132 Ų132130.5 Ų130.571%0.70665%0.653SS**  trans-78.245.2174.7-67-37.7000109.5R133 P137R133-D135 VanDerWaalsContact CB-OD1 3.28Å; R133-D135 WeakPolarHBondContact CB-OD1 3.4Å; R133-D135 PolarHBondContact O-N 3.46Å; D135-P137 WeakPolarHBondContact O-CD 3.39Å
136S68.3Low66.6Low41 Ų41128.7 Ų128.729%0.28764%0.642SS.*  trans-101.1108.9171.1-177.50000108G134 L138 E139 D140G134-S136 PolarHBondContact O-N 3.42Å; S136-L138 PolarHBondContact O-N 3.06Å; S136-E139 PolarHBondContact O-N 2.87Å; S136-D140 PolarHBondContact O-N 3.21Å
137P77.8Confident68.7Low115 Ų115124.8 Ų124.875%0.74763%0.626SS**Hα-helixtrans-54.3-22.9178.2-26.834.7000113.8D135 A141D135-P137 WeakPolarHBondContact O-CD 3.39Å; P137-A141 WeakPolarHBondContact O-CB 3.31Å; P137-A141 PolarHBondContact O-N 2.94Å
138L80.3Confident70.5Confident119 Ų119126.7 Ų126.762%0.62362%0.622SS**Hα-helixtrans-74.8-42.6177.8-17862.4000112.4S136 A141 I142S136-L138 PolarHBondContact O-N 3.06Å; L138-A141 PolarHBondContact O-N 3.07Å; L138-I142 HydrophobicContact CD1-CD1 4.32Å; L138-I142 HydrophobicContact CG-CD1 4.03Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.5Å; L138-I142 PolarHBondContact O-N 3.4Å
139E76.3Confident71.7Confident106 Ų106119 Ų11950%0.49560%0.599SS.*Hα-helixtrans-67.3-43-178.1-67.4177.5-179.300110.6S136 A141 I142 I143S136-E139 PolarHBondContact O-N 2.87Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-A141 PolarHBondContact O-N 3.29Å; E139-I142 PolarHBondContact O-N 3.43Å; E139-I143 VanDerWaalsContact O-CG1 3.3Å; E139-I143 WeakPolarHBondContact O-CG1 3.37Å; E139-I143 PolarHBondContact O-N 3.21Å
140D79.3Confident73.5Confident84 Ų84120.3 Ų120.345%0.44960%0.598SS.*Hα-helixtrans-61.3-36.6174.3-90.51.7000112.6S136 K144S136-D140 PolarHBondContact O-N 3.21Å; D140-K144 VanDerWaalsContact O-CB 3.31Å; D140-K144 WeakPolarHBondContact O-CB 3.28Å; D140-K144 VanDerWaalsContact O-CG 3.28Å; D140-K144 WeakPolarHBondContact O-CG 3.3Å; D140-K144 PolarHBondContact O-N 3.42Å
141A82.1Confident74.5Confident56 Ų56116.4 Ų116.446%0.46358%0.583SS.*Hα-helixtrans-70.1-37.9176.700000112.1P137 L138 E139 R145P137-A141 WeakPolarHBondContact O-CB 3.31Å; P137-A141 PolarHBondContact O-N 2.94Å; L138-A141 PolarHBondContact O-N 3.07Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-A141 PolarHBondContact O-N 3.29Å; A141-R145 WeakPolarHBondContact O-CB 3.49Å; A141-R145 PolarHBondContact O-N 3.06Å
142I86.8Confident75.3Confident89 Ų89108.2 Ų108.246%0.45656%0.563SS.*Hα-helixtrans-64.9-48.1175.4-67.7163000109.9L138 E139 K144 R145 L146L138-I142 HydrophobicContact CD1-CD1 4.32Å; L138-I142 HydrophobicContact CG-CD1 4.03Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.5Å; L138-I142 PolarHBondContact O-N 3.4Å; E139-I142 PolarHBondContact O-N 3.43Å; I142-K144 PolarHBondContact O-N 3.45Å; I142-R145 PolarHBondContact O-N 3.29Å; I142-L146 HydrophobicContact CG2-CD1 4.08Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 3.02Å
143I85.6Confident75.5Confident92 Ų92110 Ų11047%0.47256%0.559SS.*Hα-helixtrans-62.1-45.8179.5-65.5164.9000110.6E139 R145 L146 M147E139-I143 VanDerWaalsContact O-CG1 3.3Å; E139-I143 WeakPolarHBondContact O-CG1 3.37Å; E139-I143 PolarHBondContact O-N 3.21Å; I143-R145 VanDerWaalsContact C-N 3.31Å; I143-R145 PolarHBondContact O-N 3.24Å; I143-L146 PolarHBondContact O-N 3.37Å; I143-M147 HydrophobicContact CG2-SD 4.24Å; I143-M147 WeakPolarHBondContact O-CG 3.19Å; I143-M147 PolarHBondContact O-N 3.48Å
144K84.7Confident75.6Confident146 Ų146105.3 Ų105.364%0.63556%0.558SS**Hα-helixtrans-61.7-36.8177.1-79.6175.8-179.1172.20113.1D140 I142 K148D140-K144 VanDerWaalsContact O-CB 3.31Å; D140-K144 WeakPolarHBondContact O-CB 3.28Å; D140-K144 VanDerWaalsContact O-CG 3.28Å; D140-K144 WeakPolarHBondContact O-CG 3.3Å; D140-K144 PolarHBondContact O-N 3.42Å; I142-K144 PolarHBondContact O-N 3.45Å; K144-K148 WeakPolarHBondContact O-CB 3.24Å; K144-K148 PolarHBondContact O-N 2.93Å; K144-K148 VanDerWaalsContact O-N 3.12Å
145R86.3Confident75.7Confident176 Ų176107.4 Ų107.466%0.66457%0.566SS**Hα-helixtrans-65-47.6176.5-176.7178.31801782111.2A141 I142 I143 M147 K148 D149A141-R145 WeakPolarHBondContact O-CB 3.49Å; A141-R145 PolarHBondContact O-N 3.06Å; I142-R145 PolarHBondContact O-N 3.29Å; I143-R145 VanDerWaalsContact C-N 3.31Å; I143-R145 PolarHBondContact O-N 3.24Å; R145-M147 VanDerWaalsContact C-N 3.33Å; R145-M147 PolarHBondContact O-N 2.98Å; R145-K148 PolarHBondContact O-N 3.35Å; R145-D149 IonicContact NE-OD2 3.96Å; R145-D149 VanDerWaalsContact O-CG 3.27Å; R145-D149 PolarHBondContact O-N 3.46Å
146L87.4Confident75.2Confident114 Ų114108.9 Ų108.960%0.59757%0.567SS**Hα-helixtrans-61.3-41-180-68170.8000112.2I142 I143 M150I142-L146 HydrophobicContact CG2-CD1 4.08Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 3.02Å; I143-L146 PolarHBondContact O-N 3.37Å; L146-M150 PolarHBondContact O-N 3.41Å
147M84.8Confident74.2Confident103 Ų103111.9 Ų111.951%0.50759%0.587SS.*Hα-helixtrans-65.3-41.1176.3-68.2-176.971.900112.2I143 R145 M150 E151I143-M147 HydrophobicContact CG2-SD 4.24Å; I143-M147 WeakPolarHBondContact O-CG 3.19Å; I143-M147 PolarHBondContact O-N 3.48Å; R145-M147 VanDerWaalsContact C-N 3.33Å; R145-M147 PolarHBondContact O-N 2.98Å; M147-M150 PolarHBondContact O-N 3.34Å; M147-E151 PolarHBondContact O-N 3.49Å
148K84.6Confident72.7Confident152 Ų152112.9 Ų112.966%0.66159%0.591SS**Hα-helixtrans-66.4-38.6179.3-173.3177.2-179.6-179.20112.7K144 R145 E151 A152K144-K148 WeakPolarHBondContact O-CB 3.24Å; K144-K148 PolarHBondContact O-N 2.93Å; K144-K148 VanDerWaalsContact O-N 3.12Å; R145-K148 PolarHBondContact O-N 3.35Å; K148-E151 PolarHBondContact O-N 3.28Å; K148-A152 PolarHBondContact O-N 3.25Å; K148-A152 VanDerWaalsContact O-N 3.16Å
149D75.6Confident70.7Confident75 Ų75112.9 Ų112.940%0.40160%0.598SS.*Hα-helixtrans-67.7-38.4179.7-67.1-17.5000110.8R145 A152 E153R145-D149 IonicContact NE-OD2 3.96Å; R145-D149 VanDerWaalsContact O-CG 3.27Å; R145-D149 PolarHBondContact O-N 3.46Å; D149-A152 PolarHBondContact O-N 3.39Å; D149-E153 PolarHBondContact O-N 3.16Å; D149-E153 VanDerWaalsContact O-N 3.15Å
150M77.6Confident68.6Low129 Ų129110.6 Ų110.664%0.63560%0.603SS**Hα-helixtrans-66.9-38.8176.6-173.3171.758.500113.1L146 M147 E153 S154L146-M150 PolarHBondContact O-N 3.41Å; M147-M150 PolarHBondContact O-N 3.34Å; M150-E153 PolarHBondContact O-N 3.39Å; M150-S154 WeakPolarHBondContact O-CB 3.44Å; M150-S154 PolarHBondContact O-N 3.25Å
151E72.9Confident66.6Low133 Ų133113.2 Ų113.262%0.62162%0.622SS**Hα-helixtrans-68.5-33.7175.7-73.3177.3-179.500112.6M147 K148 S155M147-E151 PolarHBondContact O-N 3.49Å; K148-E151 PolarHBondContact O-N 3.28Å; E151-S155 PolarHBondContact O-N 3.01Å; E151-S155 PolarHBondContact O-OG 3.28Å
152A65.8Low64.4Low52 Ų52117.6 Ų117.643%0.4364%0.643SS.*Hα-helixtrans-73.6-25.7177.200000113.4K148 D149K148-A152 PolarHBondContact O-N 3.25Å; K148-A152 VanDerWaalsContact O-N 3.16Å; D149-A152 PolarHBondContact O-N 3.39Å
153E58.3Low62.1Low148 Ų148120.3 Ų120.369%0.69266%0.658SS**Hα-helixtrans-84.1-34.6172.7-70.7-173.9171.200112.1D149 M150 S155 K156D149-E153 PolarHBondContact O-N 3.16Å; D149-E153 VanDerWaalsContact O-N 3.15Å; M150-E153 PolarHBondContact O-N 3.39Å; E153-S155 PolarHBondContact O-N 3.2Å; E153-K156 PolarHBondContact O-N 3.36Å
154S59Low60Low108 Ų108124.1 Ų124.176%0.75568%0.679SS**Hα-helixtrans-67.7-17.8176.4-177.50000113.8M150M150-S154 WeakPolarHBondContact O-CB 3.44Å; M150-S154 PolarHBondContact O-N 3.25Å
155S58.7Low57.6Low85 Ų85124.1 Ų124.159%0.59468%0.681SS**THydrogen-bonded Turntrans-101.61.5-177.646.60000114.1E151 E153 S157E151-S155 PolarHBondContact O-N 3.01Å; E151-S155 PolarHBondContact O-OG 3.28Å; E153-S155 PolarHBondContact O-N 3.2Å; S155-S157 VanDerWaalsContact C-N 3.31Å; S155-S157 PolarHBondContact O-N 3.37Å
156K47.4Very low55Low164 Ų164122.5 Ų122.571%0.71368%0.681SS**  trans-80.282169.5-75.7175.8-175.2167.80110.2E153 V158E153-K156 PolarHBondContact O-N 3.36Å; K156-V158 PolarHBondContact O-N 3.38Å
157S46.4Very low52.5Low103 Ų103125 Ų12572%0.7269%0.689SS**  trans-60.9119.5156.248.40000108.7S155 P159S155-S157 VanDerWaalsContact C-N 3.31Å; S155-S157 PolarHBondContact O-N 3.37Å; S157-P159 VanDerWaalsContact O-CD 3.32Å; S157-P159 WeakPolarHBondContact O-CD 3.27Å
158V47.8Very low50Low137 Ų137128.1 Ų128.183%0.8370%0.702SS**  trans-75.7115.8164.1174.50000106.7K156 G160K156-V158 PolarHBondContact O-N 3.38Å; V158-G160 PolarHBondContact O-N 3.09Å
159P36.5Very low47.4Very low119 Ų119126.8 Ų126.877%0.77371%0.707SS**  trans-80.6118.7174.2-422.8000109.7S157S157-P159 VanDerWaalsContact O-CD 3.32Å; S157-P159 WeakPolarHBondContact O-CD 3.27Å
160G34.2Very low45.3Very low57 Ų57128.1 Ų128.159%0.58872%0.718SS**  trans44.6119.413800000120V158V158-G160 PolarHBondContact O-N 3.09Å
161T36.8Very low43.3Very low139 Ų139131.6 Ų131.685%0.85373%0.729SS**  83.4114.5104.443.10000115.6
162V34.9Very low41.4Very low149 Ų149133.1 Ų133.190%0.90374%0.736SS**  -150.8131.2117.2-151.50000110.2
163D38.9Very low40Very low145 Ų145135.5 Ų135.578%0.77576%0.756SS**  trans-44145.2159.7-97.7-46000113.9
164L42.3Very low38.9Very low173 Ų173133.4 Ų133.491%0.90675%0.753SS**  trans-157.8108.8130-142.571.9000113.1
165E33.3Very low37.7Very low146 Ų146136.1 Ų136.168%0.68275%0.754SS**  trans-31159.1152-124.2178.815400118.9
166H33Very low36.3Very low142 Ų142138.7 Ų138.766%0.65776%0.761SS**  trans72.9137160.1-67.395.7000117.5
167Q33.4Very low36.1Very low166 Ų166136.4 Ų136.478%0.77677%0.766SS**  cis-168.815030.4-130.1164.36900111.1
168H32.4Very low35.4Very low168 Ų168135.8 Ų135.878%0.77877%0.767SS**  trans-53.9142.5159.8-99.4-115.8000111.8
169T30.3Very low34.6Very low125 Ų125135.4 Ų135.477%0.76777%0.765SS**  trans-150.6110.5139.8-31.20000111.7
170V31.9Very low34.5Very low103 Ų103135.4 Ų135.462%0.62476%0.763SS**  trans-63.2136.9159.1169.60000108.7E172V170-E172 HydrophobicContact CG1-CG 4.32Å
171K35.6Very low34.4Very low202 Ų202141.2 Ų141.288%0.87878%0.775SS**  trans-128.797.4152.7-79.3-169.1176.8-179.20109.3
172E32.9Very low34.6Very low165 Ų165142.1 Ų142.177%0.77177%0.769SS**  trans-61.9138.6147-75.5176.9130.900109.2V170V170-E172 HydrophobicContact CG1-CG 4.32Å
173A35.9Very low35.1Very low102 Ų102140 Ų14084%0.84376%0.759SS**  trans-136.8100.5148.600000107
174V34.8Very low34.9Very low104 Ų104140.5 Ų140.563%0.6376%0.756SS**  trans-54138.5157.7171.80000108.7
175Q35.1Very low34.3Very low165 Ų165139.3 Ų139.377%0.77175%0.748SS**  169.8117.9103.7-147147.415.400112.9
176D29.3Very low34.3Very low139 Ų139138.8 Ų138.874%0.74376%0.755SS**  trans26.4129.7136-59.2-32.2000121.4
177S41.7Very low34.2Very low116 Ų116139.6 Ų139.681%0.81176%0.759SS**  -171.1128.1100.658.40000111.9
178A31.6Very low34Very low90 Ų90141.6 Ų141.674%0.74477%0.765SS**  trans-70.9162.8165.400000112.1
179T32.8Very low33.8Very low128 Ų128139.9 Ų139.979%0.78577%0.767SS**  trans162.1101.7138.2-57.20000106.5
180T34Very low33.8Very low120 Ų120137.8 Ų137.874%0.73676%0.763SS**  54.8123.396-44.30000114
181E32.3Very low33.8Very low179 Ų179141.2 Ų141.284%0.83677%0.772SS**  trans155.4102133.1-68.6-114.4144.100110.3
182E39.8Very low33.7Very low157 Ų157139.9 Ų139.973%0.73477%0.766SS**  trans-73.1157.7141.5-131.3-155.512300107
183P44.8Very low33.6Very low105 Ų105138.2 Ų138.268%0.68276%0.762SS**  -152.7159.258.735.2-11.7000118.4
184Q35.1Very low33.4Very low155 Ų155140 Ų14072%0.72476%0.763SS**  trans55.6140.8135.6-65.1-171.5-8.500126.1
185M30.8Very low33.7Very low149 Ų149141.5 Ų141.573%0.73477%0.772SS**  trans66.6117.8139.6-96.9-176.6155.100120.8
186T32Very low33.9Very low135 Ų135138.8 Ų138.883%0.82877%0.769SS**  -160.4132115.710000112.5
187Q32Very low34Very low159 Ų159141 Ų14174%0.74378%0.775SS**  trans-71.5147.2164.5-67.4166.2-44.800110.2
188F29.1Very low33.9Very low207 Ų207145 Ų14591%0.90878%0.778SS**  trans-141.7126.2144.5-94.9-78.3000110.2
189T28.3Very low34.5Very low132 Ų132146.1 Ų146.181%0.8178%0.778SS**  trans-92163.2176.20.90000111.2
190A31Very low34.4Very low82 Ų82144 Ų14468%0.67878%0.782SS**  trans97.2109.414600000120.2
191E29.9Very low34.6Very low175 Ų175145 Ų14582%0.81878%0.781SS**  55.5124.7122.1-59.9-172.9168.200120.8
192K34.3Very low34.7Very low173 Ų173145 Ų14575%0.75279%0.785SS**  174.2127.894.5-117.3169.5179.71690112.9
193N31.3Very low34.5Very low130 Ų130145.8 Ų145.870%0.69579%0.786SS**  trans27.8125135.2-52.8-21.2000119.7
194T32.3Very low34Very low141 Ų141148.6 Ų148.687%0.86579%0.79SS**  166.8125.5100.333.70000112.1
195T39.9Very low33.8Very low134 Ų134149.8 Ų149.882%0.82280%0.801SS**  trans-77.4155.2153.330.80000110.1
196P40.1Very low33.9Very low108 Ų108149.1 Ų149.170%0.70180%0.799SS**  -143.7156.5111.926-5.1000116.2
197E30.9Very low33.9Very low187 Ų187153.8 Ų153.887%0.87480%0.801SS**  trans76.2109.6141.2-70.8172.4-173.600122.6
198K39.8Very low33.9Very low199 Ų199151.7 Ų151.787%0.86580%0.801SS**  trans-84.1177.5144.4-67.7-179.4176176.10108.5
199P42.8Very low33.9Very low114 Ų114152 Ų15274%0.7480%0.796SS**  cis-137.4149.12.832.5-11.1000115.8
200G31.8Very low34.1Very low84 Ų84152.3 Ų152.387%0.86680%0.799SS**  trans-107.1108.8165.800000111.6
201I38.7Very low34.2Very low141 Ų141153.8 Ų153.872%0.72380%0.795SS**  trans-79.5125.2172.6-67.2164.1000108.4K203I201-K203 HydrophobicContact CG2-CG 4.36Å
202L33.1Very low34.2Very low177 Ų177153.5 Ų153.593%0.92780%0.799SS**  trans-128.8125.2156.9-125.9110.5000110.5
203K36.4Very low34Very low175 Ų175151.3 Ų151.376%0.76180%0.804SS**  trans-81.8138.2-175.8-69.2174.8175176.80110.9I201I201-K203 HydrophobicContact CG2-CG 4.36Å
204Q33.2Very low34Very low163 Ų163149.7 Ų149.776%0.76281%0.809SS**  trans44.1123.1137.7-61-1733.800120.5
205L31.8Very low33.9Very low180 Ų180151.8 Ų151.894%0.94281%0.809SS**  trans-139.9105.2132.7-104.2150.4000108.7
206I33.4Very low33.3Very low135 Ų135149.9 Ų149.969%0.69280%0.801SS**  trans-90.1134.1167.4-67169.8000107.3
207R31Very low32.9Very low234 Ų234151.5 Ų151.588%0.88381%0.809SS**  trans-172.8160.8146-109.3178.6-150.8-154.29.5110.9
208P33.1Very low32.8Very low115 Ų115153.7 Ų153.775%0.74781%0.809SS**  -113163.3-98.436.5-25.2000115.1
209R29.2Very low32.3Very low212 Ų212146.4 Ų146.480%0.879%0.791SS**  trans-41.1127.3164.8-164.7-179.6-168.2161.27.1114.1N211R209-N211 PolarHBondContact NE-OD1 3.37Å; R209-N211 VanDerWaalsContact NE-OD1 3.09Å
210T32.8Very low31.7Very low140 Ų140146 Ų14686%0.85979%0.786SS**  trans-121.8121.7143.148.50000108.6
211N32Very low31.9Very low112 Ų112148.3 Ų148.360%0.59977%0.773SS**  trans-68.5139.5177.5-61.2-43.5000109.2R209R209-N211 PolarHBondContact NE-OD1 3.37Å; R209-N211 VanDerWaalsContact NE-OD1 3.09Å
212N30.3Very low31.7Very low170 Ų170149.3 Ų149.391%0.90977%0.769SS**  trans-141104.5139.4-93.1-24.8000108.3
213C30.7Very low31.8Very low126 Ų126145.2 Ų145.285%0.85175%0.747SS**  trans-77.8111.9172.5-176.20000107.2
214A29.9Very low31.7Very low97 Ų97141 Ų14180%0.80274%0.739SS**  trans-123.1104.8163.600000107.7S216A214-S216 PolarHBondContact O-N 3.02Å
215Q30.4Very low31.9Very low185 Ų185136.8 Ų136.886%0.86472%0.724SS**  trans-17.1107.3170.9-65.2165.7-13.900115.8
216S28.1Very low32Very low93 Ų93134.8 Ų134.865%0.6572%0.722SS**  trans-85.3112.6156.561.10000108.7A214 W218A214-S216 PolarHBondContact O-N 3.02Å; S216-W218 VanDerWaalsContact O-CD1 3.28Å; S216-W218 PolarHBondContact O-N 2.96Å
217T32.3Very low32.1Very low142 Ų142132 Ų13287%0.87172%0.72SS**  trans-61.4126.5170.728.20000110.3G219T217-G219 PolarHBondContact O-N 2.93Å
218W28.7Very low32.2Very low233 Ų233123.8 Ų123.888%0.88371%0.707SS**  trans-79.2102.4-177.8-69.971.4000110.1S216 T220S216-W218 VanDerWaalsContact O-CD1 3.28Å; S216-W218 PolarHBondContact O-N 2.96Å; W218-T220 PolarHBondContact O-N 2.81Å
219G27.7Very low32.2Very low47 Ų47129.9 Ų129.949%0.48572%0.716SS.*  trans-79.4111169.400000111.5T217 R234T217-G219 PolarHBondContact O-N 2.93Å; G219-R234 PolarHBondContact O-NH2 3.35Å
220T31Very low32.6Very low104 Ų104124.8 Ų124.864%0.63870%0.701SS**  trans-77.4119.1169-56.70000108.6W218 Y222W218-T220 PolarHBondContact O-N 2.81Å; T220-Y222 HydrophobicContact CG2-CD2 4.14Å; T220-Y222 HydrophobicContact CG2-CE1 4.43Å; T220-Y222 HydrophobicContact CG2-CE2 3.51Å
221F36.9Very low32.6Very low133 Ų133127.8 Ų127.858%0.58370%0.702SS**  trans-87.6123.5177.3-80.1-92.6000110.1
222Y33.4Very low33.3Very low163 Ų163128.3 Ų128.364%0.63970%0.695SS**  trans-111.1114.9170.8-68.7-81.7000109.6T220T220-Y222 HydrophobicContact CG2-CD2 4.14Å; T220-Y222 HydrophobicContact CG2-CE1 4.43Å; T220-Y222 HydrophobicContact CG2-CE2 3.51Å
223L36.3Very low33.5Very low90 Ų90129.1 Ų129.147%0.47169%0.694SS.*  trans-85.2133.4162.2-86160.4000108.9F15 W232F15-L223 HydrophobicContact CB-CD1 4.32Å; F15-L223 HydrophobicContact CB-CD2 4.17Å; F15-L223 WeakPolarHBondContact O-CD2 3.43Å; L223-W232 HydrophobicContact CD1-CZ2 4.36Å
224C33Very low33.8Very low86 Ų86132 Ų13258%0.58169%0.687SS**  trans-93.2101.6-178.4-151.20000109.5R4R4-C224 VanDerWaalsContact NH2-CB 3.34Å; R4-C224 PolarHBondContact NH2-SG 3.43Å
225T37.6Very low34.2Very low75 Ų75133.6 Ų133.646%0.4669%0.687SS.*  trans-92.2144.215237.50000108.3A227T225-A227 WeakPolarHBondContact CB-O 3.28Å; T225-A227 PolarHBondContact O-N 3.26Å; T225-A227 PolarHBondContact OG1-O 3.38Å
226P33.9Very low34.4Very low138 Ų138129.1 Ų129.190%0.89668%0.675SS**SBendtrans-65.3-2.6173.925-31.5000113.3
227A35.2Very low34.9Very low78 Ų78135.3 Ų135.365%0.64569%0.686SS**SBendtrans-133.3121.2171.400000110.3T225T225-A227 WeakPolarHBondContact CB-O 3.28Å; T225-A227 PolarHBondContact O-N 3.26Å; T225-A227 PolarHBondContact OG1-O 3.38Å
228G33.2Very low34.9Very low60 Ų60135.3 Ų135.362%0.61968%0.68SS**  trans84120159.300000116.8E230G228-E230 PolarHBondContact O-N 2.75Å
229R32.9Very low35.3Very low244 Ų244133 Ų13392%0.92168%0.679SS**  trans-68.9102.6165.6-77.6-179.5-110.9-146-4.4109.3
230E39.1Very low35.5Very low104 Ų104134.8 Ų134.849%0.48669%0.69SS.*  trans-95.3121.5168-77.6174.5-175.300109.8K88 G228 W232K88-E230 IonicContact NZ-OE1 2.82Å; K88-E230 PolarHBondContact NZ-OE1 2.93Å; K88-E230 IonicContact NZ-OE2 2.85Å; K88-E230 PolarHBondContact NZ-OE2 3.19Å; G228-E230 PolarHBondContact O-N 2.75Å; E230-W232 VanDerWaalsContact O-CD1 3.32Å
231K32.8Very low35.7Very low204 Ų204144.7 Ų144.789%0.88772%0.717SS**  trans-81.8111.9179.8-164.5178.1-173179.70108.2Q233K231-Q233 PolarHBondContact O-N 3.42Å
232W45.9Very low35.6Very low122 Ų122145.3 Ų145.346%0.46272%0.724SS.*  trans-81.5114178.8-66.380.8000110.4H85 L223 E230H85-W232 AromaticContact CD2-CH2 3.93Å; H85-W232 AromaticContact CD2-CZ3 3.43Å; H85-W232 VanDerWaalsContact CD2-CZ3 3.43Å; H85-W232 WeakPolarHBondContact CD2-CZ3 3.41Å; H85-W232 AromaticContact NE2-CH2 3.82Å; H85-W232 AromaticContact NE2-CZ3 3.53Å; L223-W232 HydrophobicContact CD1-CZ2 4.36Å; E230-W232 VanDerWaalsContact O-CD1 3.32Å
233Q34.1Very low35.8Very low188 Ų188144.3 Ų144.388%0.87973%0.729SS**  trans-82.4120.7164.9-80.8-178.8-48.100109.1K231K231-Q233 PolarHBondContact O-N 3.42Å
234R37.1Very low35.7Very low185 Ų185147.3 Ų147.370%0.69874%0.743SS**  trans-72.2126173.2-81.5-178.7-157.8-174.77.2110.3G219G219-R234 PolarHBondContact O-NH2 3.35Å
235T39.2Very low35.9Very low132 Ų132150.9 Ų150.981%0.8175%0.752SS**  trans-138.177.4151.744.90000109.7
236C34.7Very low35.8Very low91 Ų91155.7 Ų155.762%0.61577%0.771SS**  trans-154.4120.5158.8-83.30000108.1
237Y37.5Very low35.9Very low223 Ų223156.9 Ų156.988%0.87576%0.762SS**  trans-93.9153.2-179.3-101-89.5000112.5
238D32.6Very low36Very low142 Ų142162.5 Ų162.576%0.75977%0.771SS**  trans28.5125.9157.6-71.9-27.7000122.6
239E36.5Very low36.2Very low183 Ų183170.4 Ų170.486%0.85578%0.782SS**  trans-129.1107.5136.6-85.5-174.9164.500108.8
240A33.4Very low36.5Very low85 Ų85164.3 Ų164.370%0.70277%0.771SS**  trans-77.3123.6153.500000107.8
241Y34.6Very low36.2Very low312 Ų312169.7 Ų169.7100%1.22480%0.797SS**  trans1750143.8-92.5-68.2000108.3

Retrieved 241 of 241 residues in 551.8 ms (Link to these results)